USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1031 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 52 SER OG : rot 21:sc= 0.024 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 147:sc= 0.0759 (180deg=-1.08) USER MOD Set 2.1: A 45 SER OG : rot 53:sc= 0.732 USER MOD Set 2.2: B 44 MET CE :methyl -164:sc= -0.185 (180deg=-0.381) USER MOD Set 3.1: A 22 CYS SG : rot -85:sc= -0.277 USER MOD Set 3.2: A 44 CYS SG : rot 164:sc= 1.27 USER MOD Set 4.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 15 TYR OH : rot 40:sc= 1.28 USER MOD Set 5.2: A 49 LYS NZ :NH3+ -148:sc= 0.957 (180deg=-0.127) USER MOD Set 6.1: A 12 MET CE :methyl -166:sc= -3.74 (180deg=-4.29!) USER MOD Set 6.2: A 20 GLN : amide:sc= -0.799 K(o=-4.5,f=-5.1) USER MOD Set 7.1: A 2 LYS NZ :NH3+ -150:sc= 2.56 (180deg=0.48) USER MOD Set 7.2: B 52 GLN : amide:sc= 0.642 K(o=3.2,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -141:sc= 0.229 (180deg=-0.23) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= -1.03 (180deg=-3.36!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 170:sc= -0.0111 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.0035) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc=-0.00265 (180deg=-0.0969) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.204 (180deg=-0.539) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0.59 (180deg=0.242) USER MOD Single : A 30 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4!) USER MOD Single : A 34 SER OG : rot -172:sc= 1.04 USER MOD Single : A 36 ASN : amide:sc= -1.97! X(o=-2!,f=-1.5) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= 1.28 (180deg=0.763) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -76:sc= 0.658 USER MOD Single : A 51 MET CE :methyl -112:sc= -1.18 (180deg=-4.03!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 141:sc= -0.679 (180deg=-1.97) USER MOD Single : A 64 LYS NZ :NH3+ 126:sc= 0.0329 (180deg=-0.14) USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= -0.0133 (180deg=-0.147) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -173:sc= -0.225 (180deg=-0.325) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 30:sc= -0.845 USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= 1.2 (180deg=1.1) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.8) USER MOD Single : B 18 THR OG1 : rot 180:sc= -0.8 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ -161:sc= 0.928 (180deg=0.694) USER MOD Single : B 29 ASN : amide:sc= -0.0555 K(o=-0.055,f=-8!) USER MOD Single : B 30 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.012) USER MOD Single : B 33 SER OG : rot -18:sc= 0.7 USER MOD Single : B 37 SER OG : rot -49:sc= 0.312 USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 46 SER OG : rot -38:sc= 1.12 USER MOD Single : B 55 THR OG1 : rot 180:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.945 9.994 -7.264 1.00 0.00 N ATOM 2 CA GLY A 1 1.243 11.296 -7.908 1.00 0.00 C ATOM 3 C GLY A 1 2.324 12.062 -7.172 1.00 0.00 C ATOM 4 O GLY A 1 2.030 12.924 -6.340 1.00 0.00 O ATOM 0 H1 GLY A 1 0.201 9.504 -7.800 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.804 9.409 -7.251 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.621 10.155 -6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.557 11.127 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.335 11.898 -7.946 1.00 0.00 H new ATOM 10 N LYS A 2 3.577 11.751 -7.471 1.00 0.00 N ATOM 11 CA LYS A 2 4.708 12.399 -6.823 1.00 0.00 C ATOM 12 C LYS A 2 5.604 13.062 -7.867 1.00 0.00 C ATOM 13 O LYS A 2 6.264 12.378 -8.652 1.00 0.00 O ATOM 14 CB LYS A 2 5.505 11.374 -6.011 1.00 0.00 C ATOM 15 CG LYS A 2 4.655 10.607 -5.011 1.00 0.00 C ATOM 16 CD LYS A 2 5.412 9.436 -4.405 1.00 0.00 C ATOM 17 CE LYS A 2 4.483 8.520 -3.622 1.00 0.00 C ATOM 18 NZ LYS A 2 5.172 7.287 -3.149 1.00 0.00 N1+ ATOM 0 H LYS A 2 3.837 11.049 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 2 4.335 13.168 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.977 10.667 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.306 11.886 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.332 11.280 -4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.755 10.241 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.902 8.869 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.197 9.809 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.081 9.060 -2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.636 8.242 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.487 6.507 -3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.930 7.035 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.581 7.457 -2.208 1.00 0.00 H new ATOM 32 N GLY A 3 5.602 14.391 -7.882 1.00 0.00 N ATOM 33 CA GLY A 3 6.396 15.133 -8.848 1.00 0.00 C ATOM 34 C GLY A 3 7.883 14.887 -8.701 1.00 0.00 C ATOM 35 O GLY A 3 8.529 14.373 -9.617 1.00 0.00 O ATOM 0 H GLY A 3 5.062 14.971 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.085 14.857 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.196 16.198 -8.734 1.00 0.00 H new ATOM 39 N ASP A 4 8.427 15.250 -7.548 1.00 0.00 N ATOM 40 CA ASP A 4 9.848 15.066 -7.278 1.00 0.00 C ATOM 41 C ASP A 4 10.129 13.611 -6.923 1.00 0.00 C ATOM 42 O ASP A 4 9.657 13.111 -5.901 1.00 0.00 O ATOM 43 CB ASP A 4 10.307 15.974 -6.135 1.00 0.00 C ATOM 44 CG ASP A 4 9.966 17.429 -6.376 1.00 0.00 C ATOM 45 OD1 ASP A 4 10.670 18.090 -7.160 1.00 0.00 O1- ATOM 46 OD2 ASP A 4 8.975 17.914 -5.790 1.00 0.00 O ATOM 0 H ASP A 4 7.905 15.675 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 4 10.403 15.332 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.843 15.645 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.385 15.874 -6.006 1.00 0.00 H new ATOM 51 N PRO A 5 10.914 12.915 -7.756 1.00 0.00 N ATOM 52 CA PRO A 5 11.177 11.488 -7.582 1.00 0.00 C ATOM 53 C PRO A 5 12.293 11.202 -6.582 1.00 0.00 C ATOM 54 O PRO A 5 12.798 10.083 -6.511 1.00 0.00 O ATOM 55 CB PRO A 5 11.590 11.054 -8.986 1.00 0.00 C ATOM 56 CG PRO A 5 12.261 12.254 -9.566 1.00 0.00 C ATOM 57 CD PRO A 5 11.604 13.460 -8.942 1.00 0.00 C ATOM 0 HA PRO A 5 10.314 10.958 -7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.265 10.198 -8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.726 10.757 -9.580 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.330 12.241 -9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.153 12.272 -10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.338 14.216 -8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.903 13.934 -9.629 1.00 0.00 H new ATOM 65 N LYS A 6 12.665 12.208 -5.804 1.00 0.00 N ATOM 66 CA LYS A 6 13.740 12.060 -4.827 1.00 0.00 C ATOM 67 C LYS A 6 13.225 12.325 -3.422 1.00 0.00 C ATOM 68 O LYS A 6 13.991 12.628 -2.506 1.00 0.00 O ATOM 69 CB LYS A 6 14.897 13.006 -5.149 1.00 0.00 C ATOM 70 CG LYS A 6 15.429 12.847 -6.564 1.00 0.00 C ATOM 71 CD LYS A 6 16.625 13.749 -6.824 1.00 0.00 C ATOM 72 CE LYS A 6 17.175 13.549 -8.228 1.00 0.00 C ATOM 73 NZ LYS A 6 17.689 12.168 -8.435 1.00 0.00 N1+ ATOM 0 H LYS A 6 12.241 13.135 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 6 14.105 11.034 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.566 14.035 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.708 12.831 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.715 11.808 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.638 13.078 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.333 14.791 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.406 13.541 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.392 13.757 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.977 14.265 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.558 12.203 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.898 11.733 -7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.972 11.601 -8.931 1.00 0.00 H new ATOM 87 N LYS A 7 11.923 12.197 -3.260 1.00 0.00 N ATOM 88 CA LYS A 7 11.292 12.400 -1.965 1.00 0.00 C ATOM 89 C LYS A 7 11.194 11.071 -1.213 1.00 0.00 C ATOM 90 O LYS A 7 11.441 10.015 -1.798 1.00 0.00 O ATOM 91 CB LYS A 7 9.911 13.041 -2.139 1.00 0.00 C ATOM 92 CG LYS A 7 9.973 14.476 -2.636 1.00 0.00 C ATOM 93 CD LYS A 7 8.622 15.162 -2.534 1.00 0.00 C ATOM 94 CE LYS A 7 8.742 16.651 -2.821 1.00 0.00 C ATOM 95 NZ LYS A 7 7.482 17.388 -2.539 1.00 0.00 N1+ ATOM 0 H LYS A 7 11.277 11.952 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 7 11.905 13.080 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.327 12.445 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.384 13.017 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.709 15.032 -2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.311 14.488 -3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.926 14.707 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.209 15.013 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.547 17.070 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.018 16.795 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.616 18.398 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.717 17.008 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.230 17.275 -1.536 1.00 0.00 H new ATOM 109 N PRO A 8 10.865 11.109 0.098 1.00 0.00 N ATOM 110 CA PRO A 8 10.748 9.903 0.931 1.00 0.00 C ATOM 111 C PRO A 8 9.786 8.857 0.355 1.00 0.00 C ATOM 112 O PRO A 8 9.089 9.102 -0.633 1.00 0.00 O ATOM 113 CB PRO A 8 10.227 10.440 2.266 1.00 0.00 C ATOM 114 CG PRO A 8 10.678 11.858 2.299 1.00 0.00 C ATOM 115 CD PRO A 8 10.604 12.334 0.880 1.00 0.00 C ATOM 0 HA PRO A 8 11.701 9.379 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.141 10.367 2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.631 9.875 3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.040 12.458 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.693 11.938 2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.627 12.759 0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.345 13.107 0.676 1.00 0.00 H new ATOM 123 N ARG A 9 9.735 7.701 1.005 1.00 0.00 N ATOM 124 CA ARG A 9 9.044 6.542 0.458 1.00 0.00 C ATOM 125 C ARG A 9 7.534 6.760 0.417 1.00 0.00 C ATOM 126 O ARG A 9 6.887 6.509 -0.604 1.00 0.00 O ATOM 127 CB ARG A 9 9.402 5.299 1.275 1.00 0.00 C ATOM 128 CG ARG A 9 9.115 3.990 0.561 1.00 0.00 C ATOM 129 CD ARG A 9 9.719 2.813 1.302 1.00 0.00 C ATOM 130 NE ARG A 9 11.179 2.802 1.258 1.00 0.00 N ATOM 131 CZ ARG A 9 11.931 2.009 2.018 1.00 0.00 C ATOM 132 NH1 ARG A 9 11.363 1.239 2.942 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 13.249 1.996 1.875 1.00 0.00 N ATOM 0 H ARG A 9 10.166 7.542 1.916 1.00 0.00 H new ATOM 0 HA ARG A 9 9.371 6.395 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.461 5.337 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.846 5.320 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.038 3.851 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.517 4.030 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.392 2.838 2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.341 1.886 0.871 1.00 0.00 H new ATOM 0 HE ARG A 9 11.647 3.436 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.351 1.256 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.939 0.631 3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.692 2.596 1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.820 1.386 2.461 1.00 0.00 H new ATOM 147 N GLY A 10 6.978 7.229 1.520 1.00 0.00 N ATOM 148 CA GLY A 10 5.565 7.549 1.547 1.00 0.00 C ATOM 149 C GLY A 10 4.974 7.545 2.944 1.00 0.00 C ATOM 150 O GLY A 10 5.548 6.979 3.869 1.00 0.00 O ATOM 0 H GLY A 10 7.475 7.394 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.414 8.531 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.025 6.831 0.930 1.00 0.00 H new ATOM 154 N LYS A 11 3.807 8.166 3.071 1.00 0.00 N ATOM 155 CA LYS A 11 3.095 8.284 4.345 1.00 0.00 C ATOM 156 C LYS A 11 2.045 7.183 4.479 1.00 0.00 C ATOM 157 O LYS A 11 1.048 7.345 5.187 1.00 0.00 O ATOM 158 CB LYS A 11 2.417 9.653 4.433 1.00 0.00 C ATOM 159 CG LYS A 11 3.389 10.820 4.526 1.00 0.00 C ATOM 160 CD LYS A 11 2.703 12.172 4.329 1.00 0.00 C ATOM 161 CE LYS A 11 1.667 12.483 5.405 1.00 0.00 C ATOM 162 NZ LYS A 11 0.396 11.730 5.213 1.00 0.00 N1+ ATOM 0 H LYS A 11 3.322 8.606 2.289 1.00 0.00 H new ATOM 0 HA LYS A 11 3.816 8.180 5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.783 9.790 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.763 9.668 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.879 10.804 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.169 10.699 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.458 12.958 4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.219 12.188 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.082 12.243 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.455 13.552 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.410 12.382 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.391 11.292 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.318 10.989 5.939 1.00 0.00 H new ATOM 176 N MET A 12 2.271 6.081 3.775 1.00 0.00 N ATOM 177 CA MET A 12 1.302 4.985 3.685 1.00 0.00 C ATOM 178 C MET A 12 0.887 4.466 5.061 1.00 0.00 C ATOM 179 O MET A 12 1.613 4.613 6.043 1.00 0.00 O ATOM 180 CB MET A 12 1.878 3.825 2.877 1.00 0.00 C ATOM 181 CG MET A 12 2.487 4.232 1.549 1.00 0.00 C ATOM 182 SD MET A 12 3.021 2.809 0.583 1.00 0.00 S ATOM 183 CE MET A 12 3.833 1.831 1.845 1.00 0.00 C ATOM 0 H MET A 12 3.129 5.917 3.249 1.00 0.00 H new ATOM 0 HA MET A 12 0.420 5.389 3.188 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.640 3.324 3.475 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.087 3.097 2.693 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.757 4.805 0.977 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.339 4.889 1.727 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.428 1.049 1.373 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.484 2.472 2.440 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.083 1.376 2.492 1.00 0.00 H new ATOM 193 N SER A 13 -0.282 3.844 5.118 1.00 0.00 N ATOM 194 CA SER A 13 -0.801 3.303 6.360 1.00 0.00 C ATOM 195 C SER A 13 -0.212 1.924 6.655 1.00 0.00 C ATOM 196 O SER A 13 0.599 1.404 5.879 1.00 0.00 O ATOM 197 CB SER A 13 -2.324 3.236 6.289 1.00 0.00 C ATOM 198 OG SER A 13 -2.861 4.507 5.971 1.00 0.00 O ATOM 0 H SER A 13 -0.890 3.702 4.311 1.00 0.00 H new ATOM 0 HA SER A 13 -0.508 3.963 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.627 2.508 5.537 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.724 2.894 7.244 1.00 0.00 H new ATOM 0 HG SER A 13 -3.838 4.448 5.927 1.00 0.00 H new ATOM 204 N SER A 14 -0.643 1.338 7.767 1.00 0.00 N ATOM 205 CA SER A 14 -0.091 0.085 8.268 1.00 0.00 C ATOM 206 C SER A 14 -0.170 -1.037 7.232 1.00 0.00 C ATOM 207 O SER A 14 0.790 -1.785 7.048 1.00 0.00 O ATOM 208 CB SER A 14 -0.847 -0.321 9.530 1.00 0.00 C ATOM 209 OG SER A 14 -1.015 0.793 10.393 1.00 0.00 O ATOM 0 H SER A 14 -1.388 1.721 8.349 1.00 0.00 H new ATOM 0 HA SER A 14 0.964 0.245 8.489 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.821 -0.729 9.261 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.303 -1.110 10.048 1.00 0.00 H new ATOM 0 HG SER A 14 -1.635 0.557 11.114 1.00 0.00 H new ATOM 215 N TYR A 15 -1.312 -1.140 6.556 1.00 0.00 N ATOM 216 CA TYR A 15 -1.543 -2.198 5.576 1.00 0.00 C ATOM 217 C TYR A 15 -0.451 -2.199 4.506 1.00 0.00 C ATOM 218 O TYR A 15 0.068 -3.250 4.134 1.00 0.00 O ATOM 219 CB TYR A 15 -2.912 -2.005 4.914 1.00 0.00 C ATOM 220 CG TYR A 15 -3.597 -3.294 4.500 1.00 0.00 C ATOM 221 CD1 TYR A 15 -2.877 -4.375 4.007 1.00 0.00 C ATOM 222 CD2 TYR A 15 -4.977 -3.423 4.601 1.00 0.00 C ATOM 223 CE1 TYR A 15 -3.509 -5.546 3.631 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.615 -4.590 4.227 1.00 0.00 C ATOM 225 CZ TYR A 15 -4.878 -5.647 3.744 1.00 0.00 C ATOM 226 OH TYR A 15 -5.516 -6.814 