USER MOD reduce.3.24.130724 H: found=0, std=0, add=1432, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= -9.55! C(o=-16!,f=-14!) USER MOD Set 1.2: B 70 SER OG : rot -139:sc= -6.13! USER MOD Set 2.1: A 70 SER OG : rot -16:sc= -5.76! USER MOD Set 2.2: B 51 ASN : amide:sc= -9.44! C(o=-15!,f=-15!) USER MOD Single : A 6 ASN : amide:sc= -4.25! C(o=-4.3!,f=-9.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.963! USER MOD Single : A 14 LYS NZ :NH3+ -160:sc=-0.00841 (180deg=-0.115) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.913 X(o=-0.91,f=-1.1) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.921 K(o=-0.92,f=-0.032) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 44 SER OG : rot -136:sc= 0.069 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00269 USER MOD Single : A 52 SER OG : rot 113:sc= -0.791 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.234 K(o=0.23,f=-6.6!) USER MOD Single : A 65 ASN : amide:sc= -0.0322 X(o=-0.032,f=-0.19) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 68 THR OG1 : rot 93:sc= 0.256 USER MOD Single : A 79 SER OG : rot -50:sc= -0.563 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 ASN : amide:sc= -3.83! C(o=-3.8!,f=-8.8!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -166:sc= -0.446 (180deg=-1.02!) USER MOD Single : B 15 ASN : amide:sc= -1.79! C(o=-1.8!,f=-0.14!) USER MOD Single : B 19 HIS : no HD1:sc= -0.818 X(o=-0.82,f=-0.83) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.19) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.468 USER MOD Single : B 44 SER OG : rot -115:sc= 0.0914 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 155:sc= 0.199 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 GLN : amide:sc= 0.291 K(o=0.29,f=-8.8!) USER MOD Single : B 65 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.64) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 THR OG1 : rot 91:sc= -0.101 USER MOD Single : B 79 SER OG : rot -140:sc= -0.596 USER MOD Single : B 80 TYR OH : rot 180:sc=-0.00447 USER MOD Single : B 86 LYS NZ :NH3+ -166:sc= -0.442 (180deg=-1.07) USER MOD Single : B 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N ASN A 6 15.257 0.074 -10.628 1.00 0.26 N ATOM 91 CA ASN A 6 15.576 -0.948 -9.608 1.00 0.26 C ATOM 92 C ASN A 6 14.307 -1.678 -9.161 1.00 0.24 C ATOM 93 O ASN A 6 13.613 -1.224 -8.272 1.00 0.26 O ATOM 94 CB ASN A 6 16.250 -0.292 -8.394 1.00 0.35 C ATOM 95 CG ASN A 6 17.509 -1.080 -8.027 1.00 0.93 C ATOM 96 OD1 ASN A 6 17.552 -1.736 -7.005 1.00 1.72 O ATOM 97 ND2 ASN A 6 18.542 -1.044 -8.823 1.00 1.39 N ATOM 0 HA ASN A 6 16.260 -1.672 -10.051 1.00 0.26 H new ATOM 0 HB2 ASN A 6 16.508 0.742 -8.622 1.00 0.35 H new ATOM 0 HB3 ASN A 6 15.562 -0.270 -7.549 1.00 0.35 H new ATOM 0 HD21 ASN A 6 19.386 -1.567 -8.588 1.00 1.39 H new ATOM 0 HD22 ASN A 6 18.506 -0.493 -9.681 1.00 1.39 H new ATOM 104 N GLU A 7 13.971 -2.792 -9.747 1.00 0.25 N ATOM 105 CA GLU A 7 12.733 -3.489 -9.302 1.00 0.28 C ATOM 106 C GLU A 7 13.102 -4.444 -8.175 1.00 0.28 C ATOM 107 O GLU A 7 13.824 -5.401 -8.375 1.00 0.30 O ATOM 108 CB GLU A 7 12.143 -4.277 -10.469 1.00 0.35 C ATOM 109 CG GLU A 7 13.146 -5.336 -10.918 1.00 0.44 C ATOM 110 CD GLU A 7 13.022 -5.555 -12.427 1.00 0.75 C ATOM 111 OE1 GLU A 7 13.076 -4.576 -13.154 1.00 1.44 O ATOM 112 OE2 GLU A 7 12.875 -6.697 -12.831 1.00 1.12 O ATOM 0 H GLU A 7 14.489 -3.244 -10.501 1.00 0.25 H new ATOM 0 HA GLU A 7 11.996 -2.765 -8.955 1.00 0.28 H new ATOM 0 HB2 GLU A 7 11.208 -4.749 -10.169 1.00 0.35 H new ATOM 0 HB3 GLU A 7 11.910 -3.606 -11.296 1.00 0.35 H new ATOM 0 HG2 GLU A 7 14.159 -5.021 -10.668 1.00 0.44 H new ATOM 0 HG3 GLU A 7 12.964 -6.271 -10.389 1.00 0.44 H new ATOM 119 N ILE A 8 12.643 -4.161 -6.979 1.00 0.28 N ATOM 120 CA ILE A 8 13.010 -5.036 -5.813 1.00 0.31 C ATOM 121 C ILE A 8 11.779 -5.487 -5.017 1.00 0.28 C ATOM 122 O ILE A 8 10.786 -4.800 -4.920 1.00 0.28 O ATOM 123 CB ILE A 8 13.942 -4.265 -4.879 1.00 0.35 C ATOM 124 CG1 ILE A 8 14.947 -3.466 -5.705 1.00 0.42 C ATOM 125 CG2 ILE A 8 14.693 -5.249 -3.979 1.00 0.56 C ATOM 126 CD1 ILE A 8 15.953 -2.795 -4.768 1.00 1.11 C ATOM 0 H ILE A 8 12.036 -3.371 -6.758 1.00 0.28 H new ATOM 0 HA ILE A 8 13.500 -5.925 -6.211 1.00 0.31 H new ATOM 0 HB ILE A 8 13.354 -3.584 -4.264 1.00 0.35 H new ATOM 0 HG12 ILE A 8 15.465 -4.123 -6.403 1.00 0.42 H new ATOM 0 HG13 ILE A 8 14.429 -2.714 -6.300 1.00 0.42 H new ATOM 0 HG21 ILE A 8 15.358 -4.699 -3.313 1.00 0.56 H new ATOM 0 HG22 ILE A 8 13.977 -5.820 -3.387 1.00 0.56 H new ATOM 0 HG23 ILE A 8 15.280 -5.931 -4.595 1.00 0.56 H new ATOM 0 HD11 ILE A 8 16.672 -2.224 -5.355 1.00 1.11 H new ATOM 0 HD12 ILE A 8 15.426 -2.126 -4.088 1.00 1.11 H new ATOM 0 HD13 ILE A 8 16.478 -3.557 -4.192 1.00 1.11 H new ATOM 138 N VAL A 9 11.857 -6.673 -4.473 1.00 0.28 N ATOM 139 CA VAL A 9 10.723 -7.242 -3.687 1.00 0.27 C ATOM 140 C VAL A 9 11.111 -7.371 -2.208 1.00 0.24 C ATOM 141 O VAL A 9 12.148 -7.903 -1.866 1.00 0.25 O ATOM 142 CB VAL A 9 10.385 -8.632 -4.235 1.00 0.30 C ATOM 143 CG1 VAL A 9 9.221 -9.235 -3.446 1.00 1.35 C ATOM 144 CG2 VAL A 9 9.995 -8.529 -5.712 1.00 1.27 C ATOM 0 H VAL A 9 12.673 -7.281 -4.542 1.00 0.28 H new ATOM 0 HA VAL A 9 9.862 -6.579 -3.773 1.00 0.27 H new ATOM 0 HB VAL A 9 11.261 -9.272 -4.134 1.00 0.30 H new ATOM 0 HG11 VAL A 9 8.987 -10.223 -3.842 1.00 1.35 H new ATOM 0 HG12 VAL A 9 9.499 -9.321 -2.396 1.00 1.35 H new ATOM 0 HG13 VAL A 9 8.347 -8.591 -3.538 1.00 1.35 H new ATOM 0 HG21 VAL A 9 9.756 -9.521 -6.095 1.00 1.27 H new ATOM 0 HG22 VAL A 9 9.124 -7.881 -5.814 1.00 1.27 H new ATOM 0 HG23 VAL A 9 10.827 -8.111 -6.280 1.00 1.27 H new ATOM 154 N VAL A 10 10.281 -6.870 -1.338 1.00 0.23 N ATOM 155 CA VAL A 10 10.595 -6.943 0.120 1.00 0.22 C ATOM 156 C VAL A 10 10.062 -8.271 0.653 1.00 0.20 C ATOM 157 O VAL A 10 9.329 -8.962 -0.027 1.00 0.20 O ATOM 158 CB VAL A 10 9.922 -5.775 0.860 1.00 0.23 C ATOM 159 CG1 VAL A 10 8.472 -6.142 1.181 1.00 0.33 C ATOM 160 CG2 VAL A 10 10.661 -5.489 2.172 1.00 0.39 C ATOM 0 H VAL A 10 9.399 -6.413 -1.570 1.00 0.23 H new ATOM 0 HA VAL A 10 11.671 -6.877 0.278 1.00 0.22 H new ATOM 0 HB VAL A 10 9.953 -4.890 0.224 1.00 0.23 H new ATOM 0 HG11 VAL A 10 7.995 -5.314 1.706 1.00 0.33 H new ATOM 0 HG12 VAL A 10 7.934 -6.343 0.255 1.00 0.33 H new ATOM 0 HG13 VAL A 10 8.453 -7.031 1.812 1.00 0.33 H new ATOM 0 HG21 VAL A 10 10.177 -4.660 2.689 1.00 0.39 H new ATOM 0 HG22 VAL A 10 10.635 -6.376 2.805 1.00 0.39 H new ATOM 0 HG23 VAL A 10 11.697 -5.227 1.956 1.00 0.39 H new ATOM 170 N ARG A 11 10.439 -8.649 1.851 1.00 0.20 N ATOM 171 CA ARG A 11 9.965 -9.952 2.405 1.00 0.19 C ATOM 172 C ARG A 11 9.512 -9.770 3.849 1.00 0.22 C ATOM 173 O ARG A 11 9.775 -8.765 4.479 1.00 0.22 O ATOM 174 CB ARG A 11 11.092 -10.997 2.397 1.00 0.20 C ATOM 175 CG ARG A 11 12.314 -10.506 1.612 1.00 0.30 C ATOM 176 CD ARG A 11 13.164 -11.711 1.204 1.00 0.34 C ATOM 177 NE ARG A 11 14.343 -11.246 0.420 1.00 1.17 N ATOM 178 CZ ARG A 11 15.042 -12.102 -0.277 1.00 1.42 C ATOM 179 NH1 ARG A 11 14.701 -13.361 -0.296 1.00 1.51 N ATOM 180 NH2 ARG A 11 16.081 -11.697 -0.953 1.00 2.27 N ATOM 0 H ARG A 11 11.052 -8.113 2.465 1.00 0.20 H new ATOM 0 HA ARG A 11 9.140 -10.294 1.780 1.00 0.19 H new ATOM 0 HB2 ARG A 11 11.385 -11.224 3.422 1.00 0.20 H new ATOM 0 HB3 ARG A 11 10.725 -11.924 1.957 1.00 0.20 H new ATOM 0 HG2 ARG A 11 11.996 -9.954 0.728 1.00 0.30 H new ATOM 0 HG3 ARG A 11 12.902 -9.820 2.222 1.00 0.30 H new ATOM 0 HD2 ARG A 11 13.494 -12.253 2.090 1.00 0.34 H new ATOM 0 HD3 ARG A 11 12.569 -12.404 0.609 1.00 0.34 H new ATOM 0 HE ARG A 11 14.604 -10.260 0.428 1.00 1.17 H new ATOM 0 HH11 ARG A 11 13.889 -13.677 0.233 1.00 1.51 H new ATOM 0 HH12 ARG A 11 15.247 -14.029 -0.840 1.00 1.51 H new ATOM 0 HH21 ARG A 11 16.348 -10.713 -0.937 1.00 2.27 H new ATOM 0 HH22 ARG A 11 16.627 -12.365 -1.497 1.00 2.27 H new ATOM 194 N LYS A 12 8.852 -10.757 4.378 1.00 0.27 N ATOM 195 CA LYS A 12 8.393 -10.682 5.787 1.00 0.32 C ATOM 196 C LYS A 12 9.513 -11.172 6.681 1.00 0.35 C ATOM 197 O LYS A 12 9.562 -10.868 7.857 1.00 0.43 O ATOM 198 CB LYS A 12 7.181 -11.582 5.995 1.00 0.35 C ATOM 199 CG LYS A 12 7.514 -13.013 5.553 1.00 0.38 C ATOM 200 CD LYS A 12 7.778 -13.891 6.779 1.00 1.05 C ATOM 201 CE LYS A 12 6.449 -14.287 7.422 1.00 1.03 C ATOM 202 NZ LYS A 12 6.602 -14.312 8.905 1.00 1.78 N ATOM 0 H LYS A 12 8.609 -11.619 3.890 1.00 0.27 H new ATOM 0 HA LYS A 12 8.123 -9.653 6.025 1.00 0.32 H new ATOM 0 HB2 LYS A 12 6.887 -11.575 7.045 1.00 0.35 H new ATOM 0 HB3 LYS A 12 6.333 -11.203 5.424 1.00 0.35 H new ATOM 0 HG2 LYS A 12 6.689 -13.424 4.972 1.00 0.38 H new ATOM 0 HG3 LYS A 12 8.390 -13.008 4.904 1.00 0.38 H new ATOM 0 HD2 LYS A 12 8.333 -14.783 6.487 1.00 1.05 H new ATOM 0 HD3 LYS A 12 8.395 -13.353 7.498 1.00 1.05 H new ATOM 0 HE2 LYS A 12 5.670 -13.579 7.138 1.00 1.03 H new ATOM 0 HE3 LYS A 12 6.136 -15.267 7.061 1.00 1.03 H new ATOM 0 HZ1 LYS A 12 5.698 -14.581 9.343 1.00 1.78 H new ATOM 0 HZ2 LYS A 12 7.333 -15.004 9.167 1.00 1.78 H new ATOM 0 HZ3 LYS A 12 6.882 -13.368 9.241 1.00 1.78 H new ATOM 216 N THR A 13 10.428 -11.919 6.137 1.00 0.34 N ATOM 217 CA THR A 13 11.545 -12.400 6.972 1.00 0.44 C ATOM 218 C THR A 13 12.398 -11.186 7.305 1.00 0.58 C ATOM 219 O THR A 13 12.524 -10.796 8.448 1.00 1.08 O ATOM 220 CB THR A 13 12.370 -13.448 6.208 1.00 0.48 C ATOM 221 OG1 THR A 13 13.539 -12.843 5.675 1.00 1.24 O ATOM 222 CG2 THR A 13 11.535 -14.036 5.068 1.00 1.01 C ATOM 0 H THR A 13 10.447 -12.212 5.160 1.00 0.34 H new ATOM 0 HA THR A 13 11.178 -12.877 7.881 1.00 0.44 H new ATOM 0 HB THR A 13 12.655 -14.245 6.894 1.00 0.48 H new ATOM 0 HG1 THR A 13 14.063 -13.515 5.190 1.00 1.24 H new ATOM 0 HG21 THR A 13 12.125 -14.778 4.530 1.00 1.01 H new ATOM 0 HG22 THR A 13 10.642 -14.509 5.477 1.00 1.01 H new ATOM 0 HG23 THR A 13 11.242 -13.240 4.383 1.00 1.01 H new ATOM 230 N LYS A 14 13.009 -10.596 6.316 1.00 0.35 N ATOM 231 CA LYS A 14 13.878 -9.423 6.559 1.00 0.43 C ATOM 232 C LYS A 14 13.087 -8.308 7.233 1.00 0.57 C ATOM 233 O LYS A 14 11.919 -8.097 6.977 1.00 1.34 O ATOM 234 CB LYS A 14 14.387 -8.937 5.203 1.00 0.39 C ATOM 235 CG LYS A 14 15.822 -9.422 4.992 1.00 0.60 C ATOM 236 CD LYS A 14 16.171 -9.396 3.501 1.00 0.86 C ATOM 237 CE LYS A 14 16.185 -10.824 2.955 1.00 1.06 C ATOM 238 NZ LYS A 14 17.401 -11.530 3.446 1.00 1.41 N ATOM 0 H LYS A 14 12.939 -10.884 5.340 1.00 0.35 H new ATOM 0 HA LYS A 14 14.706 -9.698 7.212 1.00 0.43 H new ATOM 0 HB2 LYS A 14 13.745 -9.312 4.406 1.00 0.39 H new ATOM 0 HB3 LYS A 14 14.349 -7.849 5.158 1.00 0.39 H new ATOM 0 HG2 LYS A 14 16.514 -8.788 5.547 1.00 0.60 H new ATOM 0 HG3 LYS A 14 15.934 -10.434 5.382 1.00 0.60 H new ATOM 0 HD2 LYS A 14 15.443 -8.794 2.957 1.00 0.86 H new ATOM 0 HD3 LYS A 14 17.145 -8.929 3.353 1.00 0.86 H new ATOM 0 HE2 LYS A 14 15.289 -11.356 3.274 1.00 1.06 H new ATOM 0 HE3 LYS A 14 16.175 -10.808 1.865 1.00 1.06 H new ATOM 0 HZ1 LYS A 14 17.598 -12.348 2.835 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 18.212 -10.879 3.426 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 17.243 -11.856 4.421 1.00 1.41 H new ATOM 252 N ASN A 15 13.739 -7.605 8.108 1.00 0.43 N ATOM 253 CA ASN A 15 13.072 -6.494 8.841 1.00 0.33 C ATOM 254 C ASN A 15 12.877 -5.295 7.912 1.00 0.24 C ATOM 255 O ASN A 15 13.278 -5.310 6.765 1.00 0.24 O ATOM 256 CB ASN A 15 13.941 -6.080 10.028 1.00 0.47 C ATOM 257 CG ASN A 15 13.290 -6.559 11.326 1.00 0.56 C ATOM 258 OD1 ASN A 15 13.342 -7.730 11.648 1.00 1.23 O ATOM 259 ND2 ASN A 15 12.672 -5.699 12.088 1.00 1.25 N ATOM 0 H ASN A 15 14.718 -7.752 8.352 1.00 0.43 H new ATOM 0 HA ASN A 15 12.098 -6.832 9.195 1.00 0.33 H new ATOM 0 HB2 ASN A 15 14.939 -6.508 9.929 1.00 0.47 H new ATOM 0 HB3 ASN A 15 14.059 -4.997 10.046 1.00 0.47 H new ATOM 0 HD21 ASN A 15 12.232 -6.009 12.954 1.00 1.25 H new ATOM 0 HD22 ASN A 15 12.629 -4.717 11.817 1.00 1.25 H new ATOM 266 N VAL A 16 12.281 -4.248 8.411 1.00 0.24 N ATOM 267 CA VAL A 16 12.080 -3.036 7.574 1.00 0.22 C ATOM 268 C VAL A 16 13.427 -2.336 7.415 1.00 0.23 C ATOM 269 O VAL A 16 13.698 -1.683 6.424 1.00 0.25 O ATOM 270 CB VAL A 16 11.102 -2.086 8.266 1.00 0.29 C ATOM 271 CG1 VAL A 16 9.823 -2.838 8.633 1.00 0.31 C ATOM 272 CG2 VAL A 16 11.748 -1.532 9.539 1.00 0.49 C ATOM 0 H VAL A 16 11.924 -4.181 9.364 1.00 0.24 H new ATOM 0 HA VAL A 16 11.677 -3.318 6.602 1.00 0.22 H new ATOM 0 HB VAL A 16 10.857 -1.266 7.591 1.00 0.29 H new ATOM 0 HG11 VAL A 16 9.129 -2.157 9.126 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.362 -3.234 7.728 1.00 0.31 H new ATOM 0 HG13 VAL A 16 10.065 -3.660 9.307 1.00 0.31 H new ATOM 0 HG21 VAL A 16 11.053 -0.854 10.034 1.00 0.49 H new ATOM 0 HG22 VAL A 16 11.993 -2.355 10.210 1.00 0.49 H new ATOM 0 HG23 VAL A 16 12.659 -0.992 9.280 1.00 0.49 H new ATOM 282 N GLU A 17 14.282 -2.488 8.385 1.00 0.27 N ATOM 283 CA GLU A 17 15.611 -1.844 8.292 1.00 0.33 C ATOM 284 C GLU A 17 16.476 -2.625 7.313 1.00 0.34 C ATOM 285 O GLU A 17 17.292 -2.058 6.619 1.00 0.37 O ATOM 286 CB GLU A 17 16.285 -1.800 9.669 1.00 0.39 C ATOM 287 CG GLU A 17 17.025 -3.111 9.947 1.00 0.86 C ATOM 288 CD GLU A 17 17.223 -3.273 11.456 1.00 1.03 C ATOM 289 OE1 GLU A 17 17.428 -2.269 12.118 1.00 1.56 O ATOM 290 OE2 GLU A 17 17.167 -4.399 11.924 1.00 1.41 O ATOM 0 H GLU A 17 14.116 -3.029 9.234 1.00 0.27 H new ATOM 0 HA GLU A 17 15.489 -0.820 7.939 1.00 0.33 H new ATOM 0 HB2 GLU A 17 16.984 -0.965 9.711 1.00 0.39 H new ATOM 0 HB3 GLU A 17 15.536 -1.628 10.442 1.00 0.39 H new ATOM 0 HG2 GLU A 17 16.457 -3.953 9.551 1.00 0.86 H new ATOM 0 HG3 GLU A 17 17.990 -3.111 9.440 1.00 0.86 H new ATOM 297 N ASP A 18 16.329 -3.923 7.236 1.00 0.35 N ATOM 298 CA ASP A 18 17.173 -4.700 6.306 1.00 0.38 C ATOM 299 C ASP A 18 16.981 -4.228 4.877 1.00 0.35 C ATOM 300 O ASP A 18 17.908 -4.273 4.092 1.00 0.34 O ATOM 301 CB ASP A 18 16.766 -6.162 6.386 1.00 0.46 C ATOM 302 CG ASP A 18 17.984 -7.018 6.740 1.00 0.66 C ATOM 303 OD1 ASP A 18 19.043 -6.763 6.189 1.00 1.38 O ATOM 304 OD2 ASP A 18 17.837 -7.915 7.552 1.00 1.27 O ATOM 0 H ASP A 18 15.660 -4.469 7.779 1.00 0.35 H new ATOM 0 HA ASP A 18 18.218 -4.565 6.587 1.00 0.38 H new ATOM 0 HB2 ASP A 18 15.987 -6.292 7.138 1.00 0.46 H new ATOM 0 HB3 ASP A 18 16.347 -6.485 5.433 1.00 0.46 H new ATOM 309 N HIS A 19 15.815 -3.761 4.508 1.00 0.34 N ATOM 310 CA HIS A 19 15.628 -3.290 3.113 1.00 0.33 C ATOM 311 C HIS A 19 15.838 -1.780 3.081 1.00 0.28 C ATOM 312 O HIS A 19 16.130 -1.212 2.050 1.00 0.27 O ATOM 313 CB HIS A 19 14.206 -3.619 2.653 1.00 0.36 C ATOM 314 CG HIS A 19 14.239 -4.779 1.696 1.00 0.53 C ATOM 315 ND1 HIS A 19 14.288 -6.096 2.132 1.00 1.22 N ATOM 316 CD2 HIS A 19 14.220 -4.836 0.325 1.00 1.43 C ATOM 317 CE1 HIS A 19 14.296 -6.883 1.039 1.00 1.27 C ATOM 318 NE2 HIS A 19 14.256 -6.164 -0.084 1.00 1.40 N ATOM 0 H HIS A 19 14.995 -3.688 5.110 1.00 0.34 H new ATOM 0 HA HIS A 19 16.341 -3.781 2.450 1.00 0.33 H new ATOM 0 HB2 HIS A 19 13.582 -3.862 3.513 1.00 0.36 H new ATOM 0 HB3 HIS A 19 13.759 -2.750 2.171 1.00 0.36 H new ATOM 0 HD2 HIS A 19 14.183 -3.981 -0.334 1.00 1.43 H new ATOM 0 HE1 HIS A 19 14.331 -7.962 1.068 1.00 1.27 H new ATOM 0 HE2 HIS A 19 14.253 -6.515 -1.042 1.00 1.40 H new ATOM 327 N VAL A 20 15.765 -1.126 4.214 1.00 0.26 N ATOM 328 CA VAL A 20 16.045 0.332 4.216 1.00 0.24 C ATOM 329 C VAL A 20 17.561 0.430 4.091 1.00 0.23 C ATOM 330 O VAL A 20 18.109 1.306 3.453 1.00 0.22 O ATOM 331 CB VAL A 20 15.529 0.975 5.518 1.00 0.25 C ATOM 332 CG1 VAL A 20 16.677 1.270 6.489 1.00 0.29 C ATOM 333 CG2 VAL A 20 14.808 2.281 5.184 1.00 0.29 C ATOM 0 H VAL A 20 15.528 -1.534 5.118 1.00 0.26 H new ATOM 0 HA VAL A 20 15.544 0.864 3.407 1.00 0.24 H new ATOM 0 HB VAL A 20 14.846 0.273 5.997 1.00 0.25 H new ATOM 0 HG11 VAL A 20 16.278 1.723 7.397 1.00 0.29 H new ATOM 0 HG12 VAL A 20 17.188 0.341 6.741 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.382 1.956 6.021 1.00 0.29 H new ATOM 0 HG21 VAL A 20 14.441 2.739 6.102 1.00 0.29 H new ATOM 0 HG22 VAL A 20 15.500 2.963 4.690 1.00 0.29 H new ATOM 0 HG23 VAL A 20 13.968 2.074 4.521 1.00 0.29 H new ATOM 343 N LEU A 21 18.216 -0.520 4.698 1.00 0.25 N ATOM 344 CA LEU A 21 19.699 -0.599 4.654 1.00 0.27 C ATOM 345 C LEU A 21 20.132 -0.944 3.226 1.00 0.27 C ATOM 346 O LEU A 21 20.948 -0.273 2.620 1.00 0.28 O ATOM 347 CB LEU A 21 20.156 -1.721 5.590 1.00 0.32 C ATOM 348 CG LEU A 21 20.118 -1.248 7.052 1.00 0.34 C ATOM 349 CD1 LEU A 21 20.402 -2.435 7.974 1.00 0.41 C ATOM 350 CD2 LEU A 21 21.175 -0.160 7.284 1.00 0.34 C ATOM 0 H LEU A 21 17.771 -1.263 5.236 1.00 0.25 H new ATOM 0 HA LEU A 21 20.137 0.351 4.960 1.00 0.27 H new ATOM 0 HB2 LEU A 21 19.512 -2.592 5.466 1.00 0.32 H new ATOM 0 HB3 LEU A 21 21.167 -2.033 5.328 1.00 0.32 H new ATOM 0 HG LEU A 21 19.132 -0.837 7.268 1.00 0.34 H new ATOM 0 HD11 LEU A 21 20.376 -2.104 9.012 1.00 0.41 H new ATOM 0 HD12 LEU A 21 19.646 -3.205 7.820 1.00 0.41 H new ATOM 0 HD13 LEU A 21 21.387 -2.844 7.748 1.00 0.41 H new ATOM 0 HD21 LEU A 21 21.138 0.167 8.323 1.00 0.34 H new ATOM 0 HD22 LEU A 21 22.164 -0.561 7.064 1.00 0.34 H new ATOM 0 HD23 LEU A 21 20.974 0.688 6.629 1.00 0.34 H new ATOM 362 N ASP A 22 19.581 -1.989 2.679 1.00 0.28 N ATOM 363 CA ASP A 22 19.950 -2.381 1.292 1.00 0.31 C ATOM 364 C ASP A 22 19.469 -1.305 0.313 1.00 0.29 C ATOM 365 O ASP A 22 20.048 -1.096 -0.734 1.00 0.31 O ATOM 366 CB ASP A 22 19.290 -3.720 0.949 1.00 0.36 C ATOM 367 CG ASP A 22 20.122 -4.446 -0.109 1.00 0.44 C ATOM 368 OD1 ASP A 22 20.601 -3.785 -1.015 1.00 1.22 O ATOM 369 OD2 ASP A 22 20.267 -5.652 0.005 1.00 1.01 O ATOM 0 H ASP A 22 18.891 -2.589 3.132 1.00 0.28 H new ATOM 0 HA ASP A 22 21.033 -2.481 1.216 1.00 0.31 H new ATOM 0 HB2 ASP A 22 19.205 -4.335 1.845 1.00 0.36 H new ATOM 0 HB3 ASP A 22 18.278 -3.554 0.580 1.00 0.36 H new ATOM 374 N VAL A 23 18.407 -0.624 0.648 1.00 0.27 N ATOM 375 CA VAL A 23 17.889 0.436 -0.264 1.00 0.27 C ATOM 376 C VAL A 23 18.862 1.616 -0.278 1.00 0.26 C ATOM 377 O VAL A 23 19.310 2.047 -1.324 1.00 0.26 O ATOM 378 CB VAL A 23 16.514 0.914 0.200 1.00 0.28 C ATOM 379 CG1 VAL A 23 16.202 2.256 -0.459 1.00 0.31 C ATOM 380 CG2 VAL A 23 15.451 -0.109 -0.208 1.00 0.32 C ATOM 0 H VAL A 23 17.877 -0.755 1.510 1.00 0.27 H new ATOM 0 HA VAL A 23 17.796 0.022 -1.268 1.00 0.27 H new ATOM 0 HB VAL A 23 16.513 1.025 1.284 1.00 0.28 H new ATOM 0 HG11 VAL A 23 15.222 2.603 -0.132 1.00 0.31 H new ATOM 0 HG12 VAL A 23 16.959 2.986 -0.173 1.00 0.31 H new ATOM 0 HG13 VAL A 23 16.202 2.138 -1.543 1.00 0.31 H new ATOM 0 HG21 VAL A 23 14.471 0.233 0.124 1.00 0.32 H new ATOM 0 HG22 VAL A 23 15.449 -0.219 -1.292 1.00 0.32 H new ATOM 0 HG23 VAL A 23 15.675 -1.071 0.254 1.00 0.32 H new ATOM 390 N ILE A 24 19.207 2.143 0.868 1.00 0.25 N ATOM 391 CA ILE A 24 20.161 3.285 0.881 1.00 0.26 C ATOM 392 C ILE A 24 21.497 2.810 0.318 1.00 0.26 C ATOM 393 O ILE A 24 22.319 3.600 -0.101 1.00 0.28 O ATOM 394 CB ILE A 24 20.346 3.825 2.307 1.00 0.30 C ATOM 395 CG1 ILE A 24 21.260 5.053 2.265 1.00 0.57 C ATOM 396 CG2 ILE A 24 20.975 2.758 3.205 1.00 0.45 C ATOM 397 CD1 ILE A 24 21.220 5.766 3.619 1.00 0.58 C ATOM 0 H ILE A 24 18.874 1.836 1.782 1.00 0.25 H new ATOM 0 HA ILE A 24 19.766 4.095 0.268 1.00 0.26 H new ATOM 0 HB ILE A 24 19.371 4.096 2.712 1.00 0.30 H new ATOM 0 HG12 ILE A 24 22.281 4.752 2.031 1.00 0.57 H new ATOM 0 HG13 ILE A 24 20.939 5.732 1.475 1.00 0.57 H new ATOM 0 HG21 ILE A 24 21.099 3.157 4.212 1.00 0.45 H new ATOM 0 HG22 ILE A 24 20.326 1.883 3.239 1.00 0.45 H new ATOM 0 HG23 ILE A 24 21.948 2.473 2.805 1.00 0.45 H new ATOM 0 HD11 ILE A 24 21.871 6.640 3.589 1.00 0.58 H new ATOM 0 HD12 ILE A 24 20.199 6.081 3.834 1.00 0.58 H new ATOM 0 HD13 ILE A 24 21.562 5.086 4.399 1.00 0.58 H new ATOM 409 N VAL A 25 21.714 