USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 777 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 54 ASN : amide:sc= 0.423 K(o=0.88,f=0.37) USER MOD Set 1.2: A 57 GLN : amide:sc= 0.458 K(o=0.88,f=0.37) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 165:sc= 1.53 (180deg=0.153) USER MOD Set 2.2: A 47 GLN : amide:sc= 1.28 K(o=2.8,f=-4.3) USER MOD Set 2.3: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -135:sc= 0 (180deg=-0.166) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 62:sc= 0.999 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 13 GLN : amide:sc= 0.843 K(o=0.84,f=-6!) USER MOD Single : A 22 SER OG : rot 47:sc= 0.793 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= 0.471 (180deg=-0.281!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.252 K(o=0.25,f=-0.91) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 1.16 (180deg=0.86) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 1.92 (180deg=1.75) USER MOD Single : A 74 TYR OH : rot -16:sc= 1.16 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0548 X(o=-0.055,f=-0.24) USER MOD Single : A 82 ASN : amide:sc= 1.14 K(o=1.1,f=-5.1!) USER MOD Single : A 84 THR OG1 : rot 116:sc= 1.17 USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 2.152 14.229 5.686 1.00 0.00 N ATOM 36 CA LYS A 1 2.279 12.808 6.128 1.00 0.00 C ATOM 37 C LYS A 1 0.973 12.309 6.837 1.00 0.00 C ATOM 38 O LYS A 1 0.835 12.396 8.061 1.00 0.00 O ATOM 39 CB LYS A 1 3.503 12.584 7.060 1.00 0.00 C ATOM 40 CG LYS A 1 4.919 12.956 6.565 1.00 0.00 C ATOM 41 CD LYS A 1 5.958 12.612 7.658 1.00 0.00 C ATOM 42 CE LYS A 1 7.355 13.202 7.410 1.00 0.00 C ATOM 43 NZ LYS A 1 8.226 12.854 8.567 1.00 0.00 N ATOM 0 H1 LYS A 1 2.516 14.325 4.716 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.152 14.512 5.710 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.700 14.841 6.323 1.00 0.00 H new ATOM 0 HA LYS A 1 2.436 12.222 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.321 13.144 7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.519 11.528 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.148 12.414 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.965 14.019 6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.590 12.972 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.042 11.528 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.776 12.805 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.294 14.284 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.177 13.246 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.822 13.253 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.288 11.820 8.656 1.00 0.00 H new ATOM 57 N VAL A 2 0.025 11.761 6.063 1.00 0.00 N ATOM 58 CA VAL A 2 -1.056 10.891 6.617 1.00 0.00 C ATOM 59 C VAL A 2 -1.193 9.676 5.639 1.00 0.00 C ATOM 60 O VAL A 2 -2.102 9.637 4.803 1.00 0.00 O ATOM 61 CB VAL A 2 -2.406 11.653 6.874 1.00 0.00 C ATOM 62 CG1 VAL A 2 -3.436 10.762 7.610 1.00 0.00 C ATOM 63 CG2 VAL A 2 -2.302 12.962 7.692 1.00 0.00 C ATOM 0 H VAL A 2 -0.027 11.896 5.053 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.789 10.542 7.614 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.720 11.911 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.356 11.325 7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.650 9.879 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.028 10.454 8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.294 13.400 7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.886 12.744 8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.653 13.666 7.171 1.00 0.00 H new ATOM 73 N ASP A 3 -0.281 8.692 5.736 1.00 0.00 N ATOM 74 CA ASP A 3 -0.337 7.455 4.910 1.00 0.00 C ATOM 75 C ASP A 3 -1.063 6.316 5.679 1.00 0.00 C ATOM 76 O ASP A 3 -0.733 6.054 6.838 1.00 0.00 O ATOM 77 CB ASP A 3 1.107 7.054 4.521 1.00 0.00 C ATOM 78 CG ASP A 3 1.166 5.930 3.488 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.017 6.221 2.285 1.00 0.00 O ATOM 80 OD2 ASP A 3 1.324 4.753 3.884 1.00 0.00 O ATOM 0 H ASP A 3 0.510 8.723 6.379 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.910 7.638 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.625 7.928 4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.644 6.743 5.417 1.00 0.00 H new ATOM 85 N ILE A 4 -1.981 5.595 5.015 1.00 0.00 N ATOM 86 CA ILE A 4 -2.379 4.226 5.455 1.00 0.00 C ATOM 87 C ILE A 4 -1.761 3.194 4.454 1.00 0.00 C ATOM 88 O ILE A 4 -2.156 3.110 3.287 1.00 0.00 O ATOM 89 CB ILE A 4 -3.921 4.049 5.717 1.00 0.00 C ATOM 90 CG1 ILE A 4 -4.902 4.325 4.535 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.375 4.835 6.972 1.00 0.00 C ATOM 92 CD1 ILE A 4 -5.341 3.069 3.759 1.00 0.00 C ATOM 0 H ILE A 4 -2.464 5.923 4.179 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.968 4.038 6.447 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.999 2.973 5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.789 4.823 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.427 5.018 3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.445 4.691 7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.832 4.472 7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.168 5.896 6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.021 3.356 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.465 2.579 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.848 2.382 4.436 1.00 0.00 H new ATOM 104 N THR A 5 -0.777 2.408 4.926 1.00 0.00 N ATOM 105 CA THR A 5 -0.193 1.275 4.155 1.00 0.00 C ATOM 106 C THR A 5 -0.677 -0.046 4.838 1.00 0.00 C ATOM 107 O THR A 5 -0.204 -0.431 5.915 1.00 0.00 O ATOM 108 CB THR A 5 1.347 1.478 4.018 1.00 0.00 C ATOM 109 OG1 THR A 5 1.613 2.531 3.087 1.00 0.00 O ATOM 110 CG2 THR A 5 2.102 0.268 3.444 1.00 0.00 C ATOM 0 H THR A 5 -0.359 2.532 5.848 1.00 0.00 H new ATOM 0 HA THR A 5 -0.534 1.220 3.121 1.00 0.00 H new ATOM 0 HB THR A 5 1.684 1.675 5.036 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.226 3.368 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.166 0.498 3.384 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.953 -0.595 4.093 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.723 0.042 2.447 1.00 0.00 H new ATOM 118 N ILE A 6 -1.669 -0.707 4.216 1.00 0.00 N ATOM 119 CA ILE A 6 -2.399 -1.863 4.819 1.00 0.00 C ATOM 120 C ILE A 6 -2.024 -3.130 3.995 1.00 0.00 C ATOM 121 O ILE A 6 -2.509 -3.300 2.873 1.00 0.00 O ATOM 122 CB ILE A 6 -3.956 -1.630 4.852 1.00 0.00 C ATOM 123 CG1 ILE A 6 -4.435 -0.241 5.357 1.00 0.00 C ATOM 124 CG2 ILE A 6 -4.714 -2.763 5.596 1.00 0.00 C ATOM 125 CD1 ILE A 6 -4.065 0.120 6.802 1.00 0.00 C ATOM 0 H ILE A 6 -1.996 -0.464 3.281 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.103 -1.986 5.861 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.216 -1.652 3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.025 0.523 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.520 -0.197 5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.783 -2.551 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.529 -3.714 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.363 -2.820 6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.452 1.111 7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.499 -0.613 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.980 0.119 6.911 1.00 0.00 H new ATOM 137 N LYS A 7 -1.191 -4.029 4.543 1.00 0.00 N ATOM 138 CA LYS A 7 -0.790 -5.274 3.827 1.00 0.00 C ATOM 139 C LYS A 7 -1.428 -6.504 4.535 1.00 0.00 C ATOM 140 O LYS A 7 -1.162 -6.771 5.715 1.00 0.00 O ATOM 141 CB LYS A 7 0.751 -5.317 3.730 1.00 0.00 C ATOM 142 CG LYS A 7 1.372 -6.240 2.659 1.00 0.00 C ATOM 143 CD LYS A 7 2.913 -6.381 2.807 1.00 0.00 C ATOM 144 CE LYS A 7 3.810 -5.266 2.220 1.00 0.00 C ATOM 145 NZ LYS A 7 3.662 -3.959 2.915 1.00 0.00 N ATOM 0 H LYS A 7 -0.779 -3.929 5.471 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.164 -5.294 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.105 -4.303 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.141 -5.619 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.913 -7.227 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.141 -5.847 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.139 -6.465 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.207 -7.323 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.852 -5.582 2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.571 -5.136 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.452 -3.336 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.764 -3.516 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.666 -4.111 3.944 1.00 0.00 H new ATOM 159 N ILE A 8 -2.286 -7.238 3.806 1.00 0.00 N ATOM 160 CA ILE A 8 -2.939 -8.477 4.327 1.00 0.00 C ATOM 161 C ILE A 8 -2.096 -9.685 3.804 1.00 0.00 C ATOM 162 O ILE A 8 -2.140 -10.008 2.613 1.00 0.00 O ATOM 163 CB ILE A 8 -4.464 -8.582 3.948 1.00 0.00 C ATOM 164 CG1 ILE A 8 -5.308 -7.325 4.323 1.00 0.00 C ATOM 165 CG2 ILE A 8 -5.121 -9.837 4.589 1.00 0.00 C ATOM 166 CD1 ILE A 8 -6.700 -7.229 3.676 1.00 0.00 C ATOM 0 H ILE A 8 -2.552 -7.003 2.850 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.948 -8.465 5.417 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.470 -8.662 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.430 -7.304 5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.740 -6.436 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.173 -9.880 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.614 -10.734 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.037 -9.777 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.194 -6.316 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.596 -7.211 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.298 -8.092 3.969 1.00 0.00 H new ATOM 178 N GLN A 9 -1.361 -10.372 4.695 1.00 0.00 N ATOM 179 CA GLN A 9 -0.566 -11.582 4.338 1.00 0.00 C ATOM 180 C GLN A 9 -1.502 -12.838 4.329 1.00 0.00 C ATOM 181 O GLN A 9 -1.628 -13.562 5.326 1.00 0.00 O ATOM 182 CB GLN A 9 0.641 -11.734 5.316 1.00 0.00 C ATOM 183 CG GLN A 9 1.738 -10.630 5.341 1.00 0.00 C ATOM 184 CD GLN A 9 1.417 -9.285 6.007 1.00 0.00 C ATOM 185 OE1 GLN A 9 1.440 -8.231 5.382 1.00 0.00 O ATOM 186 NE2 GLN A 9 1.154 -9.257 7.292 1.00 0.00 N ATOM 0 H GLN A 9 -1.295 -10.114 5.680 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.150 -11.480 3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.238 -11.819 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.132 -12.680 5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.613 -11.045 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.026 -10.427 4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.131 -10.125 7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.973 -8.367 7.756 1.00 0.00 H new ATOM 195 N ARG A 10 -2.223 -13.051 3.213 1.00 0.00 N ATOM 196 CA ARG A 10 -3.413 -13.940 3.186 1.00 0.00 C ATOM 197 C ARG A 10 -3.041 -15.362 2.672 1.00 0.00 C ATOM 198 O ARG A 10 -2.942 -15.599 1.462 1.00 0.00 O ATOM 199 CB ARG A 10 -4.509 -13.238 2.335 1.00 0.00 C ATOM 200 CG ARG A 10 -5.954 -13.747 2.602 1.00 0.00 C ATOM 201 CD ARG A 10 -6.764 -14.089 1.337 1.00 0.00 C ATOM 202 NE ARG A 10 -6.313 -15.404 0.793 1.00 0.00 N ATOM 203 CZ ARG A 10 -5.735 -15.620 -0.379 1.00 0.00 C ATOM 204 NH1 ARG A 10 -5.676 -14.748 -1.349 1.00 0.00 N ATOM 205 NH2 ARG A 10 -5.195 -16.785 -0.560 1.00 0.00 N ATOM 0 H ARG A 10 -2.007 -12.622 2.313 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.805 -14.100 4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.472 -12.166 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.277 -13.378 1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.901 -14.634 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.493 -12.986 3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.827 -14.127 1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.632 -13.309 0.587 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.466 -16.220 1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.094 -13.825 -1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.212 -14.990 -2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.228 -17.484 0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.737 -17.003 -1.445 1.00 0.00 H new ATOM 219 N ASP A 11 -2.811 -16.305 3.605 1.00 0.00 N ATOM 220 CA ASP A 11 -2.444 -17.725 3.288 1.00 0.00 C ATOM 221 C ASP A 11 -0.943 -17.869 2.875 1.00 0.00 C ATOM 222 O ASP A 11 -0.072 -18.215 3.677 1.00 0.00 O ATOM 223 CB ASP A 11 -3.476 -18.511 2.415 1.00 0.00 C ATOM 224 CG ASP A 11 -4.949 -18.338 2.788 1.00 0.00 C ATOM 225 OD1 ASP A 11 -5.347 -18.717 3.909 1.00 0.00 O ATOM 226 OD2 ASP A 11 -5.705 -17.782 1.959 1.00 0.00 O ATOM 0 H ASP A 11 -2.871 -16.117 4.606 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.530 -18.267 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.348 -18.206 1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.232 -19.572 2.468 1.00 0.00 H new ATOM 231 N GLY A 12 -0.673 -17.493 1.630 1.00 0.00 N ATOM 232 CA GLY A 12 0.650 -16.944 1.224 1.00 0.00 C ATOM 233 C GLY A 12 0.557 -15.902 0.088 1.00 0.00 C ATOM 234 O GLY A 12 1.159 -16.097 -0.969 1.00 0.00 O ATOM 0 H GLY A 12 -1.347 -17.553 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.126 -16.485 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.293 -17.764 0.904 1.00 0.00 H new ATOM 238 N GLN A 13 -0.214 -14.819 0.300 1.00 0.00 N ATOM 239 CA GLN A 13 -0.490 -13.796 -0.746 1.00 0.00 C ATOM 240 C GLN A 13 -0.587 -12.383 -0.091 1.00 0.00 C ATOM 241 O GLN A 13 -1.600 -12.030 0.523 1.00 0.00 O ATOM 242 CB GLN A 13 -1.783 -14.158 -1.541 1.00 0.00 C ATOM 243 CG GLN A 13 -1.590 -15.261 -2.613 1.00 0.00 C ATOM 244 CD GLN A 13 -2.803 -15.481 -3.520 1.00 0.00 C ATOM 245 OE1 GLN A 13 -3.833 -16.019 -3.122 1.00 0.00 O ATOM 246 NE2 GLN A 13 -2.725 -15.067 -4.763 1.00 0.00 N ATOM 0 H GLN A 13 -0.665 -14.622 1.194 1.00 0.00 H new ATOM 0 HA GLN A 13 0.333 -13.780 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.548 -14.483 -0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.159 -13.258 -2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.731 -15.002 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.351 -16.199 -2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.872 -14.620 -5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.517 -15.193 -5.393 1.00 0.00 H new ATOM 255 N GLU A 14 0.471 -11.572 -0.251 1.00 0.00 N ATOM 256 CA GLU A 14 0.578 -10.231 0.381 1.00 0.00 C ATOM 257 C GLU A 14 -0.231 -9.127 -0.380 1.00 0.00 C ATOM 258 O GLU A 14 0.205 -8.605 -1.411 1.00 0.00 O ATOM 259 CB GLU A 14 2.089 -9.872 0.510 1.00 0.00 C ATOM 260 CG GLU A 14 2.959 -10.767 1.439 1.00 0.00 C ATOM 261 CD GLU A 14 3.567 -12.025 0.829 1.00 0.00 C ATOM 262 OE1 GLU A 14 2.812 -12.966 0.502 1.00 0.00 O ATOM 263 OE2 GLU A 14 4.806 -12.082 0.697 1.00 0.00 O ATOM 0 H GLU A 14 1.280 -11.820 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 14 0.123 -10.271 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.527 -9.895 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.162 -8.845 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.772 -10.156 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.346 -11.067 2.289 1.00 0.00 H new ATOM 270 N ILE A 15 -1.421 -8.766 0.137 1.00 0.00 N ATOM 271 CA ILE A 15 -2.358 -7.825 -0.554 1.00 0.00 C ATOM 272 C ILE A 15 -2.104 -6.377 -0.002 1.00 0.00 C ATOM 273 O ILE A 15 -2.619 -6.014 1.060 1.00 0.00 O ATOM 274 CB ILE A 15 -3.849 -8.324 -0.439 1.00 0.00 C ATOM 275 CG1 ILE A 15 -4.097 -9.743 -1.047 1.00 0.00 C ATOM 276 CG2 ILE A 15 -4.852 -7.327 -1.084 1.00 0.00 C ATOM 277 CD1 ILE A 15 -5.358 -10.461 -0.530 1.00 0.00 C ATOM 0 H ILE A 15 -1.768 -9.107 1.034 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.167 -7.797 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.023 -8.386 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.169 -9.650 -2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.229 -10.368 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.866 -7.713 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.778 -6.362 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.616 -7.206 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.444 -11.436 -1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.285 -10.592 0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.239 -9.863 -0.764 1.00 0.00 H new ATOM 289 N GLU A 16 -1.318 -5.569 -0.740 1.00 0.00 N ATOM 290 CA GLU A 16 -0.965 -4.173 -0.350 1.00 0.00 C ATOM 291 C GLU A 16 -2.067 -3.132 -0.753 1.00 0.00 C ATOM 292 O GLU A 16 -2.425 -3.005 -1.929 1.00 0.00 O ATOM 293 CB GLU A 16 0.397 -3.839 -1.030 1.00 0.00 C ATOM 294 CG GLU A 16 1.070 -2.507 -0.589 1.00 0.00 C ATOM 295 CD GLU A 16 1.999 -2.602 0.609 1.00 0.00 C ATOM 296 OE1 GLU A 16 1.535 -2.727 1.763 1.00 0.00 O ATOM 297 OE2 GLU A 16 3.232 -2.593 0.414 1.00 0.00 O ATOM 0 H GLU A 16 -0.905 -5.858 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.891 -4.107 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.090 -4.657 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.244 -3.806 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.635 -2.110 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.287 -1.784 -0.361 1.00 0.00 H new ATOM 304 N ILE A 17 -2.558 -2.352 0.225 1.00 0.00 N ATOM 305 CA ILE A 17 -3.408 -1.147 -0.027 1.00 0.00 C ATOM 306 C ILE A 17 -2.616 0.088 0.526 1.00 0.00 C ATOM 307 O ILE A 17 -2.672 0.395 1.723 1.00 0.00 O ATOM 308 CB ILE A 17 -4.849 -1.314 0.585 1.00 0.00 C ATOM 309 CG1 ILE A 17 -5.630 -2.595 0.156 1.00 0.00 C ATOM 310 CG2 ILE A 17 -5.749 -0.065 0.397 1.00 0.00 C ATOM 311 CD1 ILE A 17 -5.942 -2.756 -1.344 1.00 0.00 C ATOM 0 H ILE A 17 -2.385 -2.528 1.215 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.593 -1.002 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.625 -1.436 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.057 -3.465 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.573 -2.615 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.726 -0.250 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.286 0.794 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.868 0.141 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.487 -3.686 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.550 -1.917 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.010 -2.779 -1.909 1.00 0.00 H new ATOM 323 N ASP A 18 -1.882 0.781 -0.360 1.00 0.00 N ATOM 324 CA ASP A 18 -0.957 1.891 0.002 1.00 0.00 C ATOM 325 C ASP A 18 -1.474 3.264 -0.539 1.00 0.00 C ATOM 326 O ASP A 18 -1.284 3.603 -1.712 1.00 0.00 O ATOM 327 CB ASP A 18 0.481 1.504 -0.455 1.00 0.00 C ATOM 328 CG ASP A 18 0.736 1.208 -1.945 1.00 0.00 C ATOM 329 OD1 ASP A 18 0.066 0.310 -2.506 1.00 0.00 O ATOM 330 OD2 ASP A 18 1.620 1.853 -2.546 1.00 0.00 O ATOM 0 H ASP A 18 -1.908 0.591 -1.362 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.922 2.032 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.149 2.314 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.780 0.622 0.112 1.00 0.00 H new ATOM 335 N ILE A 19 -2.169 4.052 0.306 1.00 0.00 N ATOM 336 CA ILE A 19 -2.801 5.344 -0.121 1.00 0.00 C ATOM 337 C ILE A 19 -2.711 6.428 1.010 1.00 0.00 C ATOM 338 O ILE A 19 -2.828 6.127 2.203 1.00 0.00 O ATOM 339 CB ILE A 19 -4.255 5.172 -0.719 1.00 0.00 C ATOM 340 CG1 ILE A 19 -5.322 4.499 0.200 1.00 0.00 C ATOM 341 CG2 ILE A 19 -4.259 4.460 -2.095 1.00 0.00 C ATOM 342 CD1 ILE A 19 -6.083 5.488 1.094 1.00 0.00 C ATOM 0 H ILE A 19 -2.314 3.828 1.290 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.212 5.717 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.565 6.212 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.038 3.962 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.830 3.759 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.284 4.370 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.673 5.041 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.823 3.467 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.806 4.946 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.379 6.007 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.605 6.214 0.471 1.00 0.00 H new ATOM 354 N ARG A 20 -2.525 7.713 0.627 1.00 0.00 N ATOM 355 CA ARG A 20 -2.434 8.847 1.595 1.00 0.00 C ATOM 356 C ARG A 20 -3.710 9.756 1.625 1.00 0.00 C ATOM 357 O ARG A 20 -4.346 10.006 0.598 1.00 0.00 O ATOM 358 CB ARG A 20 -1.102 9.625 1.391 1.00 0.00 C ATOM 359 CG ARG A 20 -0.989 10.581 0.168 1.00 0.00 C ATOM 360 CD ARG A 20 -0.114 11.826 0.460 1.00 0.00 C ATOM 361 NE ARG A 20 -0.494 13.042 -0.320 1.00 0.00 N ATOM 362 CZ ARG A 20 -1.543 13.824 -0.043 1.00 0.00 C ATOM 363 NH1 ARG A 20 -2.532 13.452 0.729 1.00 0.00 N ATOM 364 NH2 ARG A 20 -1.594 15.014 -0.564 1.00 0.00 N ATOM 0 H ARG A 20 -2.434 7.998 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.409 8.423 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.918 10.212 2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.297 8.894 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.567 10.036 -0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.987 10.905 -0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.175 12.057 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.927 11.582 0.246 1.00 0.00 H new ATOM 0 HE ARG A 20 0.087 13.293 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.527 12.524 1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.308 14.090 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.842 15.337 -1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.386 15.625 -0.364 1.00 0.00 H new ATOM 378 N VAL A 21 -4.067 10.264 2.818 1.00 0.00 N ATOM 379 CA VAL A 21 -5.434 10.807 3.103 1.00 0.00 C ATOM 380 C VAL A 21 -5.312 12.086 4.002 1.00 0.00 C ATOM 381 O VAL A 21 -5.298 12.001 5.234 1.00 0.00 O ATOM 382 CB VAL A 21 -6.367 9.689 3.708 1.00 0.00 C ATOM 383 CG1 VAL A 21 -6.890 8.707 2.639 1.00 0.00 C ATOM 384 CG2 VAL A 21 -5.788 8.852 4.876 1.00 0.00 C ATOM 0 H VAL A 21 -3.432 10.316 3.614 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.916 11.116 2.176 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.174 10.292 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.527 7.959 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.466 9.254 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.047 8.213 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.527 8.120 5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.888 8.336 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.541 9.511 5.708 1.00 0.00 H new ATOM 394 N SER A 22 -5.187 13.284 3.397 1.00 0.00 N ATOM 395 CA SER A 22 -4.697 14.501 4.122 1.00 0.00 C ATOM 396 C SER A 22 -5.810 15.516 4.499 1.00 0.00 C ATOM 397 O SER A 22 -6.051 16.490 3.777 1.00 0.00 O ATOM 398 CB SER A 22 -3.557 15.165 3.314 1.00 0.00 C ATOM 399 OG SER A 22 -3.994 15.584 2.014 1.00 0.00 O ATOM 0 H SER A 22 -5.414 13.447 2.416 1.00 0.00 H new ATOM 0 HA SER A 22 -4.311 14.160 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.177 16.026 3.864 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.730 14.463 3.210 1.00 0.00 H new ATOM 0 HG SER A 22 -4.845 16.063 2.094 1.00 0.00 H new ATOM 405 N THR A 23 -6.476 15.268 5.641 1.00 0.00 N ATOM 406 CA THR A 23 -7.690 16.030 6.078 1.00 0.00 C ATOM 407 C THR A 23 -8.252 15.539 7.454 1.00 0.00 C ATOM 408 O THR A 23 -8.519 16.372 8.322 1.00 0.00 O ATOM 409 CB THR A 23 -8.827 16.154 4.997 1.00 0.00 C ATOM 410 OG1 THR A 23 -10.040 16.671 5.547 1.00 0.00 O ATOM 411 CG2 THR A 23 -9.186 14.851 4.273 1.00 0.00 C ATOM 0 H THR A 23 -6.199 14.537 6.296 1.00 0.00 H new ATOM 0 HA THR A 23 -7.319 17.046 6.214 1.00 0.00 H new ATOM 0 HB THR A 23 -8.390 16.840 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.718 16.733 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.978 15.043 3.550 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.307 14.469 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.528 14.114 4.999 1.00 0.00 H new ATOM 419 N GLY A 24 -8.542 14.233 7.614 1.00 0.00 N ATOM 420 CA GLY A 24 -9.527 13.754 8.624 1.00 0.00 C ATOM 421 C GLY A 24 -10.756 13.054 8.003 1.00 0.00 C ATOM 422 O GLY A 24 -10.990 11.882 8.287 1.00 0.00 O ATOM 0 H GLY A 24 -8.115 13.488 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.030 13.062 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.865 14.601 9.221 1.00 0.00 H new ATOM 426 N LYS A 25 -11.529 