3.380 1.00 0.00 O ATOM 0 H TYR A 15 -2.097 -0.499 6.671 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.520 -3.156 6.095 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.563 -1.468 5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.790 -1.374 4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.804 -4.299 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.561 -2.597 4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.933 -6.376 3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.688 -4.672 4.313 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.986 -7.583 3.677 1.00 0.00 H new ATOM 236 N ALA A 16 -0.091 -1.017 4.026 1.00 0.00 N ATOM 237 CA ALA A 16 0.896 -0.909 2.964 1.00 0.00 C ATOM 238 C ALA A 16 2.308 -1.104 3.497 1.00 0.00 C ATOM 239 O ALA A 16 3.151 -1.696 2.828 1.00 0.00 O ATOM 240 CB ALA A 16 0.770 0.422 2.241 1.00 0.00 C ATOM 0 H ALA A 16 -0.465 -0.126 4.353 1.00 0.00 H new ATOM 0 HA ALA A 16 0.699 -1.706 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.519 0.479 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.225 0.506 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.926 1.236 2.948 1.00 0.00 H new ATOM 246 N PHE A 17 2.558 -0.613 4.704 1.00 0.00 N ATOM 247 CA PHE A 17 3.860 -0.775 5.339 1.00 0.00 C ATOM 248 C PHE A 17 4.154 -2.247 5.588 1.00 0.00 C ATOM 249 O PHE A 17 5.293 -2.695 5.455 1.00 0.00 O ATOM 250 CB PHE A 17 3.917 0.007 6.648 1.00 0.00 C ATOM 251 CG PHE A 17 4.807 1.209 6.578 1.00 0.00 C ATOM 252 CD1 PHE A 17 4.344 2.405 6.057 1.00 0.00 C ATOM 253 CD2 PHE A 17 6.112 1.136 7.029 1.00 0.00 C ATOM 254 CE1 PHE A 17 5.170 3.510 5.989 1.00 0.00 C ATOM 255 CE2 PHE A 17 6.944 2.234 6.964 1.00 0.00 C ATOM 256 CZ PHE A 17 6.472 3.423 6.444 1.00 0.00 C ATOM 0 H PHE A 17 1.877 -0.099 5.263 1.00 0.00 H new ATOM 0 HA PHE A 17 4.621 -0.380 4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.910 0.324 6.919 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.268 -0.652 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.327 2.475 5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.484 0.208 7.437 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.799 4.439 5.582 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.962 2.164 7.319 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.121 4.285 6.393 1.00 0.00 H new ATOM 266 N PHE A 18 3.113 -2.991 5.936 1.00 0.00 N ATOM 267 CA PHE A 18 3.210 -4.433 6.109 1.00 0.00 C ATOM 268 C PHE A 18 3.756 -5.096 4.848 1.00 0.00 C ATOM 269 O PHE A 18 4.742 -5.833 4.898 1.00 0.00 O ATOM 270 CB PHE A 18 1.830 -5.001 6.451 1.00 0.00 C ATOM 271 CG PHE A 18 1.728 -6.493 6.317 1.00 0.00 C ATOM 272 CD1 PHE A 18 2.369 -7.332 7.212 1.00 0.00 C ATOM 273 CD2 PHE A 18 0.986 -7.052 5.290 1.00 0.00 C ATOM 274 CE1 PHE A 18 2.271 -8.703 7.085 1.00 0.00 C ATOM 275 CE2 PHE A 18 0.884 -8.420 5.158 1.00 0.00 C ATOM 276 CZ PHE A 18 1.528 -9.247 6.056 1.00 0.00 C ATOM 0 H PHE A 18 2.181 -2.613 6.106 1.00 0.00 H new ATOM 0 HA PHE A 18 3.900 -4.642 6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.578 -4.721 7.474 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.088 -4.538 5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.951 -6.910 8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.481 -6.409 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.774 -9.349 7.789 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.301 -8.844 4.354 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.451 -10.319 5.954 1.00 0.00 H new ATOM 286 N VAL A 19 3.118 -4.818 3.721 1.00 0.00 N ATOM 287 CA VAL A 19 3.512 -5.413 2.451 1.00 0.00 C ATOM 288 C VAL A 19 4.867 -4.871 2.021 1.00 0.00 C ATOM 289 O VAL A 19 5.664 -5.573 1.406 1.00 0.00 O ATOM 290 CB VAL A 19 2.468 -5.125 1.350 1.00 0.00 C ATOM 291 CG1 VAL A 19 2.663 -6.023 0.138 1.00 0.00 C ATOM 292 CG2 VAL A 19 1.067 -5.277 1.895 1.00 0.00 C ATOM 0 H VAL A 19 2.323 -4.182 3.659 1.00 0.00 H new ATOM 0 HA VAL A 19 3.575 -6.492 2.591 1.00 0.00 H new ATOM 0 HB VAL A 19 2.612 -4.095 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.909 -5.789 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.656 -5.859 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.564 -7.066 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.345 -5.070 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.926 -6.295 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.918 -4.575 2.716 1.00 0.00 H new ATOM 302 N GLN A 20 5.124 -3.621 2.375 1.00 0.00 N ATOM 303 CA GLN A 20 6.371 -2.959 2.031 1.00 0.00 C ATOM 304 C GLN A 20 7.561 -3.629 2.708 1.00 0.00 C ATOM 305 O GLN A 20 8.503 -4.056 2.036 1.00 0.00 O ATOM 306 CB GLN A 20 6.314 -1.491 2.444 1.00 0.00 C ATOM 307 CG GLN A 20 7.529 -0.694 2.010 1.00 0.00 C ATOM 308 CD GLN A 20 7.575 0.675 2.648 1.00 0.00 C ATOM 309 OE1 GLN A 20 8.176 0.862 3.701 1.00 0.00 O ATOM 310 NE2 GLN A 20 6.936 1.646 2.016 1.00 0.00 N ATOM 0 H GLN A 20 4.476 -3.040 2.907 1.00 0.00 H new ATOM 0 HA GLN A 20 6.501 -3.035 0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.420 -1.036 2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.217 -1.430 3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.433 -1.244 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.522 -0.587 0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.448 1.451 1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.932 2.590 2.403 1.00 0.00 H new ATOM 319 N THR A 21 7.509 -3.728 4.032 1.00 0.00 N ATOM 320 CA THR A 21 8.641 -4.224 4.800 1.00 0.00 C ATOM 321 C THR A 21 8.988 -5.666 4.429 1.00 0.00 C ATOM 322 O THR A 21 10.161 -6.022 4.364 1.00 0.00 O ATOM 323 CB THR A 21 8.405 -4.110 6.326 1.00 0.00 C ATOM 324 OG1 THR A 21 9.581 -4.522 7.040 1.00 0.00 O ATOM 325 CG2 THR A 21 7.221 -4.955 6.773 1.00 0.00 C ATOM 0 H THR A 21 6.697 -3.472 4.593 1.00 0.00 H new ATOM 0 HA THR A 21 9.487 -3.588 4.541 1.00 0.00 H new ATOM 0 HB THR A 21 8.185 -3.066 6.548 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.422 -4.445 8.004 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.085 -4.850 7.849 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.320 -4.620 6.259 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.409 -6.001 6.531 1.00 0.00 H new ATOM 333 N CYS A 22 7.979 -6.490 4.156 1.00 0.00 N ATOM 334 CA CYS A 22 8.228 -7.883 3.803 1.00 0.00 C ATOM 335 C CYS A 22 8.683 -8.001 2.350 1.00 0.00 C ATOM 336 O CYS A 22 9.567 -8.801 2.033 1.00 0.00 O ATOM 337 CB CYS A 22 6.994 -8.753 4.067 1.00 0.00 C ATOM 338 SG CYS A 22 5.467 -8.146 3.321 1.00 0.00 S ATOM 0 H CYS A 22 6.995 -6.221 4.172 1.00 0.00 H new ATOM 0 HA CYS A 22 9.032 -8.251 4.440 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.189 -9.759 3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.848 -8.835 5.144 1.00 0.00 H new ATOM 0 HG CYS A 22 4.910 -7.281 4.115 1.00 0.00 H new ATOM 344 N ARG A 23 8.100 -7.186 1.472 1.00 0.00 N ATOM 345 CA ARG A 23 8.506 -7.147 0.072 1.00 0.00 C ATOM 346 C ARG A 23 9.964 -6.725 -0.045 1.00 0.00 C ATOM 347 O ARG A 23 10.745 -7.335 -0.778 1.00 0.00 O ATOM 348 CB ARG A 23 7.596 -6.195 -0.725 1.00 0.00 C ATOM 349 CG ARG A 23 8.081 -5.882 -2.133 1.00 0.00 C ATOM 350 CD ARG A 23 8.862 -4.575 -2.174 1.00 0.00 C ATOM 351 NE ARG A 23 9.570 -4.394 -3.440 1.00 0.00 N ATOM 352 CZ ARG A 23 10.808 -3.896 -3.540 1.00 0.00 C ATOM 353 NH1 ARG A 23 11.459 -3.503 -2.450 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 11.384 -3.777 -4.728 1.00 0.00 N ATOM 0 H ARG A 23 7.344 -6.544 1.708 1.00 0.00 H new ATOM 0 HA ARG A 23 8.405 -8.147 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.600 -6.634 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.498 -5.260 -0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.711 -6.696 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.227 -5.819 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.178 -3.740 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.579 -4.556 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 23 9.091 -4.664 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.015 -3.581 -1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.403 -3.124 -2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.883 -4.065 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.328 -3.397 -4.801 1.00 0.00 H new ATOM 368 N GLU A 24 10.328 -5.687 0.691 1.00 0.00 N ATOM 369 CA GLU A 24 11.685 -5.181 0.669 1.00 0.00 C ATOM 370 C GLU A 24 12.625 -6.108 1.438 1.00 0.00 C ATOM 371 O GLU A 24 13.812 -6.195 1.133 1.00 0.00 O ATOM 372 CB GLU A 24 11.736 -3.771 1.251 1.00 0.00 C ATOM 373 CG GLU A 24 13.147 -3.213 1.319 1.00 0.00 C ATOM 374 CD GLU A 24 13.273 -2.028 2.244 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.847 -0.928 1.861 1.00 0.00 O ATOM 376 OE2 GLU A 24 13.825 -2.192 3.349 1.00 0.00 O1- ATOM 0 H GLU A 24 9.698 -5.179 1.312 1.00 0.00 H new ATOM 0 HA GLU A 24 12.017 -5.144 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.118 -3.110 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.305 -3.780 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.826 -3.999 1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.464 -2.920 0.318 1.00 0.00 H new ATOM 383 N GLU A 25 12.096 -6.801 2.438 1.00 0.00 N ATOM 384 CA GLU A 25 12.896 -7.737 3.218 1.00 0.00 C ATOM 385 C GLU A 25 13.440 -8.835 2.314 1.00 0.00 C ATOM 386 O GLU A 25 14.612 -9.209 2.393 1.00 0.00 O ATOM 387 CB GLU A 25 12.063 -8.348 4.348 1.00 0.00 C ATOM 388 CG GLU A 25 12.895 -8.983 5.441 1.00 0.00 C ATOM 389 CD GLU A 25 13.895 -8.015 6.037 1.00 0.00 C ATOM 390 OE1 GLU A 25 15.012 -7.910 5.496 1.00 0.00 O1- ATOM 391 OE2 GLU A 25 13.566 -7.348 7.041 1.00 0.00 O ATOM 0 H GLU A 25 11.120 -6.733 2.728 1.00 0.00 H new ATOM 0 HA GLU A 25 13.731 -7.195 3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.435 -7.572 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.394 -9.100 3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.237 -9.352 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.424 -9.846 5.037 1.00 0.00 H new ATOM 398 N HIS A 26 12.585 -9.318 1.426 1.00 0.00 N ATOM 399 CA HIS A 26 12.962 -10.356 0.477 1.00 0.00 C ATOM 400 C HIS A 26 13.811 -9.770 -0.646 1.00 0.00 C ATOM 401 O HIS A 26 14.605 -10.473 -1.263 1.00 0.00 O ATOM 402 CB HIS A 26 11.706 -11.014 -0.102 1.00 0.00 C ATOM 403 CG HIS A 26 11.982 -12.185 -0.998 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.608 -12.230 -2.326 1.00 0.00 N ATOM 405 CD2 HIS A 26 12.578 -13.370 -0.740 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.963 -13.393 -2.840 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.555 -14.102 -1.900 1.00 0.00 N ATOM 0 H HIS A 26 11.618 -9.005 1.342 1.00 0.00 H new ATOM 0 HA HIS A 26 13.551 -11.110 0.999 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.070 -11.342 0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.144 -10.267 -0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.996 -13.683 0.205 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.796 -13.710 -3.859 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.934 -15.042 -2.016 1.00 0.00 H new ATOM 416 N LYS A 27 13.644 -8.478 -0.894 1.00 0.00 N ATOM 417 CA LYS A 27 14.356 -7.811 -1.977 1.00 0.00 C ATOM 418 C LYS A 27 15.786 -7.474 -1.554 1.00 0.00 C ATOM 419 O LYS A 27 16.683 -7.385 -2.391 1.00 0.00 O ATOM 420 CB LYS A 27 13.601 -6.542 -2.391 1.00 0.00 C ATOM 421 CG LYS A 27 14.075 -5.924 -3.701 1.00 0.00 C ATOM 422 CD LYS A 27 14.035 -6.930 -4.843 1.00 0.00 C ATOM 423 CE LYS A 27 14.204 -6.263 -6.200 1.00 0.00 C ATOM 424 NZ LYS A 27 15.378 -5.351 -6.247 1.00 0.00 N1+ ATOM 0 H LYS A 27 13.022 -7.871 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 27 14.408 -8.485 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.540 -6.777 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.699 -5.801 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.447 -5.068 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.092 -5.550 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.824 -7.669 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.087 -7.467 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.314 -7.030 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.302 -5.700 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.549 -5.055 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.190 -4.513 -5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.217 -5.846 -5.884 1.00 0.00 H new ATOM 438 N LYS A 28 15.993 -7.286 -0.253 1.00 0.00 N ATOM 439 CA LYS A 28 17.328 -7.024 0.277 1.00 0.00 C ATOM 440 C LYS A 28 18.166 -8.299 0.281 1.00 0.00 C ATOM 441 O LYS A 28 19.320 -8.293 -0.142 1.00 0.00 O ATOM 442 CB LYS A 28 17.262 -6.430 1.693 1.00 0.00 C ATOM 443 CG LYS A 28 16.735 -5.001 1.731 1.00 0.00 C ATOM 444 CD LYS A 28 16.920 -4.360 3.102 1.00 0.00 C ATOM 445 CE LYS A 28 16.004 -4.970 4.157 1.00 0.00 C ATOM 446 NZ LYS A 28 14.568 -4.700 3.877 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.256 -7.310 0.452 1.00 0.00 H new ATOM 0 HA LYS A 28 17.803 -6.292 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.624 -7.060 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.258 -6.453 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.251 -4.404 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.677 -4.998 1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.958 -4.473 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.724 -3.290 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.168 -6.047 4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.263 -4.569 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.007 -4.886 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.450 -3.706 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.242 -5.319 3.108 1.00 0.00 H new ATOM 460 N LYS A 29 17.574 -9.395 0.747 1.00 0.00 N ATOM 461 CA LYS A 29 18.269 -10.678 0.793 1.00 0.00 C ATOM 462 C LYS A 29 18.329 -11.332 -0.581 1.00 0.00 C ATOM 463 O LYS A 29 19.181 -12.187 -0.838 1.00 0.00 O ATOM 464 CB LYS A 29 17.595 -11.614 1.794 1.00 0.00 C ATOM 465 CG LYS A 29 18.180 -11.529 3.192 1.00 0.00 C ATOM 466 CD LYS A 29 17.253 -12.148 4.222 1.00 0.00 C ATOM 467 CE LYS A 29 16.103 -11.212 4.554 1.00 0.00 C ATOM 468 NZ LYS A 29 16.590 -9.957 5.186 1.00 0.00 N1+ ATOM 0 H LYS A 29 16.616 -9.421 1.098 1.00 0.00 H new ATOM 0 HA LYS A 29 19.292 -10.488 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.531 -11.380 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.681 -12.640 1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 29 19.144 -12.038 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.364 -10.486 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.860 -13.091 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.813 -12.377 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.552 -10.973 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.406 -11.713 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.786 -9.441 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.273 -10.188 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.051 -9.363 4.468 1.00 0.00 H new ATOM 482 N HIS A 30 17.427 -10.940 -1.465 1.00 0.00 N ATOM 483 CA HIS A 30 17.424 -11.461 -2.821 1.00 0.00 C ATOM 484 C HIS A 30 17.204 -10.357 -3.843 1.00 0.00 C ATOM 485 O HIS A 30 16.069 -10.068 -4.217 1.00 0.00 O ATOM 486 CB HIS A 30 16.355 -12.540 -3.004 1.00 0.00 C ATOM 487 CG HIS A 30 16.792 -13.907 -2.585 1.00 0.00 C ATOM 488 ND1 HIS A 30 17.545 -14.727 -3.393 1.00 0.00 N ATOM 489 CD2 HIS A 30 16.573 -14.602 -1.445 1.00 0.00 C ATOM 490 CE1 HIS A 30 17.765 -15.869 -2.772 1.00 0.00 C ATOM 491 NE2 HIS A 30 17.187 -15.819 -1.587 1.00 0.00 N ATOM 0 H HIS A 30 16.689 -10.264 -1.268 1.00 0.00 H new ATOM 0 HA HIS A 30 18.406 -11.904 -2.986 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.470 -12.261 -2.431 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.059 -12.570 -4.053 1.00 0.00 H new ATOM 0 HD1 HIS A 30 17.881 -14.489 -4.326 