1.520 0.277 1.00 0.26 N ATOM 410 CA VAL A 25 22.990 1.014 -0.293 1.00 0.29 C ATOM 411 C VAL A 25 22.918 1.119 -1.820 1.00 0.29 C ATOM 412 O VAL A 25 23.860 1.532 -2.466 1.00 0.31 O ATOM 413 CB VAL A 25 23.200 -0.447 0.117 1.00 0.31 C ATOM 414 CG1 VAL A 25 24.378 -1.040 -0.664 1.00 0.41 C ATOM 415 CG2 VAL A 25 23.503 -0.515 1.615 1.00 0.36 C ATOM 0 H VAL A 25 21.068 0.805 0.611 1.00 0.26 H new ATOM 0 HA VAL A 25 23.825 1.606 0.082 1.00 0.29 H new ATOM 0 HB VAL A 25 22.297 -1.016 -0.103 1.00 0.31 H new ATOM 0 HG11 VAL A 25 24.524 -2.079 -0.369 1.00 0.41 H new ATOM 0 HG12 VAL A 25 24.167 -0.992 -1.732 1.00 0.41 H new ATOM 0 HG13 VAL A 25 25.282 -0.471 -0.447 1.00 0.41 H new ATOM 0 HG21 VAL A 25 23.653 -1.554 1.909 1.00 0.36 H new ATOM 0 HG22 VAL A 25 24.406 0.057 1.830 1.00 0.36 H new ATOM 0 HG23 VAL A 25 22.667 -0.096 2.175 1.00 0.36 H new ATOM 425 N LEU A 26 21.815 0.740 -2.411 1.00 0.29 N ATOM 426 CA LEU A 26 21.691 0.815 -3.893 1.00 0.32 C ATOM 427 C LEU A 26 21.747 2.276 -4.351 1.00 0.32 C ATOM 428 O LEU A 26 22.279 2.590 -5.398 1.00 0.35 O ATOM 429 CB LEU A 26 20.349 0.200 -4.296 1.00 0.36 C ATOM 430 CG LEU A 26 20.524 -1.303 -4.522 1.00 0.65 C ATOM 431 CD1 LEU A 26 19.208 -2.019 -4.222 1.00 0.49 C ATOM 432 CD2 LEU A 26 20.925 -1.559 -5.977 1.00 1.19 C ATOM 0 H LEU A 26 20.992 0.380 -1.927 1.00 0.29 H new ATOM 0 HA LEU A 26 22.511 0.272 -4.362 1.00 0.32 H new ATOM 0 HB2 LEU A 26 19.607 0.378 -3.517 1.00 0.36 H new ATOM 0 HB3 LEU A 26 19.978 0.674 -5.204 1.00 0.36 H new ATOM 0 HG LEU A 26 21.303 -1.681 -3.860 1.00 0.65 H new ATOM 0 HD11 LEU A 26 19.332 -3.090 -4.383 1.00 0.49 H new ATOM 0 HD12 LEU A 26 18.923 -1.838 -3.185 1.00 0.49 H new ATOM 0 HD13 LEU A 26 18.429 -1.640 -4.884 1.00 0.49 H new ATOM 0 HD21 LEU A 26 21.049 -2.630 -6.137 1.00 1.19 H new ATOM 0 HD22 LEU A 26 20.147 -1.181 -6.641 1.00 1.19 H new ATOM 0 HD23 LEU A 26 21.864 -1.049 -6.191 1.00 1.19 H new ATOM 444 N PHE A 27 21.235 3.175 -3.559 1.00 0.31 N ATOM 445 CA PHE A 27 21.300 4.614 -3.939 1.00 0.33 C ATOM 446 C PHE A 27 22.774 5.009 -3.928 1.00 0.34 C ATOM 447 O PHE A 27 23.203 5.941 -4.580 1.00 0.37 O ATOM 448 CB PHE A 27 20.532 5.456 -2.922 1.00 0.35 C ATOM 449 CG PHE A 27 21.023 6.884 -2.975 1.00 0.44 C ATOM 450 CD1 PHE A 27 20.735 7.681 -4.089 1.00 1.19 C ATOM 451 CD2 PHE A 27 21.769 7.410 -1.912 1.00 1.38 C ATOM 452 CE1 PHE A 27 21.191 9.003 -4.142 1.00 1.22 C ATOM 453 CE2 PHE A 27 22.225 8.732 -1.964 1.00 1.46 C ATOM 454 CZ PHE A 27 21.936 9.529 -3.079 1.00 0.71 C ATOM 0 H PHE A 27 20.776 2.978 -2.669 1.00 0.31 H new ATOM 0 HA PHE A 27 20.856 4.779 -4.921 1.00 0.33 H new ATOM 0 HB2 PHE A 27 19.464 5.419 -3.137 1.00 0.35 H new ATOM 0 HB3 PHE A 27 20.670 5.050 -1.920 1.00 0.35 H new ATOM 0 HD1 PHE A 27 20.160 7.275 -4.908 1.00 1.19 H new ATOM 0 HD2 PHE A 27 21.992 6.795 -1.053 1.00 1.38 H new ATOM 0 HE1 PHE A 27 20.969 9.617 -5.002 1.00 1.22 H new ATOM 0 HE2 PHE A 27 22.800 9.138 -1.145 1.00 1.46 H new ATOM 0 HZ PHE A 27 22.288 10.549 -3.119 1.00 0.71 H new ATOM 464 N ASN A 28 23.540 4.262 -3.190 1.00 0.33 N ATOM 465 CA ASN A 28 25.000 4.523 -3.110 1.00 0.36 C ATOM 466 C ASN A 28 25.607 4.359 -4.503 1.00 0.38 C ATOM 467 O ASN A 28 26.576 5.005 -4.847 1.00 0.41 O ATOM 468 CB ASN A 28 25.651 3.534 -2.146 1.00 0.35 C ATOM 469 CG ASN A 28 26.884 4.177 -1.508 1.00 0.39 C ATOM 470 OD1 ASN A 28 27.971 4.097 -2.045 1.00 1.15 O ATOM 471 ND2 ASN A 28 26.761 4.814 -0.376 1.00 0.98 N ATOM 0 H ASN A 28 23.213 3.473 -2.632 1.00 0.33 H new ATOM 0 HA ASN A 28 25.173 5.536 -2.747 1.00 0.36 H new ATOM 0 HB2 ASN A 28 24.940 3.242 -1.373 1.00 0.35 H new ATOM 0 HB3 ASN A 28 25.936 2.626 -2.678 1.00 0.35 H new ATOM 0 HD21 ASN A 28 27.577 5.245 0.058 1.00 0.98 H new ATOM 0 HD22 ASN A 28 25.849 4.881 0.075 1.00 0.98 H new ATOM 478 N GLN A 29 25.044 3.498 -5.310 1.00 0.38 N ATOM 479 CA GLN A 29 25.588 3.295 -6.679 1.00 0.40 C ATOM 480 C GLN A 29 24.941 4.301 -7.633 1.00 0.43 C ATOM 481 O GLN A 29 25.316 4.408 -8.785 1.00 0.51 O ATOM 482 CB GLN A 29 25.276 1.870 -7.142 1.00 0.40 C ATOM 483 CG GLN A 29 25.673 0.877 -6.048 1.00 0.38 C ATOM 484 CD GLN A 29 25.331 -0.544 -6.498 1.00 0.40 C ATOM 485 OE1 GLN A 29 26.111 -1.457 -6.312 1.00 1.17 O ATOM 486 NE2 GLN A 29 24.189 -0.772 -7.088 1.00 1.10 N ATOM 0 H GLN A 29 24.231 2.928 -5.077 1.00 0.38 H new ATOM 0 HA GLN A 29 26.668 3.444 -6.673 1.00 0.40 H new ATOM 0 HB2 GLN A 29 24.214 1.774 -7.366 1.00 0.40 H new ATOM 0 HB3 GLN A 29 25.817 1.649 -8.062 1.00 0.40 H new ATOM 0 HG2 GLN A 29 26.740 0.957 -5.840 1.00 0.38 H new ATOM 0 HG3 GLN A 29 25.149 1.112 -5.122 1.00 0.38 H new ATOM 0 HE21 GLN A 29 23.534 -0.006 -7.244 1.00 1.10 H new ATOM 0 HE22 GLN A 29 23.952 -1.716 -7.393 1.00 1.10 H new ATOM 495 N GLY A 30 23.975 5.042 -7.152 1.00 0.39 N ATOM 496 CA GLY A 30 23.293 6.057 -8.011 1.00 0.42 C ATOM 497 C GLY A 30 21.864 5.603 -8.320 1.00 0.37 C ATOM 498 O GLY A 30 21.205 6.153 -9.178 1.00 0.39 O ATOM 0 H GLY A 30 23.627 4.987 -6.195 1.00 0.39 H new ATOM 0 HA2 GLY A 30 23.276 7.022 -7.505 1.00 0.42 H new ATOM 0 HA3 GLY A 30 23.849 6.194 -8.939 1.00 0.42 H new ATOM 502 N ILE A 31 21.380 4.606 -7.634 1.00 0.33 N ATOM 503 CA ILE A 31 19.995 4.123 -7.903 1.00 0.31 C ATOM 504 C ILE A 31 18.995 5.124 -7.337 1.00 0.28 C ATOM 505 O ILE A 31 18.848 5.254 -6.137 1.00 0.30 O ATOM 506 CB ILE A 31 19.802 2.767 -7.242 1.00 0.30 C ATOM 507 CG1 ILE A 31 20.813 1.779 -7.844 1.00 0.35 C ATOM 508 CG2 ILE A 31 18.368 2.283 -7.461 1.00 0.31 C ATOM 509 CD1 ILE A 31 20.618 1.628 -9.359 1.00 0.35 C ATOM 0 H ILE A 31 21.881 4.105 -6.900 1.00 0.33 H new ATOM 0 HA ILE A 31 19.836 4.026 -8.977 1.00 0.31 H new ATOM 0 HB ILE A 31 19.971 2.842 -6.168 1.00 0.30 H new ATOM 0 HG12 ILE A 31 21.827 2.124 -7.639 1.00 0.35 H new ATOM 0 HG13 ILE A 31 20.704 0.807 -7.363 1.00 0.35 H new ATOM 0 HG21 ILE A 31 18.235 1.311 -6.985 1.00 0.31 H new ATOM 0 HG22 ILE A 31 17.672 2.999 -7.024 1.00 0.31 H new ATOM 0 HG23 ILE A 31 18.173 2.193 -8.530 1.00 0.31 H new ATOM 0 HD11 ILE A 31 21.350 0.922 -9.751 1.00 0.35 H new ATOM 0 HD12 ILE A 31 19.613 1.259 -9.561 1.00 0.35 H new ATOM 0 HD13 ILE A 31 20.753 2.596 -9.841 1.00 0.35 H new ATOM 521 N ASP A 32 18.305 5.837 -8.190 1.00 0.26 N ATOM 522 CA ASP A 32 17.318 6.830 -7.699 1.00 0.27 C ATOM 523 C ASP A 32 15.921 6.217 -7.635 1.00 0.28 C ATOM 524 O ASP A 32 15.142 6.535 -6.757 1.00 0.45 O ATOM 525 CB ASP A 32 17.303 8.040 -8.635 1.00 0.30 C ATOM 526 CG ASP A 32 18.662 8.742 -8.585 1.00 0.72 C ATOM 527 OD1 ASP A 32 19.628 8.092 -8.221 1.00 1.55 O ATOM 528 OD2 ASP A 32 18.712 9.917 -8.911 1.00 1.22 O ATOM 0 H ASP A 32 18.386 5.770 -9.205 1.00 0.26 H new ATOM 0 HA ASP A 32 17.607 7.142 -6.695 1.00 0.27 H new ATOM 0 HB2 ASP A 32 17.084 7.722 -9.654 1.00 0.30 H new ATOM 0 HB3 ASP A 32 16.514 8.731 -8.340 1.00 0.30 H new ATOM 533 N GLU A 33 15.583 5.376 -8.585 1.00 0.26 N ATOM 534 CA GLU A 33 14.231 4.774 -8.606 1.00 0.27 C ATOM 535 C GLU A 33 14.249 3.387 -7.989 1.00 0.23 C ATOM 536 O GLU A 33 15.147 2.600 -8.217 1.00 0.23 O ATOM 537 CB GLU A 33 13.719 4.678 -10.038 1.00 0.29 C ATOM 538 CG GLU A 33 14.285 5.836 -10.857 1.00 0.48 C ATOM 539 CD GLU A 33 13.322 6.183 -11.993 1.00 0.71 C ATOM 540 OE1 GLU A 33 12.261 6.710 -11.704 1.00 1.15 O ATOM 541 OE2 GLU A 33 13.662 5.914 -13.132 1.00 1.58 O ATOM 0 H GLU A 33 16.196 5.086 -9.347 1.00 0.26 H new ATOM 0 HA GLU A 33 13.569 5.414 -8.023 1.00 0.27 H new ATOM 0 HB2 GLU A 33 14.016 3.727 -10.479 1.00 0.29 H new ATOM 0 HB3 GLU A 33 12.629 4.708 -10.049 1.00 0.29 H new ATOM 0 HG2 GLU A 33 14.437 6.706 -10.218 1.00 0.48 H new ATOM 0 HG3 GLU A 33 15.259 5.565 -11.263 1.00 0.48 H new ATOM 548 N VAL A 34 13.264 3.089 -7.200 1.00 0.21 N ATOM 549 CA VAL A 34 13.219 1.755 -6.554 1.00 0.20 C ATOM 550 C VAL A 34 11.768 1.316 -6.373 1.00 0.19 C ATOM 551 O VAL A 34 10.902 2.101 -6.020 1.00 0.20 O ATOM 552 CB VAL A 34 13.943 1.823 -5.197 1.00 0.21 C ATOM 553 CG1 VAL A 34 12.946 2.059 -4.059 1.00 0.54 C ATOM 554 CG2 VAL A 34 14.687 0.509 -4.940 1.00 0.43 C ATOM 0 H VAL A 34 12.488 3.710 -6.974 1.00 0.21 H new ATOM 0 HA VAL A 34 13.722 1.022 -7.185 1.00 0.20 H new ATOM 0 HB VAL A 34 14.649 2.653 -5.230 1.00 0.21 H new ATOM 0 HG11 VAL A 34 13.481 2.103 -3.110 1.00 0.54 H new ATOM 0 HG12 VAL A 34 12.421 3.000 -4.224 1.00 0.54 H new ATOM 0 HG13 VAL A 34 12.225 1.242 -4.031 1.00 0.54 H new ATOM 0 HG21 VAL A 34 15.198 0.562 -3.979 1.00 0.43 H new ATOM 0 HG22 VAL A 34 13.975 -0.316 -4.927 1.00 0.43 H new ATOM 0 HG23 VAL A 34 15.419 0.345 -5.731 1.00 0.43 H new ATOM 564 N ILE A 35 11.512 0.064 -6.661 1.00 0.19 N ATOM 565 CA ILE A 35 10.131 -0.486 -6.550 1.00 0.19 C ATOM 566 C ILE A 35 10.102 -1.581 -5.498 1.00 0.19 C ATOM 567 O ILE A 35 10.861 -2.528 -5.560 1.00 0.20 O ATOM 568 CB ILE A 35 9.714 -1.064 -7.892 1.00 0.19 C ATOM 569 CG1 ILE A 35 10.338 -0.209 -8.996 1.00 0.22 C ATOM 570 CG2 ILE A 35 8.186 -1.055 -8.003 1.00 0.19 C ATOM 571 CD1 ILE A 35 9.472 -0.273 -10.259 1.00 0.25 C ATOM 0 H ILE A 35 12.214 -0.608 -6.973 1.00 0.19 H new ATOM 0 HA ILE A 35 9.444 0.309 -6.262 1.00 0.19 H new ATOM 0 HB ILE A 35 10.057 -2.094 -7.989 1.00 0.19 H new ATOM 0 HG12 ILE A 35 10.430 0.824 -8.660 1.00 0.22 H new ATOM 0 HG13 ILE A 35 11.345 -0.563 -9.217 1.00 0.22 H new ATOM 0 HG21 ILE A 35 7.889 -1.470 -8.966 1.00 0.19 H new ATOM 0 HG22 ILE A 35 7.759 -1.658 -7.201 1.00 0.19 H new ATOM 0 HG23 ILE A 35 7.821 -0.031 -7.921 1.00 0.19 H new ATOM 0 HD11 ILE A 35 9.923 0.338 -11.041 1.00 0.25 H new ATOM 0 HD12 ILE A 35 9.403 -1.306 -10.601 1.00 0.25 H new ATOM 0 HD13 ILE A 35 8.474 0.103 -10.035 1.00 0.25 H new ATOM 583 N LEU A 36 9.221 -1.464 -4.540 1.00 0.21 N ATOM 584 CA LEU A 36 9.124 -2.501 -3.482 1.00 0.23 C ATOM 585 C LEU A 36 7.805 -3.253 -3.625 1.00 0.23 C ATOM 586 O LEU A 36 6.741 -2.678 -3.494 1.00 0.24 O ATOM 587 CB LEU A 36 9.196 -1.847 -2.103 1.00 0.24 C ATOM 588 CG LEU A 36 10.571 -2.128 -1.487 1.00 0.30 C ATOM 589 CD1 LEU A 36 11.657 -1.467 -2.338 1.00 0.40 C ATOM 590 CD2 LEU A 36 10.623 -1.553 -0.077 1.00 0.30 C ATOM 0 H LEU A 36 8.563 -0.690 -4.448 1.00 0.21 H new ATOM 0 HA LEU A 36 9.954 -3.200 -3.588 1.00 0.23 H new ATOM 0 HB2 LEU A 36 9.034 -0.772 -2.187 1.00 0.24 H new ATOM 0 HB3 LEU A 36 8.408 -2.239 -1.459 1.00 0.24 H new ATOM 0 HG LEU A 36 10.737 -3.205 -1.451 1.00 0.30 H new ATOM 0 HD11 LEU A 36 12.635 -1.667 -1.900 1.00 0.40 H new ATOM 0 HD12 LEU A 36 11.623 -1.872 -3.350 1.00 0.40 H new ATOM 0 HD13 LEU A 36 11.488 -0.391 -2.372 1.00 0.40 H new ATOM 0 HD21 LEU A 36 11.601 -1.753 0.362 1.00 0.30 H new ATOM 0 HD22 LEU A 36 10.456 -0.477 -0.117 1.00 0.30 H new ATOM 0 HD23 LEU A 36 9.849 -2.018 0.534 1.00 0.30 H new ATOM 602 N LYS A 37 7.870 -4.541 -3.842 1.00 0.23 N ATOM 603 CA LYS A 37 6.614 -5.341 -3.937 1.00 0.23 C ATOM 604 C LYS A 37 6.465 -6.140 -2.647 1.00 0.18 C ATOM 605 O LYS A 37 7.406 -6.744 -2.173 1.00 0.19 O ATOM 606 CB LYS A 37 6.657 -6.293 -5.128 1.00 0.31 C ATOM 607 CG LYS A 37 7.742 -5.854 -6.115 1.00 1.23 C ATOM 608 CD LYS A 37 7.505 -6.538 -7.464 1.00 1.52 C ATOM 609 CE LYS A 37 8.717 -6.321 -8.371 1.00 2.39 C ATOM 610 NZ LYS A 37 8.274 -6.301 -9.795 1.00 2.74 N ATOM 0 H LYS A 37 8.734 -5.071 -3.957 1.00 0.23 H new ATOM 0 HA LYS A 37 5.767 -4.670 -4.078 1.00 0.23 H new ATOM 0 HB2 LYS A 37 6.856 -7.308 -4.785 1.00 0.31 H new ATOM 0 HB3 LYS A 37 5.687 -6.309 -5.625 1.00 0.31 H new ATOM 0 HG2 LYS A 37 7.724 -4.771 -6.235 1.00 1.23 H new ATOM 0 HG3 LYS A 37 8.728 -6.115 -5.730 1.00 1.23 H new ATOM 0 HD2 LYS A 37 7.335 -7.605 -7.317 1.00 1.52 H new ATOM 0 HD3 LYS A 37 6.609 -6.134 -7.935 1.00 1.52 H new ATOM 0 HE2 LYS A 37 9.210 -5.382 -8.119 1.00 2.39 H new ATOM 0 HE3 LYS A 37 9.447 -7.116 -8.217 1.00 2.39 H new ATOM 0 HZ1 LYS A 37 9.098 -6.153 -10.413 1.00 2.74 H new ATOM 0 HZ2 LYS A 37 7.822 -7.208 -10.031 1.00 2.74 H new ATOM 0 HZ3 LYS A 37 7.593 -5.528 -9.936 1.00 2.74 H new ATOM 624 N GLY A 38 5.303 -6.120 -2.061 1.00 0.18 N ATOM 625 CA GLY A 38 5.107 -6.860 -0.776 1.00 0.21 C ATOM 626 C GLY A 38 3.763 -7.586 -0.764 1.00 0.18 C ATOM 627 O GLY A 38 2.830 -7.188 -1.428 1.00 0.19 O ATOM 0 H GLY A 38 4.481 -5.627 -2.410 1.00 0.18 H new ATOM 0 HA2 GLY A 38 5.915 -7.579 -0.639 1.00 0.21 H new ATOM 0 HA3 GLY A 38 5.156 -6.163 0.061 1.00 0.21 H new ATOM 631 N THR A 39 3.683 -8.675 -0.034 1.00 0.20 N ATOM 632 CA THR A 39 2.420 -9.473 0.006 1.00 0.25 C ATOM 633 C THR A 39 1.933 -9.691 1.444 1.00 0.23 C ATOM 634 O THR A 39 2.687 -10.043 2.321 1.00 0.22 O ATOM 635 CB THR A 39 2.687 -10.838 -0.629 1.00 0.28 C ATOM 636 OG1 THR A 39 3.627 -11.551 0.164 1.00 0.43 O ATOM 637 CG2 THR A 39 3.248 -10.648 -2.039 1.00 0.56 C ATOM 0 H THR A 39 4.443 -9.045 0.537 1.00 0.20 H new ATOM 0 HA THR A 39 1.651 -8.924 -0.537 1.00 0.25 H new ATOM 0 HB THR A 39 1.755 -11.401 -0.685 1.00 0.28 H new ATOM 0 HG1 THR A 39 3.798 -12.427 -0.240 1.00 0.43 H new ATOM 0 HG21 THR A 39 3.438 -11.622 -2.490 1.00 0.56 H new ATOM 0 HG22 THR A 39 2.527 -10.101 -2.647 1.00 0.56 H new ATOM 0 HG23 THR A 39 4.180 -10.085 -1.987 1.00 0.56 H new ATOM 645 N GLY A 40 0.660 -9.487 1.674 1.00 0.27 N ATOM 646 CA GLY A 40 0.065 -9.696 3.030 1.00 0.30 C ATOM 647 C GLY A 40 1.001 -9.237 4.152 1.00 0.29 C ATOM 648 O GLY A 40 0.874 -8.146 4.668 1.00 0.33 O ATOM 0 H GLY A 40 -0.005 -9.178 0.965 1.00 0.27 H new ATOM 0 HA2 GLY A 40 -0.876 -9.151 3.099 1.00 0.30 H new ATOM 0 HA3 GLY A 40 -0.168 -10.752 3.163 1.00 0.30 H new ATOM 652 N ARG A 41 1.925 -10.069 4.551 1.00 0.27 N ATOM 653 CA ARG A 41 2.852 -9.688 5.654 1.00 0.28 C ATOM 654 C ARG A 41 3.938 -8.755 5.127 1.00 0.24 C ATOM 655 O ARG A 41 4.136 -7.674 5.646 1.00 0.25 O ATOM 656 CB ARG A 41 3.492 -10.950 6.248 1.00 0.31 C ATOM 657 CG ARG A 41 3.648 -12.023 5.160 1.00 0.64 C ATOM 658 CD ARG A 41 2.424 -12.948 5.149 1.00 0.92 C ATOM 659 NE ARG A 41 1.206 -12.193 5.557 1.00 1.69 N ATOM 660 CZ ARG A 41 0.039 -12.775 5.524 1.00 2.12 C ATOM 661 NH1 ARG A 41 -0.061 -14.016 5.133 1.00 2.03 N ATOM 662 NH2 ARG A 41 -1.029 -12.116 5.882 1.00 3.09 N ATOM 0 H ARG A 41 2.078 -10.998 4.159 1.00 0.27 H new ATOM 0 HA ARG A 41 2.289 -9.170 6.430 1.00 0.28 H new ATOM 0 HB2 ARG A 41 4.466 -10.708 6.674 1.00 0.31 H new ATOM 0 HB3 ARG A 41 2.875 -11.332 7.061 1.00 0.31 H new ATOM 0 HG2 ARG A 41 3.763 -11.549 4.185 1.00 0.64 H new ATOM 0 HG3 ARG A 41 4.552 -12.605 5.340 1.00 0.64 H new ATOM 0 HD2 ARG A 41 2.284 -13.367 4.152 1.00 0.92 H new ATOM 0 HD3 ARG A 41 2.586 -13.786 5.827 1.00 0.92 H new ATOM 0 HE ARG A 41 1.285 -11.223 5.862 1.00 1.69 H new ATOM 0 HH11 ARG A 41 0.774 -14.531 4.853 1.00 2.03 H new ATOM 0 HH12 ARG A 41 -0.974 -14.471 5.107 1.00 2.03 H new ATOM 0 HH21 ARG A 41 -0.951 -11.146 6.188 1.00 3.09 H new ATOM 0 HH22 ARG A 41 -1.942 -12.571 5.856 1.00 3.09 H new ATOM 676 N GLU A 42 4.643 -9.145 4.104 1.00 0.21 N ATOM 677 CA GLU A 42 5.698 -8.253 3.573 1.00 0.18 C ATOM 678 C GLU A 42 5.026 -6.971 3.107 1.00 0.17 C ATOM 679 O GLU A 42 5.648 -5.937 2.970 1.00 0.18 O ATOM 680 CB GLU A 42 6.405 -8.909 2.381 1.00 0.16 C ATOM 681 CG GLU A 42 5.968 -10.370 2.229 1.00 0.20 C ATOM 682 CD GLU A 42 6.755 -11.026 1.094 1.00 0.22 C ATOM 683 OE1 GLU A 42 6.814 -10.441 0.025 1.00 1.06 O ATOM 684 OE2 GLU A 42 7.285 -12.102 1.313 1.00 1.09 O ATOM 0 H GLU A 42 4.533 -10.035 3.619 1.00 0.21 H new ATOM 0 HA GLU A 42 6.439 -8.053 4.347 1.00 0.18 H new ATOM 0 HB2 GLU A 42 6.176 -8.359 1.468 1.00 0.16 H new ATOM 0 HB3 GLU A 42 7.485 -8.860 2.520 1.00 0.16 H new ATOM 0 HG2 GLU A 42 6.137 -10.909 3.161 1.00 0.20 H new ATOM 0 HG3 GLU A 42 4.899 -10.421 2.021 1.00 0.20 H new ATOM 691 N ILE A 43 3.752 -7.031 2.850 1.00 0.19 N ATOM 692 CA ILE A 43 3.031 -5.821 2.383 1.00 0.20 C ATOM 693 C ILE A 43 3.264 -4.640 3.342 1.00 0.22 C ATOM 694 O ILE A 43 3.365 -3.508 2.917 1.00 0.24 O ATOM 695 CB ILE A 43 1.531 -6.162 2.273 1.00 0.26 C ATOM 696 CG1 ILE A 43 0.979 -5.585 0.978 1.00 0.40 C ATOM 697 CG2 ILE A 43 0.750 -5.564 3.440 1.00 0.38 C ATOM 698 CD1 ILE A 43 -0.504 -5.938 0.845 1.00 0.87 C ATOM 0 H ILE A 43 3.178 -7.869 2.944 1.00 0.19 H new ATOM 0 HA ILE A 43 3.409 -5.518 1.407 1.00 0.20 H new ATOM 0 HB ILE A 43 1.424 -7.247 2.290 1.00 0.26 H new ATOM 0 HG12 ILE A 43 1.107 -4.503 0.968 1.00 0.40 H new ATOM 0 HG13 ILE A 43 1.534 -5.980 0.127 1.00 0.40 H new ATOM 0 HG21 ILE A 43 -0.305 -5.818 3.340 1.00 0.38 H new ATOM 0 HG22 ILE A 43 1.133 -5.966 4.378 1.00 0.38 H new ATOM 0 HG23 ILE A 43 0.864 -4.480 3.437 1.00 0.38 H new ATOM 0 HD11 ILE A 43 -0.895 -5.523 -0.084 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -0.621 -7.022 0.835 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -1.054 -5.521 1.689 1.00 0.87 H new ATOM 710 N SER A 44 3.345 -4.881 4.626 1.00 0.24 N ATOM 711 CA SER A 44 3.562 -3.759 5.582 1.00 0.27 C ATOM 712 C SER A 44 5.054 -3.474 5.671 1.00 0.26 C ATOM 713 O SER A 44 5.469 -2.388 6.026 1.00 0.27 O ATOM 714 CB SER A 44 3.029 -4.152 6.960 1.00 0.31 C ATOM 715 OG SER A 44 2.225 -5.318 6.837 1.00 1.14 O ATOM 0 H SER A 44 3.270 -5.805 5.051 1.00 0.24 H new ATOM 0 HA SER A 44 3.036 -2.869 5.238 1.00 0.27 H new ATOM 0 HB2 SER A 44 3.857 -4.338 7.644 1.00 0.31 H new ATOM 0 HB3 SER A 44 2.444 -3.335 7.383 1.00 0.31 H new ATOM 0 HG SER A 44 1.408 -5.210 7.367 1.00 1.14 H new ATOM 721 N LYS A 45 5.865 -4.421 5.295 1.00 0.25 N ATOM 722 CA LYS A 45 7.318 -4.147 5.309 1.00 0.25 C ATOM 723 C LYS A 45 7.535 -3.049 4.279 1.00 0.23 C ATOM 724 O LYS A 45 7.826 -1.921 4.622 1.00 0.25 O ATOM 725 CB LYS A 45 8.120 -5.403 4.954 1.00 0.24 C ATOM 726 CG LYS A 45 8.362 -6.230 6.219 1.00 0.42 C ATOM 727 CD LYS A 45 7.036 -6.447 6.958 1.00 0.90 C ATOM 728 CE LYS A 45 7.172 -7.623 7.928 1.00 0.82 C ATOM 729 NZ LYS A 45 6.475 -7.296 9.204 1.00 1.86 N ATOM 0 H LYS A 45 5.589 -5.353 4.985 1.00 0.25 H new ATOM 0 HA LYS A 45 7.659 -3.842 6.298 1.00 0.25 H new ATOM 0 HB2 LYS A 45 7.579 -5.996 4.217 1.00 0.24 H new ATOM 0 HB3 LYS A 45 9.072 -5.124 4.502 1.00 0.24 H new ATOM 0 HG2 LYS A 45 8.805 -7.191 5.957 1.00 0.42 H new ATOM 0 HG3 LYS A 45 9.072 -5.718 6.869 1.00 0.42 H new ATOM 0 HD2 LYS A 45 6.760 -5.544 7.503 1.00 0.90 H new ATOM 0 HD3 LYS A 45 6.238 -6.644 6.242 1.00 0.90 H new ATOM 0 HE2 LYS A 45 6.744 -8.523 7.487 1.00 0.82 H new ATOM 0 HE3 LYS A 45 8.225 -7.831 8.119 1.00 0.82 H new ATOM 0 HZ1 LYS A 45 6.567 -8.094 9.864 1.00 1.86 H new ATOM 0 HZ2 LYS A 45 6.903 -6.447 9.626 1.00 1.86 H new ATOM 0 HZ3 LYS A 45 5.468 -7.118 9.014 1.00 1.86 H new ATOM 743 N ALA A 46 7.397 -3.390 3.019 1.00 0.22 N ATOM 744 CA ALA A 46 7.585 -2.391 1.918 1.00 0.23 C ATOM 745 C ALA A 46 7.190 -0.985 2.398 1.00 0.22 C ATOM 746 O ALA A 46 7.913 -0.026 2.212 1.00 0.29 O ATOM 747 CB ALA A 46 6.706 -2.785 0.727 1.00 0.25 C ATOM 0 H ALA A 46 7.159 -4.330 2.703 1.00 0.22 H new ATOM 0 HA ALA A 46 8.634 -2.381 1.622 1.00 0.23 H new ATOM 0 HB1 ALA A 46 6.838 -2.062 -0.078 1.00 0.25 H new ATOM 0 HB2 ALA A 46 6.993 -3.776 0.375 1.00 0.25 H new ATOM 0 HB3 ALA A 46 5.660 -2.798 1.035 1.00 0.25 H new ATOM 753 N VAL A 47 6.048 -0.865 3.019 1.00 0.17 N ATOM 754 CA VAL A 47 5.591 0.468 3.527 1.00 0.17 C ATOM 755 C VAL A 47 6.625 1.040 4.499 1.00 0.17 C ATOM 756 O VAL A 47 7.309 1.998 4.203 1.00 0.16 O ATOM 757 CB VAL A 47 4.256 0.303 4.267 1.00 0.18 C ATOM 758 CG1 VAL A 47 3.799 1.654 4.837 1.00 0.22 C ATOM 759 CG2 VAL A 47 3.199 -0.232 3.299 1.00 0.20 C ATOM 0 H VAL A 47 5.405 -1.636 3.199 1.00 0.17 H new ATOM 0 HA VAL A 47 5.470 1.145 2.682 1.00 0.17 H new ATOM 0 HB VAL A 47 4.387 -0.401 5.089 1.00 0.18 H new ATOM 0 HG11 VAL A 47 2.851 1.526 5.360 1.00 0.22 H new ATOM 0 HG12 VAL A 47 4.550 2.028 5.533 1.00 0.22 H new ATOM 0 HG13 VAL A 47 3.671 2.368 4.023 1.00 0.22 H new ATOM 0 HG21 VAL A 47 2.251 -0.349 3.824 1.00 0.20 H new ATOM 0 HG22 VAL A 47 3.073 0.469 2.474 1.00 0.20 H new ATOM 0 HG23 VAL A 