13.751 7.149 1.00 0.00 N ATOM 427 CA LYS A 25 -12.698 13.157 6.422 1.00 0.00 C ATOM 428 C LYS A 25 -12.377 12.007 5.403 1.00 0.00 C ATOM 429 O LYS A 25 -13.056 10.977 5.433 1.00 0.00 O ATOM 430 CB LYS A 25 -13.527 14.315 5.791 1.00 0.00 C ATOM 431 CG LYS A 25 -14.450 15.058 6.793 1.00 0.00 C ATOM 432 CD LYS A 25 -15.818 14.358 6.989 1.00 0.00 C ATOM 433 CE LYS A 25 -16.584 14.773 8.264 1.00 0.00 C ATOM 434 NZ LYS A 25 -16.102 13.979 9.427 1.00 0.00 N ATOM 0 H LYS A 25 -11.373 14.736 6.935 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.289 12.625 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.842 15.035 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.137 13.911 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.945 15.133 7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.616 16.076 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.444 14.568 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.658 13.280 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.441 15.837 8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.653 14.616 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.352 14.469 10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.548 13.039 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.069 13.873 9.371 1.00 0.00 H new ATOM 448 N GLU A 26 -11.334 12.134 4.557 1.00 0.00 N ATOM 449 CA GLU A 26 -10.714 10.976 3.840 1.00 0.00 C ATOM 450 C GLU A 26 -10.256 9.782 4.758 1.00 0.00 C ATOM 451 O GLU A 26 -10.577 8.632 4.452 1.00 0.00 O ATOM 452 CB GLU A 26 -9.509 11.455 2.985 1.00 0.00 C ATOM 453 CG GLU A 26 -9.772 12.353 1.752 1.00 0.00 C ATOM 454 CD GLU A 26 -8.505 12.764 0.999 1.00 0.00 C ATOM 455 OE1 GLU A 26 -7.507 13.183 1.633 1.00 0.00 O ATOM 456 OE2 GLU A 26 -8.513 12.679 -0.245 1.00 0.00 O ATOM 0 H GLU A 26 -10.893 13.029 4.346 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.513 10.580 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.831 11.995 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.978 10.568 2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.435 11.825 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.298 13.252 2.075 1.00 0.00 H new ATOM 463 N LEU A 27 -9.540 10.043 5.875 1.00 0.00 N ATOM 464 CA LEU A 27 -9.183 8.999 6.884 1.00 0.00 C ATOM 465 C LEU A 27 -10.402 8.313 7.589 1.00 0.00 C ATOM 466 O LEU A 27 -10.445 7.085 7.641 1.00 0.00 O ATOM 467 CB LEU A 27 -8.150 9.614 7.875 1.00 0.00 C ATOM 468 CG LEU A 27 -7.544 8.665 8.948 1.00 0.00 C ATOM 469 CD1 LEU A 27 -6.719 7.512 8.345 1.00 0.00 C ATOM 470 CD2 LEU A 27 -6.662 9.454 9.929 1.00 0.00 C ATOM 0 H LEU A 27 -9.192 10.973 6.109 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.729 8.160 6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.330 10.032 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.630 10.445 8.391 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.392 8.223 9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.325 6.888 9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.355 6.910 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.892 7.921 7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.247 8.774 10.673 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.850 9.934 9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.263 10.214 10.428 1.00 0.00 H new ATOM 482 N GLU A 28 -11.393 9.078 8.078 1.00 0.00 N ATOM 483 CA GLU A 28 -12.727 8.559 8.500 1.00 0.00 C ATOM 484 C GLU A 28 -13.460 7.657 7.443 1.00 0.00 C ATOM 485 O GLU A 28 -13.811 6.518 7.759 1.00 0.00 O ATOM 486 CB GLU A 28 -13.528 9.825 8.914 1.00 0.00 C ATOM 487 CG GLU A 28 -14.920 9.594 9.549 1.00 0.00 C ATOM 488 CD GLU A 28 -15.672 10.898 9.740 1.00 0.00 C ATOM 489 OE1 GLU A 28 -16.235 11.424 8.755 1.00 0.00 O ATOM 490 OE2 GLU A 28 -15.667 11.462 10.850 1.00 0.00 O ATOM 0 H GLU A 28 -11.300 10.087 8.197 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.622 7.855 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.923 10.394 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.657 10.449 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.503 8.927 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.803 9.097 10.512 1.00 0.00 H new ATOM 497 N ARG A 29 -13.640 8.132 6.193 1.00 0.00 N ATOM 498 CA ARG A 29 -14.171 7.305 5.066 1.00 0.00 C ATOM 499 C ARG A 29 -13.326 6.032 4.697 1.00 0.00 C ATOM 500 O ARG A 29 -13.901 4.946 4.577 1.00 0.00 O ATOM 501 CB ARG A 29 -14.416 8.230 3.836 1.00 0.00 C ATOM 502 CG ARG A 29 -15.607 9.212 3.987 1.00 0.00 C ATOM 503 CD ARG A 29 -15.851 10.082 2.736 1.00 0.00 C ATOM 504 NE ARG A 29 -17.036 10.975 2.910 1.00 0.00 N ATOM 505 CZ ARG A 29 -18.309 10.635 2.689 1.00 0.00 C ATOM 506 NH1 ARG A 29 -18.682 9.437 2.314 1.00 0.00 N ATOM 507 NH2 ARG A 29 -19.233 11.538 2.861 1.00 0.00 N ATOM 0 H ARG A 29 -13.426 9.093 5.927 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.111 6.875 5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.510 8.806 3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.587 7.606 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.511 8.643 4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.425 9.863 4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.966 10.686 2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.003 9.439 1.869 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.857 11.928 3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.985 8.706 2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -19.670 9.235 2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.977 12.480 3.158 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -20.212 11.303 2.699 1.00 0.00 H new ATOM 521 N ALA A 30 -11.989 6.143 4.557 1.00 0.00 N ATOM 522 CA ALA A 30 -11.081 4.977 4.410 1.00 0.00 C ATOM 523 C ALA A 30 -11.080 3.972 5.607 1.00 0.00 C ATOM 524 O ALA A 30 -11.344 2.794 5.379 1.00 0.00 O ATOM 525 CB ALA A 30 -9.676 5.529 4.091 1.00 0.00 C ATOM 0 H ALA A 30 -11.505 7.041 4.542 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.453 4.357 3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.977 4.700 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.713 6.105 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.344 6.172 4.906 1.00 0.00 H new ATOM 531 N LEU A 31 -10.843 4.411 6.859 1.00 0.00 N ATOM 532 CA LEU A 31 -10.934 3.538 8.068 1.00 0.00 C ATOM 533 C LEU A 31 -12.324 2.859 8.330 1.00 0.00 C ATOM 534 O LEU A 31 -12.346 1.675 8.680 1.00 0.00 O ATOM 535 CB LEU A 31 -10.416 4.369 9.276 1.00 0.00 C ATOM 536 CG LEU A 31 -10.208 3.603 10.608 1.00 0.00 C ATOM 537 CD1 LEU A 31 -8.981 2.673 10.578 1.00 0.00 C ATOM 538 CD2 LEU A 31 -10.071 4.591 11.773 1.00 0.00 C ATOM 0 H LEU A 31 -10.584 5.375 7.070 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.307 2.663 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.467 4.825 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.119 5.182 9.457 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.089 2.977 10.747 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.887 2.164 11.537 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.104 1.934 9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.083 3.261 10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.925 4.040 12.702 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.214 5.242 11.599 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.976 5.194 11.847 1.00 0.00 H new ATOM 550 N GLN A 32 -13.463 3.555 8.122 1.00 0.00 N ATOM 551 CA GLN A 32 -14.810 2.922 8.041 1.00 0.00 C ATOM 552 C GLN A 32 -14.918 1.737 7.016 1.00 0.00 C ATOM 553 O GLN A 32 -15.318 0.640 7.419 1.00 0.00 O ATOM 554 CB GLN A 32 -15.820 4.077 7.782 1.00 0.00 C ATOM 555 CG GLN A 32 -17.314 3.672 7.780 1.00 0.00 C ATOM 556 CD GLN A 32 -18.262 4.781 7.318 1.00 0.00 C ATOM 557 OE1 GLN A 32 -18.602 4.896 6.145 1.00 0.00 O ATOM 558 NE2 GLN A 32 -18.730 5.625 8.206 1.00 0.00 N ATOM 0 H GLN A 32 -13.481 4.568 8.005 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.038 2.416 8.979 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.671 4.843 8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.584 4.533 