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.018 -14.261 -0.584 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.324 -16.705 -3.167 1.00 0.00 H new ATOM 500 N PRO A 31 18.290 -9.718 -4.298 1.00 0.00 N ATOM 501 CA PRO A 31 18.235 -8.748 -5.392 1.00 0.00 C ATOM 502 C PRO A 31 17.874 -9.426 -6.708 1.00 0.00 C ATOM 503 O PRO A 31 17.466 -8.778 -7.670 1.00 0.00 O ATOM 504 CB PRO A 31 19.660 -8.176 -5.458 1.00 0.00 C ATOM 505 CG PRO A 31 20.314 -8.589 -4.183 1.00 0.00 C ATOM 506 CD PRO A 31 19.650 -9.869 -3.770 1.00 0.00 C ATOM 0 HA PRO A 31 17.477 -7.982 -5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.200 -8.566 -6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.643 -7.091 -5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.385 -8.733 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.193 -7.823 -3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.153 -10.739 -4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 31 19.651 -9.994 -2.687 1.00 0.00 H new ATOM 514 N ASP A 32 18.017 -10.744 -6.728 1.00 0.00 N ATOM 515 CA ASP A 32 17.719 -11.541 -7.909 1.00 0.00 C ATOM 516 C ASP A 32 16.239 -11.908 -7.953 1.00 0.00 C ATOM 517 O ASP A 32 15.670 -12.113 -9.025 1.00 0.00 O ATOM 518 CB ASP A 32 18.565 -12.818 -7.912 1.00 0.00 C ATOM 519 CG ASP A 32 18.191 -13.773 -6.792 1.00 0.00 C ATOM 520 OD1 ASP A 32 18.478 -13.465 -5.612 1.00 0.00 O1- ATOM 521 OD2 ASP A 32 17.603 -14.831 -7.081 1.00 0.00 O ATOM 0 H ASP A 32 18.342 -11.289 -5.929 1.00 0.00 H new ATOM 0 HA ASP A 32 17.960 -10.946 -8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.447 -13.324 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.618 -12.551 -7.820 1.00 0.00 H new ATOM 526 N ALA A 33 15.613 -11.968 -6.788 1.00 0.00 N ATOM 527 CA ALA A 33 14.232 -12.411 -6.701 1.00 0.00 C ATOM 528 C ALA A 33 13.271 -11.240 -6.569 1.00 0.00 C ATOM 529 O ALA A 33 12.980 -10.773 -5.463 1.00 0.00 O ATOM 530 CB ALA A 33 14.049 -13.377 -5.544 1.00 0.00 C ATOM 0 H ALA A 33 16.037 -11.717 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 33 13.999 -12.928 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.008 -13.696 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.689 -14.247 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.319 -12.882 -4.611 1.00 0.00 H new ATOM 536 N SER A 34 12.792 -10.767 -7.704 1.00 0.00 N ATOM 537 CA SER A 34 11.792 -9.717 -7.737 1.00 0.00 C ATOM 538 C SER A 34 10.412 -10.345 -7.551 1.00 0.00 C ATOM 539 O SER A 34 10.047 -11.272 -8.277 1.00 0.00 O ATOM 540 CB SER A 34 11.880 -8.965 -9.070 1.00 0.00 C ATOM 541 OG SER A 34 11.086 -7.794 -9.066 1.00 0.00 O ATOM 0 H SER A 34 13.083 -11.098 -8.624 1.00 0.00 H new ATOM 0 HA SER A 34 11.966 -9.002 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.918 -8.700 -9.270 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.557 -9.620 -9.879 1.00 0.00 H new ATOM 0 HG SER A 34 11.065 -7.410 -9.967 1.00 0.00 H new ATOM 547 N VAL A 35 9.664 -9.870 -6.563 1.00 0.00 N ATOM 548 CA VAL A 35 8.368 -10.460 -6.251 1.00 0.00 C ATOM 549 C VAL A 35 7.340 -10.100 -7.315 1.00 0.00 C ATOM 550 O VAL A 35 7.332 -8.987 -7.845 1.00 0.00 O ATOM 551 CB VAL A 35 7.840 -10.027 -4.859 1.00 0.00 C ATOM 552 CG1 VAL A 35 8.878 -10.262 -3.776 1.00 0.00 C ATOM 553 CG2 VAL A 35 7.397 -8.576 -4.863 1.00 0.00 C ATOM 0 H VAL A 35 9.929 -9.085 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 35 8.517 -11.540 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 35 6.971 -10.647 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.476 -9.948 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.129 -11.322 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.775 -9.685 -4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.032 -8.304 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.241 -7.939 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.599 -8.441 -5.593 1.00 0.00 H new ATOM 563 N ASN A 36 6.497 -11.058 -7.643 1.00 0.00 N ATOM 564 CA ASN A 36 5.411 -10.831 -8.578 1.00 0.00 C ATOM 565 C ASN A 36 4.262 -10.119 -7.875 1.00 0.00 C ATOM 566 O ASN A 36 3.923 -10.450 -6.737 1.00 0.00 O ATOM 567 CB ASN A 36 4.927 -12.166 -9.147 1.00 0.00 C ATOM 568 CG ASN A 36 3.767 -12.015 -10.111 1.00 0.00 C ATOM 569 OD1 ASN A 36 3.631 -11.005 -10.801 1.00 0.00 O ATOM 570 ND2 ASN A 36 2.914 -13.022 -10.151 1.00 0.00 N ATOM 0 H ASN A 36 6.543 -12.008 -7.274 1.00 0.00 H new ATOM 0 HA ASN A 36 5.770 -10.205 -9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.755 -12.658 -9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.627 -12.817 -8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.105 -12.981 -10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.064 -13.841 -9.562 1.00 0.00 H new ATOM 577 N PHE A 37 3.664 -9.146 -8.548 1.00 0.00 N ATOM 578 CA PHE A 37 2.549 -8.401 -7.978 1.00 0.00 C ATOM 579 C PHE A 37 1.386 -9.323 -7.644 1.00 0.00 C ATOM 580 O PHE A 37 0.781 -9.208 -6.582 1.00 0.00 O ATOM 581 CB PHE A 37 2.092 -7.292 -8.928 1.00 0.00 C ATOM 582 CG PHE A 37 3.018 -6.111 -8.949 1.00 0.00 C ATOM 583 CD1 PHE A 37 4.172 -6.123 -9.719 1.00 0.00 C ATOM 584 CD2 PHE A 37 2.735 -4.991 -8.189 1.00 0.00 C ATOM 585 CE1 PHE A 37 5.024 -5.036 -9.728 1.00 0.00 C ATOM 586 CE2 PHE A 37 3.583 -3.904 -8.194 1.00 0.00 C ATOM 587 CZ PHE A 37 4.728 -3.925 -8.963 1.00 0.00 C ATOM 0 H PHE A 37 3.931 -8.854 -9.488 1.00 0.00 H new ATOM 0 HA PHE A 37 2.897 -7.942 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.009 -7.698 -9.936 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.096 -6.959 -8.635 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.406 -6.991 -10.317 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.840 -4.968 -7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.919 -5.055 -10.332 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.351 -3.036 -7.595 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.392 -3.073 -8.967 1.00 0.00 H new ATOM 597 N SER A 38 1.089 -10.245 -8.547 1.00 0.00 N ATOM 598 CA SER A 38 0.024 -11.208 -8.326 1.00 0.00 C ATOM 599 C SER A 38 0.326 -12.070 -7.098 1.00 0.00 C ATOM 600 O SER A 38 -0.531 -12.259 -6.235 1.00 0.00 O ATOM 601 CB SER A 38 -0.138 -12.099 -9.560 1.00 0.00 C ATOM 602 OG SER A 38 -0.230 -11.326 -10.745 1.00 0.00 O ATOM 0 H SER A 38 1.572 -10.346 -9.440 1.00 0.00 H new ATOM 0 HA SER A 38 -0.905 -10.665 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.709 -12.781 -9.633 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.032 -12.713 -9.453 1.00 0.00 H new ATOM 0 HG SER A 38 -0.331 -11.921 -11.517 1.00 0.00 H new ATOM 608 N GLU A 39 1.564 -12.555 -7.003 1.00 0.00 N ATOM 609 CA GLU A 39 1.921 -13.513 -5.967 1.00 0.00 C ATOM 610 C GLU A 39 1.911 -12.862 -4.590 1.00 0.00 C ATOM 611 O GLU A 39 1.308 -13.383 -3.647 1.00 0.00 O ATOM 612 CB GLU A 39 3.298 -14.146 -6.250 1.00 0.00 C ATOM 613 CG GLU A 39 4.502 -13.303 -5.846 1.00 0.00 C ATOM 614 CD GLU A 39 5.814 -14.050 -5.963 1.00 0.00 C ATOM 615 OE1 GLU A 39 6.042 -14.991 -5.175 1.00 0.00 O1- ATOM 616 OE2 GLU A 39 6.626 -13.698 -6.839 1.00 0.00 O ATOM 0 H GLU A 39 2.329 -12.300 -7.628 1.00 0.00 H new ATOM 0 HA GLU A 39 1.170 -14.303 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.354 -15.101 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.368 -14.361 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.541 -12.412 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.373 -12.965 -4.818 1.00 0.00 H new ATOM 623 N PHE A 40 2.548 -11.708 -4.493 1.00 0.00 N ATOM 624 CA PHE A 40 2.819 -11.098 -3.209 1.00 0.00 C ATOM 625 C PHE A 40 1.581 -10.416 -2.647 1.00 0.00 C ATOM 626 O PHE A 40 1.170 -10.695 -1.523 1.00 0.00 O ATOM 627 CB PHE A 40 3.970 -10.103 -3.334 1.00 0.00 C ATOM 628 CG PHE A 40 4.728 -9.915 -2.056 1.00 0.00 C ATOM 629 CD1 PHE A 40 5.647 -10.865 -1.645 1.00 0.00 C ATOM 630 CD2 PHE A 40 4.517 -8.803 -1.262 1.00 0.00 C ATOM 631 CE1 PHE A 40 6.346 -10.709 -0.466 1.00 0.00 C ATOM 632 CE2 PHE A 40 5.211 -8.641 -0.082 1.00 0.00 C ATOM 633 CZ PHE A 40 6.126 -9.596 0.316 1.00 0.00 C ATOM 0 H PHE A 40 2.887 -11.175 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 40 3.106 -11.886 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.656 -10.446 -4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.576 -9.141 -3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.819 -11.739 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.802 -8.054 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.062 -11.456 -0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.039 -7.768 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.669 -9.470 1.241 1.00 0.00 H new ATOM 643 N SER A 41 0.984 -9.535 -3.441 1.00 0.00 N ATOM 644 CA SER A 41 -0.191 -8.791 -3.017 1.00 0.00 C ATOM 645 C SER A 41 -1.311 -9.728 -2.564 1.00 0.00 C ATOM 646 O SER A 41 -1.925 -9.504 -1.522 1.00 0.00 O ATOM 647 CB SER A 41 -0.667 -7.887 -4.156 1.00 0.00 C ATOM 648 OG SER A 41 0.281 -6.868 -4.425 1.00 0.00 O ATOM 0 H SER A 41 1.298 -9.319 -4.387 1.00 0.00 H new ATOM 0 HA SER A 41 0.081 -8.173 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.831 -8.483 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.625 -7.438 -3.893 1.00 0.00 H new ATOM 0 HG SER A 41 -0.044 -6.304 -5.158 1.00 0.00 H new ATOM 654 N LYS A 42 -1.551 -10.792 -3.327 1.00 0.00 N ATOM 655 CA LYS A 42 -2.656 -11.703 -3.046 1.00 0.00 C ATOM 656 C LYS A 42 -2.515 -12.332 -1.656 1.00 0.00 C ATOM 657 O LYS A 42 -3.407 -12.196 -0.808 1.00 0.00 O ATOM 658 CB LYS A 42 -2.718 -12.787 -4.129 1.00 0.00 C ATOM 659 CG LYS A 42 -4.093 -13.416 -4.317 1.00 0.00 C ATOM 660 CD LYS A 42 -4.431 -14.421 -3.229 1.00 0.00 C ATOM 661 CE LYS A 42 -5.819 -15.002 -3.432 1.00 0.00 C ATOM 662 NZ LYS A 42 -6.112 -16.079 -2.455 1.00 0.00 N1+ ATOM 0 H LYS A 42 -0.995 -11.044 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.587 -11.136 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.398 -12.354 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.004 -13.572 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.849 -12.631 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.132 -13.910 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.694 -15.224 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.375 -13.938 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.562 -14.211 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.904 -15.396 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.136 -16.114 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.797 -16.992 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.610 -15.886 -1.565 1.00 0.00 H new ATOM 676 N LYS A 43 -1.389 -12.994 -1.416 1.00 0.00 N ATOM 677 CA LYS A 43 -1.191 -13.718 -0.165 1.00 0.00 C ATOM 678 C LYS A 43 -1.036 -12.767 1.018 1.00 0.00 C ATOM 679 O LYS A 43 -1.517 -13.057 2.113 1.00 0.00 O ATOM 680 CB LYS A 43 0.014 -14.660 -0.264 1.00 0.00 C ATOM 681 CG LYS A 43 1.322 -13.975 -0.620 1.00 0.00 C ATOM 682 CD LYS A 43 2.416 -14.991 -0.896 1.00 0.00 C ATOM 683 CE LYS A 43 3.692 -14.322 -1.372 1.00 0.00 C ATOM 684 NZ LYS A 43 4.730 -15.318 -1.745 1.00 0.00 N1+ ATOM 0 H LYS A 43 -0.604 -13.045 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.084 -14.318 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.136 -15.175 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.198 -15.423 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.178 -13.344 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.627 -13.321 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.620 -15.562 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.073 -15.700 -1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.472 -13.688 -2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.077 -13.672 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.587 -14.823 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.959 -15.907 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.372 -15.922 -2.512 1.00 0.00 H new ATOM 698 N CYS A 44 -0.389 -11.625 0.796 1.00 0.00 N ATOM 699 CA CYS A 44 -0.167 -10.658 1.867 1.00 0.00 C ATOM 700 C CYS A 44 -1.464 -9.962 2.268 1.00 0.00 C ATOM 701 O CYS A 44 -1.623 -9.560 3.422 1.00 0.00 O ATOM 702 CB CYS A 44 0.892 -9.633 1.462 1.00 0.00 C ATOM 703 SG CYS A 44 2.560 -10.324 1.342 1.00 0.00 S ATOM 0 H CYS A 44 -0.012 -11.348 -0.110 1.00 0.00 H new ATOM 0 HA CYS A 44 0.198 -11.206 2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.617 -9.200 0.500 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.896 -8.820 2.188 1.00 0.00 H new ATOM 0 HG CYS A 44 3.323 -9.505 0.681 1.00 0.00 H new ATOM 709 N SER A 45 -2.393 -9.828 1.325 1.00 0.00 N ATOM 710 CA SER A 45 -3.703 -9.270 1.634 1.00 0.00 C ATOM 711 C SER A 45 -4.384 -10.100 2.714 1.00 0.00 C ATOM 712 O SER A 45 -4.697 -9.593 3.791 1.00 0.00 O ATOM 713 CB SER A 45 -4.584 -9.212 0.384 1.00 0.00 C ATOM 714 OG SER A 45 -4.031 -8.345 -0.584 1.00 0.00 O ATOM 0 H SER A 45 -2.263 -10.096 0.349 1.00 0.00 H new ATOM 0 HA SER A 45 -3.562 -8.253 1.999 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.691 -10.212 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.583 -8.871 0.654 1.00 0.00 H new ATOM 0 HG SER A 45 -3.099 -8.597 -0.754 1.00 0.00 H new ATOM 720 N GLU A 46 -4.567 -11.385 2.430 1.00 0.00 N ATOM 721 CA GLU A 46 -5.237 -12.293 3.360 1.00 0.00 C ATOM 722 C GLU A 46 -4.403 -12.482 4.626 1.00 0.00 C ATOM 723 O GLU A 46 -4.936 -12.651 5.725 1.00 0.00 O ATOM 724 CB GLU A 46 -5.475 -13.640 2.681 1.00 0.00 C ATOM 725 CG GLU A 46 -6.194 -13.526 1.348 1.00 0.00 C ATOM 726 CD GLU A 46 -6.380 -14.868 0.677 1.00 0.00 C ATOM 727 OE1 GLU A 46 -5.445 -15.329 -0.010 1.00 0.00 O1- ATOM 728 OE2 GLU A 46 -7.451 -15.478 0.848 1.00 0.00 O ATOM 0 H GLU A 46 -4.261 -11.824 1.562 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.195 -11.858 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.516 -14.135 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.059 -14.276 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.168 -13.062 1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.628 -12.868 0.688 1.00 0.00 H new ATOM 735 N ARG A 47 -3.091 -12.444 4.451 1.00 0.00 N ATOM 736 CA ARG A 47 -2.149 -12.575 5.554 1.00 0.00 C ATOM 737 C ARG A 47 -2.393 -11.494 6.603 1.00 0.00 C ATOM 738 O ARG A 47 -2.530 -11.790 7.787 1.00 0.00 O ATOM 739 CB ARG A 47 -0.722 -12.489 5.007 1.00 0.00 C ATOM 740 CG ARG A 47 0.374 -12.628 6.048 1.00 0.00 C ATOM 741 CD ARG A 47 1.741 -12.680 5.381 1.00 0.00 C ATOM 742 NE ARG A 47 2.841 -12.677 6.345 1.00 0.00 N ATOM 743 CZ ARG A 47 4.124 -12.541 6.006 1.00 0.00 C ATOM 744 NH1 ARG A 47 4.472 -12.421 4.727 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 5.060 -12.527 6.946 1.00 0.00 N ATOM 0 H ARG A 47 -2.648 -12.321 3.540 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.291 -13.542 6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.590 -13.268 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.601 -11.532 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.333 -11.788 6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.214 -13.533 6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.806 -13.577 4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.847 -11.826 4.713 1.00 0.00 H new ATOM 0 HE ARG A 47 2.614 -12.785 7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.756 -12.433 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.454 -12.317 4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.799 -12.620 7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.041 -12.423 6.687 1.00 0.00 H new ATOM 759 N TRP A 48 -2.474 -10.248 6.153 1.00 0.00 N ATOM 760 CA TRP A 48 -2.721 -9.121 7.043 1.00 0.00 C ATOM 761 C TRP A 48 -4.091 -9.227 7.707 1.00 0.00 C ATOM 762 O TRP A 48 -4.229 -8.981 8.905 1.00 0.00 O ATOM 763 CB TRP A 48 -2.624 -7.806 6.262 1.00 0.00 C ATOM 764 CG TRP A 48 -3.048 -6.596 7.045 1.00 0.00 C ATOM 765 CD1 TRP A 48 -4.289 -6.028 7.061 1.00 0.00 C ATOM 766 CD2 TRP A 48 -2.237 -5.805 7.916 1.00 0.00 C ATOM 767 NE1 TRP A 48 -4.298 -4.932 7.884 1.00 0.00 N ATOM 768 CE2 TRP A 48 -3.048 -4.773 8.424 1.00 0.00 C ATOM 769 CE3 TRP A 48 -0.904 -5.869 8.316 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -2.565 -3.814 9.310 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -0.424 -4.919 9.194 1.00 0.00 C ATOM 772 CH2 TRP A 48 -1.252 -3.905 9.685 1.00 0.00 C ATOM 0 H TRP A 48 -2.372 -9.992 5.171 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.962 -9.138 7.825 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.595 -7.668 5.929 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.241 -7.881 5.367 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.141 -6.390 6.505 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.103 -4.333 8.065 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.257 -6.650 7.