47 3.519 -1.198 2.908 1.00 0.20 H new ATOM 769 N ASP A 48 6.716 0.466 5.667 1.00 0.20 N ATOM 770 CA ASP A 48 7.679 0.968 6.691 1.00 0.23 C ATOM 771 C ASP A 48 9.016 1.299 6.034 1.00 0.24 C ATOM 772 O ASP A 48 9.591 2.342 6.266 1.00 0.26 O ATOM 773 CB ASP A 48 7.892 -0.111 7.754 1.00 0.26 C ATOM 774 CG ASP A 48 8.472 0.526 9.018 1.00 0.44 C ATOM 775 OD1 ASP A 48 9.671 0.749 9.050 1.00 1.26 O ATOM 776 OD2 ASP A 48 7.705 0.781 9.933 1.00 1.11 O ATOM 0 H ASP A 48 6.159 -0.337 5.960 1.00 0.20 H new ATOM 0 HA ASP A 48 7.274 1.869 7.152 1.00 0.23 H new ATOM 0 HB2 ASP A 48 6.947 -0.603 7.983 1.00 0.26 H new ATOM 0 HB3 ASP A 48 8.568 -0.879 7.378 1.00 0.26 H new ATOM 781 N VAL A 49 9.510 0.420 5.213 1.00 0.26 N ATOM 782 CA VAL A 49 10.807 0.695 4.540 1.00 0.30 C ATOM 783 C VAL A 49 10.763 2.100 3.940 1.00 0.29 C ATOM 784 O VAL A 49 11.591 2.940 4.235 1.00 0.29 O ATOM 785 CB VAL A 49 11.048 -0.327 3.430 1.00 0.37 C ATOM 786 CG1 VAL A 49 12.332 0.033 2.681 1.00 1.06 C ATOM 787 CG2 VAL A 49 11.191 -1.723 4.044 1.00 0.95 C ATOM 0 H VAL A 49 9.075 -0.473 4.979 1.00 0.26 H new ATOM 0 HA VAL A 49 11.617 0.624 5.266 1.00 0.30 H new ATOM 0 HB VAL A 49 10.206 -0.319 2.738 1.00 0.37 H new ATOM 0 HG11 VAL A 49 12.507 -0.694 1.888 1.00 1.06 H new ATOM 0 HG12 VAL A 49 12.233 1.027 2.246 1.00 1.06 H new ATOM 0 HG13 VAL A 49 13.173 0.023 3.375 1.00 1.06 H new ATOM 0 HG21 VAL A 49 11.363 -2.453 3.253 1.00 0.95 H new ATOM 0 HG22 VAL A 49 12.034 -1.732 4.735 1.00 0.95 H new ATOM 0 HG23 VAL A 49 10.278 -1.979 4.582 1.00 0.95 H new ATOM 797 N TYR A 50 9.811 2.357 3.085 1.00 0.31 N ATOM 798 CA TYR A 50 9.707 3.697 2.438 1.00 0.34 C ATOM 799 C TYR A 50 9.496 4.793 3.481 1.00 0.30 C ATOM 800 O TYR A 50 10.249 5.738 3.551 1.00 0.30 O ATOM 801 CB TYR A 50 8.523 3.677 1.477 1.00 0.40 C ATOM 802 CG TYR A 50 7.903 5.051 1.389 1.00 1.14 C ATOM 803 CD1 TYR A 50 8.687 6.149 1.026 1.00 1.88 C ATOM 804 CD2 TYR A 50 6.539 5.224 1.661 1.00 2.13 C ATOM 805 CE1 TYR A 50 8.111 7.421 0.933 1.00 2.70 C ATOM 806 CE2 TYR A 50 5.963 6.495 1.566 1.00 2.97 C ATOM 807 CZ TYR A 50 6.749 7.595 1.202 1.00 3.06 C ATOM 808 OH TYR A 50 6.181 8.848 1.111 1.00 4.02 O ATOM 0 H TYR A 50 9.093 1.689 2.804 1.00 0.31 H new ATOM 0 HA TYR A 50 10.633 3.910 1.905 1.00 0.34 H new ATOM 0 HB2 TYR A 50 8.852 3.354 0.489 1.00 0.40 H new ATOM 0 HB3 TYR A 50 7.780 2.955 1.818 1.00 0.40 H new ATOM 0 HD1 TYR A 50 9.738 6.016 0.817 1.00 1.88 H new ATOM 0 HD2 TYR A 50 5.933 4.376 1.944 1.00 2.13 H new ATOM 0 HE1 TYR A 50 8.718 8.269 0.653 1.00 2.70 H new ATOM 0 HE2 TYR A 50 4.911 6.628 1.774 1.00 2.97 H new ATOM 0 HH TYR A 50 5.227 8.791 1.329 1.00 4.02 H new ATOM 818 N ASN A 51 8.487 4.680 4.298 1.00 0.30 N ATOM 819 CA ASN A 51 8.258 5.724 5.331 1.00 0.30 C ATOM 820 C ASN A 51 9.553 5.917 6.097 1.00 0.29 C ATOM 821 O ASN A 51 10.043 7.016 6.272 1.00 0.29 O ATOM 822 CB ASN A 51 7.173 5.254 6.295 1.00 0.32 C ATOM 823 CG ASN A 51 6.688 6.440 7.131 1.00 0.61 C ATOM 824 OD1 ASN A 51 5.743 7.111 6.769 1.00 1.34 O ATOM 825 ND2 ASN A 51 7.305 6.729 8.243 1.00 1.28 N ATOM 0 H ASN A 51 7.814 3.913 4.295 1.00 0.30 H new ATOM 0 HA ASN A 51 7.945 6.658 4.864 1.00 0.30 H new ATOM 0 HB2 ASN A 51 6.341 4.821 5.740 1.00 0.32 H new ATOM 0 HB3 ASN A 51 7.563 4.471 6.946 1.00 0.32 H new ATOM 0 HD21 ASN A 51 6.994 7.519 8.809 1.00 1.28 H new ATOM 0 HD22 ASN A 51 8.099 6.165 8.547 1.00 1.28 H new ATOM 832 N SER A 52 10.101 4.837 6.558 1.00 0.30 N ATOM 833 CA SER A 52 11.366 4.917 7.327 1.00 0.30 C ATOM 834 C SER A 52 12.440 5.532 6.432 1.00 0.29 C ATOM 835 O SER A 52 13.295 6.264 6.890 1.00 0.28 O ATOM 836 CB SER A 52 11.801 3.522 7.764 1.00 0.33 C ATOM 837 OG SER A 52 10.684 2.826 8.301 1.00 1.04 O ATOM 0 H SER A 52 9.726 3.896 6.435 1.00 0.30 H new ATOM 0 HA SER A 52 11.219 5.531 8.215 1.00 0.30 H new ATOM 0 HB2 SER A 52 12.211 2.974 6.915 1.00 0.33 H new ATOM 0 HB3 SER A 52 12.592 3.593 8.510 1.00 0.33 H new ATOM 0 HG SER A 52 10.453 2.076 7.714 1.00 1.04 H new ATOM 843 N LEU A 53 12.398 5.260 5.152 1.00 0.28 N ATOM 844 CA LEU A 53 13.403 5.847 4.235 1.00 0.28 C ATOM 845 C LEU A 53 12.959 7.265 3.877 1.00 0.26 C ATOM 846 O LEU A 53 13.754 8.120 3.546 1.00 0.26 O ATOM 847 CB LEU A 53 13.474 4.998 2.960 1.00 0.28 C ATOM 848 CG LEU A 53 14.668 5.441 2.110 1.00 0.29 C ATOM 849 CD1 LEU A 53 15.932 4.693 2.545 1.00 0.44 C ATOM 850 CD2 LEU A 53 14.385 5.134 0.640 1.00 0.40 C ATOM 0 H LEU A 53 11.707 4.655 4.708 1.00 0.28 H new ATOM 0 HA LEU A 53 14.384 5.870 4.710 1.00 0.28 H new ATOM 0 HB2 LEU A 53 13.571 3.944 3.219 1.00 0.28 H new ATOM 0 HB3 LEU A 53 12.551 5.103 2.390 1.00 0.28 H new ATOM 0 HG LEU A 53 14.821 6.512 2.244 1.00 0.29 H new ATOM 0 HD11 LEU A 53 16.775 5.016 1.934 1.00 0.44 H new ATOM 0 HD12 LEU A 53 16.140 4.909 3.593 1.00 0.44 H new ATOM 0 HD13 LEU A 53 15.782 3.621 2.418 1.00 0.44 H new ATOM 0 HD21 LEU A 53 15.234 5.449 0.033 1.00 0.40 H new ATOM 0 HD22 LEU A 53 14.227 4.063 0.516 1.00 0.40 H new ATOM 0 HD23 LEU A 53 13.492 5.672 0.321 1.00 0.40 H new ATOM 862 N LYS A 54 11.700 7.551 4.019 1.00 0.26 N ATOM 863 CA LYS A 54 11.218 8.924 3.750 1.00 0.27 C ATOM 864 C LYS A 54 11.570 9.729 4.979 1.00 0.29 C ATOM 865 O LYS A 54 12.182 10.780 4.923 1.00 0.28 O ATOM 866 CB LYS A 54 9.698 8.875 3.582 1.00 0.30 C ATOM 867 CG LYS A 54 9.190 10.061 2.754 1.00 0.55 C ATOM 868 CD LYS A 54 9.043 11.296 3.637 1.00 0.27 C ATOM 869 CE LYS A 54 8.426 12.428 2.814 1.00 0.36 C ATOM 870 NZ LYS A 54 7.112 12.809 3.403 1.00 1.00 N ATOM 0 H LYS A 54 10.982 6.888 4.311 1.00 0.26 H new ATOM 0 HA LYS A 54 11.659 9.357 2.852 1.00 0.27 H new ATOM 0 HB2 LYS A 54 9.414 7.942 3.096 1.00 0.30 H new ATOM 0 HB3 LYS A 54 9.221 8.882 4.562 1.00 0.30 H new ATOM 0 HG2 LYS A 54 9.883 10.268 1.939 1.00 0.55 H new ATOM 0 HG3 LYS A 54 8.230 9.813 2.301 1.00 0.55 H new ATOM 0 HD2 LYS A 54 8.413 11.070 4.498 1.00 0.27 H new ATOM 0 HD3 LYS A 54 10.016 11.599 4.024 1.00 0.27 H new ATOM 0 HE2 LYS A 54 9.094 13.289 2.801 1.00 0.36 H new ATOM 0 HE3 LYS A 54 8.295 12.111 1.780 1.00 0.36 H new ATOM 0 HZ1 LYS A 54 6.691 13.579 2.844 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 6.476 11.986 3.393 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 7.250 13.128 4.383 1.00 1.00 H new ATOM 884 N ASP A 55 11.215 9.185 6.102 1.00 0.34 N ATOM 885 CA ASP A 55 11.532 9.826 7.389 1.00 0.38 C ATOM 886 C ASP A 55 13.040 10.077 7.426 1.00 0.40 C ATOM 887 O ASP A 55 13.552 10.745 8.303 1.00 0.47 O ATOM 888 CB ASP A 55 11.123 8.874 8.516 1.00 0.43 C ATOM 889 CG ASP A 55 11.899 9.210 9.789 1.00 0.85 C ATOM 890 OD1 ASP A 55 12.037 10.385 10.084 1.00 1.58 O ATOM 891 OD2 ASP A 55 12.338 8.284 10.452 1.00 1.48 O ATOM 0 H ASP A 55 10.707 8.304 6.178 1.00 0.34 H new ATOM 0 HA ASP A 55 11.000 10.770 7.509 1.00 0.38 H new ATOM 0 HB2 ASP A 55 10.052 8.955 8.701 1.00 0.43 H new ATOM 0 HB3 ASP A 55 11.319 7.843 8.222 1.00 0.43 H new ATOM 896 N ARG A 56 13.755 9.549 6.461 1.00 0.36 N ATOM 897 CA ARG A 56 15.221 9.758 6.422 1.00 0.40 C ATOM 898 C ARG A 56 15.511 11.224 6.108 1.00 0.40 C ATOM 899 O ARG A 56 16.235 11.889 6.822 1.00 0.43 O ATOM 900 CB ARG A 56 15.805 8.875 5.327 1.00 0.44 C ATOM 901 CG ARG A 56 17.270 8.582 5.631 1.00 0.81 C ATOM 902 CD ARG A 56 17.366 7.335 6.514 1.00 0.67 C ATOM 903 NE ARG A 56 18.693 7.316 7.196 1.00 1.00 N ATOM 904 CZ ARG A 56 18.841 7.821 8.396 1.00 1.24 C ATOM 905 NH1 ARG A 56 17.825 8.342 9.034 1.00 1.52 N ATOM 906 NH2 ARG A 56 20.016 7.804 8.959 1.00 1.69 N ATOM 0 H ARG A 56 13.378 8.983 5.701 1.00 0.36 H new ATOM 0 HA ARG A 56 15.667 9.502 7.383 1.00 0.40 H new ATOM 0 HB2 ARG A 56 15.244 7.943 5.260 1.00 0.44 H new ATOM 0 HB3 ARG A 56 15.716 9.371 4.360 1.00 0.44 H new ATOM 0 HG2 ARG A 56 17.822 8.428 4.704 1.00 0.81 H new ATOM 0 HG3 ARG A 56 17.726 9.434 6.135 1.00 0.81 H new ATOM 0 HD2 ARG A 56 16.564 7.336 7.253 1.00 0.67 H new ATOM 0 HD3 ARG A 56 17.242 6.437 5.909 1.00 0.67 H new ATOM 0 HE ARG A 56 19.496 6.904 6.721 1.00 1.00 H new ATOM 0 HH11 ARG A 56 16.903 8.359 8.598 1.00 1.52 H new ATOM 0 HH12 ARG A 56 17.955 8.732 9.968 1.00 1.52 H new ATOM 0 HH21 ARG A 56 20.812 7.400 8.466 1.00 1.69 H new ATOM 0 HH22 ARG A 56 20.140 8.195 9.893 1.00 1.69 H new ATOM 920 N LEU A 57 14.944 11.740 5.051 1.00 0.38 N ATOM 921 CA LEU A 57 15.187 13.167 4.718 1.00 0.42 C ATOM 922 C LEU A 57 14.018 13.750 3.932 1.00 0.39 C ATOM 923 O LEU A 57 13.904 14.952 3.808 1.00 0.41 O ATOM 924 CB LEU A 57 16.472 13.326 3.897 1.00 0.51 C ATOM 925 CG LEU A 57 16.826 12.018 3.189 1.00 1.11 C ATOM 926 CD1 LEU A 57 15.680 11.610 2.265 1.00 1.63 C ATOM 927 CD2 LEU A 57 18.096 12.219 2.355 1.00 1.66 C ATOM 0 H LEU A 57 14.329 11.238 4.411 1.00 0.38 H new ATOM 0 HA LEU A 57 15.292 13.707 5.659 1.00 0.42 H new ATOM 0 HB2 LEU A 57 16.344 14.120 3.162 1.00 0.51 H new ATOM 0 HB3 LEU A 57 17.292 13.625 4.550 1.00 0.51 H new ATOM 0 HG LEU A 57 16.992 11.238 3.932 1.00 1.11 H new ATOM 0 HD11 LEU A 57 15.934 10.677 1.761 1.00 1.63 H new ATOM 0 HD12 LEU A 57 14.772 11.470 2.851 1.00 1.63 H new ATOM 0 HD13 LEU A 57 15.516 12.391 1.522 1.00 1.63 H new ATOM 0 HD21 LEU A 57 18.350 11.288 1.849 1.00 1.66 H new ATOM 0 HD22 LEU A 57 17.925 12.999 1.614 1.00 1.66 H new ATOM 0 HD23 LEU A 57 18.917 12.513 3.008 1.00 1.66 H new ATOM 939 N GLY A 58 13.127 12.932 3.429 1.00 0.39 N ATOM 940 CA GLY A 58 11.956 13.473 2.676 1.00 0.38 C ATOM 941 C GLY A 58 12.413 14.214 1.418 1.00 0.33 C ATOM 942 O GLY A 58 11.873 14.028 0.345 1.00 0.31 O ATOM 0 H GLY A 58 13.160 11.916 3.507 1.00 0.39 H new ATOM 0 HA2 GLY A 58 11.287 12.658 2.400 1.00 0.38 H new ATOM 0 HA3 GLY A 58 11.388 14.149 3.315 1.00 0.38 H new ATOM 946 N ASP A 59 13.383 15.068 1.545 1.00 0.37 N ATOM 947 CA ASP A 59 13.858 15.843 0.368 1.00 0.38 C ATOM 948 C ASP A 59 14.641 14.934 -0.573 1.00 0.30 C ATOM 949 O ASP A 59 14.506 15.012 -1.774 1.00 0.32 O ATOM 950 CB ASP A 59 14.753 16.989 0.836 1.00 0.47 C ATOM 951 CG ASP A 59 14.262 18.303 0.225 1.00 0.57 C ATOM 952 OD1 ASP A 59 14.559 18.542 -0.934 1.00 1.38 O ATOM 953 OD2 ASP A 59 13.597 19.048 0.927 1.00 1.06 O ATOM 0 H ASP A 59 13.872 15.265 2.418 1.00 0.37 H new ATOM 0 HA ASP A 59 12.997 16.248 -0.163 1.00 0.38 H new ATOM 0 HB2 ASP A 59 14.739 17.054 1.924 1.00 0.47 H new ATOM 0 HB3 ASP A 59 15.785 16.802 0.541 1.00 0.47 H new ATOM 958 N GLY A 60 15.467 14.081 -0.040 1.00 0.26 N ATOM 959 CA GLY A 60 16.265 13.184 -0.912 1.00 0.24 C ATOM 960 C GLY A 60 15.470 11.919 -1.224 1.00 0.23 C ATOM 961 O GLY A 60 16.033 10.902 -1.562 1.00 0.24 O ATOM 0 H GLY A 60 15.623 13.967 0.962 1.00 0.26 H new ATOM 0 HA2 GLY A 60 16.524 13.698 -1.837 1.00 0.24 H new ATOM 0 HA3 GLY A 60 17.202 12.923 -0.420 1.00 0.24 H new ATOM 965 N VAL A 61 14.169 11.967 -1.129 1.00 0.22 N ATOM 966 CA VAL A 61 13.348 10.762 -1.431 1.00 0.22 C ATOM 967 C VAL A 61 12.004 11.241 -1.982 1.00 0.22 C ATOM 968 O VAL A 61 11.398 12.150 -1.452 1.00 0.28 O ATOM 969 CB VAL A 61 13.107 9.948 -0.153 1.00 0.25 C ATOM 970 CG1 VAL A 61 11.782 9.182 -0.268 1.00 0.34 C ATOM 971 CG2 VAL A 61 14.244 8.943 0.042 1.00 0.38 C ATOM 0 H VAL A 61 13.638 12.793 -0.854 1.00 0.22 H new ATOM 0 HA VAL A 61 13.865 10.130 -2.153 1.00 0.22 H new ATOM 0 HB VAL A 61 13.067 10.629 0.697 1.00 0.25 H new ATOM 0 HG11 VAL A 61 11.615 8.605 0.642 1.00 0.34 H new ATOM 0 HG12 VAL A 61 10.964 9.889 -0.405 1.00 0.34 H new ATOM 0 HG13 VAL A 61 11.825 8.507 -1.123 1.00 0.34 H new ATOM 0 HG21 VAL A 61 14.069 8.367 0.951 1.00 0.38 H new ATOM 0 HG22 VAL A 61 14.284 8.268 -0.813 1.00 0.38 H new ATOM 0 HG23 VAL A 61 15.191 9.477 0.128 1.00 0.38 H new ATOM 981 N GLN A 62 11.565 10.666 -3.066 1.00 0.20 N ATOM 982 CA GLN A 62 10.291 11.117 -3.691 1.00 0.21 C ATOM 983 C GLN A 62 9.419 9.936 -4.101 1.00 0.22 C ATOM 984 O GLN A 62 9.888 8.849 -4.355 1.00 0.21 O ATOM 985 CB GLN A 62 10.624 11.904 -4.949 1.00 0.23 C ATOM 986 CG GLN A 62 10.509 13.395 -4.674 1.00 0.34 C ATOM 987 CD GLN A 62 9.036 13.810 -4.687 1.00 0.50 C ATOM 988 OE1 GLN A 62 8.159 12.974 -4.764 1.00 1.14 O ATOM 989 NE2 GLN A 62 8.727 15.075 -4.615 1.00 1.31 N ATOM 0 H GLN A 62 12.036 9.900 -3.548 1.00 0.20 H new ATOM 0 HA GLN A 62 9.750 11.720 -2.962 1.00 0.21 H new ATOM 0 HB2 GLN A 62 11.634 11.664 -5.282 1.00 0.23 H new ATOM 0 HB3 GLN A 62 9.947 11.621 -5.755 1.00 0.23 H new ATOM 0 HG2 GLN A 62 10.955 13.632 -3.708 1.00 0.34 H new ATOM 0 HG3 GLN A 62 11.062 13.957 -5.427 1.00 0.34 H new ATOM 0 HE21 GLN A 62 9.464 15.777 -4.550 1.00 1.31 H new ATOM 0 HE22 GLN A 62 7.748 15.362 -4.623 1.00 1.31 H new ATOM 998 N LEU A 63 8.144 10.173 -4.190 1.00 0.25 N ATOM 999 CA LEU A 63 7.195 9.107 -4.609 1.00 0.26 C ATOM 1000 C LEU A 63 6.989 9.208 -6.123 1.00 0.29 C ATOM 1001 O LEU A 63 6.375 10.142 -6.601 1.00 0.34 O ATOM 1002 CB LEU A 63 5.853 9.332 -3.905 1.00 0.29 C ATOM 1003 CG LEU A 63 5.099 8.009 -3.734 1.00 0.29 C ATOM 1004 CD1 LEU A 63 5.268 7.520 -2.296 1.00 0.49 C ATOM 1005 CD2 LEU A 63 3.609 8.226 -4.024 1.00 0.48 C ATOM 0 H LEU A 63 7.711 11.074 -3.987 1.00 0.25 H new ATOM 0 HA LEU A 63 7.589 8.125 -4.347 1.00 0.26 H new ATOM 0 HB2 LEU A 63 6.021 9.789 -2.930 1.00 0.29 H new ATOM 0 HB3 LEU A 63 5.246 10.029 -4.483 1.00 0.29 H new ATOM 0 HG LEU A 63 5.498 7.268 -4.427 1.00 0.29 H new ATOM 0 HD11 LEU A 63 4.734 6.579 -2.167 1.00 0.49 H new ATOM 0 HD12 LEU A 63 6.327 7.369 -2.085 1.00 0.49 H new ATOM 0 HD13 LEU A 63 4.864 8.264 -1.609 1.00 0.49 H new ATOM 0 HD21 LEU A 63 3.074 7.284 -3.902 1.00 0.48 H new ATOM 0 HD22 LEU A 63 3.207 8.964 -3.330 1.00 0.48 H new ATOM 0 HD23 LEU A 63 3.486 8.584 -5.046 1.00 0.48 H new ATOM 1017 N VAL A 64 7.487 8.267 -6.884 1.00 0.29 N ATOM 1018 CA VAL A 64 7.301 8.342 -8.365 1.00 0.33 C ATOM 1019 C VAL A 64 6.109 7.487 -8.779 1.00 0.32 C ATOM 1020 O VAL A 64 5.513 7.716 -9.812 1.00 0.37 O ATOM 1021 CB VAL A 64 8.546 7.857 -9.109 1.00 0.36 C ATOM 1022 CG1 VAL A 64 9.214 9.051 -9.794 1.00 1.12 C ATOM 1023 CG2 VAL A 64 9.527 7.202 -8.135 1.00 1.35 C ATOM 0 H VAL A 64 8.009 7.458 -6.549 1.00 0.29 H new ATOM 0 HA VAL A 64 7.125 9.385 -8.627 1.00 0.33 H new ATOM 0 HB VAL A 64 8.255 7.118 -9.855 1.00 0.36 H new ATOM 0 HG11 VAL A 64 10.103 8.714 -10.327 1.00 1.12 H new ATOM 0 HG12 VAL A 64 8.517 9.502 -10.500 1.00 1.12 H new ATOM 0 HG13 VAL A 64 9.499 9.788 -9.044 1.00 1.12 H new ATOM 0 HG21 VAL A 64 10.408 6.862 -8.679 1.00 1.35 H new ATOM 0 HG22 VAL A 64 9.826 7.926 -7.377 1.00 1.35 H new ATOM 0 HG23 VAL A 64 9.047 6.350 -7.653 1.00 1.35 H new ATOM 1033 N ASN A 65 5.731 6.514 -7.992 1.00 0.28 N ATOM 1034 CA ASN A 65 4.554 5.690 -8.383 1.00 0.29 C ATOM 1035 C ASN A 65 4.188 4.740 -7.245 1.00 0.26 C ATOM 1036 O ASN A 65 5.020 4.357 -6.451 1.00 0.24 O ATOM 1037 CB ASN A 65 4.898 4.884 -9.631 1.00 0.30 C ATOM 1038 CG ASN A 65 3.955 5.275 -10.771 1.00 0.38 C ATOM 1039 OD1 ASN A 65 4.350 5.954 -11.696 1.00 1.20 O ATOM 1040 ND2 ASN A 65 2.714 4.871 -10.740 1.00 0.98 N ATOM 0 H ASN A 65 6.178 6.259 -7.111 1.00 0.28 H new ATOM 0 HA ASN A 65 3.706 6.343 -8.590 1.00 0.29 H new ATOM 0 HB2 ASN A 65 5.932 5.068 -9.922 1.00 0.30 H new ATOM 0 HB3 ASN A 65 4.811 3.818 -9.423 1.00 0.30 H new ATOM 0 HD21 ASN A 65 2.076 5.126 -11.494 1.00 0.98 H new ATOM 0 HD22 ASN A 65 2.383 4.300 -9.962 1.00 0.98 H new ATOM 1047 N VAL A 66 2.941 4.365 -7.161 1.00 0.27 N ATOM 1048 CA VAL A 66 2.497 3.446 -6.077 1.00 0.25 C ATOM 1049 C VAL A 66 1.189 2.782 -6.498 1.00 0.26 C ATOM 1050 O VAL A 66 0.246 3.446 -6.883 1.00 0.29 O ATOM 1051 CB VAL A 66 2.241 4.235 -4.786 1.00 0.28 C ATOM 1052 CG1 VAL A 66 1.640 3.303 -3.733 1.00 0.85 C ATOM 1053 CG2 VAL A 66 3.546 4.820 -4.244 1.00 0.63 C ATOM 0 H VAL A 66 2.205 4.659 -7.803 1.00 0.27 H new ATOM 0 HA VAL A 66 3.273 2.701 -5.903 1.00 0.25 H new ATOM 0 HB VAL A 66 1.552 5.050 -5.008 1.00 0.28 H new ATOM 0 HG11 VAL A 66 1.457 3.861 -2.815 1.00 0.85 H new ATOM 0 HG12 VAL A 66 0.699 2.895 -4.103 1.00 0.85 H new ATOM 0 HG13 VAL A 66 2.334 2.488 -3.530 1.00 0.85 H new ATOM 0 HG21 VAL A 66 3.343 5.376 -3.329 1.00 0.63 H new ATOM 0 HG22 VAL A 66 4.246 4.012 -4.031 1.00 0.63 H new ATOM 0 HG23 VAL A 66 3.980 5.490 -4.986 1.00 0.63 H new ATOM 1063 N GLN A 67 1.125 1.482 -6.428 1.00 0.25 N ATOM 1064 CA GLN A 67 -0.127 0.786 -6.828 1.00 0.27 C ATOM 1065 C GLN A 67 -0.398 -0.396 -5.908 1.00 0.25 C ATOM 1066 O GLN A 67 0.486 -0.933 -5.269 1.00 0.25 O ATOM 1067 CB GLN A 67 -0.023 0.299 -8.272 1.00 0.28 C ATOM 1068 CG GLN A 67 -1.202 -0.627 -8.583 1.00 0.39 C ATOM 1069 CD GLN A 67 -1.345 -0.777 -10.099 1.00 0.60 C ATOM 1070 OE1 GLN A 67 -1.585 0.189 -10.796 1.00 1.07 O ATOM 1071 NE2 GLN A 67 -1.206 -1.954 -10.641 1.00 1.41 N ATOM 0 H GLN A 67 1.882 0.875 -6.113 1.00 0.25 H new ATOM 0 HA GLN A 67 -0.952 1.493 -6.747 1.00 0.27 H new ATOM 0 HB2 GLN A 67 -0.024 1.149 -8.955 1.00 0.28 H new ATOM 0 HB3 GLN A 67 0.918 -0.230 -8.422 1.00 0.28 H new ATOM 0 HG2 GLN A 67 -1.043 -1.603 -8.123 1.00 0.39 H new ATOM 0 HG3 GLN A 67 -2.120 -0.220 -8.159 1.00 0.39 H new ATOM 0 HE21 GLN A 67 -1.005 -2.765 -10.055 1.00 1.41 H new ATOM 0 HE22 GLN A 67 -1.299 -2.065 -11.651 1.00 1.41 H new ATOM 1080 N THR A 68 -1.635 -0.779 -5.850 1.00 0.26 N ATOM 1081 CA THR A 68 -2.051 -1.910 -4.987 1.00 0.27 C ATOM 1082 C THR A 68 -2.761 -2.943 -5.845 1.00 0.30 C ATOM 1083 O THR A 68 -3.389 -2.608 -6.830 1.00 0.43 O ATOM 1084 CB THR A 68 -3.024 -1.386 -3.923 1.00 0.35 C ATOM 1085 OG1 THR A 68 -3.671 -0.221 -4.417 1.00 0.52 O ATOM 1086 CG2 THR A 68 -2.268 -1.038 -2.645 1.00 0.46 C ATOM 0 H THR A 68 -2.394 -0.346 -6.377 1.00 0.26 H new ATOM 0 HA THR A 68 -1.182 -2.359 -4.507 1.00 0.27 H new ATOM 0 HB THR A 68 -3.761 -2.158 -3.701 1.00 0.35 H new ATOM 0 HG1 THR A 68 -4.517 -0.472 -4.842 1.00 0.52 H new ATOM 0 HG21 THR A 68 -2.969 -0.667 -1.897 1.00 0.46 H new ATOM 0 HG22 THR A 68 -1.768 -1.929 -2.264 1.00 0.46 H new ATOM 0 HG23 THR A 68 -1.526 -0.269 -2.859 1.00 0.46 H new ATOM 1094 N GLY A 69 -2.701 -4.193 -5.487 1.00 0.29 N ATOM 1095 CA GLY A 69 -3.419 -5.238 -6.276 1.00 0.38 C ATOM 1096 C GLY A 69 -3.239 -6.578 -5.545 1.00 0.31 C ATOM 1097 O GLY A 69 -2.268 -6.763 -4.852 1.00 0.40 O ATOM 0 H GLY A 69 -2.184 -4.541 -4.679 1.00 0.29 H new ATOM 0 HA2 GLY A 69 -4.477 -4.990 -6.366 1.00 0.38 H new ATOM 0 HA3 GLY A 69 -3.018 -5.297 -7.288 1.00 0.38 H new ATOM 1101 N SER A 70 -4.190 -7.481 -5.622 1.00 0.42 N ATOM 1102 CA SER A 70 -4.052 -8.784 -4.892 1.00 0.34 C ATOM 1103 C SER A 70 -3.493 -9.877 -5.817 1.00 0.32 C ATOM 1104 O SER A 70 -3.625 -9.810 -7.023 1.00 0.33 O ATOM 1105 CB SER A 70 -5.413 -9.219 -4.345 1.00 0.32 C ATOM 1106 OG SER A 70 -6.199 -9.747 -5.406 1.00 0.34 O ATOM 0 H SER A 70 -5.052 -7.373 -6.156 1.00 0.42 H new ATOM 0 HA SER A 70 -3.354 -8.641 -4.067 1.00 0.34 H new ATOM 0 HB2 SER A 70 -5.282 -9.970 -3.566 1.00 0.32 H new ATOM 0 HB3 SER A 70 -5.922 -8.371 -3.887 1.00 0.32 H new ATOM 0 HG SER A 70 -5.808 -9.483 -6.265 1.00 0.34 H new ATOM 1112 N GLU A 71 -2.908 -10.915 -5.251 1.00 0.33 N ATOM 1113 CA GLU A 71 -2.369 -12.028 -6.094 1.00 0.35 C ATOM 1114 C GLU A 71 -2.424 -13.339 -5.325 1.00 0.35 C ATOM 1115 O GLU A 71 -2.659 -13.369 -4.133 1.00 0.33 O ATOM 1116 CB GLU A 71 -0.911 -11.769 -6.477 1.00 0.45 C ATOM 1117 CG GLU A 71 -0.022 -11.763 -5.229 1.00 0.54 C ATOM 1118 CD GLU A 71 0.650 -13.123 -5.080 1.00 0.59 C ATOM 1119 OE1 GLU A 71 1.611 -13.370 -5.788 1.00 1.12 O ATOM 1120 OE2 GLU A 71 0.191 -13.890 -4.260 1.00 1.29 O ATOM 0 H GLU A 71 -2.783 -11.034 -4.246 1.00 0.33 H new ATOM 0 HA GLU A 71 -2.981 -12.084 -6.994 1.00 0.35 H new ATOM 0 HB2 GLU A 71 -0.569 -12.537 -7.171 1.00 0.45 H new ATOM 0 HB3 GLU A 71 -0.829 -10.813 -6.994 1.00 0.45 H new ATOM 0 HG2 GLU A 71 0.732 -10.980 -5.309 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -0.619 -11.541 -4.345 1.00 0.54 H new ATOM 1127 N VAL A 72 -2.223 -14.425 -6.011 1.00 0.43 N ATOM 1128 