6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.443 2.805 7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.597 3.363 8.786 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -18.455 5.540 9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.369 6.366 7.918 1.00 0.00 H new ATOM 567 N GLU A 33 -14.533 1.924 5.734 1.00 0.00 N ATOM 568 CA GLU A 33 -14.385 0.786 4.780 1.00 0.00 C ATOM 569 C GLU A 33 -13.240 -0.239 5.098 1.00 0.00 C ATOM 570 O GLU A 33 -13.467 -1.416 4.842 1.00 0.00 O ATOM 571 CB GLU A 33 -14.412 1.276 3.308 1.00 0.00 C ATOM 572 CG GLU A 33 -14.510 0.161 2.214 1.00 0.00 C ATOM 573 CD GLU A 33 -15.709 -0.792 2.230 1.00 0.00 C ATOM 574 OE1 GLU A 33 -16.849 -0.326 2.042 1.00 0.00 O ATOM 575 OE2 GLU A 33 -15.526 -2.026 2.352 1.00 0.00 O ATOM 0 H GLU A 33 -14.320 2.837 5.333 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.272 0.171 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.259 1.951 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.510 1.859 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.493 0.652 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.607 -0.445 2.281 1.00 0.00 H new ATOM 582 N LEU A 34 -12.076 0.104 5.695 1.00 0.00 N ATOM 583 CA LEU A 34 -11.137 -0.911 6.287 1.00 0.00 C ATOM 584 C LEU A 34 -11.783 -1.856 7.358 1.00 0.00 C ATOM 585 O LEU A 34 -11.684 -3.076 7.217 1.00 0.00 O ATOM 586 CB LEU A 34 -9.836 -0.273 6.854 1.00 0.00 C ATOM 587 CG LEU A 34 -8.898 0.494 5.887 1.00 0.00 C ATOM 588 CD1 LEU A 34 -7.736 1.096 6.693 1.00 0.00 C ATOM 589 CD2 LEU A 34 -8.344 -0.392 4.757 1.00 0.00 C ATOM 0 H LEU A 34 -11.754 1.068 5.786 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.876 -1.539 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.125 0.415 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.253 -1.069 7.318 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.487 1.277 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.070 1.638 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.130 1.781 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.183 0.297 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.695 0.202 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.774 -1.216 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.171 -0.791 4.169 1.00 0.00 H new ATOM 601 N GLU A 35 -12.486 -1.310 8.369 1.00 0.00 N ATOM 602 CA GLU A 35 -13.375 -2.089 9.291 1.00 0.00 C ATOM 603 C GLU A 35 -14.368 -3.079 8.578 1.00 0.00 C ATOM 604 O GLU A 35 -14.350 -4.288 8.836 1.00 0.00 O ATOM 605 CB GLU A 35 -14.094 -1.043 10.199 1.00 0.00 C ATOM 606 CG GLU A 35 -14.584 -1.510 11.593 1.00 0.00 C ATOM 607 CD GLU A 35 -15.709 -2.532 11.648 1.00 0.00 C ATOM 608 OE1 GLU A 35 -16.855 -2.189 11.302 1.00 0.00 O ATOM 609 OE2 GLU A 35 -15.477 -3.647 12.165 1.00 0.00 O ATOM 0 H GLU A 35 -12.462 -0.313 8.581 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.767 -2.772 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.414 -0.204 10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.956 -0.661 9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.729 -1.926 12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.906 -0.628 12.147 1.00 0.00 H new ATOM 616 N LYS A 36 -15.152 -2.572 7.607 1.00 0.00 N ATOM 617 CA LYS A 36 -15.981 -3.403 6.692 1.00 0.00 C ATOM 618 C LYS A 36 -15.165 -4.432 5.820 1.00 0.00 C ATOM 619 O LYS A 36 -15.482 -5.621 5.857 1.00 0.00 O ATOM 620 CB LYS A 36 -16.855 -2.437 5.836 1.00 0.00 C ATOM 621 CG LYS A 36 -17.942 -1.605 6.581 1.00 0.00 C ATOM 622 CD LYS A 36 -18.252 -0.231 5.936 1.00 0.00 C ATOM 623 CE LYS A 36 -18.739 -0.222 4.472 1.00 0.00 C ATOM 624 NZ LYS A 36 -20.210 -0.399 4.399 1.00 0.00 N ATOM 0 H LYS A 36 -15.233 -1.571 7.429 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.616 -4.052 7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.188 -1.741 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.351 -3.026 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.862 -2.188 6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.618 -1.445 7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.009 0.263 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.350 0.378 5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.459 0.718 3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.245 -1.019 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.512 -0.389 3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.472 -1.308 4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -20.679 0.376 4.910 1.00 0.00 H new ATOM 638 N ALA A 37 -14.129 -4.009 5.066 1.00 0.00 N ATOM 639 CA ALA A 37 -13.215 -4.894 4.290 1.00 0.00 C ATOM 640 C ALA A 37 -12.470 -6.031 5.060 1.00 0.00 C ATOM 641 O ALA A 37 -12.410 -7.149 4.545 1.00 0.00 O ATOM 642 CB ALA A 37 -12.222 -3.975 3.553 1.00 0.00 C ATOM 0 H ALA A 37 -13.894 -3.021 4.973 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.851 -5.473 3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.530 -4.581 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.769 -3.307 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.663 -3.386 4.280 1.00 0.00 H new ATOM 648 N LEU A 38 -11.947 -5.787 6.280 1.00 0.00 N ATOM 649 CA LEU A 38 -11.404 -6.861 7.170 1.00 0.00 C ATOM 650 C LEU A 38 -12.404 -8.032 7.494 1.00 0.00 C ATOM 651 O LEU A 38 -12.026 -9.202 7.363 1.00 0.00 O ATOM 652 CB LEU A 38 -10.774 -6.207 8.443 1.00 0.00 C ATOM 653 CG LEU A 38 -9.267 -5.815 8.375 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.896 -4.805 7.275 1.00 0.00 C ATOM 655 CD2 LEU A 38 -8.793 -5.275 9.734 1.00 0.00 C ATOM 0 H LEU A 38 -11.885 -4.852 6.683 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.622 -7.375 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.346 -5.309 8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.906 -6.897 9.277 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.756 -6.742 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.826 -4.601 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.151 -5.220 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.448 -3.878 7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.739 -5.006 9.671 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.377 -4.394 9.999 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.926 -6.042 10.497 1.00 0.00 H new ATOM 667 N ALA A 39 -13.671 -7.725 7.839 1.00 0.00 N ATOM 668 CA ALA A 39 -14.770 -8.728 7.872 1.00 0.00 C ATOM 669 C ALA A 39 -15.252 -9.282 6.481 1.00 0.00 C ATOM 670 O ALA A 39 -15.368 -10.500 6.335 1.00 0.00 O ATOM 671 CB ALA A 39 -15.912 -8.092 8.690 1.00 0.00 C ATOM 0 H ALA A 39 -13.966 -6.785 8.102 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.388 -9.637 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.749 -8.787 8.747 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.558 -7.867 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.237 -7.171 8.206 1.00 0.00 H new ATOM 677 N ARG A 40 -15.513 -8.427 5.467 1.00 0.00 N ATOM 678 CA ARG A 40 -15.896 -8.856 4.082 1.00 0.00 C ATOM 679 C ARG A 40 -14.901 -9.807 3.336 1.00 0.00 C ATOM 680 O ARG A 40 -15.323 -10.846 2.823 1.00 0.00 O ATOM 681 CB ARG A 40 -16.224 -7.578 3.243 1.00 0.00 C ATOM 682 CG ARG A 40 -17.685 -7.057 3.331 1.00 0.00 C ATOM 683 CD ARG A 40 -17.886 -5.525 3.465 1.00 0.00 C ATOM 684 NE ARG A 40 -17.192 -4.619 2.493 1.00 0.00 N ATOM 685 CZ ARG A 40 -17.551 -4.401 1.231 1.00 0.00 C ATOM 686 NH1 ARG A 40 -18.472 -5.094 0.617 1.00 0.00 N ATOM 687 NH2 ARG A 40 -16.947 -3.449 0.582 1.00 0.00 N ATOM 0 H ARG A 40 -15.467 -7.414 5.576 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.772 -9.494 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.555 -6.778 3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.997 -7.787 2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.216 -7.390 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.163 -7.536 4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.955 -5.325 3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.571 -5.237 4.468 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.367 -4.123 2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.956 -5.846 1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.707 -4.883 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.223 -2.897 1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.197 -3.254 -0.387 1.00 0.00 H new ATOM 701 N ALA A 41 -13.608 -9.459 3.264 1.00 0.00 N ATOM 702 CA ALA A 41 -12.565 -10.338 2.666 1.00 0.00 C ATOM 703 C ALA A 41 -12.022 -11.528 3.531 1.00 0.00 C ATOM 704 O ALA A 41 -11.420 -12.444 2.964 1.00 0.00 O ATOM 705 CB ALA A 41 -11.421 -9.396 2.242 1.00 0.00 C ATOM 0 H ALA A 41 -13.247 -8.571 3.612 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.036 -10.875 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.617 -9.979 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.795 -8.674 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.041 -8.868 3.117 1.00 0.00 H new ATOM 711 N GLY A 42 -12.180 -11.518 4.871 1.00 0.00 N ATOM 712 CA GLY A 42 -11.547 -12.524 5.768 1.00 0.00 C ATOM 713 C GLY A 42 -10.040 -12.301 6.018 1.00 0.00 C ATOM 714 O GLY A 42 -9.209 -13.117 5.609 1.00 0.00 O ATOM 0 H GLY A 42 -12.742 -10.824 5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.066 -12.515 6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.688 -13.515 5.338 1.00 0.00 H new ATOM 718 N ALA A 43 -9.685 -11.187 6.678 1.00 0.00 N ATOM 719 CA ALA A 43 -8.277 -10.735 6.754 1.00 0.00 C ATOM 720 C ALA A 43 -7.497 -11.353 7.957 1.00 0.00 C ATOM 721 O ALA A 43 -7.462 -10.817 9.070 1.00 0.00 O ATOM 722 CB ALA A 43 -8.332 -9.203 6.764 1.00 0.00 C ATOM 0 H ALA A 43 -10.346 -10.582 7.166 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.702 -11.087 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.320 -8.803 6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.812 -8.850 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.903 -8.865 7.629 1.00 0.00 H new ATOM 728 N ARG A 44 -6.861 -12.503 7.694 1.00 0.00 N ATOM 729 CA ARG A 44 -6.139 -13.305 8.724 1.00 0.00 C ATOM 730 C ARG A 44 -4.889 -12.638 9.404 1.00 0.00 C ATOM 731 O ARG A 44 -4.707 -12.784 10.617 1.00 0.00 O ATOM 732 CB ARG A 44 -5.787 -14.642 8.006 1.00 0.00 C ATOM 733 CG ARG A 44 -5.194 -15.756 8.900 1.00 0.00 C ATOM 734 CD ARG A 44 -4.666 -16.942 8.069 1.00 0.00 C ATOM 735 NE ARG A 44 -4.114 -17.997 8.966 1.00 0.00 N ATOM 736 CZ ARG A 44 -4.775 -19.069 9.407 1.00 0.00 C ATOM 737 NH1 ARG A 44 -6.028 -19.320 9.115 1.00 0.00 N ATOM 738 NH2 ARG A 44 -4.144 -19.911 10.171 1.00 0.00 N ATOM 0 H ARG A 44 -6.825 -12.915 6.762 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.787 -13.430 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.691 -15.026 7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.076 -14.427 7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.383 -15.345 9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.957 -16.110 9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.471 -17.356 7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.893 -16.598 7.382 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.146 -17.890 9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.551 -18.678 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.479 -20.157 9.483 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.169 -19.743 10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.624 -20.739 10.523 1.00 0.00 H new ATOM 752 N ASN A 45 -4.012 -11.989 8.619 1.00 0.00 N ATOM 753 CA ASN A 45 -2.699 -11.477 9.105 1.00 0.00 C ATOM 754 C ASN A 45 -2.503 -10.043 8.525 1.00 0.00 C ATOM 755 O ASN A 45 -2.210 -9.902 7.334 1.00 0.00 O ATOM 756 CB ASN A 45 -1.546 -12.418 8.651 1.00 0.00 C ATOM 757 CG ASN A 45 -1.586 -13.887 9.094 1.00 0.00 C ATOM 758 OD1 ASN A 45 -1.692 -14.221 10.269 1.00 0.00 O ATOM 759 ND2 ASN A 45 -1.465 -14.812 8.170 1.00 0.00 N ATOM 0 H ASN A 45 -4.183 -11.800 7.631 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.684 -11.446 10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.513 -12.400 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.609 -11.990 9.006 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.460 -15.798 8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.376 -14.545 7.190 1.00 0.00 H new ATOM 766 N VAL A 46 -2.696 -8.981 9.322 1.00 0.00 N ATOM 767 CA VAL A 46 -2.816 -7.587 8.785 1.00 0.00 C ATOM 768 C VAL A 46 -1.751 -6.685 9.476 1.00 0.00 C ATOM 769 O VAL A 46 -1.858 -6.410 10.676 1.00 0.00 O ATOM 770 CB VAL A 46 -4.267 -6.997 8.938 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.459 -5.694 8.122 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.410 -7.952 8.532 1.00 0.00 C ATOM 0 H VAL A 46 -2.774 -9.044 10.337 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.627 -7.616 7.712 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.337 -6.813 10.010 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.475 -5.325 8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.750 -4.941 8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.287 -5.898 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.369 -7.453 8.674 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.297 -8.230 7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.373 -8.848 9.151 1.00 0.00 H new ATOM 782 N GLN A 47 -0.767 -6.161 8.719 1.00 0.00 N ATOM 783 CA GLN A 47 0.054 -5.003 9.187 1.00 0.00 C ATOM 784 C GLN A 47 -0.628 -3.661 8.781 1.00 0.00 C ATOM 785 O GLN A 47 -0.785 -3.358 7.594 1.00 0.00 O ATOM 786 CB GLN A 47 1.559 -5.126 8.800 1.00 0.00 C ATOM 787 CG GLN A 47 1.942 -5.250 7.299 1.00 0.00 C ATOM 788 CD GLN A 47 2.457 -4.021 6.519 1.00 0.00 C ATOM 789 OE1 GLN A 47 3.441 -4.090 5.788 1.00 0.00 O ATOM 790 NE2 GLN A 47 1.788 -2.897 6.539 1.00 0.00 N ATOM 0 H GLN A 47 -0.516 -6.508 7.793 1.00 0.00 H new ATOM 0 HA GLN A 47 0.082 -5.012 10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.074 -4.253 9.200 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.961 -5.998 9.316 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.707 -6.022 7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.063 -5.621 6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.965 -2.804 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.089 -2.114 5.959 1.00 0.00 H new ATOM 799 N ILE A 48 -1.020 -2.859 9.783 1.00 0.00 N ATOM 800 CA ILE A 48 -1.540 -1.479 9.571 1.00 0.00 C ATOM 801 C ILE A 48 -0.333 -0.532 9.842 1.00 0.00 C ATOM 802 O ILE A 48 -0.034 -0.257 11.009 1.00 0.00 O ATOM 803 CB ILE A 48 -2.778 -1.168 10.497 1.00 0.00 C ATOM 804 CG1 ILE A 48 -4.037 -2.059 10.268 1.00 0.00 C ATOM 805 CG2 ILE A 48 -3.205 0.321 10.380 1.00 0.00 C ATOM 806 CD1 ILE A 48 -4.005 -3.428 10.973 1.00 0.00 C ATOM 0 H ILE A 48 -0.990 -3.138 10.764 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.920 -1.343 8.558 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.411 -1.402 11.496 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.917 -1.513 10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.158 -2.222 9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.061 0.506 11.029 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.376 0.962 10.680 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.478 0.541 9.348 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.923 -3.972 10.753 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.149 -4.001 10.616 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.920 -3.281 12.050 1.00 0.00 H new ATOM 818 N THR A 49 0.339 -0.025 8.791 1.00 0.00 N ATOM 819 CA THR A 49 1.438 0.966 8.955 1.00 0.00 C ATOM 820 C THR A 49 0.863 2.381 8.680 1.00 0.00 C ATOM 821 O THR A 49 0.574 2.737 7.531 1.00 0.00 O ATOM 822 CB THR A 49 2.688 0.609 8.097 1.00 0.00 C ATOM 823 OG1 THR A 49 3.176 -0.683 8.441 1.00 0.00 O ATOM 824 CG2 THR A 49 3.880 1.564 8.305 1.00 0.00 C ATOM 0 H THR A 49 0.147 -0.279 7.822 1.00 0.00 H new ATOM 0 HA THR A 49 1.812 0.945 9.979 1.00 0.00 H new ATOM 0 HB THR A 49 2.339 0.675 7.066 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.960 -0.893 7.892 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.712 1.251 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.584 2.579 8.038 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.188 1.539 9.350 1.00 0.00 H new ATOM 832 N ILE A 50 0.698 3.175 9.753 1.00 0.00 N