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.202 -3.028 9.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.609 -4.959 9.507 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.847 -3.179 10.374 1.00 0.00 H new ATOM 783 N LYS A 49 -5.096 -9.614 6.927 1.00 0.00 N ATOM 784 CA LYS A 49 -6.476 -9.650 7.408 1.00 0.00 C ATOM 785 C LYS A 49 -6.645 -10.642 8.558 1.00 0.00 C ATOM 786 O LYS A 49 -7.587 -10.541 9.342 1.00 0.00 O ATOM 787 CB LYS A 49 -7.435 -10.023 6.275 1.00 0.00 C ATOM 788 CG LYS A 49 -7.300 -9.162 5.028 1.00 0.00 C ATOM 789 CD LYS A 49 -8.360 -9.523 4.000 1.00 0.00 C ATOM 790 CE LYS A 49 -8.195 -8.728 2.715 1.00 0.00 C ATOM 791 NZ LYS A 49 -8.303 -7.263 2.946 1.00 0.00 N1+ ATOM 0 H LYS A 49 -4.982 -9.908 5.957 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.714 -8.651 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.268 -11.065 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.458 -9.950 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.392 -8.110 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.308 -9.295 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.303 -10.589 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.349 -9.337 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.225 -8.954 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.954 -9.038 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.719 -6.809 2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.909 -7.086 3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.357 -6.868 3.120 1.00 0.00 H new ATOM 805 N THR A 50 -5.731 -11.594 8.658 1.00 0.00 N ATOM 806 CA THR A 50 -5.829 -12.629 9.671 1.00 0.00 C ATOM 807 C THR A 50 -4.846 -12.396 10.823 1.00 0.00 C ATOM 808 O THR A 50 -4.718 -13.235 11.715 1.00 0.00 O ATOM 809 CB THR A 50 -5.599 -14.015 9.048 1.00 0.00 C ATOM 810 OG1 THR A 50 -4.398 -14.013 8.265 1.00 0.00 O ATOM 811 CG2 THR A 50 -6.775 -14.413 8.168 1.00 0.00 C ATOM 0 H THR A 50 -4.915 -11.670 8.051 1.00 0.00 H new ATOM 0 HA THR A 50 -6.837 -12.586 10.083 1.00 0.00 H new ATOM 0 HB THR A 50 -5.504 -14.738 9.858 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.560 -13.547 7.418 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.591 -15.397 7.737 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.684 -14.444 8.768 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.894 -13.683 7.367 1.00 0.00 H new ATOM 819 N MET A 51 -4.178 -11.247 10.815 1.00 0.00 N ATOM 820 CA MET A 51 -3.191 -10.927 11.846 1.00 0.00 C ATOM 821 C MET A 51 -3.834 -10.245 13.050 1.00 0.00 C ATOM 822 O MET A 51 -4.917 -9.670 12.945 1.00 0.00 O ATOM 823 CB MET A 51 -2.099 -10.024 11.278 1.00 0.00 C ATOM 824 CG MET A 51 -1.191 -10.717 10.283 1.00 0.00 C ATOM 825 SD MET A 51 -0.015 -9.588 9.514 1.00 0.00 S ATOM 826 CE MET A 51 0.813 -8.928 10.958 1.00 0.00 C ATOM 0 H MET A 51 -4.300 -10.522 10.108 1.00 0.00 H new ATOM 0 HA MET A 51 -2.753 -11.869 12.177 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.565 -9.166 10.794 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.495 -9.638 12.100 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.646 -11.514 10.788 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.798 -11.186 9.509 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.560 -7.874 11.072 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.492 -9.476 11.844 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.891 -9.031 10.838 1.00 0.00 H new ATOM 836 N SER A 52 -3.145 -10.298 14.184 1.00 0.00 N ATOM 837 CA SER A 52 -3.630 -9.683 15.412 1.00 0.00 C ATOM 838 C SER A 52 -3.216 -8.211 15.490 1.00 0.00 C ATOM 839 O SER A 52 -2.247 -7.791 14.848 1.00 0.00 O ATOM 840 CB SER A 52 -3.092 -10.457 16.617 1.00 0.00 C ATOM 841 OG SER A 52 -1.692 -10.674 16.500 1.00 0.00 O ATOM 0 H SER A 52 -2.243 -10.764 14.277 1.00 0.00 H new ATOM 0 HA SER A 52 -4.719 -9.721 15.417 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.303 -9.904 17.532 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.606 -11.415 16.698 1.00 0.00 H new ATOM 0 HG SER A 52 -1.310 -10.018 15.880 1.00 0.00 H new ATOM 847 N ALA A 53 -3.946 -7.438 16.294 1.00 0.00 N ATOM 848 CA ALA A 53 -3.725 -6.001 16.415 1.00 0.00 C ATOM 849 C ALA A 53 -2.351 -5.674 16.994 1.00 0.00 C ATOM 850 O ALA A 53 -1.788 -4.623 16.699 1.00 0.00 O ATOM 851 CB ALA A 53 -4.818 -5.372 17.268 1.00 0.00 C ATOM 0 H ALA A 53 -4.705 -7.791 16.877 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.761 -5.581 15.410 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.643 -4.299 17.351 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.788 -5.546 16.803 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.807 -5.820 18.262 1.00 0.00 H new ATOM 857 N LYS A 54 -1.812 -6.564 17.821 1.00 0.00 N ATOM 858 CA LYS A 54 -0.490 -6.348 18.405 1.00 0.00 C ATOM 859 C LYS A 54 0.586 -6.293 17.323 1.00 0.00 C ATOM 860 O LYS A 54 1.454 -5.415 17.331 1.00 0.00 O ATOM 861 CB LYS A 54 -0.156 -7.431 19.440 1.00 0.00 C ATOM 862 CG LYS A 54 -0.206 -8.854 18.906 1.00 0.00 C ATOM 863 CD LYS A 54 0.241 -9.852 19.961 1.00 0.00 C ATOM 864 CE LYS A 54 0.095 -11.292 19.487 1.00 0.00 C ATOM 865 NZ LYS A 54 0.911 -11.587 18.278 1.00 0.00 N1+ ATOM 0 H LYS A 54 -2.264 -7.434 18.101 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.511 -5.385 18.916 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.841 -7.241 19.837 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.853 -7.345 20.274 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.221 -9.090 18.585 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.434 -8.938 18.027 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.282 -9.661 20.222 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.347 -9.708 20.868 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.389 -11.966 20.292 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.954 -11.494 19.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.235 -12.575 18.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.334 -11.440 17.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.735 -10.953 18.252 1.00 0.00 H new ATOM 879 N GLU A 55 0.512 -7.214 16.375 1.00 0.00 N ATOM 880 CA GLU A 55 1.477 -7.259 15.295 1.00 0.00 C ATOM 881 C GLU A 55 1.190 -6.158 14.290 1.00 0.00 C ATOM 882 O GLU A 55 2.109 -5.560 13.730 1.00 0.00 O ATOM 883 CB GLU A 55 1.454 -8.626 14.627 1.00 0.00 C ATOM 884 CG GLU A 55 1.954 -9.734 15.535 1.00 0.00 C ATOM 885 CD GLU A 55 1.833 -11.097 14.904 1.00 0.00 C ATOM 886 OE1 GLU A 55 2.584 -11.383 13.947 1.00 0.00 O ATOM 887 OE2 GLU A 55 0.994 -11.890 15.370 1.00 0.00 O1- ATOM 0 H GLU A 55 -0.206 -7.938 16.334 1.00 0.00 H new ATOM 0 HA GLU A 55 2.475 -7.096 15.703 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.436 -8.853 14.311 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.068 -8.596 13.727 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.997 -9.547 15.790 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.390 -9.718 16.467 1.00 0.00 H new ATOM 894 N LYS A 56 -0.089 -5.878 14.085 1.00 0.00 N ATOM 895 CA LYS A 56 -0.497 -4.771 13.237 1.00 0.00 C ATOM 896 C LYS A 56 0.002 -3.454 13.820 1.00 0.00 C ATOM 897 O LYS A 56 0.389 -2.540 13.088 1.00 0.00 O ATOM 898 CB LYS A 56 -2.017 -4.746 13.082 1.00 0.00 C ATOM 899 CG LYS A 56 -2.559 -5.928 12.296 1.00 0.00 C ATOM 900 CD LYS A 56 -4.066 -5.847 12.135 1.00 0.00 C ATOM 901 CE LYS A 56 -4.570 -6.871 11.130 1.00 0.00 C ATOM 902 NZ LYS A 56 -6.037 -6.772 10.925 1.00 0.00 N1+ ATOM 0 H LYS A 56 -0.861 -6.403 14.495 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.056 -4.906 12.250 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.476 -4.734 14.070 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.310 -3.822 12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.089 -5.959 11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.296 -6.855 12.805 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.546 -6.014 13.099 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.346 -4.845 11.808 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.060 -6.726 10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.319 -7.873 11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.340 -7.487 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.526 -6.936 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.275 -5.824 10.570 1.00 0.00 H new ATOM 916 N GLY A 57 0.013 -3.383 15.148 1.00 0.00 N ATOM 917 CA GLY A 57 0.514 -2.213 15.839 1.00 0.00 C ATOM 918 C GLY A 57 1.977 -1.957 15.551 1.00 0.00 C ATOM 919 O GLY A 57 2.421 -0.809 15.551 1.00 0.00 O ATOM 0 H GLY A 57 -0.321 -4.126 15.762 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.070 -1.341 15.543 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.374 -2.341 16.912 1.00 0.00 H new ATOM 923 N LYS A 58 2.728 -3.026 15.312 1.00 0.00 N ATOM 924 CA LYS A 58 4.129 -2.902 14.920 1.00 0.00 C ATOM 925 C LYS A 58 4.246 -2.183 13.578 1.00 0.00 C ATOM 926 O LYS A 58 5.052 -1.264 13.416 1.00 0.00 O ATOM 927 CB LYS A 58 4.786 -4.283 14.831 1.00 0.00 C ATOM 928 CG LYS A 58 6.217 -4.249 14.311 1.00 0.00 C ATOM 929 CD LYS A 58 6.834 -5.639 14.256 1.00 0.00 C ATOM 930 CE LYS A 58 6.096 -6.554 13.294 1.00 0.00 C ATOM 931 NZ LYS A 58 5.618 -7.794 13.965 1.00 0.00 N1+ ATOM 0 H LYS A 58 2.392 -3.987 15.382 1.00 0.00 H new ATOM 0 HA LYS A 58 4.645 -2.316 15.680 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.779 -4.743 15.819 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.187 -4.919 14.179 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.231 -3.806 13.315 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.822 -3.609 14.953 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.878 -5.560 13.952 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.825 -6.079 15.253 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.246 -6.022 12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.755 -6.819 12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.120 -8.392 13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.431 -8.315 14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.969 -7.542 14.738 1.00 0.00 H new ATOM 945 N PHE A 59 3.424 -2.598 12.621 1.00 0.00 N ATOM 946 CA PHE A 59 3.447 -2.007 11.288 1.00 0.00 C ATOM 947 C PHE A 59 2.852 -0.603 11.307 1.00 0.00 C ATOM 948 O PHE A 59 3.173 0.233 10.462 1.00 0.00 O ATOM 949 CB PHE A 59 2.700 -2.895 10.292 1.00 0.00 C ATOM 950 CG PHE A 59 3.308 -4.262 10.154 1.00 0.00 C ATOM 951 CD1 PHE A 59 4.412 -4.465 9.342 1.00 0.00 C ATOM 952 CD2 PHE A 59 2.785 -5.342 10.843 1.00 0.00 C ATOM 953 CE1 PHE A 59 4.981 -5.719 9.223 1.00 0.00 C ATOM 954 CE2 PHE A 59 3.348 -6.596 10.727 1.00 0.00 C ATOM 955 CZ PHE A 59 4.448 -6.786 9.916 1.00 0.00 C ATOM 0 H PHE A 59 2.735 -3.340 12.743 1.00 0.00 H new ATOM 0 HA PHE A 59 4.486 -1.931 10.968 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.662 -2.995 10.610 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.689 -2.408 9.317 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.833 -3.634 8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.924 -5.201 11.480 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.842 -5.863 8.588 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.928 -7.429 11.271 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.890 -7.767 9.824 1.00 0.00 H new ATOM 965 N GLU A 60 1.989 -0.345 12.278 1.00 0.00 N ATOM 966 CA GLU A 60 1.445 0.988 12.473 1.00 0.00 C ATOM 967 C GLU A 60 2.506 1.897 13.087 1.00 0.00 C ATOM 968 O GLU A 60 2.610 3.074 12.740 1.00 0.00 O ATOM 969 CB GLU A 60 0.203 0.931 13.366 1.00 0.00 C ATOM 970 CG GLU A 60 -0.499 2.271 13.529 1.00 0.00 C ATOM 971 CD GLU A 60 -1.793 2.158 14.307 1.00 0.00 C ATOM 972 OE1 GLU A 60 -1.743 2.179 15.554 1.00 0.00 O1- ATOM 973 OE2 GLU A 60 -2.866 2.052 13.675 1.00 0.00 O ATOM 0 H GLU A 60 1.651 -1.041 12.942 1.00 0.00 H new ATOM 0 HA GLU A 60 1.152 1.396 11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.501 0.211 12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.491 0.560 14.350 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.168 2.967 14.038 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.706 2.691 12.545 1.00 0.00 H new ATOM 980 N ASP A 61 3.305 1.334 13.985 1.00 0.00 N ATOM 981 CA ASP A 61 4.378 2.081 14.632 1.00 0.00 C ATOM 982 C ASP A 61 5.454 2.468 13.631 1.00 0.00 C ATOM 983 O ASP A 61 5.888 3.615 13.595 1.00 0.00 O ATOM 984 CB ASP A 61 5.004 1.264 15.761 1.00 0.00 C ATOM 985 CG ASP A 61 6.241 1.924 16.342 1.00 0.00 C ATOM 986 OD1 ASP A 61 6.098 2.899 17.110 1.00 0.00 O ATOM 987 OD2 ASP A 61 7.361 1.461 16.043 1.00 0.00 O1- ATOM 0 H ASP A 61 3.230 0.361 14.283 1.00 0.00 H new ATOM 0 HA ASP A 61 3.940 2.988 15.048 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.268 1.120 16.552 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.267 0.275 15.386 1.00 0.00 H new ATOM 992 N MET A 62 5.872 1.513 12.807 1.00 0.00 N ATOM 993 CA MET A 62 6.905 1.774 11.809 1.00 0.00 C ATOM 994 C MET A 62 6.419 2.806 10.793 1.00 0.00 C ATOM 995 O MET A 62 7.216 3.531 10.200 1.00 0.00 O ATOM 996 CB MET A 62 7.331 0.483 11.097 1.00 0.00 C ATOM 997 CG MET A 62 6.245 -0.136 10.230 1.00 0.00 C ATOM 998 SD MET A 62 6.784 -1.637 9.389 1.00 0.00 S ATOM 999 CE MET A 62 7.107 -2.703 10.789 1.00 0.00 C ATOM 0 H MET A 62 5.515 0.558 12.809 1.00 0.00 H new ATOM 0 HA MET A 62 7.776 2.175 12.328 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.201 0.694 10.475 1.00 0.00 H new ATOM 0 HB3 MET A 62 7.643 -0.246 11.845 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.379 -0.365 10.851 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.921 0.593 9.488 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.777 -3.716 10.559 1.00 0.00 H new ATOM 0 HE2 MET A 62 8.176 -2.709 11.003 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.565 -2.334 11.660 1.00 0.00 H new ATOM 1009 N ALA A 63 5.103 2.878 10.616 1.00 0.00 N ATOM 1010 CA ALA A 63 4.507 3.859 9.723 1.00 0.00 C ATOM 1011 C ALA A 63 4.527 5.244 10.359 1.00 0.00 C ATOM 1012 O ALA A 63 4.927 6.221 9.729 1.00 0.00 O ATOM 1013 CB ALA A 63 3.084 3.457 9.363 1.00 0.00 C ATOM 0 H ALA A 63 4.431 2.267 11.081 1.00 0.00 H new ATOM 0 HA ALA A 63 5.097 3.894 8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.653 4.202 8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.095 2.487 8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.483 3.394 10.270 1.00 0.00 H new ATOM 1019 N LYS A 64 4.117 5.325 11.622 1.00 0.00 N ATOM 1020 CA LYS A 64 4.065 6.606 12.314 1.00 0.00 C ATOM 1021 C LYS A 64 5.472 7.100 12.635 1.00 0.00 C ATOM 1022 O LYS A 64 5.707 8.300 12.790 1.00 0.00 O ATOM 1023 CB LYS A 64 3.210 6.506 13.583 1.00 0.00 C ATOM 1024 CG LYS A 64 3.840 5.739 14.734 1.00 0.00 C ATOM 1025 CD LYS A 64 2.876 5.647 15.911 1.00 0.00 C ATOM 1026 CE LYS A 64 3.487 4.925 17.100 1.00 0.00 C ATOM 1027 NZ LYS A 64 4.657 5.652 17.654 1.00 0.00 N1+ ATOM 0 H LYS A 64 3.819 4.526 12.181 1.00 0.00 H new ATOM 0 HA LYS A 64 3.595 7.334 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.978 7.515 13.925 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.263 6.030 13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.115 4.737 14.403 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.759 6.234 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.577 6.651 16.213 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.972 5.126 15.597 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.733 4.806 17.878 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.793 3.924 16.