CA VAL A 72 -2.276 -15.747 -5.341 1.00 0.51 C ATOM 1129 C VAL A 72 -0.892 -16.173 -4.859 1.00 0.58 C ATOM 1130 O VAL A 72 0.103 -15.980 -5.528 1.00 0.93 O ATOM 1131 CB VAL A 72 -2.824 -16.792 -6.313 1.00 0.64 C ATOM 1132 CG1 VAL A 72 -3.752 -17.750 -5.565 1.00 0.49 C ATOM 1133 CG2 VAL A 72 -3.604 -16.093 -7.428 1.00 1.02 C ATOM 0 H VAL A 72 -2.024 -14.453 -7.011 1.00 0.43 H new ATOM 0 HA VAL A 72 -2.932 -15.667 -4.474 1.00 0.51 H new ATOM 0 HB VAL A 72 -1.996 -17.353 -6.746 1.00 0.64 H new ATOM 0 HG11 VAL A 72 -4.142 -18.495 -6.259 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -3.196 -18.249 -4.771 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -4.580 -17.190 -5.131 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -3.995 -16.838 -8.121 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -4.431 -15.530 -6.996 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -2.942 -15.412 -7.963 1.00 1.02 H new ATOM 1143 N ARG A 73 -0.837 -16.791 -3.710 1.00 0.44 N ATOM 1144 CA ARG A 73 0.468 -17.281 -3.181 1.00 0.48 C ATOM 1145 C ARG A 73 0.229 -18.535 -2.337 1.00 0.54 C ATOM 1146 O ARG A 73 -0.225 -18.456 -1.215 1.00 0.55 O ATOM 1147 CB ARG A 73 1.116 -16.202 -2.312 1.00 0.43 C ATOM 1148 CG ARG A 73 2.600 -16.043 -2.648 1.00 0.53 C ATOM 1149 CD ARG A 73 3.120 -14.771 -1.977 1.00 0.62 C ATOM 1150 NE ARG A 73 4.567 -14.595 -2.288 1.00 0.89 N ATOM 1151 CZ ARG A 73 5.454 -15.372 -1.730 1.00 1.42 C ATOM 1152 NH1 ARG A 73 5.074 -16.308 -0.903 1.00 2.23 N ATOM 1153 NH2 ARG A 73 6.721 -15.213 -1.997 1.00 1.70 N ATOM 0 H ARG A 73 -1.643 -16.978 -3.113 1.00 0.44 H new ATOM 0 HA ARG A 73 1.130 -17.515 -4.014 1.00 0.48 H new ATOM 0 HB2 ARG A 73 0.602 -15.253 -2.462 1.00 0.43 H new ATOM 0 HB3 ARG A 73 1.004 -16.462 -1.259 1.00 0.43 H new ATOM 0 HG2 ARG A 73 3.161 -16.910 -2.300 1.00 0.53 H new ATOM 0 HG3 ARG A 73 2.739 -15.985 -3.728 1.00 0.53 H new ATOM 0 HD2 ARG A 73 2.555 -13.907 -2.327 1.00 0.62 H new ATOM 0 HD3 ARG A 73 2.975 -14.832 -0.898 1.00 0.62 H new ATOM 0 HE ARG A 73 4.864 -13.867 -2.937 1.00 0.89 H new ATOM 0 HH11 ARG A 73 4.084 -16.432 -0.693 1.00 2.23 H new ATOM 0 HH12 ARG A 73 5.768 -16.915 -0.467 1.00 2.23 H new ATOM 0 HH21 ARG A 73 7.018 -14.481 -2.642 1.00 1.70 H new ATOM 0 HH22 ARG A 73 7.414 -15.821 -1.561 1.00 1.70 H new ATOM 1167 N ASP A 74 0.537 -19.684 -2.891 1.00 0.60 N ATOM 1168 CA ASP A 74 0.357 -20.981 -2.167 1.00 0.68 C ATOM 1169 C ASP A 74 -1.071 -21.504 -2.358 1.00 0.68 C ATOM 1170 O ASP A 74 -1.652 -22.081 -1.461 1.00 0.69 O ATOM 1171 CB ASP A 74 0.646 -20.805 -0.676 1.00 0.68 C ATOM 1172 CG ASP A 74 1.160 -22.123 -0.096 1.00 0.79 C ATOM 1173 OD1 ASP A 74 0.338 -22.949 0.265 1.00 1.38 O ATOM 1174 OD2 ASP A 74 2.366 -22.284 -0.021 1.00 1.27 O ATOM 0 H ASP A 74 0.913 -19.778 -3.834 1.00 0.60 H new ATOM 0 HA ASP A 74 1.060 -21.704 -2.581 1.00 0.68 H new ATOM 0 HB2 ASP A 74 1.385 -20.018 -0.529 1.00 0.68 H new ATOM 0 HB3 ASP A 74 -0.259 -20.494 -0.154 1.00 0.68 H new ATOM 1179 N ARG A 75 -1.642 -21.302 -3.519 1.00 0.67 N ATOM 1180 CA ARG A 75 -3.034 -21.781 -3.779 1.00 0.69 C ATOM 1181 C ARG A 75 -3.996 -21.039 -2.857 1.00 0.59 C ATOM 1182 O ARG A 75 -5.015 -21.551 -2.438 1.00 0.64 O ATOM 1183 CB ARG A 75 -3.135 -23.299 -3.558 1.00 0.79 C ATOM 1184 CG ARG A 75 -3.286 -23.991 -4.911 1.00 0.87 C ATOM 1185 CD ARG A 75 -2.085 -23.646 -5.789 1.00 0.85 C ATOM 1186 NE ARG A 75 -1.578 -24.882 -6.447 1.00 1.25 N ATOM 1187 CZ ARG A 75 -0.929 -25.774 -5.750 1.00 1.89 C ATOM 1188 NH1 ARG A 75 -0.725 -25.582 -4.475 1.00 2.62 N ATOM 1189 NH2 ARG A 75 -0.485 -26.856 -6.326 1.00 2.29 N ATOM 0 H ARG A 75 -1.200 -20.822 -4.303 1.00 0.67 H new ATOM 0 HA ARG A 75 -3.298 -21.578 -4.817 1.00 0.69 H new ATOM 0 HB2 ARG A 75 -2.245 -23.665 -3.046 1.00 0.79 H new ATOM 0 HB3 ARG A 75 -3.988 -23.530 -2.920 1.00 0.79 H new ATOM 0 HG2 ARG A 75 -3.354 -25.070 -4.775 1.00 0.87 H new ATOM 0 HG3 ARG A 75 -4.209 -23.672 -5.395 1.00 0.87 H new ATOM 0 HD2 ARG A 75 -2.371 -22.912 -6.542 1.00 0.85 H new ATOM 0 HD3 ARG A 75 -1.298 -23.194 -5.185 1.00 0.85 H new ATOM 0 HE ARG A 75 -1.738 -25.031 -7.443 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -1.073 -24.735 -4.025 1.00 2.62 H new ATOM 0 HH12 ARG A 75 -0.218 -26.279 -3.929 1.00 2.62 H new ATOM 0 HH21 ARG A 75 -0.645 -27.006 -7.322 1.00 2.29 H new ATOM 0 HH22 ARG A 75 0.022 -27.553 -5.780 1.00 2.29 H new ATOM 1203 N ARG A 76 -3.683 -19.816 -2.559 1.00 0.46 N ATOM 1204 CA ARG A 76 -4.568 -19.012 -1.683 1.00 0.38 C ATOM 1205 C ARG A 76 -4.427 -17.551 -2.075 1.00 0.34 C ATOM 1206 O ARG A 76 -3.372 -17.117 -2.494 1.00 0.34 O ATOM 1207 CB ARG A 76 -4.151 -19.183 -0.221 1.00 0.37 C ATOM 1208 CG ARG A 76 -5.386 -19.464 0.647 1.00 0.63 C ATOM 1209 CD ARG A 76 -5.974 -20.841 0.311 1.00 1.28 C ATOM 1210 NE ARG A 76 -6.507 -21.469 1.552 1.00 1.50 N ATOM 1211 CZ ARG A 76 -6.928 -22.704 1.526 1.00 2.36 C ATOM 1212 NH1 ARG A 76 -6.874 -23.388 0.416 1.00 3.15 N ATOM 1213 NH2 ARG A 76 -7.402 -23.254 2.610 1.00 2.82 N ATOM 0 H ARG A 76 -2.846 -19.335 -2.887 1.00 0.46 H new ATOM 0 HA ARG A 76 -5.601 -19.342 -1.797 1.00 0.38 H new ATOM 0 HB2 ARG A 76 -3.439 -20.003 -0.131 1.00 0.37 H new ATOM 0 HB3 ARG A 76 -3.647 -18.283 0.130 1.00 0.37 H new ATOM 0 HG2 ARG A 76 -5.113 -19.425 1.702 1.00 0.63 H new ATOM 0 HG3 ARG A 76 -6.137 -18.691 0.483 1.00 0.63 H new ATOM 0 HD2 ARG A 76 -6.769 -20.739 -0.428 1.00 1.28 H new ATOM 0 HD3 ARG A 76 -5.208 -21.478 -0.131 1.00 1.28 H new ATOM 0 HE ARG A 76 -6.543 -20.935 2.420 1.00 1.50 H new ATOM 0 HH11 ARG A 76 -6.503 -22.957 -0.431 1.00 3.15 H new ATOM 0 HH12 ARG A 76 -7.203 -24.353 0.395 1.00 3.15 H new ATOM 0 HH21 ARG A 76 -7.443 -22.719 3.477 1.00 2.82 H new ATOM 0 HH22 ARG A 76 -7.731 -24.219 2.590 1.00 2.82 H new ATOM 1227 N ARG A 77 -5.478 -16.787 -1.979 1.00 0.32 N ATOM 1228 CA ARG A 77 -5.362 -15.369 -2.395 1.00 0.31 C ATOM 1229 C ARG A 77 -4.848 -14.524 -1.260 1.00 0.27 C ATOM 1230 O ARG A 77 -5.190 -14.690 -0.107 1.00 0.29 O ATOM 1231 CB ARG A 77 -6.699 -14.811 -2.869 1.00 0.34 C ATOM 1232 CG ARG A 77 -6.436 -13.750 -3.944 1.00 0.58 C ATOM 1233 CD ARG A 77 -7.594 -12.761 -3.971 1.00 0.47 C ATOM 1234 NE ARG A 77 -7.495 -11.910 -5.188 1.00 1.21 N ATOM 1235 CZ ARG A 77 -8.551 -11.283 -5.631 1.00 1.57 C ATOM 1236 NH1 ARG A 77 -9.694 -11.419 -5.015 1.00 1.85 N ATOM 1237 NH2 ARG A 77 -8.465 -10.525 -6.688 1.00 2.44 N ATOM 0 H ARG A 77 -6.394 -17.078 -1.637 1.00 0.32 H new ATOM 0 HA ARG A 77 -4.657 -15.335 -3.226 1.00 0.31 H new ATOM 0 HB2 ARG A 77 -7.321 -15.611 -3.272 1.00 0.34 H new ATOM 0 HB3 ARG A 77 -7.244 -14.374 -2.032 1.00 0.34 H new ATOM 0 HG2 ARG A 77 -5.502 -13.228 -3.735 1.00 0.58 H new ATOM 0 HG3 ARG A 77 -6.325 -14.224 -4.919 1.00 0.58 H new ATOM 0 HD2 ARG A 77 -8.543 -13.297 -3.966 1.00 0.47 H new ATOM 0 HD3 ARG A 77 -7.575 -12.138 -3.077 1.00 0.47 H new ATOM 0 HE ARG A 77 -6.604 -11.817 -5.675 1.00 1.21 H new ATOM 0 HH11 ARG A 77 -9.761 -12.014 -4.189 1.00 1.85 H new ATOM 0 HH12 ARG A 77 -10.520 -10.930 -5.359 1.00 1.85 H new ATOM 0 HH21 ARG A 77 -7.572 -10.421 -7.170 1.00 2.44 H new ATOM 0 HH22 ARG A 77 -9.291 -10.036 -7.033 1.00 2.44 H new ATOM 1251 N ILE A 78 -3.994 -13.625 -1.613 1.00 0.23 N ATOM 1252 CA ILE A 78 -3.375 -12.736 -0.631 1.00 0.20 C ATOM 1253 C ILE A 78 -3.232 -11.362 -1.266 1.00 0.19 C ATOM 1254 O ILE A 78 -3.213 -11.226 -2.474 1.00 0.21 O ATOM 1255 CB ILE A 78 -2.014 -13.301 -0.279 1.00 0.20 C ATOM 1256 CG1 ILE A 78 -1.285 -12.317 0.573 1.00 0.21 C ATOM 1257 CG2 ILE A 78 -1.196 -13.548 -1.544 1.00 0.23 C ATOM 1258 CD1 ILE A 78 -0.255 -13.042 1.437 1.00 0.23 C ATOM 0 H ILE A 78 -3.693 -13.469 -2.575 1.00 0.23 H new ATOM 0 HA ILE A 78 -3.976 -12.654 0.275 1.00 0.20 H new ATOM 0 HB ILE A 78 -2.151 -14.243 0.251 1.00 0.20 H new ATOM 0 HG12 ILE A 78 -0.790 -11.576 -0.054 1.00 0.21 H new ATOM 0 HG13 ILE A 78 -1.990 -11.778 1.206 1.00 0.21 H new ATOM 0 HG21 ILE A 78 -0.221 -13.954 -1.273 1.00 0.23 H new ATOM 0 HG22 ILE A 78 -1.720 -14.258 -2.183 1.00 0.23 H new ATOM 0 HG23 ILE A 78 -1.062 -12.608 -2.080 1.00 0.23 H new ATOM 0 HD11 ILE A 78 0.274 -12.318 2.057 1.00 0.23 H new ATOM 0 HD12 ILE A 78 -0.761 -13.766 2.076 1.00 0.23 H new ATOM 0 HD13 ILE A 78 0.458 -13.560 0.796 1.00 0.23 H new ATOM 1270 N SER A 79 -3.188 -10.345 -0.478 1.00 0.20 N ATOM 1271 CA SER A 79 -3.115 -8.987 -1.053 1.00 0.22 C ATOM 1272 C SER A 79 -1.658 -8.583 -1.286 1.00 0.19 C ATOM 1273 O SER A 79 -0.746 -9.138 -0.706 1.00 0.22 O ATOM 1274 CB SER A 79 -3.762 -8.011 -0.075 1.00 0.28 C ATOM 1275 OG SER A 79 -2.867 -7.757 1.000 1.00 0.74 O ATOM 0 H SER A 79 -3.199 -10.391 0.541 1.00 0.20 H new ATOM 0 HA SER A 79 -3.637 -8.970 -2.010 1.00 0.22 H new ATOM 0 HB2 SER A 79 -4.010 -7.080 -0.584 1.00 0.28 H new ATOM 0 HB3 SER A 79 -4.696 -8.425 0.305 1.00 0.28 H new ATOM 0 HG SER A 79 -2.541 -8.607 1.362 1.00 0.74 H new ATOM 1281 N TYR A 80 -1.442 -7.591 -2.112 1.00 0.19 N ATOM 1282 CA TYR A 80 -0.047 -7.131 -2.349 1.00 0.25 C ATOM 1283 C TYR A 80 -0.027 -5.637 -2.637 1.00 0.22 C ATOM 1284 O TYR A 80 -1.010 -5.054 -3.049 1.00 0.21 O ATOM 1285 CB TYR A 80 0.648 -7.947 -3.468 1.00 0.40 C ATOM 1286 CG TYR A 80 0.171 -7.565 -4.857 1.00 0.93 C ATOM 1287 CD1 TYR A 80 0.551 -6.345 -5.436 1.00 1.68 C ATOM 1288 CD2 TYR A 80 -0.634 -8.452 -5.586 1.00 1.82 C ATOM 1289 CE1 TYR A 80 0.114 -6.021 -6.728 1.00 2.66 C ATOM 1290 CE2 TYR A 80 -1.060 -8.113 -6.879 1.00 2.78 C ATOM 1291 CZ TYR A 80 -0.689 -6.902 -7.441 1.00 3.08 C ATOM 1292 OH TYR A 80 -1.112 -6.574 -8.713 1.00 4.16 O ATOM 0 H TYR A 80 -2.164 -7.087 -2.626 1.00 0.19 H new ATOM 0 HA TYR A 80 0.528 -7.308 -1.440 1.00 0.25 H new ATOM 0 HB2 TYR A 80 1.726 -7.797 -3.405 1.00 0.40 H new ATOM 0 HB3 TYR A 80 0.464 -9.009 -3.305 1.00 0.40 H new ATOM 0 HD1 TYR A 80 1.178 -5.657 -4.888 1.00 1.68 H new ATOM 0 HD2 TYR A 80 -0.926 -9.397 -5.152 1.00 1.82 H new ATOM 0 HE1 TYR A 80 0.404 -5.080 -7.172 1.00 2.66 H new ATOM 0 HE2 TYR A 80 -1.679 -8.798 -7.438 1.00 2.78 H new ATOM 0 HH TYR A 80 -1.664 -7.300 -9.071 1.00 4.16 H new ATOM 1302 N ILE A 81 1.101 -5.018 -2.394 1.00 0.25 N ATOM 1303 CA ILE A 81 1.228 -3.550 -2.617 1.00 0.27 C ATOM 1304 C ILE A 81 2.459 -3.244 -3.448 1.00 0.25 C ATOM 1305 O ILE A 81 3.517 -3.813 -3.258 1.00 0.26 O ATOM 1306 CB ILE A 81 1.355 -2.819 -1.280 1.00 0.34 C ATOM 1307 CG1 ILE A 81 1.343 -1.308 -1.520 1.00 0.76 C ATOM 1308 CG2 ILE A 81 2.678 -3.198 -0.607 1.00 0.92 C ATOM 1309 CD1 ILE A 81 1.499 -0.585 -0.186 1.00 0.69 C ATOM 0 H ILE A 81 1.945 -5.473 -2.048 1.00 0.25 H new ATOM 0 HA ILE A 81 0.334 -3.213 -3.142 1.00 0.27 H new ATOM 0 HB ILE A 81 0.519 -3.102 -0.640 1.00 0.34 H new ATOM 0 HG12 ILE A 81 2.152 -1.029 -2.195 1.00 0.76 H new ATOM 0 HG13 ILE A 81 0.411 -1.012 -2.001 1.00 0.76 H new ATOM 0 HG21 ILE A 81 2.765 -2.675 0.345 1.00 0.92 H new ATOM 0 HG22 ILE A 81 2.703 -4.274 -0.434 1.00 0.92 H new ATOM 0 HG23 ILE A 81 3.509 -2.915 -1.253 1.00 0.92 H new ATOM 0 HD11 ILE A 81 1.491 0.492 -0.353 1.00 0.69 H new ATOM 0 HD12 ILE A 81 0.675 -0.856 0.473 1.00 0.69 H new ATOM 0 HD13 ILE A 81 2.443 -0.874 0.276 1.00 0.69 H new ATOM 1321 N LEU A 82 2.316 -2.331 -4.357 1.00 0.25 N ATOM 1322 CA LEU A 82 3.449 -1.929 -5.220 1.00 0.25 C ATOM 1323 C LEU A 82 3.846 -0.503 -4.842 1.00 0.25 C ATOM 1324 O LEU A 82 3.016 0.385 -4.850 1.00 0.29 O ATOM 1325 CB LEU A 82 2.968 -1.957 -6.663 1.00 0.29 C ATOM 1326 CG LEU A 82 2.204 -3.249 -6.923 1.00 0.32 C ATOM 1327 CD1 LEU A 82 1.771 -3.293 -8.394 1.00 0.36 C ATOM 1328 CD2 LEU A 82 3.112 -4.449 -6.617 1.00 0.32 C ATOM 0 H LEU A 82 1.443 -1.836 -4.542 1.00 0.25 H new ATOM 0 HA LEU A 82 4.302 -2.597 -5.098 1.00 0.25 H new ATOM 0 HB2 LEU A 82 2.327 -1.098 -6.860 1.00 0.29 H new ATOM 0 HB3 LEU A 82 3.818 -1.883 -7.342 1.00 0.29 H new ATOM 0 HG LEU A 82 1.323 -3.290 -6.283 1.00 0.32 H new ATOM 0 HD11 LEU A 82 1.224 -4.216 -8.585 1.00 0.36 H new ATOM 0 HD12 LEU A 82 1.129 -2.439 -8.610 1.00 0.36 H new ATOM 0 HD13 LEU A 82 2.652 -3.255 -9.034 1.00 0.36 H new ATOM 0 HD21 LEU A 82 2.567 -5.374 -6.803 1.00 0.32 H new ATOM 0 HD22 LEU A 82 3.993 -4.412 -7.258 1.00 0.32 H new ATOM 0 HD23 LEU A 82 3.422 -4.414 -5.573 1.00 0.32 H new ATOM 1340 N LEU A 83 5.088 -0.268 -4.486 1.00 0.22 N ATOM 1341 CA LEU A 83 5.493 1.111 -4.083 1.00 0.23 C ATOM 1342 C LEU A 83 6.772 1.526 -4.801 1.00 0.21 C ATOM 1343 O LEU A 83 7.778 0.849 -4.751 1.00 0.20 O ATOM 1344 CB LEU A 83 5.728 1.147 -2.575 1.00 0.23 C ATOM 1345 CG LEU A 83 6.252 2.523 -2.164 1.00 0.52 C ATOM 1346 CD1 LEU A 83 5.523 2.990 -0.903 1.00 0.52 C ATOM 1347 CD2 LEU A 83 7.748 2.429 -1.875 1.00 0.98 C ATOM 0 H LEU A 83 5.830 -0.967 -4.458 1.00 0.22 H new ATOM 0 HA LEU A 83 4.697 1.804 -4.355 1.00 0.23 H new ATOM 0 HB2 LEU A 83 4.799 0.929 -2.048 1.00 0.23 H new ATOM 0 HB3 LEU A 83 6.444 0.376 -2.291 1.00 0.23 H new ATOM 0 HG LEU A 83 6.078 3.234 -2.971 1.00 0.52 H new ATOM 0 HD11 LEU A 83 5.896 3.971 -0.609 1.00 0.52 H new ATOM 0 HD12 LEU A 83 4.453 3.054 -1.104 1.00 0.52 H new ATOM 0 HD13 LEU A 83 5.699 2.278 -0.096 1.00 0.52 H new ATOM 0 HD21 LEU A 83 8.124 3.409 -1.582 1.00 0.98 H new ATOM 0 HD22 LEU A 83 7.918 1.718 -1.067 1.00 0.98 H new ATOM 0 HD23 LEU A 83 8.271 2.093 -2.770 1.00 0.98 H new ATOM 1359 N ARG A 84 6.723 2.656 -5.452 1.00 0.22 N ATOM 1360 CA ARG A 84 7.920 3.165 -6.175 1.00 0.21 C ATOM 1361 C ARG A 84 8.575 4.279 -5.368 1.00 0.21 C ATOM 1362 O ARG A 84 8.038 4.745 -4.385 1.00 0.23 O ATOM 1363 CB ARG A 84 7.528 3.669 -7.563 1.00 0.23 C ATOM 1364 CG ARG A 84 8.568 3.176 -8.569 1.00 0.25 C ATOM 1365 CD ARG A 84 8.303 3.769 -9.954 1.00 0.31 C ATOM 1366 NE ARG A 84 9.429 3.420 -10.867 1.00 0.40 N ATOM 1367 CZ ARG A 84 9.341 3.685 -12.144 1.00 0.48 C ATOM 1368 NH1 ARG A 84 8.270 4.261 -12.619 1.00 0.49 N ATOM 1369 NH2 ARG A 84 10.324 3.376 -12.944 1.00 0.58 N ATOM 0 H ARG A 84 5.898 3.252 -5.514 1.00 0.22 H new ATOM 0 HA ARG A 84 8.635 2.351 -6.296 1.00 0.21 H new ATOM 0 HB2 ARG A 84 6.537 3.304 -7.833 1.00 0.23 H new ATOM 0 HB3 ARG A 84 7.480 4.758 -7.571 1.00 0.23 H new ATOM 0 HG2 ARG A 84 9.567 3.455 -8.233 1.00 0.25 H new ATOM 0 HG3 ARG A 84 8.542 2.088 -8.623 1.00 0.25 H new ATOM 0 HD2 ARG A 84 7.364 3.384 -10.353 1.00 0.31 H new ATOM 0 HD3 ARG A 84 8.199 4.852 -9.884 1.00 0.31 H new ATOM 0 HE ARG A 84 10.268 2.975 -10.495 1.00 0.40 H new ATOM 0 HH11 ARG A 84 7.502 4.504 -11.994 1.00 0.49 H new ATOM 0 HH12 ARG A 84 8.201 4.468 -13.615 1.00 0.49 H new ATOM 0 HH21 ARG A 84 11.162 2.927 -12.573 1.00 0.58 H new ATOM 0 HH22 ARG A 84 10.255 3.583 -13.940 1.00 0.58 H new ATOM 1383 N LEU A 85 9.722 4.727 -5.792 1.00 0.20 N ATOM 1384 CA LEU A 85 10.383 5.844 -5.037 1.00 0.21 C ATOM 1385 C LEU A 85 11.425 6.541 -5.897 1.00 0.21 C ATOM 1386 O LEU A 85 12.063 5.921 -6.699 1.00 0.22 O ATOM 1387 CB LEU A 85 11.046 5.300 -3.772 1.00 0.23 C ATOM 1388 CG LEU A 85 10.921 6.321 -2.637 1.00 0.53 C ATOM 1389 CD1 LEU A 85 9.554 6.202 -1.955 1.00 1.39 C ATOM 1390 CD2 LEU A 85 12.014 6.059 -1.604 1.00 0.94 C ATOM 0 H LEU A 85 10.227 4.383 -6.609 1.00 0.20 H new ATOM 0 HA LEU A 85 9.616 6.569 -4.765 1.00 0.21 H new ATOM 0 HB2 LEU A 85 10.577 4.360 -3.481 1.00 0.23 H new ATOM 0 HB3 LEU A 85 12.097 5.085 -3.965 1.00 0.23 H new ATOM 0 HG LEU A 85 11.024 7.323 -3.054 1.00 0.53 H new ATOM 0 HD11 LEU A 85 9.483 6.935 -1.151 1.00 1.39 H new ATOM 0 HD12 LEU A 85 8.766 6.387 -2.685 1.00 1.39 H new ATOM 0 HD13 LEU A 85 9.439 5.200 -1.543 1.00 1.39 H new ATOM 0 HD21 LEU A 85 11.930 6.783 -0.794 1.00 0.94 H new ATOM 0 HD22 LEU A 85 11.902 5.051 -1.203 1.00 0.94 H new ATOM 0 HD23 LEU A 85 12.992 6.155 -2.076 1.00 0.94 H new ATOM 1402 N LYS A 86 11.571 7.837 -5.739 1.00 0.22 N ATOM 1403 CA LYS A 86 12.559 8.606 -6.564 1.00 0.24 C ATOM 1404 C LYS A 86 13.511 9.392 -5.645 1.00 0.23 C ATOM 1405 O LYS A 86 13.103 10.010 -4.694 1.00 0.28 O ATOM 1406 CB LYS A 86 11.756 9.553 -7.485 1.00 0.27 C ATOM 1407 CG LYS A 86 12.564 10.771 -7.947 1.00 0.38 C ATOM 1408 CD LYS A 86 13.810 10.317 -8.676 1.00 0.72 C ATOM 1409 CE LYS A 86 14.046 11.211 -9.893 1.00 0.72 C ATOM 1410 NZ LYS A 86 15.305 10.795 -10.571 1.00 1.42 N ATOM 0 H LYS A 86 11.044 8.398 -5.069 1.00 0.22 H new ATOM 0 HA LYS A 86 13.172 7.937 -7.168 1.00 0.24 H new ATOM 0 HB2 LYS A 86 11.416 8.998 -8.359 1.00 0.27 H new ATOM 0 HB3 LYS A 86 10.865 9.894 -6.957 1.00 0.27 H new ATOM 0 HG2 LYS A 86 11.956 11.394 -8.602 1.00 0.38 H new ATOM 0 HG3 LYS A 86 12.838 11.384 -7.088 1.00 0.38 H new ATOM 0 HD2 LYS A 86 14.670 10.360 -8.008 1.00 0.72 H new ATOM 0 HD3 LYS A 86 13.702 9.279 -8.990 1.00 0.72 H new ATOM 0 HE2 LYS A 86 13.206 11.135 -10.583 1.00 0.72 H new ATOM 0 HE3 LYS A 86 14.113 12.254 -9.585 1.00 0.72 H new ATOM 0 HZ1 LYS A 86 15.469 11.401 -11.400 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 16.102 10.889 -9.910 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 15.224 9.804 -10.877 1.00 1.42 H new ATOM 1424 N ARG A 87 14.782 9.376 -5.943 1.00 0.24 N ATOM 1425 CA ARG A 87 15.754 10.147 -5.097 1.00 0.24 C ATOM 1426 C ARG A 87 15.988 11.528 -5.711 1.00 0.26 C ATOM 1427 O ARG A 87 16.180 11.668 -6.901 1.00 0.28 O ATOM 1428 CB ARG A 87 17.096 9.424 -5.009 1.00 0.27 C ATOM 1429 CG ARG A 87 16.920 8.071 -4.309 1.00 0.62 C ATOM 1430 CD ARG A 87 16.621 8.279 -2.816 1.00 0.43 C ATOM 1431 NE ARG A 87 16.967 7.036 -2.067 1.00 0.48 N ATOM 1432 CZ ARG A 87 17.256 7.095 -0.794 1.00 0.80 C ATOM 1433 NH1 ARG A 87 17.243 8.241 -0.169 1.00 1.64 N ATOM 1434 NH2 ARG A 87 17.557 6.004 -0.144 1.00 0.86 N ATOM 0 H ARG A 87 15.192 8.869 -6.727 1.00 0.24 H new ATOM 0 HA ARG A 87 15.330 10.240 -4.097 1.00 0.24 H new ATOM 0 HB2 ARG A 87 17.504 9.275 -6.009 1.00 0.27 H new ATOM 0 HB3 ARG A 87 17.812 10.036 -4.461 1.00 0.27 H new ATOM 0 HG2 ARG A 87 16.107 7.515 -4.776 1.00 0.62 H new ATOM 0 HG3 ARG A 87 17.824 7.473 -4.426 1.00 0.62 H new ATOM 0 HD2 ARG A 87 17.197 9.121 -2.432 1.00 0.43 H new ATOM 0 HD3 ARG A 87 15.568 8.522 -2.674 1.00 0.43 H new ATOM 0 HE ARG A 87 16.978 6.138 -2.550 1.00 0.48 H new ATOM 0 HH11 ARG A 87 17.007 9.095 -0.674 1.00 1.64 H new ATOM 0 HH12 ARG A 87 17.469 8.283 0.825 1.00 1.64 H new ATOM 0 HH21 ARG A 87 17.566 5.107 -0.630 1.00 0.86 H new ATOM 0 HH22 ARG A 87 17.783 6.048 0.850 1.00 0.86 H new ATOM 1448 N VAL A 88 16.002 12.542 -4.891 1.00 0.27 N ATOM 1449 CA VAL A 88 16.249 13.927 -5.397 1.00 0.30 C ATOM 1450 C VAL A 88 17.473 14.498 -4.690 1.00 0.31 C ATOM 1451 O VAL A 88 17.875 15.621 -4.923 1.00 0.35 O ATOM 1452 CB VAL A 88 15.031 14.803 -5.111 1.00 0.31 C ATOM 1453 CG1 VAL A 88 15.343 16.255 -5.479 1.00 0.49 C ATOM 1454 CG2 VAL A 88 13.845 14.310 -5.941 1.00 0.63 C ATOM 0 H VAL A 88 15.852 12.473 -3.884 1.00 0.27 H new ATOM 0 HA VAL A 88 16.423 13.903 -6.473 1.00 0.30 H new ATOM 0 HB VAL A 88 14.784 14.745 -4.051 1.00 0.31 H new ATOM 0 HG11 VAL A 88 14.472 16.878 -5.274 1.00 0.49 H new ATOM 0 HG12 VAL A 88 16.188 16.607 -4.887 1.00 0.49 H new ATOM 0 HG13 VAL A 88 15.591 16.316 -6.539 1.00 0.49 H new ATOM 0 HG21 VAL A 88 12.975 14.934 -5.738 1.00 0.63 H new ATOM 0 HG22 VAL A 88 14.094 14.367 -7.001 1.00 0.63 H new ATOM 0 HG23 VAL A 88 13.620 13.277 -5.676 1.00 0.63 H new ATOM 1464 N TYR A 89 18.078 13.722 -3.834 1.00 0.31 N ATOM 1465 CA TYR A 89 19.286 14.205 -3.116 1.00 0.37 C ATOM 1466 C TYR A 89 19.768 13.127 -2.145 1.00 0.49 C ATOM 1467 O TYR A 89 19.183 12.055 -2.142 1.00 1.12 O ATOM 1468 CB TYR A 89 18.951 15.482 -2.339 1.00 0.35 C ATOM 1469 CG TYR A 89 19.727 16.640 -2.920 1.00 0.51 C ATOM 1470 CD1 TYR A 89 21.121 16.679 -2.798 1.00 1.13 C ATOM 1471 CD2 TYR A 89 19.054 17.677 -3.581 1.00 1.46 C ATOM 1472 CE1 TYR A 89 21.843 17.751 -3.334 1.00 1.28 C ATOM 1473 CE2 TYR A 89 19.776 18.749 -4.118 1.00 1.76 C ATOM 1474 CZ TYR A 89 21.170 18.787 -3.994 1.00 1.27 C ATOM 1475 OH TYR A 89 21.882 19.845 -4.523 1.00 