ATOM 833 CA ILE A 50 0.212 4.578 9.647 1.00 0.00 C ATOM 834 C ILE A 50 1.411 5.568 9.818 1.00 0.00 C ATOM 835 O ILE A 50 2.048 5.597 10.878 1.00 0.00 O ATOM 836 CB ILE A 50 -1.042 4.818 10.562 1.00 0.00 C ATOM 837 CG1 ILE A 50 -1.908 5.996 10.041 1.00 0.00 C ATOM 838 CG2 ILE A 50 -0.716 4.983 12.070 1.00 0.00 C ATOM 839 CD1 ILE A 50 -3.362 6.023 10.544 1.00 0.00 C ATOM 0 H ILE A 50 0.892 2.876 10.709 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.174 4.783 8.648 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.623 3.899 10.493 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.426 6.932 10.325 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.919 5.961 8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.639 5.144 12.626 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.224 4.082 12.437 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.055 5.839 12.208 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.878 6.885 10.120 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.870 5.109 10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.369 6.094 11.632 1.00 0.00 H new ATOM 851 N SER A 51 1.725 6.360 8.776 1.00 0.00 N ATOM 852 CA SER A 51 2.834 7.357 8.834 1.00 0.00 C ATOM 853 C SER A 51 2.273 8.793 9.067 1.00 0.00 C ATOM 854 O SER A 51 1.680 9.396 8.165 1.00 0.00 O ATOM 855 CB SER A 51 3.700 7.241 7.562 1.00 0.00 C ATOM 856 OG SER A 51 4.933 7.940 7.733 1.00 0.00 O ATOM 0 H SER A 51 1.234 6.337 7.882 1.00 0.00 H new ATOM 0 HA SER A 51 3.480 7.145 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.897 6.192 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.159 7.649 6.708 1.00 0.00 H new ATOM 0 HG SER A 51 5.472 7.856 6.919 1.00 0.00 H new ATOM 862 N ALA A 52 2.451 9.316 10.293 1.00 0.00 N ATOM 863 CA ALA A 52 1.949 10.660 10.694 1.00 0.00 C ATOM 864 C ALA A 52 3.027 11.796 10.622 1.00 0.00 C ATOM 865 O ALA A 52 4.230 11.546 10.468 1.00 0.00 O ATOM 866 CB ALA A 52 1.390 10.461 12.119 1.00 0.00 C ATOM 0 H ALA A 52 2.945 8.827 11.039 1.00 0.00 H new ATOM 0 HA ALA A 52 1.189 11.012 9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.998 11.407 12.492 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.590 9.721 12.096 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.187 10.114 12.777 1.00 0.00 H new ATOM 872 N GLU A 53 2.596 13.066 10.761 1.00 0.00 N ATOM 873 CA GLU A 53 3.530 14.232 10.884 1.00 0.00 C ATOM 874 C GLU A 53 4.185 14.399 12.296 1.00 0.00 C ATOM 875 O GLU A 53 5.392 14.654 12.371 1.00 0.00 O ATOM 876 CB GLU A 53 2.851 15.548 10.410 1.00 0.00 C ATOM 877 CG GLU A 53 2.488 15.598 8.904 1.00 0.00 C ATOM 878 CD GLU A 53 1.985 16.920 8.354 1.00 0.00 C ATOM 879 OE1 GLU A 53 1.103 17.553 8.968 1.00 0.00 O ATOM 880 OE2 GLU A 53 2.449 17.293 7.256 1.00 0.00 O ATOM 0 H GLU A 53 1.609 13.323 10.792 1.00 0.00 H new ATOM 0 HA GLU A 53 4.361 14.005 10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.942 15.699 10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.515 16.382 10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.371 15.310 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.726 14.842 8.715 1.00 0.00 H new ATOM 887 N ASN A 54 3.417 14.264 13.394 1.00 0.00 N ATOM 888 CA ASN A 54 3.947 14.366 14.786 1.00 0.00 C ATOM 889 C ASN A 54 4.000 12.975 15.503 1.00 0.00 C ATOM 890 O ASN A 54 3.183 12.080 15.252 1.00 0.00 O ATOM 891 CB ASN A 54 3.079 15.354 15.623 1.00 0.00 C ATOM 892 CG ASN A 54 2.932 16.797 15.142 1.00 0.00 C ATOM 893 OD1 ASN A 54 1.870 17.232 14.711 1.00 0.00 O ATOM 894 ND2 ASN A 54 3.963 17.592 15.233 1.00 0.00 N ATOM 0 H ASN A 54 2.414 14.082 13.352 1.00 0.00 H new ATOM 0 HA ASN A 54 4.968 14.741 14.713 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.078 14.929 15.701 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.492 15.383 16.631 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.882 18.568 14.947 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.850 17.238 15.591 1.00 0.00 H new ATOM 901 N ASP A 55 4.912 12.840 16.487 1.00 0.00 N ATOM 902 CA ASP A 55 4.895 11.710 17.469 1.00 0.00 C ATOM 903 C ASP A 55 3.589 11.649 18.347 1.00 0.00 C ATOM 904 O ASP A 55 2.958 10.591 18.420 1.00 0.00 O ATOM 905 CB ASP A 55 6.219 11.789 18.279 1.00 0.00 C ATOM 906 CG ASP A 55 6.598 10.516 19.037 1.00 0.00 C ATOM 907 OD1 ASP A 55 6.062 10.287 20.142 1.00 0.00 O ATOM 908 OD2 ASP A 55 7.450 9.750 18.534 1.00 0.00 O ATOM 0 H ASP A 55 5.678 13.498 16.632 1.00 0.00 H new ATOM 0 HA ASP A 55 4.853 10.756 16.943 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.030 12.040 17.595 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.140 12.608 18.994 1.00 0.00 H new ATOM 913 N GLU A 56 3.114 12.790 18.900 1.00 0.00 N ATOM 914 CA GLU A 56 1.755 12.909 19.511 1.00 0.00 C ATOM 915 C GLU A 56 0.538 12.504 18.595 1.00 0.00 C ATOM 916 O GLU A 56 -0.372 11.828 19.079 1.00 0.00 O ATOM 917 CB GLU A 56 1.561 14.332 20.114 1.00 0.00 C ATOM 918 CG GLU A 56 2.487 14.751 21.294 1.00 0.00 C ATOM 919 CD GLU A 56 2.361 13.953 22.586 1.00 0.00 C ATOM 920 OE1 GLU A 56 1.255 13.864 23.165 1.00 0.00 O ATOM 921 OE2 GLU A 56 3.373 13.390 23.054 1.00 0.00 O ATOM 0 H GLU A 56 3.654 13.654 18.939 1.00 0.00 H new ATOM 0 HA GLU A 56 1.739 12.155 20.298 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.692 15.057 19.311 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.528 14.415 20.453 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.521 14.685 20.954 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.293 15.799 21.522 1.00 0.00 H new ATOM 928 N GLN A 57 0.542 12.831 17.281 1.00 0.00 N ATOM 929 CA GLN A 57 -0.420 12.240 16.296 1.00 0.00 C ATOM 930 C GLN A 57 -0.358 10.675 16.187 1.00 0.00 C ATOM 931 O GLN A 57 -1.388 10.018 16.344 1.00 0.00 O ATOM 932 CB GLN A 57 -0.228 12.868 14.884 1.00 0.00 C ATOM 933 CG GLN A 57 -0.716 14.320 14.657 1.00 0.00 C ATOM 934 CD GLN A 57 -0.549 14.779 13.195 1.00 0.00 C ATOM 935 OE1 GLN A 57 -0.865 14.073 12.242 1.00 0.00 O ATOM 936 NE2 GLN A 57 -0.044 15.961 12.949 1.00 0.00 N ATOM 0 H GLN A 57 1.195 13.498 16.871 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.408 12.484 16.687 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.835 12.833 14.646 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.738 12.229 14.163 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.766 14.395 14.940 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.161 14.993 15.311 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.228 16.570 13.721 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.078 16.273 11.986 1.00 0.00 H new ATOM 945 N ALA A 58 0.827 10.081 15.939 1.00 0.00 N ATOM 946 CA ALA A 58 1.034 8.605 15.995 1.00 0.00 C ATOM 947 C ALA A 58 0.677 7.881 17.343 1.00 0.00 C ATOM 948 O ALA A 58 0.030 6.832 17.322 1.00 0.00 O ATOM 949 CB ALA A 58 2.494 8.389 15.558 1.00 0.00 C ATOM 0 H ALA A 58 1.669 10.602 15.694 1.00 0.00 H new ATOM 0 HA ALA A 58 0.314 8.125 15.332 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.725 7.324 15.573 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.633 8.776 14.548 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.160 8.914 16.243 1.00 0.00 H new ATOM 955 N LYS A 59 1.038 8.459 18.500 1.00 0.00 N ATOM 956 CA LYS A 59 0.498 8.097 19.846 1.00 0.00 C ATOM 957 C LYS A 59 -1.071 8.057 19.974 1.00 0.00 C ATOM 958 O LYS A 59 -1.615 7.041 20.415 1.00 0.00 O ATOM 959 CB LYS A 59 1.194 9.132 20.774 1.00 0.00 C ATOM 960 CG LYS A 59 0.928 9.094 22.295 1.00 0.00 C ATOM 961 CD LYS A 59 1.514 10.376 22.929 1.00 0.00 C ATOM 962 CE LYS A 59 1.250 10.529 24.431 1.00 0.00 C ATOM 963 NZ LYS A 59 1.785 11.858 24.832 1.00 0.00 N ATOM 0 H LYS A 59 1.728 9.209 18.540 1.00 0.00 H new ATOM 0 HA LYS A 59 0.718 7.062 20.107 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.269 9.029 20.628 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.918 10.125 20.419 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.142 9.030 22.491 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.386 8.209 22.737 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.591 10.388 22.761 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.101 11.242 22.412 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.183 10.462 24.644 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.738 9.732 24.