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.516 5.811 18.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.518 5.087 17.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.757 6.568 17.171 1.00 0.00 H new ATOM 1041 N ALA A 65 6.400 6.163 12.732 1.00 0.00 N ATOM 1042 CA ALA A 65 7.813 6.484 12.888 1.00 0.00 C ATOM 1043 C ALA A 65 8.358 7.117 11.613 1.00 0.00 C ATOM 1044 O ALA A 65 9.074 8.119 11.665 1.00 0.00 O ATOM 1045 CB ALA A 65 8.614 5.237 13.240 1.00 0.00 C ATOM 0 H ALA A 65 6.199 5.163 12.705 1.00 0.00 H new ATOM 0 HA ALA A 65 7.912 7.199 13.705 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.666 5.500 13.352 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.243 4.818 14.176 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.507 4.499 12.445 1.00 0.00 H new ATOM 1051 N ASP A 66 8.005 6.537 10.468 1.00 0.00 N ATOM 1052 CA ASP A 66 8.451 7.064 9.183 1.00 0.00 C ATOM 1053 C ASP A 66 7.788 8.407 8.921 1.00 0.00 C ATOM 1054 O ASP A 66 8.376 9.285 8.306 1.00 0.00 O ATOM 1055 CB ASP A 66 8.133 6.091 8.046 1.00 0.00 C ATOM 1056 CG ASP A 66 9.048 6.280 6.847 1.00 0.00 C ATOM 1057 OD1 ASP A 66 8.761 7.143 5.993 1.00 0.00 O1- ATOM 1058 OD2 ASP A 66 10.066 5.554 6.758 1.00 0.00 O ATOM 0 H ASP A 66 7.415 5.707 10.405 1.00 0.00 H new ATOM 0 HA ASP A 66 9.533 7.194 9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.224 5.068 8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.097 6.227 7.734 1.00 0.00 H new ATOM 1063 N LYS A 67 6.559 8.559 9.407 1.00 0.00 N ATOM 1064 CA LYS A 67 5.859 9.840 9.351 1.00 0.00 C ATOM 1065 C LYS A 67 6.695 10.936 10.012 1.00 0.00 C ATOM 1066 O LYS A 67 6.871 12.017 9.452 1.00 0.00 O ATOM 1067 CB LYS A 67 4.490 9.727 10.034 1.00 0.00 C ATOM 1068 CG LYS A 67 3.780 11.060 10.233 1.00 0.00 C ATOM 1069 CD LYS A 67 3.469 11.750 8.911 1.00 0.00 C ATOM 1070 CE LYS A 67 2.832 13.116 9.133 1.00 0.00 C ATOM 1071 NZ LYS A 67 1.540 13.021 9.864 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.025 7.808 9.846 1.00 0.00 H new ATOM 0 HA LYS A 67 5.706 10.107 8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.852 9.074 9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.619 9.248 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.853 10.897 10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.403 11.713 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.387 11.864 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.798 11.125 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.519 13.749 9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.668 13.599 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.054 13.940 9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.942 12.296 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.720 12.761 10.855 1.00 0.00 H new ATOM 1085 N ALA A 68 7.220 10.642 11.197 1.00 0.00 N ATOM 1086 CA ALA A 68 8.070 11.587 11.916 1.00 0.00 C ATOM 1087 C ALA A 68 9.363 11.833 11.149 1.00 0.00 C ATOM 1088 O ALA A 68 9.861 12.958 11.101 1.00 0.00 O ATOM 1089 CB ALA A 68 8.372 11.073 13.316 1.00 0.00 C ATOM 0 H ALA A 68 7.072 9.756 11.681 1.00 0.00 H new ATOM 0 HA ALA A 68 7.536 12.533 12.003 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.006 11.790 13.838 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.440 10.946 13.866 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.887 10.115 13.249 1.00 0.00 H new ATOM 1095 N ARG A 69 9.892 10.777 10.539 1.00 0.00 N ATOM 1096 CA ARG A 69 11.084 10.902 9.717 1.00 0.00 C ATOM 1097 C ARG A 69 10.786 11.782 8.513 1.00 0.00 C ATOM 1098 O ARG A 69 11.537 12.697 8.220 1.00 0.00 O ATOM 1099 CB ARG A 69 11.595 9.531 9.254 1.00 0.00 C ATOM 1100 CG ARG A 69 12.813 9.622 8.346 1.00 0.00 C ATOM 1101 CD ARG A 69 14.003 10.233 9.070 1.00 0.00 C ATOM 1102 NE ARG A 69 14.999 10.781 8.145 1.00 0.00 N ATOM 1103 CZ ARG A 69 16.191 11.240 8.524 1.00 0.00 C ATOM 1104 NH1 ARG A 69 16.595 11.099 9.780 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 16.990 11.824 7.636 1.00 0.00 N ATOM 0 H ARG A 69 9.514 9.831 10.599 1.00 0.00 H new ATOM 0 HA ARG A 69 11.866 11.361 10.321 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.845 8.929 10.128 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.795 9.011 8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.076 8.627 7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.571 10.223 7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.654 11.024 9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 69 14.472 9.475 9.697 1.00 0.00 H new ATOM 0 HE ARG A 69 14.766 10.813 7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.992 10.637 10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.509 11.452 10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.690 11.920 6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.903 12.176 7.925 1.00 0.00 H new ATOM 1119 N TYR A 70 9.669 11.503 7.846 1.00 0.00 N ATOM 1120 CA TYR A 70 9.221 12.266 6.693 1.00 0.00 C ATOM 1121 C TYR A 70 9.153 13.754 7.017 1.00 0.00 C ATOM 1122 O TYR A 70 9.655 14.591 6.264 1.00 0.00 O ATOM 1123 CB TYR A 70 7.842 11.752 6.259 1.00 0.00 C ATOM 1124 CG TYR A 70 7.222 12.529 5.127 1.00 0.00 C ATOM 1125 CD1 TYR A 70 6.447 13.651 5.376 1.00 0.00 C ATOM 1126 CD2 TYR A 70 7.413 12.140 3.813 1.00 0.00 C ATOM 1127 CE1 TYR A 70 5.884 14.366 4.346 1.00 0.00 C ATOM 1128 CE2 TYR A 70 6.852 12.848 2.773 1.00 0.00 C ATOM 1129 CZ TYR A 70 6.088 13.963 3.042 1.00 0.00 C ATOM 1130 OH TYR A 70 5.532 14.680 2.007 1.00 0.00 O ATOM 0 H TYR A 70 9.047 10.734 8.096 1.00 0.00 H new ATOM 0 HA TYR A 70 9.935 12.135 5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.933 10.708 5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.169 11.781 7.116 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.283 13.968 6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.012 11.267 3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.285 15.239 4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.010 12.531 1.753 1.00 0.00 H new ATOM 0 HH TYR A 70 5.773 14.263 1.154 1.00 0.00 H new ATOM 1140 N GLU A 71 8.530 14.067 8.145 1.00 0.00 N ATOM 1141 CA GLU A 71 8.382 15.436 8.598 1.00 0.00 C ATOM 1142 C GLU A 71 9.740 16.116 8.750 1.00 0.00 C ATOM 1143 O GLU A 71 9.984 17.170 8.162 1.00 0.00 O ATOM 1144 CB GLU A 71 7.613 15.439 9.918 1.00 0.00 C ATOM 1145 CG GLU A 71 6.139 15.107 9.746 1.00 0.00 C ATOM 1146 CD GLU A 71 5.397 16.129 8.905 1.00 0.00 C ATOM 1147 OE1 GLU A 71 5.466 16.051 7.662 1.00 0.00 O1- ATOM 1148 OE2 GLU A 71 4.732 17.017 9.483 1.00 0.00 O ATOM 0 H GLU A 71 8.114 13.376 8.769 1.00 0.00 H new ATOM 0 HA GLU A 71 7.824 16.004 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.066 14.717 10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.707 16.419 10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.045 14.125 9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.670 15.042 10.728 1.00 0.00 H new ATOM 1155 N ARG A 72 10.633 15.487 9.506 1.00 0.00 N ATOM 1156 CA ARG A 72 11.957 16.052 9.752 1.00 0.00 C ATOM 1157 C ARG A 72 12.790 16.040 8.474 1.00 0.00 C ATOM 1158 O ARG A 72 13.605 16.934 8.241 1.00 0.00 O ATOM 1159 CB ARG A 72 12.684 15.271 10.857 1.00 0.00 C ATOM 1160 CG ARG A 72 11.859 15.098 12.123 1.00 0.00 C ATOM 1161 CD ARG A 72 11.437 16.435 12.711 1.00 0.00 C ATOM 1162 NE ARG A 72 10.444 16.274 13.773 1.00 0.00 N ATOM 1163 CZ ARG A 72 9.798 17.287 14.348 1.00 0.00 C ATOM 1164 NH1 ARG A 72 10.067 18.536 13.991 1.00 0.00 N1+ ATOM 1165 NH2 ARG A 72 8.887 17.047 15.278 1.00 0.00 N ATOM 0 H ARG A 72 10.466 14.588 9.958 1.00 0.00 H new ATOM 0 HA ARG A 72 11.828 17.084 10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.959 14.288 10.475 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.611 15.787 11.105 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.973 14.503 11.901 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.438 14.543 12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.312 16.950 13.107 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.026 17.065 11.922 1.00 0.00 H new ATOM 0 HE ARG A 72 10.233 15.329 14.093 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.769 18.722 13.275 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.571 19.311 14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.680 16.087 15.554 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.392 17.822 15.719 1.00 0.00 H new ATOM 1179 N GLU A 73 12.562 15.028 7.649 1.00 0.00 N ATOM 1180 CA GLU A 73 13.281 14.858 6.395 1.00 0.00 C ATOM 1181 C GLU A 73 13.017 16.035 5.465 1.00 0.00 C ATOM 1182 O GLU A 73 13.943 16.707 5.025 1.00 0.00 O ATOM 1183 CB GLU A 73 12.836 13.563 5.708 1.00 0.00 C ATOM 1184 CG GLU A 73 13.745 13.099 4.582 1.00 0.00 C ATOM 1185 CD GLU A 73 15.032 12.487 5.091 1.00 0.00 C ATOM 1186 OE1 GLU A 73 15.032 11.278 5.414 1.00 0.00 O ATOM 1187 OE2 GLU A 73 16.051 13.196 5.167 1.00 0.00 O1- ATOM 0 H GLU A 73 11.871 14.300 7.831 1.00 0.00 H new ATOM 0 HA GLU A 73 14.347 14.809 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.774 12.773 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.831 13.705 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.216 12.368 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.979 13.945 3.936 1.00 0.00 H new ATOM 1194 N MET A 74 11.741 16.296 5.198 1.00 0.00 N ATOM 1195 CA MET A 74 11.354 17.304 4.214 1.00 0.00 C ATOM 1196 C MET A 74 11.573 18.724 4.724 1.00 0.00 C ATOM 1197 O MET A 74 11.525 19.681 3.946 1.00 0.00 O ATOM 1198 CB MET A 74 9.892 17.121 3.800 1.00 0.00 C ATOM 1199 CG MET A 74 9.637 15.836 3.031 1.00 0.00 C ATOM 1200 SD MET A 74 10.699 15.666 1.580 1.00 0.00 S ATOM 1201 CE MET A 74 10.255 17.126 0.641 1.00 0.00 C ATOM 0 H MET A 74 10.957 15.824 5.649 1.00 0.00 H new ATOM 0 HA MET A 74 11.997 17.161 3.346 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.266 17.132 4.692 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.587 17.969 3.187 1.00 0.00 H new ATOM 0 HG2 MET A 74 9.795 14.984 3.693 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.594 15.807 2.717 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.738 17.091 -0.336 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.173 17.159 0.510 1.00 0.00 H new ATOM 0 HE3 MET A 74 10.583 18.017 1.177 1.00 0.00 H new ATOM 1211 N LYS A 75 11.806 18.872 6.024 1.00 0.00 N ATOM 1212 CA LYS A 75 12.092 20.184 6.591 1.00 0.00 C ATOM 1213 C LYS A 75 13.468 20.676 6.164 1.00 0.00 C ATOM 1214 O LYS A 75 13.701 21.879 6.072 1.00 0.00 O ATOM 1215 CB LYS A 75 11.972 20.167 8.117 1.00 0.00 C ATOM 1216 CG LYS A 75 10.532 20.138 8.600 1.00 0.00 C ATOM 1217 CD LYS A 75 9.740 21.297 8.018 1.00 0.00 C ATOM 1218 CE LYS A 75 8.254 21.155 8.284 1.00 0.00 C ATOM 1219 NZ LYS A 75 7.468 22.216 7.598 1.00 0.00 N1+ ATOM 0 H LYS A 75 11.803 18.107 6.699 1.00 0.00 H new ATOM 0 HA LYS A 75 11.348 20.880 6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.498 19.296 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.468 21.048 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.067 19.195 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.509 20.187 9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.098 22.233 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.913 21.352 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.916 20.176 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.070 21.203 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.457 22.086 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.773 23.150 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.624 22.155 6.572 1.00 0.00 H new ATOM 1233 N THR A 76 14.371 19.748 5.888 1.00 0.00 N ATOM 1234 CA THR A 76 15.690 20.112 5.399 1.00 0.00 C ATOM 1235 C THR A 76 15.903 19.601 3.971 1.00 0.00 C ATOM 1236 O THR A 76 16.295 20.372 3.102 1.00 0.00 O ATOM 1237 CB THR A 76 16.811 19.607 6.343 1.00 0.00 C ATOM 1238 OG1 THR A 76 18.100 19.912 5.795 1.00 0.00 O ATOM 1239 CG2 THR A 76 16.702 18.111 6.602 1.00 0.00 C ATOM 0 H THR A 76 14.216 18.745 5.993 1.00 0.00 H new ATOM 0 HA THR A 76 15.744 21.201 5.383 1.00 0.00 H new ATOM 0 HB THR A 76 16.690 20.122 7.296 1.00 0.00 H new ATOM 0 HG1 THR A 76 18.798 19.589 6.402 1.00 0.00 H new ATOM 0 HG21 THR A 76 17.506 17.798 7.268 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.740 17.891 7.066 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.782 17.572 5.658 1.00 0.00 H new ATOM 1247 N TYR A 77 15.549 18.332 3.738 1.00 0.00 N ATOM 1248 CA TYR A 77 15.747 17.636 2.458 1.00 0.00 C ATOM 1249 C TYR A 77 17.133 17.876 1.846 1.00 0.00 C ATOM 1250 O TYR A 77 17.459 18.969 1.376 1.00 0.00 O ATOM 1251 CB TYR A 77 14.644 18.024 1.471 1.00 0.00 C ATOM 1252 CG TYR A 77 14.793 17.405 0.093 1.00 0.00 C ATOM 1253 CD1 TYR A 77 15.576 18.016 -0.876 1.00 0.00 C ATOM 1254 CD2 TYR A 77 14.144 16.219 -0.244 1.00 0.00 C ATOM 1255 CE1 TYR A 77 15.714 17.472 -2.133 1.00 0.00 C ATOM 1256 CE2 TYR A 77 14.281 15.668 -1.504 1.00 0.00 C ATOM 1257 CZ TYR A 77 15.065 16.301 -2.445 1.00 0.00 C ATOM 1258 OH TYR A 77 15.204 15.762 -3.701 1.00 0.00 O ATOM 0 H TYR A 77 15.108 17.747 4.447 1.00 0.00 H new ATOM 0 HA TYR A 77 15.689 16.568 2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 77 13.680 17.729 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.629 19.109 1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 77 16.088 18.937 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.525 15.723 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.330 17.963 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 77 13.776 14.746 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 77 16.083 15.999 -4.063 1.00 0.00 H new ATOM 1268 N ILE A 78 17.930 16.822 1.818 1.00 0.00 N ATOM 1269 CA ILE A 78 19.275 16.895 1.273 1.00 0.00 C ATOM 1270 C ILE A 78 19.285 16.389 -0.165 1.00 0.00 C ATOM 1271 O ILE A 78 19.065 15.203 -0.416 1.00 0.00 O ATOM 1272 CB ILE A 78 20.297 16.073 2.107 1.00 0.00 C ATOM 1273 CG1 ILE A 78 20.412 16.613 3.541 1.00 0.00 C ATOM 1274 CG2 ILE A 78 21.665 16.085 1.438 1.00 0.00 C ATOM 1275 CD1 ILE A 78 19.276 16.204 4.457 1.00 0.00 C ATOM 0 H ILE A 78 17.667 15.901 2.168 1.00 0.00 H new ATOM 0 HA ILE A 78 19.576 17.942 1.309 1.00 0.00 H new ATOM 0 HB ILE A 78 19.932 15.047 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 78 21.352 16.268 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 78 20.459 17.701 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 78 22.368 15.505 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 78 21.587 15.647 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 78 22.021 17.112 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.437 16.628 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.333 16.572 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.240 15.117 4.529 1.00 0.00 H new ATOM 1287 N PRO A 79 19.503 17.291 -1.131 1.00 0.00 N ATOM 1288 CA PRO A 79 19.598 16.928 -2.535 1.00 0.00 C ATOM 1289 C PRO A 79 21.020 16.543 -2.937 1.00 0.00 C ATOM 1290 O PRO A 79 21.930 17.379 -2.925 1.00 0.00 O ATOM 1291 CB PRO A 79 19.167 18.206 -3.250 1.00 0.00 C ATOM 1292 CG PRO A 79 19.519 19.325 -2.320 1.00 0.00 C ATOM 1293 CD PRO A 79 19.654 18.741 -0.931 1.00 0.00 C ATOM 0 HA PRO A 79 18.989 16.057 -2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 79 19.681 18.313 -4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.098 18.195 -3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 79 