1.67 O ATOM 1476 OXT TYR A 89 20.714 13.389 -1.421 1.00 1.00 O ATOM 0 H TYR A 89 17.786 12.773 -3.602 1.00 0.31 H new ATOM 0 HA TYR A 89 20.072 14.421 -3.839 1.00 0.37 H new ATOM 0 HB2 TYR A 89 17.881 15.683 -2.392 1.00 0.35 H new ATOM 0 HB3 TYR A 89 19.199 15.356 -1.285 1.00 0.35 H new ATOM 0 HD1 TYR A 89 21.640 15.880 -2.289 1.00 1.13 H new ATOM 0 HD2 TYR A 89 17.979 17.649 -3.676 1.00 1.46 H new ATOM 0 HE1 TYR A 89 22.918 17.780 -3.239 1.00 1.28 H new ATOM 0 HE2 TYR A 89 19.258 19.547 -4.628 1.00 1.76 H new ATOM 0 HH TYR A 89 21.264 20.476 -4.948 1.00 1.67 H new ATOM 1576 N ASN B 6 -15.715 9.943 1.051 1.00 0.33 N ATOM 1577 CA ASN B 6 -16.040 8.883 2.027 1.00 0.35 C ATOM 1578 C ASN B 6 -14.770 8.419 2.747 1.00 0.29 C ATOM 1579 O ASN B 6 -14.068 7.551 2.264 1.00 0.32 O ATOM 1580 CB ASN B 6 -16.706 7.691 1.322 1.00 0.52 C ATOM 1581 CG ASN B 6 -17.959 7.284 2.101 1.00 0.62 C ATOM 1582 OD1 ASN B 6 -18.003 6.225 2.696 1.00 1.46 O ATOM 1583 ND2 ASN B 6 -18.989 8.085 2.125 1.00 0.99 N ATOM 0 HA ASN B 6 -16.735 9.291 2.761 1.00 0.35 H new ATOM 0 HB2 ASN B 6 -16.970 7.959 0.299 1.00 0.52 H new ATOM 0 HB3 ASN B 6 -16.011 6.853 1.263 1.00 0.52 H new ATOM 0 HD21 ASN B 6 -19.828 7.822 2.642 1.00 0.99 H new ATOM 0 HD22 ASN B 6 -18.955 8.974 1.627 1.00 0.99 H new ATOM 1590 N GLU B 7 -14.441 8.972 3.878 1.00 0.28 N ATOM 1591 CA GLU B 7 -13.198 8.523 4.569 1.00 0.30 C ATOM 1592 C GLU B 7 -13.544 7.373 5.511 1.00 0.32 C ATOM 1593 O GLU B 7 -14.223 7.552 6.503 1.00 0.37 O ATOM 1594 CB GLU B 7 -12.612 9.682 5.368 1.00 0.36 C ATOM 1595 CG GLU B 7 -13.628 10.150 6.409 1.00 0.53 C ATOM 1596 CD GLU B 7 -13.484 11.659 6.625 1.00 0.76 C ATOM 1597 OE1 GLU B 7 -13.547 12.385 5.646 1.00 1.49 O ATOM 1598 OE2 GLU B 7 -13.315 12.062 7.763 1.00 1.08 O ATOM 0 H GLU B 7 -14.969 9.706 4.351 1.00 0.28 H new ATOM 0 HA GLU B 7 -12.465 8.189 3.834 1.00 0.30 H new ATOM 0 HB2 GLU B 7 -11.690 9.370 5.859 1.00 0.36 H new ATOM 0 HB3 GLU B 7 -12.355 10.504 4.700 1.00 0.36 H new ATOM 0 HG2 GLU B 7 -14.639 9.915 6.076 1.00 0.53 H new ATOM 0 HG3 GLU B 7 -13.471 9.621 7.349 1.00 0.53 H new ATOM 1605 N ILE B 8 -13.099 6.186 5.181 1.00 0.33 N ATOM 1606 CA ILE B 8 -13.412 4.996 6.025 1.00 0.38 C ATOM 1607 C ILE B 8 -12.132 4.259 6.414 1.00 0.34 C ATOM 1608 O ILE B 8 -11.205 4.134 5.641 1.00 0.34 O ATOM 1609 CB ILE B 8 -14.313 4.047 5.238 1.00 0.42 C ATOM 1610 CG1 ILE B 8 -15.321 4.862 4.427 1.00 0.47 C ATOM 1611 CG2 ILE B 8 -15.059 3.130 6.209 1.00 0.62 C ATOM 1612 CD1 ILE B 8 -16.314 3.918 3.757 1.00 1.17 C ATOM 0 H ILE B 8 -12.529 5.991 4.358 1.00 0.33 H new ATOM 0 HA ILE B 8 -13.914 5.332 6.932 1.00 0.38 H new ATOM 0 HB ILE B 8 -13.707 3.443 4.563 1.00 0.42 H new ATOM 0 HG12 ILE B 8 -15.848 5.560 5.077 1.00 0.47 H new ATOM 0 HG13 ILE B 8 -14.803 5.457 3.674 1.00 0.47 H new ATOM 0 HG21 ILE B 8 -15.702 2.452 5.648 1.00 0.62 H new ATOM 0 HG22 ILE B 8 -14.340 2.551 6.788 1.00 0.62 H new ATOM 0 HG23 ILE B 8 -15.667 3.732 6.884 1.00 0.62 H new ATOM 0 HD11 ILE B 8 -17.033 4.498 3.178 1.00 1.17 H new ATOM 0 HD12 ILE B 8 -15.779 3.238 3.094 1.00 1.17 H new ATOM 0 HD13 ILE B 8 -16.840 3.343 4.519 1.00 1.17 H new ATOM 1624 N VAL B 9 -12.102 3.762 7.618 1.00 0.32 N ATOM 1625 CA VAL B 9 -10.915 3.009 8.104 1.00 0.30 C ATOM 1626 C VAL B 9 -11.225 1.507 8.107 1.00 0.27 C ATOM 1627 O VAL B 9 -12.247 1.071 8.598 1.00 0.28 O ATOM 1628 CB VAL B 9 -10.570 3.461 9.522 1.00 0.34 C ATOM 1629 CG1 VAL B 9 -9.350 2.685 10.021 1.00 1.37 C ATOM 1630 CG2 VAL B 9 -10.255 4.959 9.522 1.00 1.27 C ATOM 0 H VAL B 9 -12.860 3.847 8.295 1.00 0.32 H new ATOM 0 HA VAL B 9 -10.069 3.203 7.445 1.00 0.30 H new ATOM 0 HB VAL B 9 -11.419 3.270 10.179 1.00 0.34 H new ATOM 0 HG11 VAL B 9 -9.103 3.007 11.033 1.00 1.37 H new ATOM 0 HG12 VAL B 9 -9.574 1.618 10.024 1.00 1.37 H new ATOM 0 HG13 VAL B 9 -8.503 2.876 9.362 1.00 1.37 H new ATOM 0 HG21 VAL B 9 -10.009 5.279 10.535 1.00 1.27 H new ATOM 0 HG22 VAL B 9 -9.408 5.153 8.864 1.00 1.27 H new ATOM 0 HG23 VAL B 9 -11.124 5.513 9.167 1.00 1.27 H new ATOM 1640 N VAL B 10 -10.355 0.726 7.542 1.00 0.24 N ATOM 1641 CA VAL B 10 -10.613 -0.743 7.489 1.00 0.22 C ATOM 1642 C VAL B 10 -10.076 -1.376 8.770 1.00 0.20 C ATOM 1643 O VAL B 10 -9.352 -0.751 9.519 1.00 0.21 O ATOM 1644 CB VAL B 10 -9.925 -1.357 6.263 1.00 0.22 C ATOM 1645 CG1 VAL B 10 -8.515 -1.826 6.627 1.00 0.34 C ATOM 1646 CG2 VAL B 10 -10.739 -2.555 5.771 1.00 0.37 C ATOM 0 H VAL B 10 -9.481 1.033 7.116 1.00 0.24 H new ATOM 0 HA VAL B 10 -11.684 -0.929 7.406 1.00 0.22 H new ATOM 0 HB VAL B 10 -9.860 -0.602 5.480 1.00 0.22 H new ATOM 0 HG11 VAL B 10 -8.038 -2.260 5.748 1.00 0.34 H new ATOM 0 HG12 VAL B 10 -7.928 -0.977 6.977 1.00 0.34 H new ATOM 0 HG13 VAL B 10 -8.573 -2.576 7.416 1.00 0.34 H new ATOM 0 HG21 VAL B 10 -10.252 -2.993 4.900 1.00 0.37 H new ATOM 0 HG22 VAL B 10 -10.804 -3.301 6.563 1.00 0.37 H new ATOM 0 HG23 VAL B 10 -11.742 -2.226 5.499 1.00 0.37 H new ATOM 1656 N ARG B 11 -10.448 -2.599 9.040 1.00 0.19 N ATOM 1657 CA ARG B 11 -9.983 -3.258 10.293 1.00 0.20 C ATOM 1658 C ARG B 11 -9.614 -4.713 10.026 1.00 0.21 C ATOM 1659 O ARG B 11 -9.857 -5.255 8.966 1.00 0.22 O ATOM 1660 CB ARG B 11 -11.095 -3.227 11.342 1.00 0.22 C ATOM 1661 CG ARG B 11 -11.957 -1.980 11.151 1.00 0.51 C ATOM 1662 CD ARG B 11 -12.843 -1.780 12.380 1.00 0.49 C ATOM 1663 NE ARG B 11 -14.154 -1.213 11.957 1.00 1.28 N ATOM 1664 CZ ARG B 11 -14.947 -0.668 12.839 1.00 1.53 C ATOM 1665 NH1 ARG B 11 -14.595 -0.629 14.096 1.00 1.59 N ATOM 1666 NH2 ARG B 11 -16.090 -0.164 12.465 1.00 2.37 N ATOM 0 H ARG B 11 -11.053 -3.168 8.448 1.00 0.19 H new ATOM 0 HA ARG B 11 -9.108 -2.718 10.655 1.00 0.20 H new ATOM 0 HB2 ARG B 11 -11.711 -4.122 11.257 1.00 0.22 H new ATOM 0 HB3 ARG B 11 -10.663 -3.231 12.343 1.00 0.22 H new ATOM 0 HG2 ARG B 11 -11.323 -1.106 11.000 1.00 0.51 H new ATOM 0 HG3 ARG B 11 -12.573 -2.084 10.258 1.00 0.51 H new ATOM 0 HD2 ARG B 11 -12.993 -2.730 12.892 1.00 0.49 H new ATOM 0 HD3 ARG B 11 -12.356 -1.110 13.088 1.00 0.49 H new ATOM 0 HE ARG B 11 -14.432 -1.251 10.976 1.00 1.28 H new ATOM 0 HH11 ARG B 11 -13.701 -1.024 14.388 1.00 1.59 H new ATOM 0 HH12 ARG B 11 -15.214 -0.203 14.786 1.00 1.59 H new ATOM 0 HH21 ARG B 11 -16.364 -0.196 11.483 1.00 2.37 H new ATOM 0 HH22 ARG B 11 -16.710 0.262 13.154 1.00 2.37 H new ATOM 1680 N LYS B 12 -9.036 -5.339 11.005 1.00 0.22 N ATOM 1681 CA LYS B 12 -8.639 -6.762 10.880 1.00 0.25 C ATOM 1682 C LYS B 12 -9.692 -7.610 11.570 1.00 0.25 C ATOM 1683 O LYS B 12 -9.708 -8.820 11.461 1.00 0.31 O ATOM 1684 CB LYS B 12 -7.305 -6.973 11.594 1.00 0.31 C ATOM 1685 CG LYS B 12 -7.443 -6.547 13.064 1.00 0.43 C ATOM 1686 CD LYS B 12 -7.561 -7.781 13.962 1.00 1.00 C ATOM 1687 CE LYS B 12 -6.177 -8.388 14.186 1.00 0.99 C ATOM 1688 NZ LYS B 12 -6.298 -9.869 14.311 1.00 1.75 N ATOM 0 H LYS B 12 -8.817 -4.915 11.906 1.00 0.22 H new ATOM 0 HA LYS B 12 -8.547 -7.037 9.829 1.00 0.25 H new ATOM 0 HB2 LYS B 12 -7.008 -8.020 11.533 1.00 0.31 H new ATOM 0 HB3 LYS B 12 -6.523 -6.391 11.107 1.00 0.31 H new ATOM 0 HG2 LYS B 12 -6.579 -5.953 13.361 1.00 0.43 H new ATOM 0 HG3 LYS B 12 -8.322 -5.914 13.186 1.00 0.43 H new ATOM 0 HD2 LYS B 12 -8.007 -7.506 14.918 1.00 1.00 H new ATOM 0 HD3 LYS B 12 -8.221 -8.516 13.502 1.00 1.00 H new ATOM 0 HE2 LYS B 12 -5.518 -8.135 13.355 1.00 0.99 H new ATOM 0 HE3 LYS B 12 -5.727 -7.972 15.087 1.00 0.99 H new ATOM 0 HZ1 LYS B 12 -5.356 -10.283 14.464 1.00 1.75 H new ATOM 0 HZ2 LYS B 12 -6.912 -10.100 15.118 1.00 1.75 H new ATOM 0 HZ3 LYS B 12 -6.710 -10.258 13.439 1.00 1.75 H new ATOM 1702 N THR B 13 -10.560 -6.980 12.306 1.00 0.25 N ATOM 1703 CA THR B 13 -11.599 -7.747 13.032 1.00 0.36 C ATOM 1704 C THR B 13 -12.762 -8.051 12.097 1.00 0.49 C ATOM 1705 O THR B 13 -13.580 -8.905 12.374 1.00 0.91 O ATOM 1706 CB THR B 13 -12.108 -6.932 14.222 1.00 0.45 C ATOM 1707 OG1 THR B 13 -13.328 -6.294 13.868 1.00 1.19 O ATOM 1708 CG2 THR B 13 -11.071 -5.877 14.606 1.00 1.07 C ATOM 0 H THR B 13 -10.593 -5.969 12.435 1.00 0.25 H new ATOM 0 HA THR B 13 -11.165 -8.681 13.390 1.00 0.36 H new ATOM 0 HB THR B 13 -12.275 -7.595 15.071 1.00 0.45 H new ATOM 0 HG1 THR B 13 -13.657 -5.772 14.629 1.00 1.19 H new ATOM 0 HG21 THR B 13 -11.437 -5.299 15.454 1.00 1.07 H new ATOM 0 HG22 THR B 13 -10.136 -6.368 14.878 1.00 1.07 H new ATOM 0 HG23 THR B 13 -10.899 -5.211 13.760 1.00 1.07 H new ATOM 1716 N LYS B 14 -12.823 -7.390 10.972 1.00 0.31 N ATOM 1717 CA LYS B 14 -13.911 -7.674 10.000 1.00 0.38 C ATOM 1718 C LYS B 14 -13.361 -8.609 8.925 1.00 0.44 C ATOM 1719 O LYS B 14 -12.900 -9.696 9.215 1.00 1.02 O ATOM 1720 CB LYS B 14 -14.391 -6.358 9.382 1.00 0.41 C ATOM 1721 CG LYS B 14 -15.298 -5.647 10.389 1.00 0.68 C ATOM 1722 CD LYS B 14 -14.996 -4.149 10.413 1.00 0.90 C ATOM 1723 CE LYS B 14 -15.789 -3.492 11.547 1.00 1.34 C ATOM 1724 NZ LYS B 14 -17.016 -4.289 11.832 1.00 1.47 N ATOM 0 H LYS B 14 -12.164 -6.665 10.686 1.00 0.31 H new ATOM 0 HA LYS B 14 -14.758 -8.151 10.493 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -13.539 -5.727 9.128 1.00 0.41 H new ATOM 0 HB3 LYS B 14 -14.932 -6.550 8.456 1.00 0.41 H new ATOM 0 HG2 LYS B 14 -16.343 -5.810 10.125 1.00 0.68 H new ATOM 0 HG3 LYS B 14 -15.151 -6.070 11.383 1.00 0.68 H new ATOM 0 HD2 LYS B 14 -13.928 -3.984 10.557 1.00 0.90 H new ATOM 0 HD3 LYS B 14 -15.263 -3.697 9.458 1.00 0.90 H new ATOM 0 HE2 LYS B 14 -15.172 -3.424 12.443 1.00 1.34 H new ATOM 0 HE3 LYS B 14 -16.062 -2.474 11.270 1.00 1.34 H new ATOM 0 HZ1 LYS B 14 -17.664 -3.730 12.422 1.00 1.47 H new ATOM 0 HZ2 LYS B 14 -17.487 -4.534 10.937 1.00 1.47 H new ATOM 0 HZ3 LYS B 14 -16.755 -5.161 12.335 1.00 1.47 H new ATOM 1738 N ASN B 15 -13.387 -8.198 7.692 1.00 0.41 N ATOM 1739 CA ASN B 15 -12.848 -9.069 6.616 1.00 0.31 C ATOM 1740 C ASN B 15 -12.788 -8.278 5.316 1.00 0.26 C ATOM 1741 O ASN B 15 -13.284 -7.172 5.224 1.00 0.30 O ATOM 1742 CB ASN B 15 -13.756 -10.286 6.431 1.00 0.39 C ATOM 1743 CG ASN B 15 -13.028 -11.547 6.903 1.00 0.53 C ATOM 1744 OD1 ASN B 15 -12.909 -11.785 8.089 1.00 1.22 O ATOM 1745 ND2 ASN B 15 -12.534 -12.370 6.019 1.00 1.21 N ATOM 0 H ASN B 15 -13.757 -7.299 7.383 1.00 0.41 H new ATOM 0 HA ASN B 15 -11.848 -9.407 6.889 1.00 0.31 H new ATOM 0 HB2 ASN B 15 -14.678 -10.153 6.996 1.00 0.39 H new ATOM 0 HB3 ASN B 15 -14.037 -10.387 5.383 1.00 0.39 H new ATOM 0 HD21 ASN B 15 -12.048 -13.213 6.323 1.00 1.21 H new ATOM 0 HD22 ASN B 15 -12.634 -12.170 5.024 1.00 1.21 H new ATOM 1752 N VAL B 16 -12.200 -8.840 4.304 1.00 0.24 N ATOM 1753 CA VAL B 16 -12.129 -8.123 3.006 1.00 0.25 C ATOM 1754 C VAL B 16 -13.521 -8.125 2.387 1.00 0.24 C ATOM 1755 O VAL B 16 -13.948 -7.171 1.762 1.00 0.25 O ATOM 1756 CB VAL B 16 -11.150 -8.840 2.075 1.00 0.28 C ATOM 1757 CG1 VAL B 16 -9.868 -9.173 2.838 1.00 0.26 C ATOM 1758 CG2 VAL B 16 -11.789 -10.134 1.565 1.00 0.45 C ATOM 0 H VAL B 16 -11.766 -9.763 4.318 1.00 0.24 H new ATOM 0 HA VAL B 16 -11.784 -7.100 3.157 1.00 0.25 H new ATOM 0 HB VAL B 16 -10.912 -8.192 1.231 1.00 0.28 H new ATOM 0 HG11 VAL B 16 -9.171 -9.684 2.173 1.00 0.26 H new ATOM 0 HG12 VAL B 16 -9.412 -8.253 3.203 1.00 0.26 H new ATOM 0 HG13 VAL B 16 -10.105 -9.820 3.682 1.00 0.26 H new ATOM 0 HG21 VAL B 16 -11.093 -10.647 0.901 1.00 0.45 H new ATOM 0 HG22 VAL B 16 -12.027 -10.780 2.410 1.00 0.45 H new ATOM 0 HG23 VAL B 16 -12.703 -9.898 1.020 1.00 0.45 H new ATOM 1768 N GLU B 17 -14.245 -9.190 2.588 1.00 0.24 N ATOM 1769 CA GLU B 17 -15.616 -9.262 2.034 1.00 0.27 C ATOM 1770 C GLU B 17 -16.512 -8.332 2.840 1.00 0.28 C ATOM 1771 O GLU B 17 -17.350 -7.641 2.303 1.00 0.30 O ATOM 1772 CB GLU B 17 -16.149 -10.701 2.108 1.00 0.37 C ATOM 1773 CG GLU B 17 -16.710 -11.000 3.502 1.00 0.79 C ATOM 1774 CD GLU B 17 -16.918 -12.507 3.652 1.00 1.09 C ATOM 1775 OE1 GLU B 17 -17.160 -13.154 2.646 1.00 1.53 O ATOM 1776 OE2 GLU B 17 -16.836 -12.989 4.769 1.00 1.70 O ATOM 0 H GLU B 17 -13.943 -10.011 3.112 1.00 0.24 H new ATOM 0 HA GLU B 17 -15.606 -8.957 0.987 1.00 0.27 H new ATOM 0 HB2 GLU B 17 -16.928 -10.845 1.359 1.00 0.37 H new ATOM 0 HB3 GLU B 17 -15.349 -11.403 1.874 1.00 0.37 H new ATOM 0 HG2 GLU B 17 -16.024 -10.638 4.268 1.00 0.79 H new ATOM 0 HG3 GLU B 17 -17.654 -10.475 3.647 1.00 0.79 H new ATOM 1783 N ASP B 18 -16.357 -8.320 4.132 1.00 0.29 N ATOM 1784 CA ASP B 18 -17.212 -7.468 4.985 1.00 0.35 C ATOM 1785 C ASP B 18 -17.031 -5.980 4.677 1.00 0.32 C ATOM 1786 O ASP B 18 -17.976 -5.218 4.788 1.00 0.32 O ATOM 1787 CB ASP B 18 -16.839 -7.736 6.437 1.00 0.43 C ATOM 1788 CG ASP B 18 -17.738 -6.921 7.367 1.00 0.66 C ATOM 1789 OD1 ASP B 18 -18.563 -6.177 6.864 1.00 1.19 O ATOM 1790 OD2 ASP B 18 -17.591 -7.060 8.571 1.00 1.46 O ATOM 0 H ASP B 18 -15.664 -8.873 4.636 1.00 0.29 H new ATOM 0 HA ASP B 18 -18.256 -7.712 4.791 1.00 0.35 H new ATOM 0 HB2 ASP B 18 -16.942 -8.799 6.657 1.00 0.43 H new ATOM 0 HB3 ASP B 18 -15.794 -7.475 6.607 1.00 0.43 H new ATOM 1795 N HIS B 19 -15.873 -5.529 4.253 1.00 0.31 N ATOM 1796 CA HIS B 19 -15.737 -4.080 3.932 1.00 0.31 C ATOM 1797 C HIS B 19 -16.058 -3.885 2.453 1.00 0.27 C ATOM 1798 O HIS B 19 -16.366 -2.797 2.011 1.00 0.30 O ATOM 1799 CB HIS B 19 -14.304 -3.621 4.210 1.00 0.35 C ATOM 1800 CG HIS B 19 -14.308 -2.606 5.321 1.00 0.49 C ATOM 1801 ND1 HIS B 19 -14.307 -2.973 6.660 1.00 1.21 N ATOM 1802 CD2 HIS B 19 -14.313 -1.232 5.309 1.00 1.40 C ATOM 1803 CE1 HIS B 19 -14.311 -1.842 7.390 1.00 1.22 C ATOM 1804 NE2 HIS B 19 -14.315 -0.757 6.614 1.00 1.39 N ATOM 0 H HIS B 19 -15.034 -6.093 4.119 1.00 0.31 H new ATOM 0 HA HIS B 19 -16.420 -3.494 4.547 1.00 0.31 H new ATOM 0 HB2 HIS B 19 -13.685 -4.475 4.485 1.00 0.35 H new ATOM 0 HB3 HIS B 19 -13.868 -3.188 3.309 1.00 0.35 H new ATOM 0 HD2 HIS B 19 -14.315 -0.616 4.422 1.00 1.40 H new ATOM 0 HE1 HIS B 19 -14.311 -1.816 8.470 1.00 1.22 H new ATOM 0 HE2 HIS B 19 -14.319 0.217 6.916 1.00 1.39 H new ATOM 1813 N VAL B 20 -16.051 -4.950 1.694 1.00 0.23 N ATOM 1814 CA VAL B 20 -16.428 -4.827 0.262 1.00 0.22 C ATOM 1815 C VAL B 20 -17.944 -4.674 0.261 1.00 0.22 C ATOM 1816 O VAL B 20 -18.520 -3.886 -0.460 1.00 0.23 O ATOM 1817 CB VAL B 20 -15.989 -6.094 -0.495 1.00 0.25 C ATOM 1818 CG1 VAL B 20 -17.149 -6.694 -1.302 1.00 0.34 C ATOM 1819 CG2 VAL B 20 -14.844 -5.751 -1.448 1.00 0.34 C ATOM 0 H VAL B 20 -15.802 -5.890 2.003 1.00 0.23 H new ATOM 0 HA VAL B 20 -15.949 -3.982 -0.233 1.00 0.22 H new ATOM 0 HB VAL B 20 -15.662 -6.829 0.241 1.00 0.25 H new ATOM 0 HG11 VAL B 20 -16.805 -7.587 -1.824 1.00 0.34 H new ATOM 0 HG12 VAL B 20 -17.963 -6.959 -0.627 1.00 0.34 H new ATOM 0 HG13 VAL B 20 -17.503 -5.963 -2.028 1.00 0.34 H new ATOM 0 HG21 VAL B 20 -14.535 -6.649 -1.983 1.00 0.34 H new ATOM 0 HG22 VAL B 20 -15.179 -5.000 -2.163 1.00 0.34 H new ATOM 0 HG23 VAL B 20 -14.001 -5.360 -0.878 1.00 0.34 H new ATOM 1829 N LEU B 21 -18.573 -5.429 1.119 1.00 0.23 N ATOM 1830 CA LEU B 21 -20.052 -5.364 1.260 1.00 0.26 C ATOM 1831 C LEU B 21 -20.433 -3.959 1.721 1.00 0.26 C ATOM 1832 O LEU B 21 -21.303 -3.317 1.163 1.00 0.27 O ATOM 1833 CB LEU B 21 -20.510 -6.364 2.324 1.00 0.29 C ATOM 1834 CG LEU B 21 -20.441 -7.797 1.781 1.00 0.32 C ATOM 1835 CD1 LEU B 21 -20.784 -8.778 2.902 1.00 0.36 C ATOM 1836 CD2 LEU B 21 -21.441 -7.977 0.632 1.00 0.38 C ATOM 0 H LEU B 21 -18.115 -6.099 1.738 1.00 0.23 H new ATOM 0 HA LEU B 21 -20.523 -5.600 0.306 1.00 0.26 H new ATOM 0 HB2 LEU B 21 -19.882 -6.274 3.210 1.00 0.29 H new ATOM 0 HB3 LEU B 21 -21.530 -6.134 2.632 1.00 0.29 H new ATOM 0 HG LEU B 21 -19.434 -7.988 1.411 1.00 0.32 H new ATOM 0 HD11 LEU B 21 -20.736 -9.798 2.520 1.00 0.36 H new ATOM 0 HD12 LEU B 21 -20.071 -8.662 3.718 1.00 0.36 H new ATOM 0 HD13 LEU B 21 -21.790 -8.575 3.268 1.00 0.36 H new ATOM 0 HD21 LEU B 21 -21.382 -8.998 0.255 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -22.450 -7.781 0.994 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -21.202 -7.280 -0.171 1.00 0.38 H new ATOM 1848 N ASP B 22 -19.783 -3.476 2.741 1.00 0.27 N ATOM 1849 CA ASP B 22 -20.107 -2.111 3.239 1.00 0.30 C ATOM 1850 C ASP B 22 -19.698 -1.068 2.191 1.00 0.28 C ATOM 1851 O ASP B 22 -20.311 -0.026 2.065 1.00 0.31 O ATOM 1852 CB ASP B 22 -19.352 -1.848 4.544 1.00 0.33 C ATOM 1853 CG ASP B 22 -20.108 -0.801 5.367 1.00 0.42 C ATOM 1854 OD1 ASP B 22 -20.605 0.142 4.774 1.00 1.21 O ATOM 1855 OD2 ASP B 22 -20.176 -0.962 6.574 1.00 1.00 O ATOM 0 H ASP B 22 -19.045 -3.964 3.249 1.00 0.27 H new ATOM 0 HA ASP B 22 -21.179 -2.039 3.420 1.00 0.30 H new ATOM 0 HB2 ASP B 22 -19.254 -2.773 5.113 1.00 0.33 H new ATOM 0 HB3 ASP B 22 -18.342 -1.498 4.329 1.00 0.33 H new ATOM 1860 N VAL B 23 -18.659 -1.337 1.449 1.00 0.26 N ATOM 1861 CA VAL B 23 -18.205 -0.354 0.420 1.00 0.27 C ATOM 1862 C VAL B 23 -19.221 -0.283 -0.723 1.00 0.26 C ATOM 1863 O VAL B 23 -19.712 0.776 -1.059 1.00 0.28 O ATOM 1864 CB VAL B 23 -16.840 -0.761 -0.136 1.00 0.26 C ATOM 1865 CG1 VAL B 23 -16.548 0.051 -1.397 1.00 0.29 C ATOM 1866 CG2 VAL B 23 -15.757 -0.479 0.907 1.00 0.30 C ATOM 0 H VAL B 23 -18.105 -2.191 1.509 1.00 0.26 H new ATOM 0 HA VAL B 23 -18.121 0.626 0.890 1.00 0.27 H new ATOM 0 HB VAL B 23 -16.847 -1.825 -0.374 1.00 0.26 H new ATOM 0 HG11 VAL B 23 -15.576 -0.236 -1.797 1.00 0.29 H new ATOM 0 HG12 VAL B 23 -17.319 -0.144 -2.142 1.00 0.29 H new ATOM 0 HG13 VAL B 23 -16.541 1.113 -1.152 1.00 0.29 H new ATOM 0 HG21 VAL B 23 -14.785 -0.770 0.509 1.00 0.30 H new ATOM 0 HG22 VAL B 23 -15.749 0.585 1.145 1.00 0.30 H new ATOM 0 HG23 VAL B 23 -15.965 -1.051 1.811 1.00 0.30 H new ATOM 1876 N ILE B 24 -19.549 -1.397 -1.326 1.00 0.23 N ATOM 1877 CA ILE B 24 -20.538 -1.359 -2.440 1.00 0.25 C ATOM 1878 C ILE B 24 -21.865 -0.828 -1.904 1.00 0.26 C ATOM 1879 O ILE B 24 -22.669 -0.287 -2.639 1.00 0.28 O ATOM 1880 CB ILE B 24 -20.728 -2.762 -3.026 1.00 0.27 C ATOM 1881 CG1 ILE B 24 -21.650 -2.681 -4.245 1.00 0.46 C ATOM 1882 CG2 ILE B 24 -21.350 -3.689 -1.981 1.00 0.36 C ATOM 1883 CD1 ILE B 24 -21.598 -4.001 -5.015 1.00 0.69 C ATOM 0 H ILE B 24 -19.179 -2.320 -1.098 1.00 0.23 H new ATOM 0 HA ILE B 24 -20.174 -0.704 -3.231 1.00 0.25 H new ATOM 0 HB ILE B 24 -19.757 -3.159 -3.322 1.00 0.27 H new ATOM 0 HG12 ILE B 24 -22.672 -2.473 -3.928 1.00 0.46 H new ATOM 0 HG13 ILE B 24 -21.344 -1.859 -4.892 1.00 0.46 H new ATOM 0 HG21 ILE B 24 -21.481 -4.683 -2.408 1.00 0.36 H new ATOM 0 HG22 ILE B 24 -20.694 -3.750 -1.113 1.00 0.36 H new ATOM 0 HG23 ILE B 24 -22.319 -3.295 -1.676 1.00 0.36 H new ATOM 0 HD11 ILE B 24 -22.255 -3.942 -5.883 1.00 0.69 H new ATOM 0 HD12 ILE B 24 -20.577 -4.190 -5.345 1.00 0.69 H new ATOM 0 HD13 ILE B 24 -21.925 -4.814 -4.367 1.00 0.69 H new ATOM 1895 N VAL B 25 -22.098 -0.960 -0.627 1.00 0.27 N ATOM 1896 CA VAL B 25 -23.368 -0.442 -0.051 1.00 0.30 C ATOM 1897 C VAL B 25 -23.356 1.088 -0.116 1.00 0.30 C ATOM 1898 O VAL B 25 -24.346 1.715 -0.429 1.00 0.32 O ATOM 1899 CB VAL B 25 -23.493 -0.894 1.404 1.00 0.33 C ATOM 1900 CG1 VAL B 25 -24.600 -0.097 2.098 1.00 0.42 C ATOM 1901 CG2 VAL B 25 -23.836 -2.385 1.445 1.00 0.37 C ATOM 0 H VAL B 25 -21.465 -1.403 0.039 1.00 0.27 H new ATOM 0 HA VAL B 25 -24.215 -0.828 -0.618 1.00 0.30 H new ATOM 0 HB VAL B 25 -22.548 -0.722 1.919 1.00 0.33 H new ATOM 0 HG11 VAL B 25 -24.687 -0.422 3.135 1.00 0.42 H new ATOM 0 HG12 VAL B 25 -24.356 0.965 2.069 1.00 0.42 H new ATOM 0 HG13 VAL B 25 -25.547 -0.266 1.585 1.00 0.42 H new ATOM 0 HG21 VAL B 25 -23.926 -2.709 2.482 1.00 0.37 H new ATOM 0 HG22 VAL B 25 -24.781 -2.555 0.929 1.00 0.37 H new ATOM 0 HG23 VAL B 25 -23.046 -2.954 0.954 1.00 0.37 H new ATOM 1911 N LEU B 26 -22.240 1.695 0.185 1.00 0.30 N ATOM 1912 CA LEU B 26 -22.150 3.183 0.148 1.00 0.32 C ATOM 1913 C LEU B 26 -22.298 3.674 -1.297 1.00 0.31 C ATOM 1914 O LEU B 26 -23.007 4.622 -1.582 1.00 0.33 O ATOM 1915 CB LEU B 26 -20.787 3.585 0.707 1.00 0.35 C ATOM 1916 CG LEU B 