20.451 19.800 -2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 79 18.748 20.095 -2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 79 20.621 18.983 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.890 19.132 -0.259 1.00 0.00 H new ATOM 1301 N PRO A 80 21.234 15.266 -3.283 1.00 0.00 N ATOM 1302 CA PRO A 80 22.535 14.778 -3.734 1.00 0.00 C ATOM 1303 C PRO A 80 22.822 15.181 -5.177 1.00 0.00 C ATOM 1304 O PRO A 80 21.933 15.669 -5.881 1.00 0.00 O ATOM 1305 CB PRO A 80 22.398 13.261 -3.615 1.00 0.00 C ATOM 1306 CG PRO A 80 20.945 12.996 -3.807 1.00 0.00 C ATOM 1307 CD PRO A 80 20.218 14.196 -3.256 1.00 0.00 C ATOM 0 HA PRO A 80 23.360 15.189 -3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 80 22.997 12.749 -4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 80 22.740 12.908 -2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 80 20.713 12.852 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 80 20.644 12.087 -3.287 1.00 0.00 H new ATOM 0 HD2 PRO A 80 19.351 14.452 -3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 80 19.855 14.014 -2.244 1.00 0.00 H new ATOM 1315 N LYS A 81 24.058 14.988 -5.617 1.00 0.00 N ATOM 1316 CA LYS A 81 24.426 15.304 -6.989 1.00 0.00 C ATOM 1317 C LYS A 81 23.925 14.231 -7.950 1.00 0.00 C ATOM 1318 O LYS A 81 24.677 13.369 -8.405 1.00 0.00 O ATOM 1319 CB LYS A 81 25.939 15.501 -7.130 1.00 0.00 C ATOM 1320 CG LYS A 81 26.453 16.758 -6.438 1.00 0.00 C ATOM 1321 CD LYS A 81 25.842 18.021 -7.035 1.00 0.00 C ATOM 1322 CE LYS A 81 26.260 18.217 -8.485 1.00 0.00 C ATOM 1323 NZ LYS A 81 25.629 19.419 -9.098 1.00 0.00 N1+ ATOM 0 H LYS A 81 24.818 14.616 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 81 23.943 16.246 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 81 26.451 14.632 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 81 26.195 15.548 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 81 26.220 16.709 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 81 27.539 16.803 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 81 24.755 17.963 -6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.149 18.886 -6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.345 18.312 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 81 25.988 17.333 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 26.155 19.689 -9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 24.644 19.203 -9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 25.647 20.205 -8.418 1.00 0.00 H new ATOM 1337 N GLY A 82 22.630 14.277 -8.208 1.00 0.00 N ATOM 1338 CA GLY A 82 22.011 13.411 -9.186 1.00 0.00 C ATOM 1339 C GLY A 82 20.892 14.143 -9.884 1.00 0.00 C ATOM 1340 O GLY A 82 19.765 13.665 -9.960 1.00 0.00 O ATOM 0 H GLY A 82 21.983 14.915 -7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 82 22.752 13.082 -9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 82 21.624 12.516 -8.699 1.00 0.00 H new ATOM 1344 N GLU A 83 21.223 15.324 -10.381 1.00 0.00 N ATOM 1345 CA GLU A 83 20.237 16.248 -10.925 1.00 0.00 C ATOM 1346 C GLU A 83 19.993 15.985 -12.408 1.00 0.00 C ATOM 1347 O GLU A 83 20.519 15.024 -12.975 1.00 0.00 O ATOM 1348 CB GLU A 83 20.730 17.678 -10.717 1.00 0.00 C ATOM 1349 CG GLU A 83 21.109 17.974 -9.272 1.00 0.00 C ATOM 1350 CD GLU A 83 21.866 19.276 -9.116 1.00 0.00 C ATOM 1351 OE1 GLU A 83 23.034 19.345 -9.554 1.00 0.00 O1- ATOM 1352 OE2 GLU A 83 21.300 20.239 -8.564 1.00 0.00 O ATOM 0 H GLU A 83 22.182 15.670 -10.419 1.00 0.00 H new ATOM 0 HA GLU A 83 19.291 16.102 -10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.595 17.855 -11.357 1.00 0.00 H new ATOM 0 HB3 GLU A 83 19.952 18.374 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.205 18.010 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.719 17.157 -8.887 1.00 0.00 H new TER 1359 GLU A 83 ATOM 1360 N LEU B 14 -7.171 -7.024 -48.566 1.00 0.00 N ATOM 1361 CA LEU B 14 -6.044 -7.737 -47.982 1.00 0.00 C ATOM 1362 C LEU B 14 -5.803 -9.045 -48.723 1.00 0.00 C ATOM 1363 O LEU B 14 -6.663 -9.928 -48.744 1.00 0.00 O ATOM 1364 CB LEU B 14 -6.286 -8.005 -46.492 1.00 0.00 C ATOM 1365 CG LEU B 14 -6.375 -6.756 -45.610 1.00 0.00 C ATOM 1366 CD1 LEU B 14 -6.684 -7.143 -44.171 1.00 0.00 C ATOM 1367 CD2 LEU B 14 -5.081 -5.955 -45.682 1.00 0.00 C ATOM 0 HA LEU B 14 -5.156 -7.112 -48.078 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -7.212 -8.571 -46.387 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -5.481 -8.638 -46.118 1.00 0.00 H new ATOM 0 HG LEU B 14 -7.186 -6.130 -45.981 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -6.744 -6.244 -43.557 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -7.636 -7.672 -44.133 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -5.894 -7.790 -43.791 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.164 -5.072 -45.049 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -4.251 -6.572 -45.337 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -4.900 -5.647 -46.712 1.00 0.00 H new ATOM 1379 N SER B 15 -4.636 -9.156 -49.336 1.00 0.00 N ATOM 1380 CA SER B 15 -4.283 -10.335 -50.110 1.00 0.00 C ATOM 1381 C SER B 15 -3.822 -11.460 -49.186 1.00 0.00 C ATOM 1382 O SER B 15 -3.782 -12.629 -49.576 1.00 0.00 O ATOM 1383 CB SER B 15 -3.179 -9.980 -51.112 1.00 0.00 C ATOM 1384 OG SER B 15 -3.025 -10.985 -52.101 1.00 0.00 O ATOM 0 H SER B 15 -3.912 -8.438 -49.312 1.00 0.00 H new ATOM 0 HA SER B 15 -5.162 -10.680 -50.655 1.00 0.00 H new ATOM 0 HB2 SER B 15 -3.415 -9.030 -51.592 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.236 -9.844 -50.582 1.00 0.00 H new ATOM 0 HG SER B 15 -2.314 -10.725 -52.724 1.00 0.00 H new ATOM 1390 N GLN B 16 -3.483 -11.103 -47.954 1.00 0.00 N ATOM 1391 CA GLN B 16 -3.006 -12.077 -46.990 1.00 0.00 C ATOM 1392 C GLN B 16 -3.777 -11.945 -45.682 1.00 0.00 C ATOM 1393 O GLN B 16 -3.895 -10.851 -45.127 1.00 0.00 O ATOM 1394 CB GLN B 16 -1.505 -11.891 -46.758 1.00 0.00 C ATOM 1395 CG GLN B 16 -0.831 -13.087 -46.112 1.00 0.00 C ATOM 1396 CD GLN B 16 -0.916 -14.341 -46.964 1.00 0.00 C ATOM 1397 OE1 GLN B 16 -0.968 -14.272 -48.193 1.00 0.00 O ATOM 1398 NE2 GLN B 16 -0.932 -15.496 -46.316 1.00 0.00 N ATOM 0 H GLN B 16 -3.531 -10.147 -47.602 1.00 0.00 H new ATOM 0 HA GLN B 16 -3.173 -13.080 -47.384 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -1.022 -11.686 -47.713 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.350 -11.015 -46.128 1.00 0.00 H new ATOM 0 HG2 GLN B 16 0.216 -12.851 -45.925 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -1.293 -13.279 -45.143 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -0.887 -15.510 -45.297 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -0.989 -16.372 -46.836 1.00 0.00 H new ATOM 1407 N GLU B 17 -4.306 -13.063 -45.201 1.00 0.00 N ATOM 1408 CA GLU B 17 -5.135 -13.076 -43.996 1.00 0.00 C ATOM 1409 C GLU B 17 -4.323 -12.802 -42.729 1.00 0.00 C ATOM 1410 O GLU B 17 -4.896 -12.578 -41.662 1.00 0.00 O ATOM 1411 CB GLU B 17 -5.837 -14.425 -43.859 1.00 0.00 C ATOM 1412 CG GLU B 17 -4.878 -15.602 -43.816 1.00 0.00 C ATOM 1413 CD GLU B 17 -5.546 -16.884 -43.383 1.00 0.00 C ATOM 1414 OE1 GLU B 17 -6.160 -17.561 -44.234 1.00 0.00 O ATOM 1415 OE2 GLU B 17 -5.451 -17.231 -42.185 1.00 0.00 O1- ATOM 0 H GLU B 17 -4.176 -13.980 -45.628 1.00 0.00 H new ATOM 0 HA GLU B 17 -5.868 -12.277 -44.104 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -6.439 -14.423 -42.950 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -6.524 -14.556 -44.695 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -4.438 -15.742 -44.803 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -4.061 -15.374 -43.132 1.00 0.00 H new ATOM 1422 N THR B 18 -2.997 -12.814 -42.848 1.00 0.00 N ATOM 1423 CA THR B 18 -2.116 -12.629 -41.701 1.00 0.00 C ATOM 1424 C THR B 18 -2.413 -11.318 -40.968 1.00 0.00 C ATOM 1425 O THR B 18 -2.316 -11.248 -39.745 1.00 0.00 O ATOM 1426 CB THR B 18 -0.641 -12.634 -42.138 1.00 0.00 C ATOM 1427 OG1 THR B 18 -0.419 -13.684 -43.092 1.00 0.00 O ATOM 1428 CG2 THR B 18 0.278 -12.838 -40.944 1.00 0.00 C ATOM 0 H THR B 18 -2.509 -12.951 -43.733 1.00 0.00 H new ATOM 0 HA THR B 18 -2.300 -13.462 -41.022 1.00 0.00 H new ATOM 0 HB THR B 18 -0.417 -11.668 -42.592 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.521 -13.682 -43.368 1.00 0.00 H new ATOM 0 HG21 THR B 18 1.315 -12.838 -41.279 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.128 -12.031 -40.227 1.00 0.00 H new ATOM 0 HG23 THR B 18 0.051 -13.792 -40.469 1.00 0.00 H new ATOM 1436 N PHE B 19 -2.805 -10.295 -41.718 1.00 0.00 N ATOM 1437 CA PHE B 19 -3.064 -8.980 -41.140 1.00 0.00 C ATOM 1438 C PHE B 19 -4.299 -9.008 -40.243 1.00 0.00 C ATOM 1439 O PHE B 19 -4.374 -8.290 -39.249 1.00 0.00 O ATOM 1440 CB PHE B 19 -3.220 -7.937 -42.248 1.00 0.00 C ATOM 1441 CG PHE B 19 -2.006 -7.831 -43.126 1.00 0.00 C ATOM 1442 CD1 PHE B 19 -0.915 -7.075 -42.732 1.00 0.00 C ATOM 1443 CD2 PHE B 19 -1.952 -8.496 -44.340 1.00 0.00 C ATOM 1444 CE1 PHE B 19 0.209 -6.984 -43.531 1.00 0.00 C ATOM 1445 CE2 PHE B 19 -0.833 -8.408 -45.145 1.00 0.00 C ATOM 1446 CZ PHE B 19 0.249 -7.652 -44.740 1.00 0.00 C ATOM 0 H PHE B 19 -2.951 -10.349 -42.726 1.00 0.00 H new ATOM 0 HA PHE B 19 -2.211 -8.704 -40.520 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -4.084 -8.192 -42.861 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -3.423 -6.965 -41.799 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -0.943 -6.550 -41.789 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -2.795 -9.090 -44.661 1.00 0.00 H new ATOM 0 HE1 PHE B 19 1.054 -6.392 -43.211 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -0.804 -8.930 -46.090 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.125 -7.583 -45.367 1.00 0.00 H new ATOM 1456 N SER B 20 -5.247 -9.867 -40.580 1.00 0.00 N ATOM 1457 CA SER B 20 -6.454 -10.030 -39.784 1.00 0.00 C ATOM 1458 C SER B 20 -6.210 -11.037 -38.666 1.00 0.00 C ATOM 1459 O SER B 20 -7.081 -11.300 -37.840 1.00 0.00 O ATOM 1460 CB SER B 20 -7.588 -10.510 -40.680 1.00 0.00 C ATOM 1461 OG SER B 20 -7.641 -9.741 -41.874 1.00 0.00 O ATOM 0 H SER B 20 -5.204 -10.466 -41.405 1.00 0.00 H new ATOM 0 HA SER B 20 -6.725 -9.073 -39.339 1.00 0.00 H new ATOM 0 HB2 SER B 20 -7.445 -11.562 -40.925 1.00 0.00 H new ATOM 0 HB3 SER B 20 -8.537 -10.432 -40.149 1.00 0.00 H new ATOM 0 HG SER B 20 -8.374 -10.064 -42.439 1.00 0.00 H new ATOM 1467 N ASP B 21 -5.015 -11.604 -38.662 1.00 0.00 N ATOM 1468 CA ASP B 21 -4.634 -12.604 -37.681 1.00 0.00 C ATOM 1469 C ASP B 21 -3.772 -11.962 -36.594 1.00 0.00 C ATOM 1470 O ASP B 21 -3.515 -12.552 -35.545 1.00 0.00 O ATOM 1471 CB ASP B 21 -3.866 -13.726 -38.385 1.00 0.00 C ATOM 1472 CG ASP B 21 -3.674 -14.950 -37.522 1.00 0.00 C ATOM 1473 OD1 ASP B 21 -4.619 -15.761 -37.424 1.00 0.00 O ATOM 1474 OD2 ASP B 21 -2.574 -15.129 -36.968 1.00 0.00 O1- ATOM 0 H ASP B 21 -4.283 -11.384 -39.338 1.00 0.00 H new ATOM 0 HA ASP B 21 -5.524 -13.021 -37.210 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -4.400 -14.009 -39.292 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -2.890 -13.351 -38.694 1.00 0.00 H new ATOM 1479 N LEU B 22 -3.351 -10.730 -36.855 1.00 0.00 N ATOM 1480 CA LEU B 22 -2.413 -10.019 -35.987 1.00 0.00 C ATOM 1481 C LEU B 22 -3.016 -9.693 -34.621 1.00 0.00 C ATOM 1482 O LEU B 22 -2.365 -9.870 -33.592 1.00 0.00 O ATOM 1483 CB LEU B 22 -1.959 -8.726 -36.665 1.00 0.00 C ATOM 1484 CG LEU B 22 -1.260 -8.909 -38.013 1.00 0.00 C ATOM 1485 CD1 LEU B 22 -0.951 -7.560 -38.636 1.00 0.00 C ATOM 1486 CD2 LEU B 22 0.011 -9.727 -37.846 1.00 0.00 C ATOM 0 H LEU B 22 -3.648 -10.195 -37.671 1.00 0.00 H new ATOM 0 HA LEU B 22 -1.561 -10.679 -35.822 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -2.829 -8.085 -36.809 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.283 -8.199 -35.992 1.00 0.00 H new ATOM 0 HG LEU B 22 -1.930 -9.450 -38.681 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -0.454 -7.707 -39.595 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -1.879 -7.009 -38.789 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -0.298 -6.993 -37.972 1.00 0.00 H new ATOM 0 HD21 LEU B 22 0.496 -9.848 -38.815 1.00 0.00 H new ATOM 0 HD22 LEU B 22 0.687 -9.213 -37.163 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -0.238 -10.708 -37.440 1.00 0.00 H new ATOM 1498 N TRP B 23 -4.265 -9.240 -34.615 1.00 0.00 N ATOM 1499 CA TRP B 23 -4.908 -8.756 -33.392 1.00 0.00 C ATOM 1500 C TRP B 23 -5.352 -9.908 -32.488 1.00 0.00 C ATOM 1501 O TRP B 23 -5.875 -9.684 -31.398 1.00 0.00 O ATOM 1502 CB TRP B 23 -6.117 -7.877 -33.737 1.00 0.00 C ATOM 1503 CG TRP B 23 -7.232 -8.634 -34.391 1.00 0.00 C ATOM 1504 CD1 TRP B 23 -7.328 -8.979 -35.707 1.00 0.00 C ATOM 1505 CD2 TRP B 23 -8.413 -9.137 -33.754 1.00 0.00 C ATOM 1506 NE1 TRP B 23 -8.490 -9.678 -35.925 1.00 0.00 N ATOM 1507 CE2 TRP B 23 -9.175 -9.785 -34.743 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -8.896 -9.104 -32.441 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 -10.393 -10.397 -34.458 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -10.105 -9.713 -32.163 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -10.841 -10.350 -33.166 1.00 0.00 C ATOM 0 H TRP B 23 -4.857 -9.197 -35.445 1.00 0.00 H new ATOM 0 HA TRP B 23 -4.169 -8.166 -32.849 1.00 0.00 H new ATOM 0 HB2 TRP B 23 -6.490 -7.410 -32.825 1.00 0.00 H new ATOM 0 HB3 TRP B 23 -5.796 -7.073 -34.399 1.00 0.00 H new ATOM 0 HD1 TRP B 23 -6.598 -8.738 -36.466 1.00 0.00 H new ATOM 0 HE1 TRP B 23 -8.794 -10.056 -36.822 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -8.335 -8.612 -31.660 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 -10.964 -10.891 -35.230 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -10.488 -9.696 -31.153 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -11.783 -10.815 -32.916 1.00 0.00 H new ATOM 1522 N LYS B 24 -5.111 -11.137 -32.929 1.00 0.00 N ATOM 1523 CA LYS B 24 -5.558 -12.324 -32.204 1.00 0.00 C ATOM 1524 C LYS B 24 -4.666 -12.614 -30.992 1.00 0.00 C ATOM 1525 O LYS B 24 -4.559 -13.756 -30.541 1.00 0.00 O ATOM 1526 CB LYS B 24 -5.587 -13.530 -33.145 1.00 0.00 C ATOM 1527 CG LYS B 24 -6.614 -13.401 -34.263 1.00 0.00 C ATOM 1528 CD LYS B 24 -6.543 -14.580 -35.217 1.00 0.00 C ATOM 1529 CE LYS B 24 -7.582 -14.483 -36.318 1.00 0.00 C ATOM 1530 NZ LYS B 24 -7.486 -15.635 -37.253 1.00 0.00 N1+ ATOM 0 H LYS B 24 -4.605 -11.340 -33.791 1.00 0.00 H new ATOM 0 HA LYS B 24 -6.565 -12.133 -31.833 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -4.598 -13.663 -33.584 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -5.802 -14.428 -32.566 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -7.614 -13.337 -33.835 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -6.442 -12.475 -34.812 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -5.548 -14.628 -35.660 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -6.689 -15.506 -34.661 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -8.579 -14.450 -35.879 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -7.446 -13.552 -36.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -7.962 -15.397 -38.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -6.485 -15.848 -37.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -7.944 -16.466 -36.828 1.00 0.00 H new ATOM 1544 N LEU B 25 -4.033 -11.572 -30.464 1.00 0.00 N ATOM 1545 CA LEU B 25 -3.220 -11.691 -29.262 1.00 0.00 C ATOM 1546 C LEU B 25 -4.115 -11.805 -28.033 1.00 0.00 C ATOM 1547 O LEU B 25 -3.680 -12.248 -26.972 1.00 0.00 O ATOM 1548 CB LEU B 25 -2.283 -10.488 -29.126 1.00 0.00 C ATOM 1549 CG LEU B 25 -1.298 -10.298 -30.281 1.00 0.00 C ATOM 1550 CD1 LEU B 25 -0.425 -9.079 -30.037 1.00 0.00 C ATOM 1551 CD2 LEU B 25 -0.439 -11.543 -30.465 1.00 0.00 C ATOM 0 H LEU B 25 -4.069 -10.630 -30.854 1.00 0.00 H new ATOM 0 HA LEU B 25 -2.613 -12.593 -29.341 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -2.887 -9.586 -29.032 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -1.717 -10.591 -28.200 1.00 0.00 H new ATOM 0 HG LEU B 25 -1.868 -10.138 -31.196 1.00 0.00 H new ATOM 0 HD11 LEU B 25 0.270 -8.957 -30.867 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.053 -8.192 -29.957 1.00 0.00 H new ATOM 0 HD13 LEU B 25 0.135 -9.212 -29.111 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.255 -11.388 -31.291 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.123 -11.736 -29.551 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.079 -12.397 -30.685 1.00 0.00 H new ATOM 1563 N LEU B 26 -5.369 -11.395 -28.188 1.00 0.00 N ATOM 1564 CA LEU B 26 -6.358 -11.541 -27.134 1.00 0.00 C ATOM 1565 C LEU B 26 -7.283 -12.715 -27.443 1.00 0.00 C ATOM 1566 O LEU B 26 -7.813 -12.827 -28.549 1.00 0.00 O ATOM 1567 CB LEU B 26 -7.144 -10.233 -26.939 1.00 0.00 C ATOM 1568 CG LEU B 26 -7.635 -9.533 -28.216 1.00 0.00 C ATOM 1569 CD1 LEU B 26 -8.995 -10.062 -28.651 1.00 0.00 C ATOM 1570 CD2 LEU B 26 -7.691 -8.026 -28.006 1.00 0.00 C ATOM 0 H LEU B 26 -5.723 -10.957 -29.039 1.00 0.00 H new ATOM 0 HA LEU B 26 -5.847 -11.754 -26.195 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.010 -10.445 -26.312 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -6.514 -9.535 -26.388 1.00 0.00 H new ATOM 0 HG LEU B 26 -6.923 -9.751 -29.012 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -9.313 -9.546 -29.557 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.923 -11.132 -28.849 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.723 -9.888 -27.859 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -8.040 -7.544 -28.919 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -8.377 -7.798 -27.190 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -6.696 -7.656 -27.758 1.00 0.00 H new ATOM 1582 N PRO B 27 -7.453 -13.636 -26.489 1.00 0.00 N ATOM 1583 CA PRO B 27 -8.260 -14.833 -26.688 1.00 0.00 C ATOM 1584 C PRO B 27 -9.759 -14.568 -26.563 1.00 0.00 C ATOM 1585 O PRO B 27 -10.307 -14.563 -25.456 1.00 0.00 O ATOM 1586 CB PRO B 27 -7.790 -15.780 -25.570 1.00 0.00 C ATOM 1587 CG PRO B 27 -6.656 -15.081 -24.888 1.00 0.00 C ATOM 1588 CD PRO B 27 -6.852 -13.619 -25.155 1.00 0.00 C ATOM 0 HA PRO B 27 -8.130 -15.236 -27.692 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -8.598 -15.988 -24.869 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -7.469 -16.738 -25.979 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -6.658 -15.286 -23.817 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -5.697 -15.423 -25.276 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -7.506 -13.153 -24.418 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -5.910 -13.070 -25.138 1.00 0.00 H new ATOM 1596 N GLU B 28 -10.398 -14.322 -27.709 1.00 0.00 N ATOM 1597 CA GLU B 28 -11.857 -14.246 -27.808 1.00 0.00 C ATOM 1598 C GLU B 28 -12.281 -13.941 -29.244 1.00 0.00 C ATOM 1599 O GLU B 28 -11.472 -14.027 -30.170 1.00 0.00 O ATOM 1600 CB GLU B 28 -12.450 -13.216 -26.850 1.00 0.00 C ATOM 1601 CG GLU B 28 -12.049 -11.783 -27.131 1.00 0.00 C ATOM 1602 CD GLU B 28 -12.924 -10.827 -26.363 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -14.120 -10.737 -26.696 1.00 0.00 O1- ATOM 1604 OE2 GLU B 28 -12.437 -10.193 -25.404 1.00 0.00 O ATOM 0 H GLU B 28 -9.917 -14.170 -28.596 1.00 0.00 H new ATOM 0 HA GLU B 28 -12.249 -15.221 -27.518 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -13.537 -13.289 -26.888 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -12.149 -13.470 -25.834 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -11.006 -11.631 -26.855 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -12.129 -11.580 -28.199 1.00 0.00 H new ATOM 1611 N ASN B 29 -13.543 -13.568 -29.426 1.00 0.00 N ATOM 1612 CA ASN B 29 -14.124 -13.478 -30.760 1.00 0.00 C ATOM 1613 C ASN B 29 -14.240 -12.041 -31.287 1.00 0.00 C ATOM 1614 O ASN B 29 -13.606 -11.699 -32.283 1.00 0.00 O ATOM 1615 CB ASN B 29 -15.494 -14.172 -30.785 1.00 0.00 C ATOM 1616 CG ASN B 29 -16.506 -13.565 -29.822 1.00 0.00 C ATOM 1617 OD1 ASN B 29 -16.146 -12.973 -28.802 1.00 0.00 O ATOM 1618 ND2 ASN B 29 -17.780 -13.711 -30.141 1.00 0.00 N ATOM 0 H ASN B 29 -14.181 -13.324 -28.669 1.00 0.00 H new ATOM 0 HA ASN B 29 -13.435 -13.990 -31.432 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -15.896 -14.126 -31.797 1.00 0.00 H new ATOM 0 HB3 ASN B 29 -15.362 -15.226 -30.542 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -18.505 -13.327 -29.534 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -18.039 -14.207 -30.994 1.00 0.00 H new ATOM 1625 N ASN B 30 -15.036 -11.200 -30.634 1.00 0.00 N ATOM 1626 CA ASN B 30 -15.379 -9.892 -31.199 1.00 0.00 C ATOM 1627 C ASN B 30 -15.049 -8.762 -30.227 1.00 0.00 C ATOM 1628 O ASN B 30 -15.499 -7.626 -30.398 1.00 0.00 O ATOM 1629 CB ASN B 30 -16.872 -9.863 -31.559 1.00 0.00 C ATOM 1630 CG ASN B 30 -17.212 -8.851 -32.643 1.00 0.00 C ATOM 1631 OD1 ASN B 30 -17.164 -9.163 -33.836 1.00 0.00 O ATOM 1632 ND2 ASN B 30 -17.574 -7.639 -32.244 1.00 0.00 N ATOM 0 H ASN B 30 -15.453 -11.394 -29.724 1.00 0.00 H new ATOM 0 HA ASN B 30 -14.783 -9.740 -32.099 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -17.178 -10.856 -31.890 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -17.450 -9.633 -30.664 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -17.824 -6.929 -32.932 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -17.602 -7.417 -31.249 1.00 0.00 H new ATOM 1639 N VAL B 31 -14.245 -9.079 -29.222 1.00 0.00 N ATOM 1640 CA VAL B 31 -13.853 -8.116 -28.196 1.00 0.00 C ATOM 1641 C VAL B 31 -15.067 -7.681 -27.373 1.00 0.00 C ATOM 1642 O VAL B 31 -15.691 -6.650 -27.632 1.00 0.00 O ATOM 1643 CB VAL B 31 -13.134 -6.876 -28.777 1.00 0.00 C ATOM 1644 CG1 VAL B 31 -12.646 -5.960 -27.662 1.00 0.00 C ATOM 1645 CG2 VAL B 31 -11.972 -7.299 -29.664 1.00 0.00 C ATOM 0 H VAL B 31 -13.845 -10.008 -29.093 1.00 0.00 H new ATOM 0 HA VAL B 31 -13.139 -8.627 -27.550 1.00 0.00 H new ATOM 0 HB VAL B 31 -13.850 -6.322 -29.384 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -12.144 -5.095 -28.095 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -13.496 -5.626 -27.067 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -11.948 -6.503 -27.024 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -11.478 -6.413 -30.064 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -11.259 -7.879 -29.078 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -12.345 -7.909 -30.487 1.00 0.00 H new ATOM 1655 N LEU B 32 -15.414 -8.520 -26.418 1.00 0.00 N ATOM 1656 CA LEU B 32 -16.485 -8.249 -25.475 1.00 0.00 C ATOM 1657 C LEU B 32 -15.903 -8.240 -24.070 1.00 0.00 C ATOM 1658 O LEU B 32 -16.544 -8.667 -23.109 1.00 0.00 O ATOM 1659 CB LEU B 32 -17.573 -9.325 -25.583 1.00 0.00 C ATOM 1660 CG LEU B 32 -18.269 -9.427 -26.943 1.00 0.00 C ATOM 1661 CD1 LEU B 32 -19.211 -10.621 -26.967 1.00 0.00 C ATOM 1662 CD2 LEU B 32 -19.033 -8.150 -27.246 1.00 0.00 C ATOM 0 H LEU B 32 -14.956 -9.420 -26.272 1.00 0.00 H new ATOM 0 HA LEU B 32 -16.935 -7.282 -25.699 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -17.127 -10.292 -25.350 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -18.329 -9.130 -24.822 1.00 0.00 H new ATOM 0 HG LEU B 32 -17.508 -9.567 -27.710 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -19.698 -10.680 -27.940 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -18.645 -11.535 -26.788 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -19.966 -10.504 -26.190 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -19.522 -8.240 -28.216 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -19.785 -7.984 -26.475 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -18.341 -7.308 -27.265 1.00 0.00 H new ATOM 1674 N SER B 33 -14.677 -7.738 -23.975 1.00 0.00 N ATOM 1675 CA SER B 33 -13.910 -7.774 -22.739 1.00 0.00 C ATOM 1676 C SER B 33 -14.635 -7.048 -21.605 1.00 0.00 C ATOM 1677 O SER B 33 -15.052 -5.895 -21.752 1.00 0.00 O ATOM 1678 CB SER B 33 -12.534 -7.152 -22.975 1.00 0.00 C ATOM 1679 OG SER B 33 -11.889 -7.757 -24.086 1.00 0.00 O ATOM 0 H SER B 33 -14.188 -7.295 -24.753 1.00 0.00 H new ATOM 0 HA SER B 33 -13.794 -8.815 -22.438 1.00 0.00 H new ATOM 0 HB2 SER B 33 -12.639 -6.081 -23.149 1.00 0.00 H new ATOM 0 HB3 SER B 33 -11.919 -7.271 -22.083 1.00 0.00 H new ATOM 0 HG SER B 33 -12.318 -8.615 -24.286 1.00 0.00 H new ATOM 1685 N PRO B 34 -14.793 -7.728 -20.457 1.00 0.00 N ATOM 1686 CA PRO B 34 -15.457 -7.168 -19.280 1.00 0.00 C ATOM 1687 C PRO B 34 -14.560 -6.196 -18.517 1.00 0.00 C ATOM 1688 O PRO B 34 -13.468 -5.855 -18.979 1.00 0.00 O ATOM 1689 CB PRO B 34 -15.753 -8.403 -18.430 1.00 0.00 C ATOM 1690 CG PRO B 34 -14.671 -9.364 -18.777 1.00 0.00 C ATOM 1691 CD PRO B 34 -14.332 -9.111 -20.222 1.00 0.00 C ATOM 0 HA PRO B 34 -16.342 -6.589 -19.542 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -15.745 -8.164 -17.367 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -16.737 -8.814 -18.657 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -13.799 -9.215 -18.141 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -15.001 -10.392 -18.629 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -13.262 -9.212 -20.405 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -14.837 -9.818 -20.881 1.00 0.00 H new ATOM 1699 N LEU B 35 -15.033 -5.750 -17.355 1.00 0.00 N ATOM 1700 CA LEU B 35 -14.264 -4.852 -16.497 1.00 0.00 C ATOM 1701 C LEU B 35 -12.898 -5.459 -16.174 1.00 0.00 C ATOM 1702 O LEU B 35 -12.817 -6.557 -15.617 1.00 0.00 O ATOM 1703 CB LEU B 35 -15.034 -4.577 -15.201 1.00 0.00 C ATOM 1704 CG LEU B 35 -14.358 -3.612 -14.225 1.00 0.00 C ATOM 1705 CD1 LEU B 35 -14.275 -2.215 -14.818 1.00 0.00 C ATOM 1706 CD2 LEU B 35 -15.108 -3.588 -12.902 1.00 0.00 C ATOM 0 H LEU B 35 -15.951 -5.998 -16.985 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.111 -3.912 -17.027 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -16.015 -4.177 -15.459 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -15.201 -5.525 -14.690 1.00 0.00 H new ATOM 0 HG LEU B 35 -13.342 -3.963 -14.042 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -13.791 -1.546 -14.107 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.695 -2.245 -15.740 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -15.280 -1.851 -15.033 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -14.616 -2.897 -12.217 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -16.134 -3.262 -13.071 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -15.112 -4.588 -12.468 1.00 0.00 H new ATOM 1718 N PRO B 36 -11.810 -4.764 -16.545 1.00 0.00 N ATOM 1719 CA PRO B 36 -10.443 -5.235 -16.306 1.00 0.00 C ATOM 1720 C PRO B 36 -10.169 -5.484 -14.826 1.00 0.00 C ATOM 1721 O PRO B 36 -10.252 -4.570 -14.004 1.00 0.00 O ATOM 1722 CB PRO B 36 -9.570 -4.084 -16.818 1.00 0.00 C ATOM 1723 CG PRO B 36 -10.432 -3.354 -17.783 1.00 0.00 C ATOM 1724 CD PRO B 36 -11.824 -3.464 -17.238 1.00 0.00 C ATOM 0 HA PRO B 36 -10.251 -6.187 -16.801 1.00 0.00 H new ATOM 0 HB2 PRO B 36 -9.252 -3.435 -16.002 1.00 0.00 H new ATOM 0 HB3 PRO B 36 -8.666 -4.457 -17.299 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -10.126 -2.311 -17.872 1.00 0.00 H new ATOM 0 HG3 PRO B 36 -10.365 -3.792 -18.779 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -12.056 -2.646 -16.556 1.00 0.00 H new ATOM 0 HD3 PRO B 36 -12.571 -3.438 -18.032 1.00 0.00 H new ATOM 1732 N SER B 37 -9.820 -6.719 -14.498 1.00 0.00 N ATOM 1733 CA SER B 37 -9.549 -7.104 -13.119 1.00 0.00 C ATOM 1734 C SER B 37 -8.106 -6.741 -12.740 1.00 0.00 C ATOM 1735 O SER B 37 -7.414 -7.494 -12.054 1.00 0.00 O ATOM 1736 CB SER B 37 -9.803 -8.609 -12.953 1.00 0.00 C ATOM 1737 OG SER B 37 -9.738 -9.009 -11.592 1.00 0.00 O ATOM 0 H SER B 37 -9.717 -7.477 -15.173 1.00 0.00 H new ATOM 0 HA SER B 37 -10.215 -6.561 -12.449 1.00 0.00 H new ATOM 0 HB2 SER B 37 -10.783 -8.859 -13.359 1.00 0.00 H new ATOM 0 HB3 SER B 37 -9.067 -9.168 -13.531 1.00 0.00 H new ATOM 0 HG SER B 37 -8.917 -8.659 -11.187 1.00 0.00 H new ATOM 1743 N GLN B 38 -7.669 -5.565 -13.177 1.00 0.00 N ATOM 1744 CA GLN B 38 -6.323 -5.092 -12.885 1.00 0.00 C ATOM 1745 C GLN B 38 -6.220 -4.706 -11.414 1.00 0.00 C ATOM 1746 O GLN B 38 -5.224 -4.998 -10.751 1.00 0.00 O ATOM 1747 CB GLN B 38 -5.975 -3.901 -13.784 1.00 0.00 C ATOM 1748 CG GLN B 38 -4.549 -3.400 -13.614 1.00 0.00 C ATOM 1749 CD GLN B 38 -4.205 -2.278 -14.574 1.00 0.00 C ATOM 1750 OE1 GLN B 38 -4.390 -1.101 -14.267 1.00 0.00 O ATOM 1751 NE2 GLN B 38 -3.714 -2.634 -15.751 1.00 0.00 N ATOM 0 H GLN B 38 -8.229 -4.921 -13.736 1.00 0.00 H new ATOM 0 HA GLN B 38 -5.610 -5.891 -13.086 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -6.128 -4.186 -14.825 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -6.665 -3.084 -13.572 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -4.410 -3.052 -12.590 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -3.857 -4.228 -13.766 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.575 -3.621 -15.968 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -3.475 -1.921 -16.440 1.00 0.00 H new ATOM 1760 N ALA B 39 -7.263 -4.061 -10.910 1.00 0.00 N ATOM 1761 CA ALA B 39 -7.337 -3.726 -9.497 1.00 0.00 C ATOM 1762 C ALA B 39 -7.769 -4.952 -8.703 1.00 0.00 C ATOM 1763 O ALA B 39 -8.958 -5.261 -8.610 1.00 0.00 O ATOM 1764 CB ALA B 39 -8.299 -2.567 -9.266 1.00 0.00 C ATOM 0 H ALA B 39 -8.068 -3.760 -11.459 1.00 0.00 H new ATOM 0 HA ALA B 39 -6.350 -3.412 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -8.339 -2.334 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.954 -1.692 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.294 -2.845 -9.614 1.00 0.00 H new ATOM 1770 N MET B 40 -6.800 -5.664 -8.149 1.00 0.00 N ATOM 1771 CA MET B 40 -7.088 -6.911 -7.458 1.00 0.00 C ATOM 1772 C MET B 40 -6.576 -6.892 -6.024 1.00 0.00 C ATOM 1773 O MET B 40 -7.355 -6.776 -5.078 1.00 0.00 O ATOM 1774 CB MET B 40 -6.509 -8.109 -8.234 1.00 0.00 C ATOM 1775 CG MET B 40 -5.033 -7.979 -8.598 1.00 0.00 C ATOM 1776 SD MET B 40 -4.431 -9.380 -9.566 1.00 0.00 S ATOM 1777 CE MET B 40 -2.723 -8.907 -9.831 1.00 0.00 C ATOM 0 H MET B 40 -5.814 -5.402 -8.164 1.00 0.00 H new ATOM 0 HA MET B 40 -8.172 -7.021 -7.414 1.00 0.00 H new ATOM 0 HB2 MET B 40 -6.644 -9.011 -7.637 1.00 0.00 H new ATOM 0 HB3 MET B 40 -7.085 -8.244 -9.150 1.00 0.00 H new ATOM 0 HG2 MET B 40 -4.882 -7.059 -9.163 1.00 0.00 H new ATOM 0 HG3 MET B 40 -4.444 -7.893 -7.685 1.00 0.00 H new ATOM 0 HE1 MET B 40 -2.219 -9.676 -10.416 1.00 0.00 H new ATOM 0 HE2 MET B 40 -2.687 -7.960 -10.369 1.00 0.00 H new ATOM 0 HE3 MET B 40 -2.223 -8.797 -8.869 1.00 0.00 H new ATOM 1787 N ASP B 41 -5.275 -6.962 -5.877 1.00 0.00 N ATOM 1788 CA ASP B 41 -4.649 -7.036 -4.567 1.00 0.00 C ATOM 1789 C ASP B 41 -3.705 -5.861 -4.365 1.00 0.00 C ATOM 1790 O ASP B 41 -2.934 -5.815 -3.408 1.00 0.00 O ATOM 1791 CB ASP B 41 -3.897 -8.358 -4.412 1.00 0.00 C ATOM 1792 CG ASP B 41 -4.795 -9.565 -4.581 1.00 0.00 C ATOM 1793 OD1 ASP B 41 -5.519 -9.912 -3.626 1.00 0.00 O1- ATOM 1794 OD2 ASP B 41 -4.787 -10.168 -5.674 1.00 0.00 O ATOM 0 H ASP B 41 -4.617 -6.970 -6.656 1.00 0.00 H new ATOM 0 HA ASP B 41 -5.428 -6.989 -3.806 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -3.094 -8.402 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -3.430 -8.393 -3.427 1.00 0.00 H new ATOM 1799 N ASP B 42 -3.799 -4.891 -5.265 1.00 0.00 N ATOM 1800 CA ASP B 42 -2.990 -3.671 -5.207 1.00 0.00 C ATOM 1801 C ASP B 42 -3.570 -2.706 -4.178 1.00 0.00 C ATOM 1802 O ASP B 42 -3.494 -1.483 -4.318 1.00 0.00 O ATOM 1803 CB ASP B 42 -2.963 -3.014 -6.584 1.00 0.00 C ATOM 1804 CG ASP B 42 -4.346 -2.620 -7.062 1.00 0.00 C ATOM 1805 OD1 ASP B 42 -5.178 -3.526 -7.286 1.00 0.00 O ATOM 1806 OD2 ASP B 42 -4.611 -1.407 -7.206 1.00 0.00 O1- ATOM 0 H ASP B 42 -4.438 -4.924 -6.059 1.00 0.00 H new ATOM 0 HA ASP B 42 -1.973 -3.927 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -2.328 -2.129 