26 -20.886 3.724 2.228 1.00 0.61 C ATOM 1917 CD1 LEU B 26 -19.529 3.420 2.855 1.00 0.47 C ATOM 1918 CD2 LEU B 26 -21.302 5.151 2.589 1.00 1.15 C ATOM 0 H LEU B 26 -21.380 1.220 0.457 1.00 0.30 H new ATOM 0 HA LEU B 26 -22.945 3.631 0.744 1.00 0.32 H new ATOM 0 HB2 LEU B 26 -20.039 2.836 0.447 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -20.463 4.527 0.264 1.00 0.35 H new ATOM 0 HG LEU B 26 -21.630 3.023 2.606 1.00 0.61 H new ATOM 0 HD11 LEU B 26 -19.598 3.519 3.938 1.00 0.47 H new ATOM 0 HD12 LEU B 26 -19.231 2.403 2.602 1.00 0.47 H new ATOM 0 HD13 LEU B 26 -18.787 4.121 2.474 1.00 0.47 H new ATOM 0 HD21 LEU B 26 -21.372 5.247 3.673 1.00 1.15 H new ATOM 0 HD22 LEU B 26 -20.560 5.853 2.210 1.00 1.15 H new ATOM 0 HD23 LEU B 26 -22.272 5.371 2.142 1.00 1.15 H new ATOM 1930 N PHE B 27 -21.655 3.015 -2.214 1.00 0.29 N ATOM 1931 CA PHE B 27 -21.792 3.420 -3.640 1.00 0.31 C ATOM 1932 C PHE B 27 -23.285 3.411 -3.958 1.00 0.32 C ATOM 1933 O PHE B 27 -23.786 4.186 -4.748 1.00 0.34 O ATOM 1934 CB PHE B 27 -21.056 2.424 -4.538 1.00 0.32 C ATOM 1935 CG PHE B 27 -21.586 2.528 -5.948 1.00 0.42 C ATOM 1936 CD1 PHE B 27 -21.333 3.679 -6.705 1.00 1.18 C ATOM 1937 CD2 PHE B 27 -22.329 1.477 -6.499 1.00 1.37 C ATOM 1938 CE1 PHE B 27 -21.822 3.778 -8.013 1.00 1.22 C ATOM 1939 CE2 PHE B 27 -22.818 1.577 -7.807 1.00 1.46 C ATOM 1940 CZ PHE B 27 -22.565 2.727 -8.564 1.00 0.70 C ATOM 0 H PHE B 27 -21.043 2.217 -2.042 1.00 0.29 H new ATOM 0 HA PHE B 27 -21.362 4.407 -3.813 1.00 0.31 H new ATOM 0 HB2 PHE B 27 -19.985 2.629 -4.525 1.00 0.32 H new ATOM 0 HB3 PHE B 27 -21.191 1.410 -4.161 1.00 0.32 H new ATOM 0 HD1 PHE B 27 -20.761 4.490 -6.280 1.00 1.18 H new ATOM 0 HD2 PHE B 27 -22.525 0.590 -5.915 1.00 1.37 H new ATOM 0 HE1 PHE B 27 -21.626 4.665 -8.597 1.00 1.22 H new ATOM 0 HE2 PHE B 27 -23.391 0.766 -8.232 1.00 1.46 H new ATOM 0 HZ PHE B 27 -22.943 2.804 -9.573 1.00 0.70 H new ATOM 1950 N ASN B 28 -23.987 2.532 -3.304 1.00 0.31 N ATOM 1951 CA ASN B 28 -25.461 2.438 -3.501 1.00 0.34 C ATOM 1952 C ASN B 28 -26.083 3.808 -3.225 1.00 0.35 C ATOM 1953 O ASN B 28 -27.088 4.174 -3.801 1.00 0.36 O ATOM 1954 CB ASN B 28 -26.044 1.416 -2.534 1.00 0.36 C ATOM 1955 CG ASN B 28 -27.252 0.733 -3.179 1.00 0.43 C ATOM 1956 OD1 ASN B 28 -28.366 1.204 -3.060 1.00 1.17 O ATOM 1957 ND2 ASN B 28 -27.078 -0.363 -3.864 1.00 0.97 N ATOM 0 H ASN B 28 -23.600 1.867 -2.634 1.00 0.31 H new ATOM 0 HA ASN B 28 -25.677 2.128 -4.523 1.00 0.34 H new ATOM 0 HB2 ASN B 28 -25.289 0.674 -2.274 1.00 0.36 H new ATOM 0 HB3 ASN B 28 -26.342 1.906 -1.607 1.00 0.36 H new ATOM 0 HD21 ASN B 28 -27.877 -0.824 -4.300 1.00 0.97 H new ATOM 0 HD22 ASN B 28 -26.143 -0.759 -3.964 1.00 0.97 H new ATOM 1964 N GLN B 29 -25.487 4.567 -2.346 1.00 0.35 N ATOM 1965 CA GLN B 29 -26.038 5.912 -2.032 1.00 0.38 C ATOM 1966 C GLN B 29 -25.448 6.926 -3.009 1.00 0.39 C ATOM 1967 O GLN B 29 -25.789 8.092 -2.992 1.00 0.44 O ATOM 1968 CB GLN B 29 -25.668 6.301 -0.599 1.00 0.39 C ATOM 1969 CG GLN B 29 -26.062 5.172 0.353 1.00 0.39 C ATOM 1970 CD GLN B 29 -25.655 5.544 1.780 1.00 0.42 C ATOM 1971 OE1 GLN B 29 -26.352 5.229 2.724 1.00 1.12 O ATOM 1972 NE2 GLN B 29 -24.549 6.207 1.978 1.00 1.17 N ATOM 0 H GLN B 29 -24.643 4.312 -1.833 1.00 0.35 H new ATOM 0 HA GLN B 29 -27.124 5.897 -2.125 1.00 0.38 H new ATOM 0 HB2 GLN B 29 -24.598 6.494 -0.528 1.00 0.39 H new ATOM 0 HB3 GLN B 29 -26.177 7.223 -0.318 1.00 0.39 H new ATOM 0 HG2 GLN B 29 -27.137 4.998 0.303 1.00 0.39 H new ATOM 0 HG3 GLN B 29 -25.575 4.244 0.055 1.00 0.39 H new ATOM 0 HE21 GLN B 29 -23.964 6.471 1.185 1.00 1.17 H new ATOM 0 HE22 GLN B 29 -24.269 6.461 2.925 1.00 1.17 H new ATOM 1981 N GLY B 30 -24.564 6.480 -3.862 1.00 0.35 N ATOM 1982 CA GLY B 30 -23.939 7.399 -4.852 1.00 0.38 C ATOM 1983 C GLY B 30 -22.523 7.752 -4.401 1.00 0.34 C ATOM 1984 O GLY B 30 -21.926 8.678 -4.900 1.00 0.36 O ATOM 0 H GLY B 30 -24.248 5.512 -3.914 1.00 0.35 H new ATOM 0 HA2 GLY B 30 -23.912 6.927 -5.834 1.00 0.38 H new ATOM 0 HA3 GLY B 30 -24.537 8.305 -4.950 1.00 0.38 H new ATOM 1988 N ILE B 31 -21.969 7.008 -3.480 1.00 0.31 N ATOM 1989 CA ILE B 31 -20.578 7.310 -3.026 1.00 0.29 C ATOM 1990 C ILE B 31 -19.606 6.796 -4.079 1.00 0.26 C ATOM 1991 O ILE B 31 -19.455 5.606 -4.273 1.00 0.25 O ATOM 1992 CB ILE B 31 -20.309 6.620 -1.685 1.00 0.29 C ATOM 1993 CG1 ILE B 31 -21.321 7.103 -0.628 1.00 0.41 C ATOM 1994 CG2 ILE B 31 -18.889 6.942 -1.219 1.00 0.31 C ATOM 1995 CD1 ILE B 31 -21.342 8.630 -0.552 1.00 0.59 C ATOM 0 H ILE B 31 -22.414 6.211 -3.025 1.00 0.31 H new ATOM 0 HA ILE B 31 -20.451 8.385 -2.896 1.00 0.29 H new ATOM 0 HB ILE B 31 -20.416 5.543 -1.813 1.00 0.29 H new ATOM 0 HG12 ILE B 31 -22.316 6.733 -0.875 1.00 0.41 H new ATOM 0 HG13 ILE B 31 -21.061 6.690 0.346 1.00 0.41 H new ATOM 0 HG21 ILE B 31 -18.699 6.451 -0.265 1.00 0.31 H new ATOM 0 HG22 ILE B 31 -18.173 6.585 -1.960 1.00 0.31 H new ATOM 0 HG23 ILE B 31 -18.781 8.020 -1.100 1.00 0.31 H new ATOM 0 HD11 ILE B 31 -22.064 8.947 0.201 1.00 0.59 H new ATOM 0 HD12 ILE B 31 -20.351 8.994 -0.281 1.00 0.59 H new ATOM 0 HD13 ILE B 31 -21.626 9.039 -1.522 1.00 0.59 H new ATOM 2007 N ASP B 32 -18.940 7.684 -4.765 1.00 0.27 N ATOM 2008 CA ASP B 32 -17.980 7.249 -5.810 1.00 0.27 C ATOM 2009 C ASP B 32 -16.560 7.161 -5.248 1.00 0.27 C ATOM 2010 O ASP B 32 -15.788 6.318 -5.657 1.00 0.29 O ATOM 2011 CB ASP B 32 -18.007 8.244 -6.971 1.00 0.29 C ATOM 2012 CG ASP B 32 -19.382 8.210 -7.641 1.00 0.66 C ATOM 2013 OD1 ASP B 32 -20.329 7.813 -6.983 1.00 1.46 O ATOM 2014 OD2 ASP B 32 -19.463 8.580 -8.800 1.00 1.25 O ATOM 0 H ASP B 32 -19.022 8.694 -4.644 1.00 0.27 H new ATOM 0 HA ASP B 32 -18.275 6.259 -6.159 1.00 0.27 H new ATOM 0 HB2 ASP B 32 -17.793 9.249 -6.608 1.00 0.29 H new ATOM 0 HB3 ASP B 32 -17.232 7.995 -7.695 1.00 0.29 H new ATOM 2019 N GLU B 33 -16.201 8.050 -4.351 1.00 0.27 N ATOM 2020 CA GLU B 33 -14.820 8.050 -3.793 1.00 0.28 C ATOM 2021 C GLU B 33 -14.792 7.416 -2.408 1.00 0.26 C ATOM 2022 O GLU B 33 -15.688 7.594 -1.608 1.00 0.28 O ATOM 2023 CB GLU B 33 -14.313 9.486 -3.681 1.00 0.30 C ATOM 2024 CG GLU B 33 -13.900 9.989 -5.065 1.00 0.60 C ATOM 2025 CD GLU B 33 -14.035 11.511 -5.124 1.00 0.49 C ATOM 2026 OE1 GLU B 33 -15.115 12.001 -4.845 1.00 1.20 O ATOM 2027 OE2 GLU B 33 -13.053 12.159 -5.447 1.00 1.08 O ATOM 0 H GLU B 33 -16.813 8.778 -3.982 1.00 0.27 H new ATOM 0 HA GLU B 33 -14.184 7.472 -4.463 1.00 0.28 H new ATOM 0 HB2 GLU B 33 -15.091 10.127 -3.267 1.00 0.30 H new ATOM 0 HB3 GLU B 33 -13.465 9.532 -2.998 1.00 0.30 H new ATOM 0 HG2 GLU B 33 -12.871 9.697 -5.276 1.00 0.60 H new ATOM 0 HG3 GLU B 33 -14.525 9.529 -5.831 1.00 0.60 H new ATOM 2034 N VAL B 34 -13.763 6.672 -2.127 1.00 0.25 N ATOM 2035 CA VAL B 34 -13.676 6.017 -0.793 1.00 0.24 C ATOM 2036 C VAL B 34 -12.214 5.851 -0.353 1.00 0.24 C ATOM 2037 O VAL B 34 -11.403 5.240 -1.021 1.00 0.33 O ATOM 2038 CB VAL B 34 -14.389 4.659 -0.859 1.00 0.24 C ATOM 2039 CG1 VAL B 34 -13.425 3.566 -1.322 1.00 0.49 C ATOM 2040 CG2 VAL B 34 -14.940 4.294 0.521 1.00 0.35 C ATOM 0 H VAL B 34 -12.982 6.489 -2.757 1.00 0.25 H new ATOM 0 HA VAL B 34 -14.165 6.647 -0.050 1.00 0.24 H new ATOM 0 HB VAL B 34 -15.208 4.736 -1.574 1.00 0.24 H new ATOM 0 HG11 VAL B 34 -13.950 2.611 -1.362 1.00 0.49 H new ATOM 0 HG12 VAL B 34 -13.044 3.813 -2.313 1.00 0.49 H new ATOM 0 HG13 VAL B 34 -12.593 3.494 -0.621 1.00 0.49 H new ATOM 0 HG21 VAL B 34 -15.445 3.329 0.468 1.00 0.35 H new ATOM 0 HG22 VAL B 34 -14.120 4.235 1.236 1.00 0.35 H new ATOM 0 HG23 VAL B 34 -15.649 5.057 0.843 1.00 0.35 H new ATOM 2050 N ILE B 35 -11.888 6.399 0.789 1.00 0.20 N ATOM 2051 CA ILE B 35 -10.495 6.285 1.317 1.00 0.21 C ATOM 2052 C ILE B 35 -10.435 5.148 2.344 1.00 0.21 C ATOM 2053 O ILE B 35 -11.153 5.156 3.324 1.00 0.23 O ATOM 2054 CB ILE B 35 -10.082 7.598 1.986 1.00 0.25 C ATOM 2055 CG1 ILE B 35 -10.782 8.772 1.283 1.00 0.26 C ATOM 2056 CG2 ILE B 35 -8.562 7.752 1.885 1.00 0.31 C ATOM 2057 CD1 ILE B 35 -9.919 10.035 1.369 1.00 0.31 C ATOM 0 H ILE B 35 -12.531 6.924 1.382 1.00 0.20 H new ATOM 0 HA ILE B 35 -9.813 6.074 0.493 1.00 0.21 H new ATOM 0 HB ILE B 35 -10.374 7.591 3.036 1.00 0.25 H new ATOM 0 HG12 ILE B 35 -10.968 8.521 0.239 1.00 0.26 H new ATOM 0 HG13 ILE B 35 -11.753 8.954 1.744 1.00 0.26 H new ATOM 0 HG21 ILE B 35 -8.259 8.685 2.359 1.00 0.31 H new ATOM 0 HG22 ILE B 35 -8.077 6.915 2.388 1.00 0.31 H new ATOM 0 HG23 ILE B 35 -8.267 7.765 0.836 1.00 0.31 H new ATOM 0 HD11 ILE B 35 -10.428 10.858 0.867 1.00 0.31 H new ATOM 0 HD12 ILE B 35 -9.756 10.294 2.415 1.00 0.31 H new ATOM 0 HD13 ILE B 35 -8.959 9.853 0.886 1.00 0.31 H new ATOM 2069 N LEU B 36 -9.579 4.177 2.131 1.00 0.23 N ATOM 2070 CA LEU B 36 -9.464 3.044 3.102 1.00 0.26 C ATOM 2071 C LEU B 36 -8.185 3.185 3.923 1.00 0.24 C ATOM 2072 O LEU B 36 -7.096 3.202 3.384 1.00 0.26 O ATOM 2073 CB LEU B 36 -9.430 1.712 2.353 1.00 0.30 C ATOM 2074 CG LEU B 36 -10.756 0.980 2.582 1.00 0.40 C ATOM 2075 CD1 LEU B 36 -11.913 1.855 2.097 1.00 0.46 C ATOM 2076 CD2 LEU B 36 -10.757 -0.334 1.801 1.00 0.48 C ATOM 0 H LEU B 36 -8.955 4.121 1.326 1.00 0.23 H new ATOM 0 HA LEU B 36 -10.329 3.068 3.765 1.00 0.26 H new ATOM 0 HB2 LEU B 36 -9.273 1.882 1.288 1.00 0.30 H new ATOM 0 HB3 LEU B 36 -8.597 1.103 2.705 1.00 0.30 H new ATOM 0 HG LEU B 36 -10.874 0.773 3.646 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -12.856 1.334 2.260 1.00 0.46 H new ATOM 0 HD12 LEU B 36 -11.916 2.794 2.651 1.00 0.46 H new ATOM 0 HD13 LEU B 36 -11.792 2.062 1.034 1.00 0.46 H new ATOM 0 HD21 LEU B 36 -11.701 -0.854 1.965 1.00 0.48 H new ATOM 0 HD22 LEU B 36 -10.637 -0.125 0.738 1.00 0.48 H new ATOM 0 HD23 LEU B 36 -9.933 -0.961 2.143 1.00 0.48 H new ATOM 2088 N LYS B 37 -8.302 3.256 5.225 1.00 0.23 N ATOM 2089 CA LYS B 37 -7.088 3.361 6.084 1.00 0.23 C ATOM 2090 C LYS B 37 -6.818 1.997 6.722 1.00 0.21 C ATOM 2091 O LYS B 37 -7.700 1.402 7.310 1.00 0.20 O ATOM 2092 CB LYS B 37 -7.331 4.394 7.179 1.00 0.29 C ATOM 2093 CG LYS B 37 -8.208 5.522 6.631 1.00 1.26 C ATOM 2094 CD LYS B 37 -7.856 6.834 7.336 1.00 1.50 C ATOM 2095 CE LYS B 37 -9.021 7.814 7.189 1.00 2.39 C ATOM 2096 NZ LYS B 37 -8.497 9.209 7.163 1.00 2.74 N ATOM 0 H LYS B 37 -9.189 3.246 5.729 1.00 0.23 H new ATOM 0 HA LYS B 37 -6.231 3.667 5.483 1.00 0.23 H new ATOM 0 HB2 LYS B 37 -7.816 3.925 8.035 1.00 0.29 H new ATOM 0 HB3 LYS B 37 -6.381 4.796 7.532 1.00 0.29 H new ATOM 0 HG2 LYS B 37 -8.058 5.623 5.556 1.00 1.26 H new ATOM 0 HG3 LYS B 37 -9.261 5.286 6.785 1.00 1.26 H new ATOM 0 HD2 LYS B 37 -7.651 6.650 8.391 1.00 1.50 H new ATOM 0 HD3 LYS B 37 -6.950 7.260 6.905 1.00 1.50 H new ATOM 0 HE2 LYS B 37 -9.573 7.604 6.273 1.00 2.39 H new ATOM 0 HE3 LYS B 37 -9.719 7.692 8.017 1.00 2.39 H new ATOM 0 HZ1 LYS B 37 -9.289 9.876 7.063 1.00 2.74 H new ATOM 0 HZ2 LYS B 37 -7.989 9.406 8.049 1.00 2.74 H new ATOM 0 HZ3 LYS B 37 -7.847 9.321 6.359 1.00 2.74 H new ATOM 2110 N GLY B 38 -5.616 1.495 6.606 1.00 0.21 N ATOM 2111 CA GLY B 38 -5.311 0.155 7.211 1.00 0.22 C ATOM 2112 C GLY B 38 -3.961 0.177 7.926 1.00 0.22 C ATOM 2113 O GLY B 38 -3.089 0.933 7.576 1.00 0.24 O ATOM 0 H GLY B 38 -4.837 1.945 6.125 1.00 0.21 H new ATOM 0 HA2 GLY B 38 -6.096 -0.118 7.916 1.00 0.22 H new ATOM 0 HA3 GLY B 38 -5.303 -0.607 6.432 1.00 0.22 H new ATOM 2117 N THR B 39 -3.807 -0.636 8.950 1.00 0.22 N ATOM 2118 CA THR B 39 -2.525 -0.647 9.729 1.00 0.25 C ATOM 2119 C THR B 39 -1.974 -2.068 9.901 1.00 0.23 C ATOM 2120 O THR B 39 -2.706 -3.003 10.123 1.00 0.20 O ATOM 2121 CB THR B 39 -2.781 -0.054 11.116 1.00 0.28 C ATOM 2122 OG1 THR B 39 -3.833 -0.770 11.747 1.00 0.29 O ATOM 2123 CG2 THR B 39 -3.170 1.418 10.984 1.00 0.49 C ATOM 0 H THR B 39 -4.515 -1.292 9.279 1.00 0.22 H new ATOM 0 HA THR B 39 -1.792 -0.059 9.177 1.00 0.25 H new ATOM 0 HB THR B 39 -1.875 -0.132 11.717 1.00 0.28 H new ATOM 0 HG1 THR B 39 -3.998 -0.393 12.636 1.00 0.29 H new ATOM 0 HG21 THR B 39 -3.351 1.837 11.974 1.00 0.49 H new ATOM 0 HG22 THR B 39 -2.361 1.966 10.501 1.00 0.49 H new ATOM 0 HG23 THR B 39 -4.075 1.503 10.383 1.00 0.49 H new ATOM 2131 N GLY B 40 -0.670 -2.209 9.813 1.00 0.25 N ATOM 2132 CA GLY B 40 0.004 -3.542 9.988 1.00 0.26 C ATOM 2133 C GLY B 40 -0.870 -4.692 9.479 1.00 0.25 C ATOM 2134 O GLY B 40 -0.683 -5.185 8.393 1.00 0.28 O ATOM 0 H GLY B 40 -0.029 -1.439 9.623 1.00 0.25 H new ATOM 0 HA2 GLY B 40 0.953 -3.542 9.453 1.00 0.26 H new ATOM 0 HA3 GLY B 40 0.233 -3.698 11.042 1.00 0.26 H new ATOM 2138 N ARG B 41 -1.800 -5.144 10.272 1.00 0.23 N ATOM 2139 CA ARG B 41 -2.668 -6.276 9.837 1.00 0.24 C ATOM 2140 C ARG B 41 -3.774 -5.764 8.914 1.00 0.22 C ATOM 2141 O ARG B 41 -3.964 -6.269 7.825 1.00 0.26 O ATOM 2142 CB ARG B 41 -3.298 -6.958 11.057 1.00 0.24 C ATOM 2143 CG ARG B 41 -3.493 -5.941 12.187 1.00 0.61 C ATOM 2144 CD ARG B 41 -2.258 -5.918 13.097 1.00 0.94 C ATOM 2145 NE ARG B 41 -1.039 -6.262 12.310 1.00 1.74 N ATOM 2146 CZ ARG B 41 0.134 -6.223 12.877 1.00 2.19 C ATOM 2147 NH1 ARG B 41 0.243 -5.889 14.133 1.00 2.10 N ATOM 2148 NH2 ARG B 41 1.201 -6.520 12.185 1.00 3.16 N ATOM 0 H ARG B 41 -1.998 -4.779 11.204 1.00 0.23 H new ATOM 0 HA ARG B 41 -2.054 -6.998 9.299 1.00 0.24 H new ATOM 0 HB2 ARG B 41 -4.257 -7.397 10.783 1.00 0.24 H new ATOM 0 HB3 ARG B 41 -2.660 -7.773 11.397 1.00 0.24 H new ATOM 0 HG2 ARG B 41 -3.664 -4.949 11.768 1.00 0.61 H new ATOM 0 HG3 ARG B 41 -4.378 -6.198 12.769 1.00 0.61 H new ATOM 0 HD2 ARG B 41 -2.145 -4.931 13.546 1.00 0.94 H new ATOM 0 HD3 ARG B 41 -2.385 -6.627 13.915 1.00 0.94 H new ATOM 0 HE ARG B 41 -1.123 -6.528 11.329 1.00 1.74 H new ATOM 0 HH11 ARG B 41 -0.591 -5.658 14.673 1.00 2.10 H new ATOM 0 HH12 ARG B 41 1.162 -5.859 14.575 1.00 2.10 H new ATOM 0 HH21 ARG B 41 1.115 -6.782 11.203 1.00 3.16 H new ATOM 0 HH22 ARG B 41 2.120 -6.490 12.627 1.00 3.16 H new ATOM 2162 N GLU B 42 -4.517 -4.779 9.335 1.00 0.18 N ATOM 2163 CA GLU B 42 -5.615 -4.265 8.473 1.00 0.17 C ATOM 2164 C GLU B 42 -5.019 -3.648 7.212 1.00 0.18 C ATOM 2165 O GLU B 42 -5.714 -3.389 6.246 1.00 0.19 O ATOM 2166 CB GLU B 42 -6.429 -3.195 9.213 1.00 0.16 C ATOM 2167 CG GLU B 42 -5.836 -2.913 10.600 1.00 0.16 C ATOM 2168 CD GLU B 42 -6.753 -1.954 11.361 1.00 0.63 C ATOM 2169 OE1 GLU B 42 -6.952 -0.849 10.881 1.00 1.29 O ATOM 2170 OE2 GLU B 42 -7.238 -2.338 12.412 1.00 1.38 O ATOM 0 H GLU B 42 -4.412 -4.310 10.235 1.00 0.18 H new ATOM 0 HA GLU B 42 -6.272 -5.095 8.215 1.00 0.17 H new ATOM 0 HB2 GLU B 42 -6.446 -2.276 8.627 1.00 0.16 H new ATOM 0 HB3 GLU B 42 -7.462 -3.526 9.316 1.00 0.16 H new ATOM 0 HG2 GLU B 42 -5.724 -3.844 11.156 1.00 0.16 H new ATOM 0 HG3 GLU B 42 -4.841 -2.480 10.501 1.00 0.16 H new ATOM 2177 N ILE B 43 -3.737 -3.414 7.205 1.00 0.19 N ATOM 2178 CA ILE B 43 -3.093 -2.821 6.003 1.00 0.23 C ATOM 2179 C ILE B 43 -3.288 -3.752 4.799 1.00 0.26 C ATOM 2180 O ILE B 43 -3.284 -3.323 3.662 1.00 0.30 O ATOM 2181 CB ILE B 43 -1.599 -2.648 6.291 1.00 0.30 C ATOM 2182 CG1 ILE B 43 -1.021 -1.556 5.392 1.00 0.34 C ATOM 2183 CG2 ILE B 43 -0.878 -3.958 6.004 1.00 0.39 C ATOM 2184 CD1 ILE B 43 0.461 -1.362 5.719 1.00 0.85 C ATOM 0 H ILE B 43 -3.106 -3.609 7.983 1.00 0.19 H new ATOM 0 HA ILE B 43 -3.543 -1.855 5.774 1.00 0.23 H new ATOM 0 HB ILE B 43 -1.465 -2.368 7.336 1.00 0.30 H new ATOM 0 HG12 ILE B 43 -1.141 -1.831 4.344 1.00 0.34 H new ATOM 0 HG13 ILE B 43 -1.563 -0.622 5.541 1.00 0.34 H new ATOM 0 HG21 ILE B 43 0.186 -3.840 6.208 1.00 0.39 H new ATOM 0 HG22 ILE B 43 -1.284 -4.744 6.641 1.00 0.39 H new ATOM 0 HG23 ILE B 43 -1.019 -4.229 4.958 1.00 0.39 H new ATOM 0 HD11 ILE B 43 0.876 -0.583 5.079 1.00 0.85 H new ATOM 0 HD12 ILE B 43 0.568 -1.068 6.763 1.00 0.85 H new ATOM 0 HD13 ILE B 43 0.997 -2.296 5.548 1.00 0.85 H new ATOM 2196 N SER B 44 -3.457 -5.024 5.043 1.00 0.27 N ATOM 2197 CA SER B 44 -3.650 -5.983 3.919 1.00 0.31 C ATOM 2198 C SER B 44 -5.132 -6.041 3.591 1.00 0.30 C ATOM 2199 O SER B 44 -5.529 -6.306 2.474 1.00 0.32 O ATOM 2200 CB SER B 44 -3.160 -7.370 4.333 1.00 0.36 C ATOM 2201 OG SER B 44 -2.110 -7.234 5.282 1.00 1.12 O ATOM 0 H SER B 44 -3.470 -5.440 5.974 1.00 0.27 H new ATOM 0 HA SER B 44 -3.084 -5.657 3.047 1.00 0.31 H new ATOM 0 HB2 SER B 44 -3.981 -7.945 4.762 1.00 0.36 H new ATOM 0 HB3 SER B 44 -2.808 -7.919 3.460 1.00 0.36 H new ATOM 0 HG SER B 44 -1.275 -7.574 4.897 1.00 1.12 H new ATOM 2207 N LYS B 45 -5.952 -5.747 4.556 1.00 0.26 N ATOM 2208 CA LYS B 45 -7.406 -5.736 4.285 1.00 0.26 C ATOM 2209 C LYS B 45 -7.648 -4.629 3.264 1.00 0.25 C ATOM 2210 O LYS B 45 -7.974 -4.888 2.122 1.00 0.27 O ATOM 2211 CB LYS B 45 -8.178 -5.458 5.576 1.00 0.26 C ATOM 2212 CG LYS B 45 -8.418 -6.774 6.323 1.00 0.40 C ATOM 2213 CD LYS B 45 -7.097 -7.536 6.471 1.00 0.91 C ATOM 2214 CE LYS B 45 -7.205 -8.523 7.636 1.00 0.81 C ATOM 2215 NZ LYS B 45 -6.422 -9.751 7.319 1.00 1.87 N ATOM 0 H LYS B 45 -5.679 -5.516 5.511 1.00 0.26 H new ATOM 0 HA LYS B 45 -7.748 -6.698 3.903 1.00 0.26 H new ATOM 0 HB2 LYS B 45 -7.617 -4.767 6.206 1.00 0.26 H new ATOM 0 HB3 LYS B 45 -9.130 -4.979 5.347 1.00 0.26 H new ATOM 0 HG2 LYS B 45 -8.844 -6.572 7.306 1.00 0.40 H new ATOM 0 HG3 LYS B 45 -9.141 -7.384 5.781 1.00 0.40 H new ATOM 0 HD2 LYS B 45 -6.867 -8.069 5.549 1.00 0.91 H new ATOM 0 HD3 LYS B 45 -6.279 -6.837 6.647 1.00 0.91 H new ATOM 0 HE2 LYS B 45 -6.829 -8.065 8.551 1.00 0.81 H new ATOM 0 HE3 LYS B 45 -8.249 -8.780 7.814 1.00 0.81 H new ATOM 0 HZ1 LYS B 45 -6.494 -10.423 8.110 1.00 1.87 H new ATOM 0 HZ2 LYS B 45 -6.800 -10.191 6.456 1.00 1.87 H new ATOM 0 HZ3 LYS B 45 -5.424 -9.498 7.170 1.00 1.87 H new ATOM 2229 N ALA B 46 -7.506 -3.400 3.692 1.00 0.22 N ATOM 2230 CA ALA B 46 -7.733 -2.227 2.782 1.00 0.21 C ATOM 2231 C ALA B 46 -7.327 -2.563 1.340 1.00 0.19 C ATOM 2232 O ALA B 46 -8.004 -2.207 0.396 1.00 0.22 O ATOM 2233 CB ALA B 46 -6.903 -1.037 3.270 1.00 0.26 C ATOM 0 H ALA B 46 -7.239 -3.153 4.645 1.00 0.22 H new ATOM 0 HA ALA B 46 -8.795 -1.980 2.798 1.00 0.21 H new ATOM 0 HB1 ALA B 46 -7.066 -0.185 2.611 1.00 0.26 H new ATOM 0 HB2 ALA B 46 -7.205 -0.774 4.284 1.00 0.26 H new ATOM 0 HB3 ALA B 46 -5.846 -1.303 3.263 1.00 0.26 H new ATOM 2239 N VAL B 47 -6.232 -3.250 1.164 1.00 0.18 N ATOM 2240 CA VAL B 47 -5.782 -3.615 -0.213 1.00 0.18 C ATOM 2241 C VAL B 47 -6.765 -4.618 -0.825 1.00 0.18 C ATOM 2242 O VAL B 47 -7.428 -4.337 -1.804 1.00 0.19 O ATOM 2243 CB VAL B 47 -4.381 -4.245 -0.135 1.00 0.24 C ATOM 2244 CG1 VAL B 47 -3.904 -4.671 -1.530 1.00 0.28 C ATOM 2245 CG2 VAL B 47 -3.401 -3.218 0.430 1.00 0.27 C ATOM 0 H VAL B 47 -5.626 -3.576 1.917 1.00 0.18 H new ATOM 0 HA VAL B 47 -5.747 -2.722 -0.837 1.00 0.18 H new ATOM 0 HB VAL B 47 -4.426 -5.123 0.509 1.00 0.24 H new ATOM 0 HG11 VAL B 47 -2.911 -5.115 -1.455 1.00 0.28 H new ATOM 0 HG12 VAL B 47 -4.598 -5.402 -1.944 1.00 0.28 H new ATOM 0 HG13 VAL B 47 -3.864 -3.799 -2.183 1.00 0.28 H new ATOM 0 HG21 VAL B 47 -2.406 -3.658 0.488 1.00 0.27 H new ATOM 0 HG22 VAL B 47 -3.374 -2.344 -0.221 1.00 0.27 H new ATOM 0 HG23 VAL B 47 -3.723 -2.918 1.427 1.00 0.27 H new ATOM 2255 N ASP B 48 -6.857 -5.792 -0.260 1.00 0.20 N ATOM 2256 CA ASP B 48 -7.788 -6.823 -0.807 1.00 0.23 C ATOM 2257 C ASP B 48 -9.159 -6.193 -1.036 1.00 0.26 C ATOM 2258 O ASP B 48 -9.739 -6.311 -2.097 1.00 0.30 O ATOM 2259 CB ASP B 48 -7.921 -7.975 0.191 1.00 0.24 C ATOM 2260 CG ASP B 48 -8.383 -9.237 -0.542 1.00 0.41 C ATOM 2261 OD1 ASP B 48 -9.572 -9.351 -0.791 1.00 1.25 O ATOM 2262 OD2 ASP B 48 -7.541 -10.067 -0.840 1.00 1.08 O ATOM 0 H ASP B 48 -6.325 -6.083 0.560 1.00 0.20 H new ATOM 0 HA ASP B 48 -7.395 -7.203 -1.750 1.00 0.23 H new ATOM 0 HB2 ASP B 48 -6.965 -8.157 0.682 1.00 0.24 H new ATOM 0 HB3 ASP B 48 -8.635 -7.713 0.971 1.00 0.24 H new ATOM 2267 N VAL B 49 -9.672 -5.530 -0.036 1.00 0.26 N ATOM 2268 CA VAL B 49 -11.006 -4.880 -0.168 1.00 0.32 C ATOM 2269 C VAL B 49 -11.096 -4.205 -1.535 1.00 0.31 C ATOM 2270 O VAL B 49 -11.993 -4.464 -2.312 1.00 0.31 O ATOM 2271 CB VAL B 49 -11.176 -3.824 0.926 1.00 0.39 C ATOM 2272 CG1 VAL B 49 -12.367 -2.924 0.588 1.00 1.06 C ATOM 2273 CG2 VAL B 49 -11.426 -4.515 2.267 1.00 0.96 C ATOM 0 H VAL B 49 -9.222 -5.410 0.871 1.00 0.26 H new ATOM 0 HA VAL B 49 -11.789 -5.631 -0.069 1.00 0.32 H new ATOM 0 HB VAL B 49 -10.271 -3.220 0.990 1.00 0.39 H new ATOM 0 HG11 VAL B 49 -12.488 -2.172 1.368 1.00 1.06 H new ATOM 0 HG12 VAL B 49 -12.191 -2.431 -0.368 1.00 1.06 H new ATOM 0 HG13 VAL B 49 -13.272 -3.528 0.523 1.00 1.06 H new ATOM 0 HG21 VAL B 49 -11.547 -3.763 3.047 1.00 0.96 H new ATOM 0 HG22 VAL B 49 -12.331 -5.119 2.202 1.00 0.96 H new ATOM 0 HG23 VAL B 49 -10.578 -5.156 2.510 1.00 0.96 H new ATOM 2283 N TYR B 50 -10.178 -3.328 -1.825 1.00 0.33 N ATOM 2284 CA TYR B 50 -10.213 -2.618 -3.133 1.00 0.36 C ATOM 2285 C TYR B 50 -9.934 -3.589 -4.278 1.00 0.32 C ATOM 2286 O TYR B 50 -10.703 -3.682 -5.214 1.00 0.32 O ATOM 2287 CB TYR B 50 -9.163 -1.512 -3.150 1.00 0.43 C ATOM 2288 CG TYR B 50 -8.438 -1.524 -4.478 1.00 1.19 C ATOM 2289 CD1 TYR B 50 -9.133 -1.246 -5.663 1.00 1.93 C ATOM 2290 CD2 TYR B 50 -7.070 -1.810 -4.524 1.00 2.17 C ATOM 2291 CE1 TYR B 50 -8.459 -1.258 -6.891 1.00 2.76 C ATOM 2292 CE2 TYR B 50 -6.399 -1.819 -5.749 1.00 3.03 C ATOM 2293 CZ TYR B 50 -7.092 -1.544 -6.933 1.00 3.13 C ATOM 2294 OH TYR B 50 -6.426 -1.554 -8.142 1.00 4.11 O ATOM 0 H TYR B 50 -9.404 -3.072 -1.212 1.00 0.33 H new ATOM 0 HA TYR B 50 -11.206 -2.188 -3.264 1.00 0.36 H new ATOM 0 HB2 TYR B 50 -9.637 -0.543 -2.991 1.00 0.43 H new ATOM 0 HB3 TYR B 50 -8.454 -1.657 -2.335 1.00 0.43 H new ATOM 0 HD1 TYR B 50 -10.189 -1.022 -5.629 1.00 1.93 H new ATOM 0 HD2 TYR B 50 -6.532 -2.024 -3.612 1.00 2.17 H new ATOM 0 HE1 TYR B 50 -8.995 -1.046 -7.804 1.00 2.76 H new ATOM 0 HE2 TYR B 50 -5.342 -2.039 -5.782 1.00 3.03 H new ATOM 0 HH TYR B 50 -5.482 -1.770 -7.993 1.00 4.11 H new ATOM 2304 N ASN B 51 -8.841 -4.306 -4.226 1.00 0.32 N ATOM 2305 CA ASN B 51 -8.543 -5.253 -5.334 1.00 0.30 C ATOM 2306 C ASN B 51 -9.789 -6.079 -5.612 1.00 0.29 C ATOM 2307 O ASN B 51 -10.299 -6.112 -6.715 1.00 0.30 O ATOM 2308 CB ASN B 51 -7.397 -6.181 -4.937 1.00 0.31 C ATOM 2309 CG ASN B 51 -7.071 -7.101 -6.115 1.00 0.65 C ATOM 2310 OD1 ASN B 51 -6.154 -6.842 -6.869 1.00 1.41 O ATOM 2311 ND2 ASN B 51 -7.792 -8.172 -6.312 1.00 1.19 N ATOM 0 H ASN B 51 -8.152 -4.276 -3.474 1.00 0.32 H new ATOM 0 HA ASN B 51 -8.251 -4.696 -6.224 1.00 0.30 H new ATOM 0 HB2 ASN B 51 -6.519 -5.598 -4.660 1.00 0.31 H new ATOM 0 HB3 ASN B 51 -7.676 -6.771 -4.064 1.00 0.31 H new ATOM 0 HD21 ASN B 51 -7.585 -8.789 -7.097 1.00 1.19 H new ATOM 0 HD22 ASN B 51 -8.562 -8.392 -5.680 1.00 1.19 H new ATOM 2318 N SER B 52 -10.271 -6.768 -4.622 1.00 0.29 N ATOM 2319 CA SER B 52 -11.469 -7.613 -4.845 1.00 0.31 C ATOM 2320 C SER B 52 -12.627 -6.743 -5.352 1.00 0.29 C ATOM 2321 O SER B 52 -13.472 -7.201 -6.093 1.00 0.33 O ATOM 2322 CB SER B 52 -11.896 -8.299 -3.559 1.00 0.34 C ATOM 2323 OG SER B 52 -10.745 -8.693 -2.824 1.00 0.65 O ATOM 0 H SER B 52 -9.891 -6.783 -3.676 1.00 0.29 H new ATOM 0 HA SER B 52 -11.216 -8.373 -5.584 1.00 0.31 H new ATOM 0 HB2 SER B 52 -12.508 -7.624 -2.961 1.00 0.34 H new ATOM 0 HB3 SER B 52 -12.511 -9.170 -3.786 1.00 0.34 H new ATOM 0 HG SER B 52 -10.969 -8.750 -1.872 1.00 0.65 H new ATOM 2329 N LEU B 53 -12.678 -5.494 -4.954 1.00 0.27 N ATOM 2330 CA LEU B 53 -13.778 -4.596 -5.403 1.00 0.27 C ATOM 2331 C LEU B 53 -13.557 -4.172 -6.860 1.00 0.27 C ATOM 2332 O LEU B 53 -14.493 -3.868 -7.575 1.00 0.30 O ATOM 2333 CB LEU B 53 -13.779 -3.335 -4.529 1.00 0.27 C ATOM 2334 CG LEU B 53 -14.956 -2.416 -4.906 1.00 0.32 C ATOM 2335 CD1 LEU B 53 -16.296 -3.068 -4.551 1.00 0.53 C ATOM 2336 CD2 LEU B 53 -14.831 -1.105 -4.137 1.00 0.38 C ATOM 0 H LEU B 53 -11.997 -5.059 -4.332 1.00 0.27 H new ATOM 0 HA LEU B 53 -14.725 -5.128 -5.318 1.00 0.27 H new ATOM 0 HB2 LEU B 53 -13.851 -3.614 -3.478 1.00 0.27 H new ATOM 0 HB3 LEU B 53 -12.838 -2.799 -4.653 1.00 0.27 H new ATOM 0 HG LEU B 53 -14.925 -2.238 -5.981 1.00 0.32 H new ATOM 0 HD11 LEU B 53 -17.111 -2.399 -4.827 1.00 0.53 H new ATOM 0 HD12 LEU B 53 -16.398 -4.008 -5.094 1.00 0.53 H new ATOM 0 HD13 LEU B 53 -16.334 -3.262 -3.479 1.00 0.53 H new ATOM 0 HD21 LEU B 53 -15.661 -0.449 -4.399 1.00 0.38 H new ATOM 0 HD22 LEU B 53 -14.853 -1.308 -3.066 1.00 0.38 H new ATOM 0 HD23 LEU B 53 -13.890 -0.620 -4.395 1.00 0.38 H new ATOM 2348 N LYS B 54 -12.350 -4.239 -7.349 1.00 0.28 N ATOM 2349 CA LYS B 54 -12.134 -3.886 -8.777 1.00 0.32 C ATOM 2350 C LYS B 54 -12.414 -5.147 -9.577 1.00 0.34 C ATOM 2351 O LYS B 54 -12.863 -5.119 -10.706 1.00 0.36 O ATOM 2352 CB LYS B 54 -10.697 -3.340 -8.964 1.00 0.34 C ATOM 2353 CG LYS B 54 -9.720 -4.385 -9.530 1.00 0.96 C ATOM 2354 CD LYS B 54 -9.753 -4.355 -11.063 1.00 0.49 C ATOM 2355 CE LYS B 54 -8.973 -3.140 -11.592 1.00 0.49 C ATOM 2356 NZ LYS B 54 -7.719 -3.606 -12.247 1.00 0.99 N ATOM 0 H LYS B 54 -11.517 -4.518 -6.831 1.00 0.28 H new ATOM 0 HA LYS B 54 -12.797 -3.094 -9.124 1.00 0.32 H new ATOM 0 HB2 LYS B 54 -10.726 -2.480 -9.633 1.00 0.34 H new ATOM 0 HB3 LYS B 54 -10.323 -2.985 -8.004 1.00 0.34 H new ATOM 0 HG2 LYS B 54 -8.710 -4.181 -9.175 1.00 0.96 H new ATOM 0 HG3 LYS B 54 -9.989 -5.379 -9.171 1.00 0.96 H new ATOM 0 HD2 LYS B 54 -9.321 -5.274 -11.460 1.00 0.49 H new ATOM 0 HD3 LYS B 54 -10.785 -4.312 -11.410 1.00 0.49 H new ATOM 0 HE2 LYS B 54 -9.583 -2.584 -12.303 1.00 0.49 H new ATOM 0 HE3 LYS B 54 -8.738 -2.460 -10.773 1.00 0.49 H new ATOM 0 HZ1 LYS B 54 -7.189 -2.786 -12.606 1.00 0.99 H new ATOM 0 HZ2 LYS B 54 -7.136 -4.119 -11.555 1.00 0.99 H new ATOM 0 HZ3 LYS B 54 -7.955 -4.239 -13.038 1.00 0.99 H new ATOM 2370 N ASP B 55 -12.197 -6.256 -8.937 1.00 0.41 N ATOM 2371 CA ASP B 55 -12.477 -7.571 -9.553 1.00 0.47 C ATOM 2372 C ASP B 55 -13.944 -7.607 -9.911 1.00 0.47 C ATOM 2373 O ASP B 55 -14.408 -8.464 -10.635 1.00 0.52 O ATOM 2374 CB ASP B 55 -12.207 -8.646 -8.507 1.00 0.51 C ATOM 2375 CG ASP B 55 -11.168 -9.640 -9.026 1.00 0.66 C ATOM 2376 OD1 ASP B 55 -11.228 -9.974 -10.198 1.00 1.23 O ATOM 2377 OD2 ASP B 55 -10.332 -10.055 -8.241 1.00 1.46 O ATOM 0 H ASP B 55 -11.827 -6.304 -7.988 1.00 0.41 H new ATOM 0 HA ASP B 55 -11.860 -7.734 -10.437 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -11.851 -8.185 -7.585 1.00 0.51 H new ATOM 0 HB3 ASP B 55 -13.132 -9.169 -8.266 1.00 0.51 H new ATOM 2382 N ARG B 56 -14.688 -6.686 -9.375 1.00 0.42 N ATOM 2383 CA ARG B 56 -16.137 -6.670 -9.647 1.00 0.44 C ATOM 2384 C ARG B 56 -16.384 -6.134 -11.047 1.00 0.43 C ATOM 2385 O ARG B 56 -17.196 -6.662 -11.782 1.00 0.51 O ATOM 2386 CB ARG B 56 -16.816 -5.785 -8.606 1.00 0.54 C ATOM 2387 CG ARG B 56 -16.312 -6.173 -7.210 1.00 0.50 C ATOM 2388 CD ARG B 56 -16.790 -7.578 -6.833 1.00 0.64 C ATOM 2389 NE ARG B 56 -18.247 -7.714 -7.131 1.00 1.01 N ATOM 2390 CZ ARG B 56 -18.759 -8.882 -7.424 1.00 1.27 C ATOM 2391 NH1 ARG B 56 -18.000 -9.943 -7.469 1.00 1.51 N ATOM 2392 NH2 ARG B 56 -20.036 -8.988 -7.669 1.00 1.71 N ATOM 0 H ARG B 56 -14.350 -5.945 -8.761 1.00 0.42 H new ATOM 0 HA ARG B 56 -16.547 -7.678 -9.587 1.00 0.44 H new ATOM 0 HB2 ARG B 56 -16.599 -4.736 -8.806 1.00 0.54 H new ATOM 0 HB3 ARG B 56 -17.898 -5.903 -8.661 1.00 0.54 H new ATOM 0 HG2 ARG B 56 -15.223 -6.136 -7.188 1.00 0.50 H new ATOM 0 HG3 ARG B 56 -16.670 -5.452 -6.475 1.00 0.50 H new ATOM 0 HD2 ARG B 56 -16.224 -8.326 -7.389 1.00 0.64 H new ATOM 0 HD3 ARG B 56 -16.607 -7.762 -5.774 1.00 0.64 H new ATOM 0 HE ARG B 56 -18.848 -6.890 -7.106 1.00 1.01 H new ATOM 0 HH11 ARG B 56 -17.002 -9.864 -7.275 1.00 1.51 H new ATOM 0 HH12 ARG B 56 -18.405 -10.851 -7.698 1.00 1.51 H new ATOM 0 HH21 ARG B 56 -20.633 -8.162 -7.632 1.00 1.71 H new ATOM 0 HH22 ARG B 56 -20.438 -9.897 -7.898 1.00 1.71 H new ATOM 2406 N LEU B 57 -15.714 -5.083 -11.427 1.00 0.41 N ATOM 2407 CA LEU B 57 -15.959 -4.536 -12.786 1.00 0.48 C ATOM 2408 C LEU B 57 -14.736 -3.817 -13.350 1.00 0.43 C ATOM 2409 O LEU B 57 -14.623 -3.663 -14.548 1.00 0.44 O ATOM 2410 CB LEU B 57 -17.136 -3.553 -12.763 1.00 0.58 C ATOM 2411 CG LEU B 57 -17.428 -3.057 -11.342 1.00 1.20 C ATOM 2412 CD1 LEU B 57 -16.250 -2.230 -10.826 1.00 1.70 C ATOM 2413 CD2 LEU B 57 -18.680 -2.177 -11.371 1.00 1.77 C ATOM 0 H LEU B 57 -15.020 -4.588 -10.867 1.00 0.41 H new ATOM 0 HA LEU B 57 -16.186 -5.387 -13.428 1.00 0.48 H new ATOM 0 HB2 LEU B 57 -16.913 -2.703 -13.407 1.00 0.58 H new ATOM 0 HB3 LEU B 57 -18.024 -4.037 -13.170 1.00 0.58 H new ATOM 0 HG LEU B 57 -17.582 -3.913 -10.685 1.00 1.20 H new ATOM 0 HD11 LEU B 57 -16.465 -1.881 -9.816 1.00 1.70 H new ATOM 0 HD12 LEU B 57 -15.351 -2.846 -10.813 1.00 1.70 H new ATOM 0 HD13 LEU B 57 -16.093 -1.372 -11.480 1.00 1.70 H new ATOM 0 HD21 LEU B 57 -18.896 -1.819 -10.365 1.00 1.77 H new ATOM 0 HD22 LEU B 57 -18.511 -1.326 -12.031 1.00 1.77 H new ATOM 0 HD23 LEU B 57 -19.525 -2.759 -11.739 1.00 1.77 H new ATOM 2425 N GLY B 58 -13.812 -3.388 -12.537 1.00 0.39 N ATOM 2426 CA GLY B 58 -12.616 -2.693 -13.094 1.00 0.36 C ATOM 2427 C GLY B 58 -13.032 -1.368 -13.738 1.00 0.35 C ATOM 2428 O GLY B 58 -12.523 -0.318 -13.401 1.00 0.35 O ATOM 0 H GLY B 58 -13.831 -3.486 -11.522 1.00 0.39 H new ATOM 0 HA2 GLY B 58 -11.890 -2.509 -12.302 1.00 0.36 H new ATOM 0 HA3 GLY B 58 -12.128 -3.328 -13.833 1.00 0.36 H new ATOM 2432 N ASP B 59 -13.941 -1.411 -14.671 1.00 0.40 N ATOM 2433 CA ASP B 59 -14.377 -0.162 -15.348 1.00 0.44 C ATOM 2434 C ASP B 59 -15.171 0.708 -14.377 1.00 0.38 C ATOM 2435 O ASP B 59 -14.992 1.905 -14.323 1.00 0.40 O ATOM 2436 CB ASP B 59 -15.265 -0.523 -16.540 1.00 0.53 C ATOM 2437 CG ASP B 59 -14.735 0.159 -17.801 1.00 0.63 C ATOM 2438 OD1 ASP B 59 -15.023 1.331 -17.983 1.00 1.40 O ATOM 2439 OD2 ASP B 59 -14.052 -0.501 -18.566 1.00 1.11 O ATOM 0 H ASP B 59 -14.402 -2.262 -14.994 1.00 0.40 H new ATOM 0 HA ASP B 59 -13.500 0.389 -15.687 1.00 0.44 H new ATOM 0 HB2 ASP B 59 -15.282 -1.604 -16.679 1.00 0.53 H new ATOM 0 HB3 ASP B 59 -16.292 -0.210 -16.349 1.00 0.53 H new ATOM 2444 N GLY B 60 -16.051 0.122 -13.617 1.00 0.34 N ATOM 2445 CA GLY B 60 -16.858 0.926 -12.663 1.00 0.31 C ATOM 2446 C GLY B 60 -16.061 1.170 -11.386 1.00 0.29 C ATOM 2447 O GLY B 60 -16.621 1.391 -10.334 1.00 0.28 O ATOM 0 H GLY B 60 -16.246 -0.879 -13.616 1.00 0.34 H new ATOM 0 HA2 GLY B 60 -17.133 1.878 -13.118 1.00 0.31 H new ATOM 0 HA3 GLY B 60 -17.786 0.405 -12.429 1.00 0.31 H new ATOM 2451 N VAL B 61 -14.758 1.136 -11.462 1.00 0.29 N ATOM 2452 CA VAL B 61 -13.926 1.364 -10.253 1.00 0.28 C ATOM 2453 C VAL B 61 -12.618 2.016 -10.711 1.00 0.30 C ATOM 2454 O VAL B 61 -11.992 1.568 -11.652 1.00 0.46 O ATOM 2455 CB VAL B 61 -13.636 0.017 -9.568 1.00 0.30 C ATOM 2456 CG1 VAL B 61 -12.196 -0.022 -9.038 1.00 0.44 C ATOM 2457 CG2 VAL B 61 -14.601 -0.171 -8.397 1.00 0.39 C ATOM 0 H VAL B 61 -14.233 0.958 -12.318 1.00 0.29 H new ATOM 0 HA VAL B 61 -14.441 2.008 -9.540 1.00 0.28 H new ATOM 0 HB VAL B 61 -13.766 -0.781 -10.299 1.00 0.30 H new ATOM 0 HG11 VAL B 61 -12.011 -0.983 -8.557 1.00 0.44 H new ATOM 0 HG12 VAL B 61 -11.500 0.109 -9.866 1.00 0.44 H new ATOM 0 HG13 VAL B 61 -12.053 0.780 -8.313 1.00 0.44 H new ATOM 0 HG21 VAL B 61 -14.399 -1.124 -7.909 1.00 0.39 H new ATOM 0 HG22 VAL B 61 -14.466 0.639 -7.681 1.00 0.39 H new ATOM 0 HG23 VAL B 61 -15.627 -0.162 -8.766 1.00 0.39 H new ATOM 2467 N GLN B 62 -12.231 3.092 -10.081 1.00 0.28 N ATOM 2468 CA GLN B 62 -10.995 3.811 -10.501 1.00 0.30 C ATOM 2469 C GLN B 62 -10.102 4.133 -9.305 1.00 0.29 C ATOM 2470 O GLN B 62 -10.534 4.176 -8.175 1.00 0.27 O ATOM 2471 CB GLN B 62 -11.401 5.130 -11.144 1.00 0.31 C ATOM 2472 CG GLN B 62 -11.313 5.020 -12.659 1.00 0.41 C ATOM 2473 CD GLN B 62 -9.847 4.903 -13.086 1.00 0.56 C ATOM 2474 OE1 GLN B 62 -8.957 4.933 -12.259 1.00 1.26 O ATOM 2475 NE2 GLN B 62 -9.558 4.771 -14.351 1.00 1.42 N ATOM 0 H GLN B 62 -12.722 3.506 -9.288 1.00 0.28 H new ATOM 0 HA GLN B 62 -10.445 3.172 -11.192 1.00 0.30 H new ATOM 0 HB2 GLN B 62 -12.417 5.390 -10.849 1.00 0.31 H new ATOM 0 HB3 GLN B 62 -10.752 5.931 -10.791 1.00 0.31 H new ATOM 0 HG2 GLN B 62 -11.872 4.150 -13.003 1.00 0.41 H new ATOM 0 HG3 GLN B 62 -11.768 5.895 -13.123 1.00 0.41 H new ATOM 0 HE21 GLN B 62 -10.305 4.746 -15.045 1.00 1.42 H new ATOM 0 HE22 GLN B 62 -8.585 4.693 -14.646 1.00 1.42 H new ATOM 2484 N LEU B 63 -8.849 4.367 -9.569 1.00 0.33 N ATOM 2485 CA LEU B 63 -7.880 4.707 -8.489 1.00 0.33 C ATOM 2486 C LEU B 63 -7.669 6.226 -8.486 1.00 0.34 C ATOM 2487 O LEU B 63 -7.122 6.774 -9.422 1.00 0.39 O ATOM 2488 CB LEU B 63 -6.548 4.008 -8.791 1.00 0.36 C ATOM 2489 CG LEU B 63 -5.742 3.797 -7.505 1.00 0.36 C ATOM 2490 CD1 LEU B 63 -5.908 2.352 -7.038 1.00 0.54 C ATOM 2491 CD2 LEU B 63 -4.260 4.067 -7.786 1.00 0.52 C ATOM 0 H LEU B 63 -8.446 4.337 -10.506 1.00 0.33 H new ATOM 0 HA LEU B 63 -8.255 4.383 -7.518 1.00 0.33 H new ATOM 0 HB2 LEU B 63 -6.736 3.047 -9.270 1.00 0.36 H new ATOM 0 HB3 LEU B 63 -5.969 4.606 -9.495 1.00 0.36 H new ATOM 0 HG LEU B 63 -6.100 4.478 -6.733 1.00 0.36 H new ATOM 0 HD11 LEU B 63 -5.336 2.197 -6.123 1.00 0.54 H new ATOM 0 HD12 LEU B 63 -6.962 2.151 -6.846 1.00 0.54 H new ATOM 0 HD13 LEU B 63 -5.545 1.676 -7.812 1.00 0.54 H new ATOM 0 HD21 LEU B 63 -3.684 3.918 -6.873 1.00 0.52 H new ATOM 0 HD22 LEU B 63 -3.905 3.382 -8.556 1.00 0.52 H new ATOM 0 HD23 LEU B 63 -4.136 5.094 -8.130 1.00 0.52 H new ATOM 2503 N VAL B 64 -8.102 6.911 -7.460 1.00 0.33 N ATOM 2504 CA VAL B 64 -7.923 8.397 -7.432 1.00 0.37 C ATOM 2505 C VAL B 64 -6.699 8.769 -6.603 1.00 0.36 C ATOM 2506 O VAL B 64 -6.129 9.827 -6.786 1.00 0.41 O ATOM 2507 CB VAL B 64 -9.141 9.109 -6.830 1.00 0.41 C ATOM 2508 CG1 VAL B 64 -10.030 9.652 -7.953 1.00 1.08 C ATOM 2509 CG2 VAL B 64 -9.940 8.162 -5.922 1.00 1.43 C ATOM 0 H VAL B 64 -8.568 6.512 -6.645 1.00 0.33 H new ATOM 0 HA VAL B 64 -7.798 8.718 -8.466 1.00 0.37 H new ATOM 0 HB VAL B 64 -8.790 9.940 -6.218 1.00 0.41 H new ATOM 0 HG11 VAL B 64 -10.894 10.157 -7.521 1.00 1.08 H new ATOM 0 HG12 VAL B 64 -9.461 10.359 -8.558 1.00 1.08 H new ATOM 0 HG13 VAL B 64 -10.368 8.827 -8.580 1.00 1.08 H new ATOM 0 HG21 VAL B 64 -10.798 8.692 -5.508 1.00 1.43 H new ATOM 0 HG22 VAL B 64 -10.287 7.308 -6.503 1.00 1.43 H new ATOM 0 HG23 VAL B 64 -9.303 7.813 -5.109 1.00 1.43 H new ATOM 2519 N ASN B 65 -6.271 7.934 -5.694 1.00 0.32 N ATOM 2520 CA ASN B 65 -5.077 8.298 -4.889 1.00 0.34 C ATOM 2521 C ASN B 65 -4.683 7.120 -4.003 1.00 0.30 C ATOM 2522 O ASN B 65 -5.510 6.324 -3.610 1.00 0.28 O ATOM 2523 CB ASN B 65 -5.419 9.501 -4.017 1.00 0.36 C ATOM 2524 CG ASN B 65 -4.566 10.699 -4.437 1.00 0.48 C ATOM 2525 OD1 ASN B 65 -5.061 11.630 -5.039 1.00 1.28 O ATOM 2526 ND2 ASN B 65 -3.294 10.713 -4.145 1.00 1.09 N ATOM 0 H ASN B 65 -6.691 7.030 -5.478 1.00 0.32 H new ATOM 0 HA ASN B 65 -4.245 8.544 -5.549 1.00 0.34 H new ATOM 0 HB2 ASN B 65 -6.477 9.744 -4.114 1.00 0.36 H new ATOM 0 HB3 ASN B 65 -5.241 9.265 -2.968 1.00 0.36 H new ATOM 0 HD21 ASN B 65 -2.716 11.506 -4.423 1.00 1.09 H new ATOM 0 HD22 ASN B 65 -2.878 9.931 -3.639 1.00 1.09 H new ATOM 2533 N VAL B 66 -3.421 7.004 -3.688 1.00 0.29 N ATOM 2534 CA VAL B 66 -2.956 5.878 -2.832 1.00 0.26 C ATOM 2535 C VAL B 66 -1.642 6.280 -2.164 1.00 0.27 C ATOM 2536 O VAL B 66 -0.743 6.791 -2.802 1.00 0.31 O ATOM 2537 CB VAL B 66 -2.700 4.635 -3.693 1.00 0.30 C ATOM 2538 CG1 VAL B 66 -2.131 3.519 -2.814 1.00 0.90 C ATOM 2539 CG2 VAL B 66 -4.004 4.151 -4.329 1.00 0.66 C ATOM 0 H VAL B 66 -2.688 7.646 -3.990 1.00 0.29 H new ATOM 0 HA VAL B 66 -3.719 5.655 -2.086 1.00 0.26 H new ATOM 0 HB VAL B 66 -1.992 4.892 -4.480 1.00 0.30 H new ATOM 0 HG11 VAL B 66 -1.948 2.634 -3.423 1.00 0.90 H new ATOM 0 HG12 VAL B 66 -1.195 3.851 -2.365 1.00 0.90 H new ATOM 0 HG13 VAL B 66 -2.845 3.276 -2.027 1.00 0.90 H new ATOM 0 HG21 VAL B 66 -3.806 3.268 -4.937 1.00 0.66 H new ATOM 0 HG22 VAL B 66 -4.719 3.900 -3.546 1.00 0.66 H new ATOM 0 HG23 VAL B 66 -4.417 4.940 -4.958 1.00 0.66 H new ATOM 2549 N GLN B 67 -1.531 6.061 -0.885 1.00 0.25 N ATOM 2550 CA GLN B 67 -0.276 6.442 -0.186 1.00 0.28 C ATOM 2551 C GLN B 67 0.038 5.462 0.934 1.00 0.25 C ATOM 2552 O GLN B 67 -0.783 4.671 1.353 1.00 0.23 O ATOM 2553 CB GLN B 67 -0.416 7.846 0.404 1.00 0.29 C ATOM 2554 CG GLN B 67 0.900 8.258 1.072 1.00 0.37 C ATOM 2555 CD GLN B 67 0.954 9.783 1.194 1.00 0.64 C ATOM 2556 OE1 GLN B 67 1.133 10.475 0.211 1.00 1.11 O ATOM 2557 NE2 GLN B 67 0.805 10.338 2.365 1.00 1.44 N ATOM 0 H GLN B 67 -2.250 5.638 -0.298 1.00 0.25 H new ATOM 0 HA GLN B 67 0.537 6.423 -0.912 1.00 0.28 H new ATOM 0 HB2 GLN B 67 -0.675 8.557 -0.381 1.00 0.29 H new ATOM 0 HB3 GLN B 67 -1.227 7.866 1.132 1.00 0.29 H new ATOM 0 HG2 GLN B 67 0.979 7.800 2.058 1.00 0.37 H new ATOM 0 HG3 GLN B 67 1.746 7.899 0.486 1.00 0.37 H new ATOM 0 HE21 GLN B 67 0.655 9.757 3.190 1.00 1.44 H new ATOM 0 HE22 GLN B 67 0.839 11.353 2.456 1.00 1.44 H new ATOM 2566 N THR B 68 1.246 5.527 1.403 1.00 0.26 N ATOM 2567 CA THR B 68 1.688 4.626 2.491 1.00 0.26 C ATOM 2568 C THR B 68 2.464 5.437 3.508 1.00 0.25 C ATOM 2569 O THR B 68 3.051 6.451 3.191 1.00 0.33 O ATOM 2570 CB THR B 68 2.603 3.540 1.917 1.00 0.33 C ATOM 2571 OG1 THR B 68 3.325 4.068 0.814 1.00 0.42 O ATOM 2572 CG2 THR B 68 1.777 2.347 1.456 1.00 0.45 C ATOM 0 H THR B 68 1.958 6.178 1.072 1.00 0.26 H new ATOM 0 HA THR B 68 0.821 4.161 2.960 1.00 0.26 H new ATOM 0 HB THR B 68 3.297 3.213 2.691 1.00 0.33 H new ATOM 0 HG1 THR B 68 4.173 4.445 1.128 1.00 0.42 H new ATOM 0 HG21 THR B 68 2.438 1.582 1.050 1.00 0.45 H new ATOM 0 HG22 THR B 68 1.225 1.938 2.302 1.00 0.45 H new ATOM 0 HG23 THR B 68 1.075 2.666 0.685 1.00 0.45 H new ATOM 2580 N GLY B 69 2.501 4.988 4.723 1.00 0.24 N ATOM 2581 CA GLY B 69 3.269 5.709 5.768 1.00 0.28 C ATOM 2582 C GLY B 69 3.184 4.890 7.059 1.00 0.26 C ATOM 2583 O GLY B 69 2.250 4.145 7.244 1.00 0.29 O ATOM 0 H GLY B 69 2.027 4.143 5.042 1.00 0.24 H new ATOM 0 HA2 GLY B 69 4.308 5.833 5.462 1.00 0.28 H new ATOM 0 HA3 GLY B 69 2.861 6.708 5.922 1.00 0.28 H new ATOM 2587 N SER B 70 4.148 4.991 7.935 1.00 0.24 N ATOM 2588 CA SER B 70 4.094 4.215 9.210 1.00 0.25 C ATOM 2589 C SER B 70 3.530 5.106 10.325 1.00 0.29 C ATOM 2590 O SER B 70 3.615 6.316 10.258 1.00 0.31 O ATOM 2591 CB SER B 70 5.495 3.738 9.589 1.00 0.27 C ATOM 2592 OG SER B 70 6.418 4.799 9.400 1.00 0.39 O ATOM 0 H SER B 70 4.974 5.579 7.823 1.00 0.24 H new ATOM 0 HA SER B 70 3.449 3.347 9.077 1.00 0.25 H new ATOM 0 HB2 SER B 70 5.511 3.408 10.628 1.00 0.27 H new ATOM 0 HB3 SER B 70 5.778 2.881 8.978 1.00 0.27 H new ATOM 0 HG SER B 70 7.242 4.449 9.002 1.00 0.39 H new ATOM 2598 N GLU B 71 2.963 4.526 11.355 1.00 0.32 N ATOM 2599 CA GLU B 71 2.410 5.362 12.460 1.00 0.39 C ATOM 2600 C GLU B 71 2.516 4.617 13.780 1.00 0.40 C ATOM 2601 O GLU B 71 2.791 3.435 13.823 1.00 0.37 O ATOM 2602 CB GLU B 71 0.937 5.676 12.205 1.00 0.40 C ATOM 2603 CG GLU B 71 0.098 4.397 12.290 1.00 0.49 C ATOM 2604 CD GLU B 71 -0.636 4.361 13.628 1.00 0.68 C ATOM 2605 OE1 GLU B 71 -1.553 5.146 13.801 1.00 1.26 O ATOM 2606 OE2 GLU B 71 -0.268 3.552 14.458 1.00 1.49 O ATOM 0 H GLU B 71 2.861 3.518 11.476 1.00 0.32 H new ATOM 0 HA GLU B 71 2.984 6.288 12.503 1.00 0.39 H new ATOM 0 HB2 GLU B 71 0.581 6.402 12.936 1.00 0.40 H new ATOM 0 HB3 GLU B 71 0.820 6.131 11.221 1.00 0.40 H new ATOM 0 HG2 GLU B 71 -0.618 4.363 11.469 1.00 0.49 H new ATOM 0 HG3 GLU B 71 0.739 3.521 12.190 1.00 0.49 H new ATOM 2613 N VAL B 72 2.323 5.312 14.861 1.00 0.45 N ATOM 2614 CA VAL B 72 2.434 4.661 16.184 1.00 0.49 C ATOM 2615 C VAL B 72 1.082 4.104 16.622 1.00 0.52 C ATOM 2616 O VAL B 72 0.056 4.742 16.488 1.00 0.71 O ATOM 2617 CB VAL B 72 2.928 5.674 17.216 1.00 0.59 C ATOM 2618 CG1 VAL B 72 3.880 4.982 18.192 