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -2.515 -3.700 -7.303 1.00 0.00 H new ATOM 1811 N LEU B 43 -4.095 -3.288 -3.119 1.00 0.00 N ATOM 1812 CA LEU B 43 -4.863 -2.579 -2.111 1.00 0.00 C ATOM 1813 C LEU B 43 -3.979 -1.605 -1.347 1.00 0.00 C ATOM 1814 O LEU B 43 -4.395 -0.495 -1.010 1.00 0.00 O ATOM 1815 CB LEU B 43 -5.465 -3.613 -1.162 1.00 0.00 C ATOM 1816 CG LEU B 43 -6.148 -4.795 -1.865 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -6.165 -6.022 -0.963 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -7.563 -4.422 -2.278 1.00 0.00 C ATOM 0 H LEU B 43 -3.999 -4.286 -2.930 1.00 0.00 H new ATOM 0 HA LEU B 43 -5.654 -1.999 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -4.677 -3.997 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -6.193 -3.118 -0.519 1.00 0.00 H new ATOM 0 HG LEU B 43 -5.576 -5.036 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -6.653 -6.847 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -5.142 -6.304 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -6.712 -5.793 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -8.033 -5.271 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -8.141 -4.154 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -7.531 -3.574 -2.962 1.00 0.00 H new ATOM 1830 N MET B 44 -2.755 -2.027 -1.089 1.00 0.00 N ATOM 1831 CA MET B 44 -1.808 -1.217 -0.345 1.00 0.00 C ATOM 1832 C MET B 44 -0.757 -0.637 -1.274 1.00 0.00 C ATOM 1833 O MET B 44 -0.736 0.565 -1.540 1.00 0.00 O ATOM 1834 CB MET B 44 -1.105 -2.043 0.738 1.00 0.00 C ATOM 1835 CG MET B 44 -1.657 -3.440 0.954 1.00 0.00 C ATOM 1836 SD MET B 44 -1.424 -4.524 -0.475 1.00 0.00 S ATOM 1837 CE MET B 44 -1.987 -6.089 0.191 1.00 0.00 C ATOM 0 H MET B 44 -2.391 -2.933 -1.386 1.00 0.00 H new ATOM 0 HA MET B 44 -2.370 -0.411 0.126 1.00 0.00 H new ATOM 0 HB2 MET B 44 -0.049 -2.124 0.481 1.00 0.00 H new ATOM 0 HB3 MET B 44 -1.162 -1.499 1.681 1.00 0.00 H new ATOM 0 HG2 MET B 44 -1.173 -3.885 1.823 1.00 0.00 H new ATOM 0 HG3 MET B 44 -2.721 -3.373 1.182 1.00 0.00 H new ATOM 0 HE1 MET B 44 -1.648 -6.901 -0.452 1.00 0.00 H new ATOM 0 HE2 MET B 44 -1.580 -6.226 1.193 1.00 0.00 H new ATOM 0 HE3 MET B 44 -3.076 -6.094 0.238 1.00 0.00 H new ATOM 1847 N LEU B 45 0.113 -1.503 -1.767 1.00 0.00 N ATOM 1848 CA LEU B 45 1.178 -1.082 -2.655 1.00 0.00 C ATOM 1849 C LEU B 45 0.684 -1.108 -4.096 1.00 0.00 C ATOM 1850 O LEU B 45 0.767 -2.127 -4.781 1.00 0.00 O ATOM 1851 CB LEU B 45 2.432 -1.958 -2.469 1.00 0.00 C ATOM 1852 CG LEU B 45 3.051 -1.906 -1.060 1.00 0.00 C ATOM 1853 CD1 LEU B 45 4.405 -2.612 -0.999 1.00 0.00 C ATOM 1854 CD2 LEU B 45 3.204 -0.467 -0.624 1.00 0.00 C ATOM 0 H LEU B 45 0.100 -2.503 -1.565 1.00 0.00 H new ATOM 0 HA LEU B 45 1.464 -0.060 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU B 45 2.174 -2.992 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU B 45 3.185 -1.648 -3.193 1.00 0.00 H new ATOM 0 HG LEU B 45 2.377 -2.432 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.803 -2.549 0.014 1.00 0.00 H new ATOM 0 HD12 LEU B 45 4.282 -3.659 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU B 45 5.097 -2.132 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.642 -0.434 0.373 1.00 0.00 H new ATOM 0 HD22 LEU B 45 3.854 0.058 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU B 45 2.226 0.014 -0.607 1.00 0.00 H new ATOM 1866 N SER B 46 0.116 0.010 -4.524 1.00 0.00 N ATOM 1867 CA SER B 46 -0.409 0.144 -5.873 1.00 0.00 C ATOM 1868 C SER B 46 0.718 0.461 -6.857 1.00 0.00 C ATOM 1869 O SER B 46 1.529 1.354 -6.607 1.00 0.00 O ATOM 1870 CB SER B 46 -1.469 1.240 -5.903 1.00 0.00 C ATOM 1871 OG SER B 46 -2.483 0.981 -4.945 1.00 0.00 O ATOM 0 H SER B 46 0.007 0.845 -3.949 1.00 0.00 H new ATOM 0 HA SER B 46 -0.865 -0.800 -6.173 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.007 2.206 -5.699 1.00 0.00 H new ATOM 0 HB3 SER B 46 -1.909 1.301 -6.898 1.00 0.00 H new ATOM 0 HG SER B 46 -2.664 0.018 -4.912 1.00 0.00 H new ATOM 1877 N PRO B 47 0.750 -0.260 -7.995 1.00 0.00 N ATOM 1878 CA PRO B 47 1.857 -0.223 -8.970 1.00 0.00 C ATOM 1879 C PRO B 47 2.403 1.173 -9.279 1.00 0.00 C ATOM 1880 O PRO B 47 3.616 1.365 -9.335 1.00 0.00 O ATOM 1881 CB PRO B 47 1.226 -0.828 -10.220 1.00 0.00 C ATOM 1882 CG PRO B 47 0.235 -1.802 -9.691 1.00 0.00 C ATOM 1883 CD PRO B 47 -0.312 -1.196 -8.426 1.00 0.00 C ATOM 0 HA PRO B 47 2.727 -0.752 -8.581 1.00 0.00 H new ATOM 0 HB2 PRO B 47 0.747 -0.065 -10.834 1.00 0.00 H new ATOM 0 HB3 PRO B 47 1.972 -1.318 -10.846 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -0.561 -1.979 -10.414 1.00 0.00 H new ATOM 0 HG3 PRO B 47 0.704 -2.765 -9.491 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -1.254 -0.677 -8.606 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -0.506 -1.956 -7.670 1.00 0.00 H new ATOM 1891 N ASP B 48 1.516 2.138 -9.484 1.00 0.00 N ATOM 1892 CA ASP B 48 1.926 3.490 -9.872 1.00 0.00 C ATOM 1893 C ASP B 48 2.734 4.179 -8.775 1.00 0.00 C ATOM 1894 O ASP B 48 3.809 4.721 -9.030 1.00 0.00 O ATOM 1895 CB ASP B 48 0.702 4.337 -10.215 1.00 0.00 C ATOM 1896 CG ASP B 48 1.053 5.792 -10.465 1.00 0.00 C ATOM 1897 OD1 ASP B 48 1.624 6.098 -11.532 1.00 0.00 O1- ATOM 1898 OD2 ASP B 48 0.765 6.637 -9.596 1.00 0.00 O ATOM 0 H ASP B 48 0.508 2.014 -9.389 1.00 0.00 H new ATOM 0 HA ASP B 48 2.565 3.394 -10.750 1.00 0.00 H new ATOM 0 HB2 ASP B 48 0.217 3.926 -11.101 1.00 0.00 H new ATOM 0 HB3 ASP B 48 -0.018 4.275 -9.399 1.00 0.00 H new ATOM 1903 N ASP B 49 2.226 4.131 -7.553 1.00 0.00 N ATOM 1904 CA ASP B 49 2.830 4.858 -6.439 1.00 0.00 C ATOM 1905 C ASP B 49 4.144 4.218 -6.015 1.00 0.00 C ATOM 1906 O ASP B 49 5.084 4.895 -5.597 1.00 0.00 O ATOM 1907 CB ASP B 49 1.870 4.869 -5.248 1.00 0.00 C ATOM 1908 CG ASP B 49 2.301 5.820 -4.148 1.00 0.00 C ATOM 1909 OD1 ASP B 49 3.192 5.462 -3.348 1.00 0.00 O1- ATOM 1910 OD2 ASP B 49 1.727 6.927 -4.059 1.00 0.00 O ATOM 0 H ASP B 49 1.394 3.595 -7.304 1.00 0.00 H new ATOM 0 HA ASP B 49 3.029 5.878 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP B 49 0.875 5.149 -5.593 1.00 0.00 H new ATOM 0 HB3 ASP B 49 1.794 3.861 -4.840 1.00 0.00 H new ATOM 1915 N ILE B 50 4.200 2.908 -6.151 1.00 0.00 N ATOM 1916 CA ILE B 50 5.302 2.115 -5.623 1.00 0.00 C ATOM 1917 C ILE B 50 6.410 1.917 -6.625 1.00 0.00 C ATOM 1918 O ILE B 50 7.472 1.402 -6.279 1.00 0.00 O ATOM 1919 CB ILE B 50 4.810 0.743 -5.168 1.00 0.00 C ATOM 1920 CG1 ILE B 50 4.267 -0.050 -6.359 1.00 0.00 C ATOM 1921 CG2 ILE B 50 3.748 0.939 -4.124 1.00 0.00 C ATOM 1922 CD1 ILE B 50 3.692 -1.396 -5.991 1.00 0.00 C ATOM 0 H ILE B 50 3.485 2.360 -6.630 1.00 0.00 H new ATOM 0 HA ILE B 50 5.700 2.677 -4.778 1.00 0.00 H new ATOM 0 HB ILE B 50 5.636 0.173 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.495 0.540 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE B 50 5.070 -0.195 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.385 -0.032 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE B 50 4.166 1.483 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.921 1.508 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.329 -1.895 -6.890 1.00 0.00 H new ATOM 0 HD12 ILE B 50 4.465 -2.007 -5.525 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.866 -1.260 -5.293 1.00 0.00 H new ATOM 1934 N GLU B 51 6.162 2.311 -7.864 1.00 0.00 N ATOM 1935 CA GLU B 51 7.081 2.026 -8.955 1.00 0.00 C ATOM 1936 C GLU B 51 8.449 2.684 -8.723 1.00 0.00 C ATOM 1937 O GLU B 51 9.401 2.460 -9.468 1.00 0.00 O ATOM 1938 CB GLU B 51 6.474 2.485 -10.286 1.00 0.00 C ATOM 1939 CG GLU B 51 7.223 1.978 -11.509 1.00 0.00 C ATOM 1940 CD GLU B 51 6.535 2.336 -12.812 1.00 0.00 C ATOM 1941 OE1 GLU B 51 6.683 3.486 -13.275 1.00 0.00 O1- ATOM 1942 OE2 GLU B 51 5.845 1.466 -13.383 1.00 0.00 O ATOM 0 H GLU B 51 5.329 2.831 -8.140 1.00 0.00 H new ATOM 0 HA GLU B 51 7.241 0.948 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU B 51 5.439 2.146 -10.339 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.454 3.575 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.231 2.393 -11.510 1.00 0.00 H new ATOM 0 HG3 GLU B 51 7.325 0.895 -11.443 1.00 0.00 H new ATOM 1949 N GLN B 52 8.536 3.488 -7.675 1.00 0.00 N ATOM 1950 CA GLN B 52 9.776 4.151 -7.312 1.00 0.00 C ATOM 1951 C GLN B 52 10.716 3.166 -6.614 1.00 0.00 C ATOM 1952 O GLN B 52 11.935 3.238 -6.767 1.00 0.00 O ATOM 1953 CB GLN B 52 9.502 5.330 -6.375 1.00 0.00 C ATOM 1954 CG GLN B 52 8.188 6.046 -6.629 1.00 0.00 C ATOM 1955 CD GLN B 52 7.997 7.225 -5.701 1.00 0.00 C ATOM 1956 OE1 GLN B 52 7.462 7.081 -4.601 1.00 0.00 O ATOM 1957 NE2 GLN B 52 8.430 8.396 -6.136 1.00 0.00 N ATOM 0 H GLN B 52 7.753 3.698 -7.056 1.00 0.00 H new ATOM 0 HA GLN B 52 10.243 4.519 -8.225 1.00 0.00 H new ATOM 0 HB2 GLN B 52 9.511 4.970 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN B 52 10.316 6.048 -6.469 1.00 0.00 H new ATOM 0 HG2 GLN B 52 8.156 6.390 -7.663 1.00 0.00 H new ATOM 0 HG3 GLN B 52 7.363 5.346 -6.500 1.00 0.00 H new ATOM 0 HE21 GLN B 52 8.867 8.469 -7.055 1.00 0.00 H new ATOM 0 HE22 GLN B 52 8.327 9.227 -5.553 1.00 0.00 H new ATOM 1966 N TRP B 53 10.139 2.250 -5.838 1.00 0.00 N ATOM 1967 CA TRP B 53 10.929 1.333 -5.017 1.00 0.00 C ATOM 1968 C TRP B 53 10.488 -0.121 -5.184 1.00 0.00 C ATOM 1969 O TRP B 53 11.327 -1.006 -5.327 1.00 0.00 O ATOM 1970 CB TRP B 53 10.883 1.739 -3.536 1.00 0.00 C ATOM 1971 CG TRP B 53 9.687 2.567 -3.166 1.00 0.00 C ATOM 1972 CD1 TRP B 53 9.563 3.917 -3.307 1.00 0.00 C ATOM 1973 CD2 TRP B 53 8.461 2.111 -2.581 1.00 0.00 C ATOM 1974 NE1 TRP B 53 8.332 4.329 -2.870 1.00 0.00 N ATOM 1975 CE2 TRP B 53 7.637 3.242 -2.412 1.00 0.00 C ATOM 1976 CE3 TRP B 53 7.976 0.861 -2.186 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 6.360 3.158 -1.865 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 6.710 0.779 -1.642 1.00 0.00 C ATOM 1979 CH2 TRP B 53 5.915 1.924 -1.487 1.00 0.00 C ATOM 0 H TRP B 53 9.130 2.123 -5.760 1.00 0.00 H new ATOM 0 HA TRP B 53 11.958 1.405 -5.369 1.00 0.00 H new ATOM 0 HB2 TRP B 53 10.892 0.838 -2.923 1.00 0.00 H new ATOM 0 HB3 TRP B 53 11.787 2.298 -3.295 1.00 0.00 H new ATOM 0 HD1 TRP B 53 10.326 4.569 -3.706 1.00 0.00 H new ATOM 0 HE1 TRP B 53 7.989 5.289 -2.884 1.00 0.00 H new ATOM 0 HE3 TRP B 53 8.581 -0.025 -2.304 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 5.744 4.037 -1.744 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 6.326 -0.181 -1.331 1.00 0.00 H new ATOM 0 HH2 TRP B 53 4.928 1.827 -1.059 1.00 0.00 H new ATOM 1990 N PHE B 54 9.179 -0.365 -5.170 1.00 0.00 N ATOM 1991 CA PHE B 54 8.650 -1.724 -5.300 1.00 0.00 C ATOM 1992 C PHE B 54 8.938 -2.259 -6.693 1.00 0.00 C ATOM 1993 O PHE B 54 9.617 -3.275 -6.856 1.00 0.00 O ATOM 1994 CB PHE B 54 7.129 -1.736 -5.053 1.00 0.00 C ATOM 1995 CG PHE B 54 6.489 -3.109 -4.932 1.00 0.00 C ATOM 1996 CD1 PHE B 54 6.783 -4.129 -5.828 1.00 0.00 C ATOM 1997 CD2 PHE B 54 5.571 -3.370 -3.923 1.00 0.00 C ATOM 1998 CE1 PHE B 54 6.183 -5.369 -5.720 1.00 0.00 C ATOM 1999 CE2 PHE B 54 4.968 -4.609 -3.814 1.00 0.00 C ATOM 2000 CZ PHE B 54 5.274 -5.609 -4.711 1.00 0.00 C ATOM 0 H PHE B 54 8.466 0.357 -5.070 1.00 0.00 H new ATOM 0 HA PHE B 54 9.136 -2.357 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE B 54 6.924 -1.179 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE B 54 6.643 -1.200 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE B 54 7.492 -3.950 -6.622 1.00 0.00 H new ATOM 0 HD2 PHE B 54 5.325 -2.594 -3.213 1.00 0.00 H new ATOM 0 HE1 PHE B 54 6.426 -6.150 -6.425 1.00 0.00 H new ATOM 0 HE2 PHE B 54 4.255 -4.794 -3.024 1.00 0.00 H new ATOM 0 HZ PHE B 54 4.804 -6.577 -4.624 1.00 0.00 H new ATOM 2010 N THR B 55 8.415 -1.564 -7.682 1.00 0.00 N ATOM 2011 CA THR B 55 8.471 -2.019 -9.054 1.00 0.00 C ATOM 2012 C THR B 55 9.862 -1.823 -9.645 1.00 0.00 C ATOM 2013 O THR B 55 10.544 -0.839 -9.350 1.00 0.00 O ATOM 2014 CB THR B 55 7.438 -1.257 -9.897 1.00 0.00 C ATOM 2015 OG1 THR B 55 6.261 -1.023 -9.111 1.00 0.00 O ATOM 2016 CG2 THR B 55 7.061 -2.046 -11.137 1.00 0.00 C ATOM 0 H THR B 55 7.940 -0.670 -7.557 1.00 0.00 H new ATOM 0 HA THR B 55 8.243 -3.085 -9.067 1.00 0.00 H new ATOM 0 HB THR B 55 7.878 -0.309 -10.208 1.00 0.00 H new ATOM 0 HG1 THR B 55 5.601 -0.535 -9.647 1.00 0.00 H new ATOM 0 HG21 THR B 55 6.328 -1.485 -11.717 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.950 -2.217 -11.744 1.00 0.00 H new ATOM 0 HG23 THR B 55 6.633 -3.004 -10.842 1.00 0.00 H new ATOM 2024 N GLU B 56 10.284 -2.779 -10.456 1.00 0.00 N ATOM 2025 CA GLU B 56 11.549 -2.679 -11.161 1.00 0.00 C ATOM 2026 C GLU B 56 11.370 -1.884 -12.449 1.00 0.00 C ATOM 2027 O GLU B 56 10.246 -1.722 -12.936 1.00 0.00 O ATOM 2028 CB GLU B 56 12.098 -4.075 -11.464 1.00 0.00 C ATOM 2029 CG GLU B 56 11.122 -4.962 -12.222 1.00 0.00 C ATOM 2030 CD GLU B 56 11.700 -6.322 -12.540 1.00 0.00 C ATOM 2031 OE1 GLU B 56 12.355 -6.462 -13.589 1.00 0.00 O ATOM 2032 OE2 GLU B 56 11.490 -7.265 -11.745 1.00 0.00 O1- ATOM 0 H GLU B 56 9.765 -3.637 -10.642 1.00 0.00 H new ATOM 0 HA GLU B 56 12.266 -2.157 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU B 56 13.014 -3.977 -12.046 1.00 0.00 H new ATOM 0 HB3 GLU B 56 12.366 -4.562 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU B 56 10.215 -5.086 -11.631 1.00 0.00 H new ATOM 0 HG3 GLU B 56 10.833 -4.468 -13.150 1.00 0.00 H new ATOM 2039 N ASP B 57 12.473 -1.396 -13.001 1.00 0.00 N ATOM 2040 CA ASP B 57 12.429 -0.599 -14.220 1.00 0.00 C ATOM 2041 C ASP B 57 11.854 -1.423 -15.373 1.00 0.00 C ATOM 2042 O ASP B 57 12.207 -2.591 -15.543 1.00 0.00 O ATOM 2043 CB ASP B 57 13.829 -0.087 -14.576 1.00 0.00 C ATOM 2044 CG ASP B 57 13.838 0.840 -15.775 1.00 0.00 C ATOM 2045 OD1 ASP B 57 13.912 0.345 -16.917 1.00 0.00 O1- ATOM 2046 OD2 ASP B 57 13.786 2.070 -15.579 1.00 0.00 O ATOM 0 H ASP B 57 13.410 -1.538 -12.624 1.00 0.00 H new ATOM 0 HA ASP B 57 11.780 0.260 -14.049 1.00 0.00 H new ATOM 0 HB2 ASP B 57 14.247 0.437 -13.716 1.00 0.00 H new ATOM 0 HB3 ASP B 57 14.480 -0.938 -14.778 1.00 0.00 H new ATOM 2051 N PRO B 58 10.944 -0.824 -16.160 1.00 0.00 N ATOM 2052 CA PRO B 58 10.259 -1.504 -17.271 1.00 0.00 C ATOM 2053 C PRO B 58 11.208 -1.975 -18.379 1.00 0.00 C ATOM 2054 O PRO B 58 10.820 -2.763 -19.244 1.00 0.00 O ATOM 2055 CB PRO B 58 9.299 -0.434 -17.812 1.00 0.00 C ATOM 2056 CG PRO B 58 9.860 0.863 -17.341 1.00 0.00 C ATOM 2057 CD PRO B 58 10.502 0.573 -16.017 1.00 0.00 C ATOM 0 HA PRO B 58 9.768 -2.415 -16.929 1.00 0.00 H new ATOM 0 HB2 PRO B 58 9.243 -0.468 -18.900 1.00 0.00 H new ATOM 0 HB3 PRO B 58 8.287 -0.586 -17.436 1.00 0.00 H new ATOM 0 HG2 PRO B 58 10.588 1.255 -18.051 1.00 0.00 H new ATOM 0 HG3 PRO B 58 9.077 1.614 -17.240 1.00 0.00 H new ATOM 0 HD2 PRO B 58 11.339 1.243 -15.819 1.00 0.00 H new ATOM 0 HD3 PRO B 58 9.798 0.691 -15.193 1.00 0.00 H new ATOM 2065 N GLY B 59 12.443 -1.492 -18.360 1.00 0.00 N ATOM 2066 CA GLY B 59 13.409 -1.892 -19.360 1.00 0.00 C ATOM 2067 C GLY B 59 14.655 -2.475 -18.733 1.00 0.00 C ATOM 2068 O GLY B 59 14.589 -3.058 -17.649 1.00 0.00 O ATOM 0 H GLY B 59 12.792 -0.829 -17.668 1.00 0.00 H new ATOM 0 HA2 GLY B 59 12.959 -2.628 -20.027 1.00 0.00 H new ATOM 0 HA3 GLY B 59 13.678 -1.030 -19.971 1.00 0.00 H new ATOM 2072 N PRO B 60 15.809 -2.340 -19.393 1.00 0.00 N ATOM 2073 CA PRO B 60 17.081 -2.836 -18.877 1.00 0.00 C ATOM 2074 C PRO B 60 17.619 -1.948 -17.762 1.00 0.00 C ATOM 2075 O PRO B 60 18.163 -0.867 -18.071 1.00 0.00 O ATOM 2076 CB PRO B 60 18.017 -2.802 -20.097 1.00 0.00 C ATOM 2077 CG PRO B 60 17.161 -2.413 -21.263 1.00 0.00 C ATOM 2078 CD PRO B 60 15.974 -1.694 -20.696 1.00 0.00 C ATOM 0 HA PRO B 60 16.986 -3.830 -18.440 1.00 0.00 H new ATOM 0 HB2 PRO B 60 18.825 -2.085 -19.949 1.00 0.00 H new ATOM 0 HB3 PRO B 60 18.480 -3.775 -20.261 1.00 0.00 H new ATOM 0 HG2 PRO B 60 17.711 -1.772 -21.952 1.00 0.00 H new ATOM 0 HG3 PRO B 60 16.849 -3.292 -21.827 1.00 0.00 H new ATOM 0 HD2 PRO B 60 16.156 -0.624 -20.599 1.00 0.00 H new ATOM 0 HD3 PRO B 60 15.090 -1.812 -21.323 1.00 0.00 H new TER 2086 PRO B 60