1.00 0.56 C ATOM 2619 CG2 VAL B 72 3.666 6.807 16.502 1.00 0.87 C ATOM 0 H VAL B 72 2.093 6.305 14.882 1.00 0.45 H new ATOM 0 HA VAL B 72 3.145 3.838 16.109 1.00 0.49 H new ATOM 0 HB VAL B 72 2.078 6.081 17.764 1.00 0.59 H new ATOM 0 HG11 VAL B 72 4.233 5.703 18.929 1.00 0.56 H new ATOM 0 HG12 VAL B 72 3.356 4.172 18.699 1.00 0.56 H new ATOM 0 HG13 VAL B 72 4.731 4.576 17.645 1.00 0.56 H new ATOM 0 HG21 VAL B 72 4.019 7.531 17.236 1.00 0.87 H new ATOM 0 HG22 VAL B 72 4.517 6.400 15.956 1.00 0.87 H new ATOM 0 HG23 VAL B 72 2.989 7.299 15.804 1.00 0.87 H new ATOM 2629 N ARG B 73 1.085 2.916 17.157 1.00 0.47 N ATOM 2630 CA ARG B 73 -0.189 2.300 17.625 1.00 0.50 C ATOM 2631 C ARG B 73 0.091 1.423 18.843 1.00 0.54 C ATOM 2632 O ARG B 73 0.574 0.316 18.722 1.00 0.55 O ATOM 2633 CB ARG B 73 -0.792 1.439 16.515 1.00 0.49 C ATOM 2634 CG ARG B 73 -2.228 1.892 16.243 1.00 0.62 C ATOM 2635 CD ARG B 73 -2.807 1.088 15.079 1.00 0.72 C ATOM 2636 NE ARG B 73 -4.257 1.400 14.932 1.00 0.90 N ATOM 2637 CZ ARG B 73 -5.133 0.827 15.713 1.00 1.40 C ATOM 2638 NH1 ARG B 73 -4.741 -0.025 16.621 1.00 2.18 N ATOM 2639 NH2 ARG B 73 -6.403 1.105 15.586 1.00 1.68 N ATOM 0 H ARG B 73 1.918 2.342 17.291 1.00 0.47 H new ATOM 0 HA ARG B 73 -0.891 3.090 17.889 1.00 0.50 H new ATOM 0 HB2 ARG B 73 -0.194 1.525 15.608 1.00 0.49 H new ATOM 0 HB3 ARG B 73 -0.779 0.389 16.807 1.00 0.49 H new ATOM 0 HG2 ARG B 73 -2.839 1.752 17.135 1.00 0.62 H new ATOM 0 HG3 ARG B 73 -2.246 2.956 16.008 1.00 0.62 H new ATOM 0 HD2 ARG B 73 -2.277 1.329 14.157 1.00 0.72 H new ATOM 0 HD3 ARG B 73 -2.670 0.021 15.256 1.00 0.72 H new ATOM 0 HE ARG B 73 -4.566 2.062 14.220 1.00 0.90 H new ATOM 0 HH11 ARG B 73 -3.750 -0.244 16.721 1.00 2.18 H new ATOM 0 HH12 ARG B 73 -5.426 -0.472 17.230 1.00 2.18 H new ATOM 0 HH21 ARG B 73 -6.711 1.770 14.877 1.00 1.68 H new ATOM 0 HH22 ARG B 73 -7.087 0.657 16.196 1.00 1.68 H new ATOM 2653 N ASP B 74 -0.209 1.928 20.012 1.00 0.59 N ATOM 2654 CA ASP B 74 0.020 1.160 21.271 1.00 0.65 C ATOM 2655 C ASP B 74 1.477 1.318 21.705 1.00 0.65 C ATOM 2656 O ASP B 74 2.105 0.379 22.153 1.00 0.67 O ATOM 2657 CB ASP B 74 -0.302 -0.319 21.056 1.00 0.66 C ATOM 2658 CG ASP B 74 -0.807 -0.927 22.365 1.00 0.76 C ATOM 2659 OD1 ASP B 74 0.021 -1.313 23.174 1.00 1.35 O ATOM 2660 OD2 ASP B 74 -2.013 -1.000 22.537 1.00 1.25 O ATOM 0 H ASP B 74 -0.610 2.856 20.148 1.00 0.59 H new ATOM 0 HA ASP B 74 -0.636 1.549 22.050 1.00 0.65 H new ATOM 0 HB2 ASP B 74 -1.057 -0.428 20.277 1.00 0.66 H new ATOM 0 HB3 ASP B 74 0.587 -0.850 20.715 1.00 0.66 H new ATOM 2665 N ARG B 75 2.019 2.501 21.561 1.00 0.64 N ATOM 2666 CA ARG B 75 3.440 2.748 21.951 1.00 0.66 C ATOM 2667 C ARG B 75 4.359 1.890 21.080 1.00 0.60 C ATOM 2668 O ARG B 75 5.422 1.471 21.488 1.00 0.65 O ATOM 2669 CB ARG B 75 3.654 2.441 23.440 1.00 0.75 C ATOM 2670 CG ARG B 75 3.672 3.753 24.226 1.00 0.85 C ATOM 2671 CD ARG B 75 2.387 4.531 23.946 1.00 0.86 C ATOM 2672 NE ARG B 75 1.923 5.198 25.196 1.00 1.19 N ATOM 2673 CZ ARG B 75 1.280 4.514 26.102 1.00 1.81 C ATOM 2674 NH1 ARG B 75 1.042 3.244 25.915 1.00 2.57 N ATOM 2675 NH2 ARG B 75 0.875 5.098 27.196 1.00 2.18 N ATOM 0 H ARG B 75 1.532 3.315 21.186 1.00 0.64 H new ATOM 0 HA ARG B 75 3.679 3.800 21.793 1.00 0.66 H new ATOM 0 HB2 ARG B 75 2.858 1.793 23.808 1.00 0.75 H new ATOM 0 HB3 ARG B 75 4.592 1.905 23.582 1.00 0.75 H new ATOM 0 HG2 ARG B 75 3.761 3.549 25.293 1.00 0.85 H new ATOM 0 HG3 ARG B 75 4.540 4.348 23.941 1.00 0.85 H new ATOM 0 HD2 ARG B 75 2.562 5.275 23.169 1.00 0.86 H new ATOM 0 HD3 ARG B 75 1.616 3.857 23.574 1.00 0.86 H new ATOM 0 HE ARG B 75 2.108 6.190 25.343 1.00 1.19 H new ATOM 0 HH11 ARG B 75 1.359 2.786 25.060 1.00 2.57 H new ATOM 0 HH12 ARG B 75 0.539 2.710 26.624 1.00 2.57 H new ATOM 0 HH21 ARG B 75 1.061 6.090 27.343 1.00 2.18 H new ATOM 0 HH22 ARG B 75 0.372 4.563 27.904 1.00 2.18 H new ATOM 2689 N ARG B 76 3.962 1.663 19.861 1.00 0.50 N ATOM 2690 CA ARG B 76 4.812 0.867 18.938 1.00 0.44 C ATOM 2691 C ARG B 76 4.569 1.330 17.509 1.00 0.40 C ATOM 2692 O ARG B 76 3.530 1.860 17.183 1.00 0.39 O ATOM 2693 CB ARG B 76 4.471 -0.614 19.002 1.00 0.45 C ATOM 2694 CG ARG B 76 5.708 -1.430 19.404 1.00 0.62 C ATOM 2695 CD ARG B 76 6.104 -1.132 20.853 1.00 1.29 C ATOM 2696 NE ARG B 76 6.729 -2.347 21.451 1.00 1.55 N ATOM 2697 CZ ARG B 76 7.220 -2.303 22.659 1.00 2.38 C ATOM 2698 NH1 ARG B 76 7.171 -1.193 23.345 1.00 3.14 N ATOM 2699 NH2 ARG B 76 7.761 -3.369 23.183 1.00 2.85 N ATOM 0 H ARG B 76 3.083 1.995 19.464 1.00 0.50 H new ATOM 0 HA ARG B 76 5.850 1.012 19.238 1.00 0.44 H new ATOM 0 HB2 ARG B 76 3.669 -0.778 19.722 1.00 0.45 H new ATOM 0 HB3 ARG B 76 4.104 -0.952 18.033 1.00 0.45 H new ATOM 0 HG2 ARG B 76 5.501 -2.494 19.290 1.00 0.62 H new ATOM 0 HG3 ARG B 76 6.538 -1.193 18.739 1.00 0.62 H new ATOM 0 HD2 ARG B 76 6.802 -0.295 20.887 1.00 1.29 H new ATOM 0 HD3 ARG B 76 5.227 -0.839 21.429 1.00 1.29 H new ATOM 0 HE ARG B 76 6.773 -3.214 20.915 1.00 1.55 H new ATOM 0 HH11 ARG B 76 6.749 -0.359 22.937 1.00 3.14 H new ATOM 0 HH12 ARG B 76 7.555 -1.160 24.289 1.00 3.14 H new ATOM 0 HH21 ARG B 76 7.800 -4.237 22.648 1.00 2.85 H new ATOM 0 HH22 ARG B 76 8.145 -3.334 24.127 1.00 2.85 H new ATOM 2713 N ARG B 77 5.538 1.150 16.668 1.00 0.38 N ATOM 2714 CA ARG B 77 5.390 1.608 15.258 1.00 0.34 C ATOM 2715 C ARG B 77 4.757 0.525 14.399 1.00 0.30 C ATOM 2716 O ARG B 77 5.101 -0.637 14.480 1.00 0.32 O ATOM 2717 CB ARG B 77 6.758 1.962 14.669 1.00 0.36 C ATOM 2718 CG ARG B 77 6.581 2.825 13.404 1.00 0.47 C ATOM 2719 CD ARG B 77 7.016 4.263 13.693 1.00 0.48 C ATOM 2720 NE ARG B 77 7.034 5.056 12.428 1.00 1.12 N ATOM 2721 CZ ARG B 77 8.129 5.143 11.716 1.00 1.45 C ATOM 2722 NH1 ARG B 77 9.193 4.463 12.051 1.00 1.69 N ATOM 2723 NH2 ARG B 77 8.154 5.902 10.654 1.00 2.39 N ATOM 0 H ARG B 77 6.429 0.706 16.891 1.00 0.38 H new ATOM 0 HA ARG B 77 4.747 2.488 15.262 1.00 0.34 H new ATOM 0 HB2 ARG B 77 7.352 2.501 15.407 1.00 0.36 H new ATOM 0 HB3 ARG B 77 7.304 1.051 14.424 1.00 0.36 H new ATOM 0 HG2 ARG B 77 7.173 2.414 12.586 1.00 0.47 H new ATOM 0 HG3 ARG B 77 5.539 2.808 13.084 1.00 0.47 H new ATOM 0 HD2 ARG B 77 6.334 4.721 14.409 1.00 0.48 H new ATOM 0 HD3 ARG B 77 8.006 4.267 14.149 1.00 0.48 H new ATOM 0 HE ARG B 77 6.188 5.533 12.117 1.00 1.12 H new ATOM 0 HH11 ARG B 77 9.174 3.859 12.873 1.00 1.69 H new ATOM 0 HH12 ARG B 77 10.042 4.536 11.491 1.00 1.69 H new ATOM 0 HH21 ARG B 77 7.322 6.425 10.381 1.00 2.39 H new ATOM 0 HH22 ARG B 77 9.006 5.972 10.097 1.00 2.39 H new ATOM 2737 N ILE B 78 3.829 0.918 13.573 1.00 0.26 N ATOM 2738 CA ILE B 78 3.147 -0.053 12.683 1.00 0.23 C ATOM 2739 C ILE B 78 3.033 0.556 11.289 1.00 0.21 C ATOM 2740 O ILE B 78 3.035 1.760 11.122 1.00 0.22 O ATOM 2741 CB ILE B 78 1.746 -0.358 13.246 1.00 0.24 C ATOM 2742 CG1 ILE B 78 1.129 -1.571 12.530 1.00 0.26 C ATOM 2743 CG2 ILE B 78 0.814 0.849 13.073 1.00 0.32 C ATOM 2744 CD1 ILE B 78 0.079 -2.219 13.437 1.00 0.58 C ATOM 0 H ILE B 78 3.512 1.883 13.478 1.00 0.26 H new ATOM 0 HA ILE B 78 3.716 -0.981 12.627 1.00 0.23 H new ATOM 0 HB ILE B 78 1.857 -0.578 14.308 1.00 0.24 H new ATOM 0 HG12 ILE B 78 0.671 -1.259 11.591 1.00 0.26 H new ATOM 0 HG13 ILE B 78 1.906 -2.294 12.281 1.00 0.26 H new ATOM 0 HG21 ILE B 78 -0.169 0.610 13.478 1.00 0.32 H new ATOM 0 HG22 ILE B 78 1.227 1.707 13.604 1.00 0.32 H new ATOM 0 HG23 ILE B 78 0.722 1.089 12.014 1.00 0.32 H new ATOM 0 HD11 ILE B 78 -0.359 -3.079 12.930 1.00 0.58 H new ATOM 0 HD12 ILE B 78 0.551 -2.545 14.364 1.00 0.58 H new ATOM 0 HD13 ILE B 78 -0.703 -1.494 13.663 1.00 0.58 H new ATOM 2756 N SER B 79 2.968 -0.264 10.286 1.00 0.20 N ATOM 2757 CA SER B 79 2.896 0.260 8.901 1.00 0.19 C ATOM 2758 C SER B 79 1.434 0.506 8.537 1.00 0.20 C ATOM 2759 O SER B 79 0.543 -0.144 9.045 1.00 0.22 O ATOM 2760 CB SER B 79 3.504 -0.774 7.946 1.00 0.22 C ATOM 2761 OG SER B 79 3.845 -1.942 8.677 1.00 0.61 O ATOM 0 H SER B 79 2.962 -1.281 10.366 1.00 0.20 H new ATOM 0 HA SER B 79 3.449 1.196 8.822 1.00 0.19 H new ATOM 0 HB2 SER B 79 2.794 -1.019 7.157 1.00 0.22 H new ATOM 0 HB3 SER B 79 4.389 -0.363 7.461 1.00 0.22 H new ATOM 0 HG SER B 79 4.701 -2.292 8.354 1.00 0.61 H new ATOM 2767 N TYR B 80 1.185 1.445 7.661 1.00 0.23 N ATOM 2768 CA TYR B 80 -0.226 1.728 7.270 1.00 0.29 C ATOM 2769 C TYR B 80 -0.301 2.102 5.798 1.00 0.29 C ATOM 2770 O TYR B 80 0.630 2.632 5.224 1.00 0.27 O ATOM 2771 CB TYR B 80 -0.848 2.828 8.173 1.00 0.41 C ATOM 2772 CG TYR B 80 -0.343 4.224 7.846 1.00 0.94 C ATOM 2773 CD1 TYR B 80 -0.732 4.868 6.658 1.00 1.63 C ATOM 2774 CD2 TYR B 80 0.494 4.891 8.752 1.00 1.88 C ATOM 2775 CE1 TYR B 80 -0.272 6.161 6.380 1.00 2.58 C ATOM 2776 CE2 TYR B 80 0.948 6.187 8.467 1.00 2.80 C ATOM 2777 CZ TYR B 80 0.567 6.817 7.281 1.00 3.04 C ATOM 2778 OH TYR B 80 1.015 8.093 7.003 1.00 4.08 O ATOM 0 H TYR B 80 1.891 2.022 7.204 1.00 0.23 H new ATOM 0 HA TYR B 80 -0.814 0.822 7.417 1.00 0.29 H new ATOM 0 HB2 TYR B 80 -1.933 2.806 8.067 1.00 0.41 H new ATOM 0 HB3 TYR B 80 -0.625 2.603 9.216 1.00 0.41 H new ATOM 0 HD1 TYR B 80 -1.385 4.365 5.960 1.00 1.63 H new ATOM 0 HD2 TYR B 80 0.789 4.406 9.671 1.00 1.88 H new ATOM 0 HE1 TYR B 80 -0.568 6.652 5.465 1.00 2.58 H new ATOM 0 HE2 TYR B 80 1.593 6.698 9.166 1.00 2.80 H new ATOM 0 HH TYR B 80 1.589 8.405 7.734 1.00 4.08 H new ATOM 2788 N ILE B 81 -1.421 1.805 5.189 1.00 0.31 N ATOM 2789 CA ILE B 81 -1.613 2.105 3.744 1.00 0.32 C ATOM 2790 C ILE B 81 -2.881 2.924 3.547 1.00 0.31 C ATOM 2791 O ILE B 81 -3.923 2.633 4.112 1.00 0.31 O ATOM 2792 CB ILE B 81 -1.751 0.798 2.960 1.00 0.35 C ATOM 2793 CG1 ILE B 81 -1.763 1.097 1.455 1.00 0.70 C ATOM 2794 CG2 ILE B 81 -3.064 0.112 3.344 1.00 0.90 C ATOM 2795 CD1 ILE B 81 -2.066 -0.185 0.680 1.00 0.69 C ATOM 0 H ILE B 81 -2.220 1.361 5.642 1.00 0.31 H new ATOM 0 HA ILE B 81 -0.750 2.667 3.386 1.00 0.32 H new ATOM 0 HB ILE B 81 -0.910 0.146 3.196 1.00 0.35 H new ATOM 0 HG12 ILE B 81 -2.513 1.855 1.231 1.00 0.70 H new ATOM 0 HG13 ILE B 81 -0.799 1.501 1.147 1.00 0.70 H new ATOM 0 HG21 ILE B 81 -3.164 -0.819 2.787 1.00 0.90 H new ATOM 0 HG22 ILE B 81 -3.063 -0.103 4.413 1.00 0.90 H new ATOM 0 HG23 ILE B 81 -3.901 0.769 3.107 1.00 0.90 H new ATOM 0 HD11 ILE B 81 -2.074 0.029 -0.389 1.00 0.69 H new ATOM 0 HD12 ILE B 81 -1.300 -0.930 0.895 1.00 0.69 H new ATOM 0 HD13 ILE B 81 -3.041 -0.570 0.980 1.00 0.69 H new ATOM 2807 N LEU B 82 -2.791 3.936 2.731 1.00 0.30 N ATOM 2808 CA LEU B 82 -3.966 4.794 2.440 1.00 0.29 C ATOM 2809 C LEU B 82 -4.393 4.502 0.999 1.00 0.27 C ATOM 2810 O LEU B 82 -3.600 4.648 0.089 1.00 0.30 O ATOM 2811 CB LEU B 82 -3.543 6.257 2.564 1.00 0.31 C ATOM 2812 CG LEU B 82 -2.626 6.438 3.774 1.00 0.33 C ATOM 2813 CD1 LEU B 82 -2.218 7.910 3.885 1.00 0.34 C ATOM 2814 CD2 LEU B 82 -3.377 6.023 5.043 1.00 0.37 C ATOM 0 H LEU B 82 -1.936 4.207 2.246 1.00 0.30 H new ATOM 0 HA LEU B 82 -4.787 4.598 3.130 1.00 0.29 H new ATOM 0 HB2 LEU B 82 -3.028 6.573 1.657 1.00 0.31 H new ATOM 0 HB3 LEU B 82 -4.424 6.891 2.667 1.00 0.31 H new ATOM 0 HG LEU B 82 -1.736 5.820 3.656 1.00 0.33 H new ATOM 0 HD11 LEU B 82 -1.564 8.042 4.747 1.00 0.34 H new ATOM 0 HD12 LEU B 82 -1.690 8.211 2.980 1.00 0.34 H new ATOM 0 HD13 LEU B 82 -3.109 8.526 4.007 1.00 0.34 H new ATOM 0 HD21 LEU B 82 -2.727 6.150 5.909 1.00 0.37 H new ATOM 0 HD22 LEU B 82 -4.264 6.645 5.161 1.00 0.37 H new ATOM 0 HD23 LEU B 82 -3.675 4.978 4.964 1.00 0.37 H new ATOM 2826 N LEU B 83 -5.612 4.065 0.774 1.00 0.23 N ATOM 2827 CA LEU B 83 -6.043 3.737 -0.620 1.00 0.23 C ATOM 2828 C LEU B 83 -7.288 4.549 -0.998 1.00 0.22 C ATOM 2829 O LEU B 83 -8.313 4.468 -0.351 1.00 0.21 O ATOM 2830 CB LEU B 83 -6.361 2.240 -0.680 1.00 0.25 C ATOM 2831 CG LEU B 83 -6.679 1.820 -2.123 1.00 0.48 C ATOM 2832 CD1 LEU B 83 -6.016 0.473 -2.458 1.00 0.46 C ATOM 2833 CD2 LEU B 83 -8.192 1.670 -2.267 1.00 0.98 C ATOM 0 H LEU B 83 -6.322 3.923 1.493 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.248 3.986 -1.323 1.00 0.23 H new ATOM 0 HB2 LEU B 83 -5.514 1.666 -0.305 1.00 0.25 H new ATOM 0 HB3 LEU B 83 -7.209 2.015 -0.033 1.00 0.25 H new ATOM 0 HG LEU B 83 -6.296 2.580 -2.804 1.00 0.48 H new ATOM 0 HD11 LEU B 83 -6.255 0.195 -3.485 1.00 0.46 H new ATOM 0 HD12 LEU B 83 -4.935 0.562 -2.348 1.00 0.46 H new ATOM 0 HD13 LEU B 83 -6.388 -0.294 -1.779 1.00 0.46 H new ATOM 0 HD21 LEU B 83 -8.433 1.372 -3.287 1.00 0.98 H new ATOM 0 HD22 LEU B 83 -8.550 0.910 -1.573 1.00 0.98 H new ATOM 0 HD23 LEU B 83 -8.675 2.621 -2.044 1.00 0.98 H new ATOM 2845 N ARG B 84 -7.189 5.333 -2.044 1.00 0.23 N ATOM 2846 CA ARG B 84 -8.345 6.167 -2.487 1.00 0.24 C ATOM 2847 C ARG B 84 -8.904 5.638 -3.807 1.00 0.30 C ATOM 2848 O ARG B 84 -8.297 5.778 -4.850 1.00 0.71 O ATOM 2849 CB ARG B 84 -7.890 7.609 -2.672 1.00 0.29 C ATOM 2850 CG ARG B 84 -9.054 8.528 -2.308 1.00 0.30 C ATOM 2851 CD ARG B 84 -8.808 9.947 -2.820 1.00 0.34 C ATOM 2852 NE ARG B 84 -9.941 10.818 -2.401 1.00 0.41 N ATOM 2853 CZ ARG B 84 -9.931 12.090 -2.697 1.00 0.50 C ATOM 2854 NH1 ARG B 84 -8.925 12.598 -3.354 1.00 0.55 N ATOM 2855 NH2 ARG B 84 -10.927 12.850 -2.337 1.00 0.60 N ATOM 0 H ARG B 84 -6.348 5.430 -2.613 1.00 0.23 H new ATOM 0 HA ARG B 84 -9.125 6.121 -1.727 1.00 0.24 H new ATOM 0 HB2 ARG B 84 -7.028 7.819 -2.039 1.00 0.29 H new ATOM 0 HB3 ARG B 84 -7.579 7.780 -3.703 1.00 0.29 H new ATOM 0 HG2 ARG B 84 -9.978 8.138 -2.735 1.00 0.30 H new ATOM 0 HG3 ARG B 84 -9.185 8.545 -1.226 1.00 0.30 H new ATOM 0 HD2 ARG B 84 -7.869 10.333 -2.422 1.00 0.34 H new ATOM 0 HD3 ARG B 84 -8.717 9.945 -3.906 1.00 0.34 H new ATOM 0 HE ARG B 84 -10.725 10.421 -1.883 1.00 0.41 H new ATOM 0 HH11 ARG B 84 -8.147 12.002 -3.636 1.00 0.55 H new ATOM 0 HH12 ARG B 84 -8.917 13.591 -3.586 1.00 0.55 H new ATOM 0 HH21 ARG B 84 -11.714 12.451 -1.824 1.00 0.60 H new ATOM 0 HH22 ARG B 84 -10.920 13.844 -2.568 1.00 0.60 H new ATOM 2869 N LEU B 85 -10.050 5.014 -3.761 1.00 0.31 N ATOM 2870 CA LEU B 85 -10.659 4.447 -4.999 1.00 0.28 C ATOM 2871 C LEU B 85 -11.812 5.329 -5.485 1.00 0.27 C ATOM 2872 O LEU B 85 -12.454 6.004 -4.711 1.00 0.29 O ATOM 2873 CB LEU B 85 -11.188 3.057 -4.668 1.00 0.29 C ATOM 2874 CG LEU B 85 -11.321 2.204 -5.932 1.00 0.56 C ATOM 2875 CD1 LEU B 85 -9.953 1.673 -6.383 1.00 1.44 C ATOM 2876 CD2 LEU B 85 -12.237 1.027 -5.609 1.00 0.93 C ATOM 0 H LEU B 85 -10.595 4.871 -2.911 1.00 0.31 H new ATOM 0 HA LEU B 85 -9.910 4.399 -5.789 1.00 0.28 H new ATOM 0 HB2 LEU B 85 -10.516 2.567 -3.963 1.00 0.29 H new ATOM 0 HB3 LEU B 85 -12.158 3.141 -4.178 1.00 0.29 H new ATOM 0 HG LEU B 85 -11.731 2.812 -6.739 1.00 0.56 H new ATOM 0 HD11 LEU B 85 -10.075 1.070 -7.283 1.00 1.44 H new ATOM 0 HD12 LEU B 85 -9.289 2.511 -6.595 1.00 1.44 H new ATOM 0 HD13 LEU B 85 -9.522 1.060 -5.592 1.00 1.44 H new ATOM 0 HD21 LEU B 85 -12.350 0.401 -6.494 1.00 0.93 H new ATOM 0 HD22 LEU B 85 -11.802 0.439 -4.801 1.00 0.93 H new ATOM 0 HD23 LEU B 85 -13.214 1.400 -5.301 1.00 0.93 H new ATOM 2888 N LYS B 86 -12.058 5.325 -6.769 1.00 0.31 N ATOM 2889 CA LYS B 86 -13.154 6.158 -7.352 1.00 0.33 C ATOM 2890 C LYS B 86 -14.083 5.276 -8.195 1.00 0.30 C ATOM 2891 O LYS B 86 -13.692 4.232 -8.661 1.00 0.34 O ATOM 2892 CB LYS B 86 -12.508 7.212 -8.246 1.00 0.39 C ATOM 2893 CG LYS B 86 -13.561 8.125 -8.876 1.00 0.41 C ATOM 2894 CD LYS B 86 -13.749 7.769 -10.354 1.00 0.41 C ATOM 2895 CE LYS B 86 -14.601 8.850 -11.027 1.00 0.51 C ATOM 2896 NZ LYS B 86 -15.466 9.513 -10.008 1.00 1.31 N ATOM 0 H LYS B 86 -11.538 4.771 -7.450 1.00 0.31 H new ATOM 0 HA LYS B 86 -13.739 6.627 -6.560 1.00 0.33 H new ATOM 0 HB2 LYS B 86 -11.808 7.809 -7.661 1.00 0.39 H new ATOM 0 HB3 LYS B 86 -11.931 6.723 -9.031 1.00 0.39 H new ATOM 0 HG2 LYS B 86 -14.508 8.022 -8.346 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -13.254 9.167 -8.781 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -12.780 7.692 -10.848 1.00 0.41 H new ATOM 0 HD3 LYS B 86 -14.233 6.797 -10.448 1.00 0.41 H new ATOM 0 HE2 LYS B 86 -13.958 9.587 -11.508 1.00 0.51 H new ATOM 0 HE3 LYS B 86 -15.218 8.407 -11.809 1.00 0.51 H new ATOM 0 HZ1 LYS B 86 -16.203 10.069 -10.487 1.00 1.31 H new ATOM 0 HZ2 LYS B 86 -15.913 8.790 -9.409 1.00 1.31 H new ATOM 0 HZ3 LYS B 86 -14.886 10.143 -9.417 1.00 1.31 H new ATOM 2910 N ARG B 87 -15.307 5.697 -8.403 1.00 0.28 N ATOM 2911 CA ARG B 87 -16.252 4.882 -9.241 1.00 0.27 C ATOM 2912 C ARG B 87 -16.518 5.589 -10.566 1.00 0.28 C ATOM 2913 O ARG B 87 -16.648 6.795 -10.624 1.00 0.32 O ATOM 2914 CB ARG B 87 -17.589 4.695 -8.526 1.00 0.29 C ATOM 2915 CG ARG B 87 -17.385 3.910 -7.226 1.00 0.61 C ATOM 2916 CD ARG B 87 -17.075 2.436 -7.535 1.00 0.42 C ATOM 2917 NE ARG B 87 -17.383 1.612 -6.331 1.00 0.48 N ATOM 2918 CZ ARG B 87 -17.700 0.351 -6.454 1.00 0.81 C ATOM 2919 NH1 ARG B 87 -17.740 -0.206 -7.634 1.00 1.64 N ATOM 2920 NH2 ARG B 87 -17.976 -0.355 -5.393 1.00 0.87 N ATOM 0 H ARG B 87 -15.694 6.565 -8.032 1.00 0.28 H new ATOM 0 HA ARG B 87 -15.789 3.910 -9.413 1.00 0.27 H new ATOM 0 HB2 ARG B 87 -18.033 5.666 -8.308 1.00 0.29 H new ATOM 0 HB3 ARG B 87 -18.286 4.165 -9.175 1.00 0.29 H new ATOM 0 HG2 ARG B 87 -16.568 4.348 -6.653 1.00 0.61 H new ATOM 0 HG3 ARG B 87 -18.280 3.978 -6.608 1.00 0.61 H new ATOM 0 HD2 ARG B 87 -17.667 2.097 -8.385 1.00 0.42 H new ATOM 0 HD3 ARG B 87 -16.027 2.322 -7.811 1.00 0.42 H new ATOM 0 HE ARG B 87 -17.346 2.036 -5.404 1.00 0.48 H new ATOM 0 HH11 ARG B 87 -17.523 0.344 -8.465 1.00 1.64 H new ATOM 0 HH12 ARG B 87 -17.988 -1.191 -7.725 1.00 1.64 H new ATOM 0 HH21 ARG B 87 -17.944 0.078 -4.470 1.00 0.87 H new ATOM 0 HH22 ARG B 87 -18.224 -1.340 -5.486 1.00 0.87 H new ATOM 2934 N VAL B 88 -16.618 4.830 -11.625 1.00 0.28 N ATOM 2935 CA VAL B 88 -16.898 5.423 -12.966 1.00 0.32 C ATOM 2936 C VAL B 88 -18.178 4.803 -13.524 1.00 0.34 C ATOM 2937 O VAL B 88 -18.718 5.251 -14.516 1.00 0.39 O ATOM 2938 CB VAL B 88 -15.731 5.135 -13.914 1.00 0.34 C ATOM 2939 CG1 VAL B 88 -16.178 5.341 -15.362 1.00 0.49 C ATOM 2940 CG2 VAL B 88 -14.574 6.086 -13.603 1.00 0.68 C ATOM 0 H VAL B 88 -16.517 3.815 -11.618 1.00 0.28 H new ATOM 0 HA VAL B 88 -17.020 6.502 -12.872 1.00 0.32 H new ATOM 0 HB VAL B 88 -15.405 4.104 -13.778 1.00 0.34 H new ATOM 0 HG11 VAL B 88 -15.344 5.135 -16.033 1.00 0.49 H new ATOM 0 HG12 VAL B 88 -17.002 4.664 -15.588 1.00 0.49 H new ATOM 0 HG13 VAL B 88 -16.507 6.371 -15.498 1.00 0.49 H new ATOM 0 HG21 VAL B 88 -13.743 5.881 -14.278 1.00 0.68 H new ATOM 0 HG22 VAL B 88 -14.904 7.116 -13.736 1.00 0.68 H new ATOM 0 HG23 VAL B 88 -14.249 5.939 -12.573 1.00 0.68 H new ATOM 2950 N TYR B 89 -18.674 3.777 -12.890 1.00 0.33 N ATOM 2951 CA TYR B 89 -19.922 3.137 -13.381 1.00 0.39 C ATOM 2952 C TYR B 89 -20.447 2.163 -12.325 1.00 0.50 C ATOM 2953 O TYR B 89 -19.878 2.124 -11.247 1.00 1.12 O ATOM 2954 CB TYR B 89 -19.634 2.379 -14.678 1.00 0.41 C ATOM 2955 CG TYR B 89 -20.491 2.937 -15.790 1.00 0.54 C ATOM 2956 CD1 TYR B 89 -21.878 2.745 -15.767 1.00 1.13 C ATOM 2957 CD2 TYR B 89 -19.900 3.647 -16.844 1.00 1.47 C ATOM 2958 CE1 TYR B 89 -22.674 3.262 -16.796 1.00 1.27 C ATOM 2959 CE2 TYR B 89 -20.697 4.165 -17.873 1.00 1.77 C ATOM 2960 CZ TYR B 89 -22.083 3.972 -17.849 1.00 1.26 C ATOM 2961 OH TYR B 89 -22.868 4.482 -18.863 1.00 1.66 O ATOM 2962 OXT TYR B 89 -21.411 1.471 -12.612 1.00 1.01 O ATOM 0 H TYR B 89 -18.268 3.356 -12.054 1.00 0.33 H new ATOM 0 HA TYR B 89 -20.672 3.905 -13.570 1.00 0.39 H new ATOM 0 HB2 TYR B 89 -18.579 2.469 -14.938 1.00 0.41 H new ATOM 0 HB3 TYR B 89 -19.840 1.317 -14.544 1.00 0.41 H new ATOM 0 HD1 TYR B 89 -22.334 2.198 -14.955 1.00 1.13 H new ATOM 0 HD2 TYR B 89 -18.830 3.795 -16.863 1.00 1.47 H new ATOM 0 HE1 TYR B 89 -23.744 3.113 -16.778 1.00 1.27 H new ATOM 0 HE2 TYR B 89 -20.242 4.713 -18.685 1.00 1.77 H new ATOM 0 HH TYR B 89 -22.301 4.948 -19.513 1.00 1.66 H new