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.750 11.948 25.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.770 11.947 24.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.210 12.609 24.399 1.00 0.00 H new ATOM 977 N GLU A 60 -1.792 9.121 19.562 1.00 0.00 N ATOM 978 CA GLU A 60 -3.287 9.113 19.455 1.00 0.00 C ATOM 979 C GLU A 60 -3.882 8.114 18.399 1.00 0.00 C ATOM 980 O GLU A 60 -4.837 7.390 18.701 1.00 0.00 O ATOM 981 CB GLU A 60 -3.793 10.560 19.196 1.00 0.00 C ATOM 982 CG GLU A 60 -3.573 11.574 20.348 1.00 0.00 C ATOM 983 CD GLU A 60 -4.205 12.933 20.100 1.00 0.00 C ATOM 984 OE1 GLU A 60 -3.611 13.751 19.366 1.00 0.00 O ATOM 985 OE2 GLU A 60 -5.296 13.191 20.650 1.00 0.00 O ATOM 0 H GLU A 60 -1.369 10.009 19.293 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.652 8.739 20.411 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.298 10.942 18.303 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.860 10.517 18.976 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.981 11.157 21.269 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.502 11.705 20.504 1.00 0.00 H new ATOM 992 N LEU A 61 -3.308 8.042 17.181 1.00 0.00 N ATOM 993 CA LEU A 61 -3.639 6.991 16.174 1.00 0.00 C ATOM 994 C LEU A 61 -3.386 5.506 16.622 1.00 0.00 C ATOM 995 O LEU A 61 -4.180 4.640 16.253 1.00 0.00 O ATOM 996 CB LEU A 61 -2.921 7.324 14.833 1.00 0.00 C ATOM 997 CG LEU A 61 -3.368 8.616 14.087 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.345 9.004 13.005 1.00 0.00 C ATOM 999 CD2 LEU A 61 -4.763 8.480 13.451 1.00 0.00 C ATOM 0 H LEU A 61 -2.603 8.705 16.860 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.721 7.026 16.048 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.852 7.402 15.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.058 6.480 14.158 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.422 9.402 14.840 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.678 9.909 12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.375 9.184 13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.256 8.194 12.281 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.024 9.409 12.944 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.756 7.663 12.730 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.498 8.271 14.228 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.357 5.200 17.443 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.218 3.889 18.145 1.00 0.00 C ATOM 1013 C LEU A 62 -3.443 3.461 19.024 1.00 0.00 C ATOM 1014 O LEU A 62 -3.978 2.375 18.787 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.858 3.903 18.906 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.478 2.645 19.731 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.490 1.349 18.906 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.899 2.825 20.394 1.00 0.00 C ATOM 0 H LEU A 62 -1.596 5.849 17.643 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.215 3.096 17.397 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.067 4.076 18.176 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.861 4.758 19.582 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.248 2.544 20.496 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.215 0.509 19.544 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.488 1.185 18.500 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.225 1.432 18.088 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.146 1.932 20.968 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.655 2.983 19.625 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.872 3.688 21.060 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.918 4.303 19.967 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.268 4.147 20.608 1.00 0.00 C ATOM 1032 C GLU A 63 -6.444 3.924 19.595 1.00 0.00 C ATOM 1033 O GLU A 63 -7.113 2.888 19.645 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.462 5.336 21.607 1.00 0.00 C ATOM 1035 CG GLU A 63 -6.896 5.744 22.068 1.00 0.00 C ATOM 1036 CD GLU A 63 -7.838 4.734 22.717 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -7.471 3.566 22.961 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -8.991 5.135 22.982 1.00 0.00 O ATOM 0 H GLU A 63 -3.393 5.106 20.312 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.300 3.214 21.170 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.888 5.103 22.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.004 6.216 21.156 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.781 6.569 22.771 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.410 6.141 21.193 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.650 4.851 18.643 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.738 4.756 17.631 1.00 0.00 C ATOM 1047 C LEU A 64 -7.727 3.467 16.733 1.00 0.00 C ATOM 1048 O LEU A 64 -8.769 2.814 16.607 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.731 6.110 16.860 1.00 0.00 C ATOM 1050 CG LEU A 64 -9.010 6.583 16.122 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -9.349 5.740 14.886 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -10.231 6.705 17.050 1.00 0.00 C ATOM 0 H LEU A 64 -6.074 5.687 18.546 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.696 4.611 18.130 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.460 6.889 17.573 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.930 6.060 16.123 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.765 7.585 15.769 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.255 6.127 14.419 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.525 5.789 14.175 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.509 4.704 15.185 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.094 7.040 16.474 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.447 5.734 17.496 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.018 7.427 17.838 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.570 3.056 16.171 1.00 0.00 N ATOM 1065 CA ILE A 65 -6.432 1.733 15.488 1.00 0.00 C ATOM 1066 C ILE A 65 -6.577 0.527 16.494 1.00 0.00 C ATOM 1067 O ILE A 65 -7.434 -0.320 16.252 1.00 0.00 O ATOM 1068 CB ILE A 65 -5.141 1.604 14.600 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.808 2.767 13.620 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -5.180 0.301 13.752 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -3.320 2.792 13.205 1.00 0.00 C ATOM 0 H ILE A 65 -5.715 3.613 16.172 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.269 1.683 14.792 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.357 1.615 15.357 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.428 2.673 12.728 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.066 3.717 14.089 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.276 0.234 13.146 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.237 -0.563 14.414 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.054 0.317 13.100 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.147 3.623 12.522 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.697 2.915 14.091 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.065 1.856 12.709 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.789 0.407 17.589 1.00 0.00 N ATOM 1084 CA ALA A 66 -5.935 -0.710 18.577 1.00 0.00 C ATOM 1085 C ALA A 66 -7.359 -0.948 19.185 1.00 0.00 C ATOM 1086 O ALA A 66 -7.826 -2.090 19.228 1.00 0.00 O ATOM 1087 CB ALA A 66 -4.858 -0.525 19.662 1.00 0.00 C ATOM 0 H ALA A 66 -5.044 1.065 17.818 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.790 -1.633 18.016 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.940 -1.326 20.397 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.870 -0.554 19.203 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.000 0.436 20.156 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.069 0.126 19.563 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.522 0.098 19.890 1.00 0.00 C ATOM 1095 C ARG A 67 -10.476 -0.406 18.743 1.00 0.00 C ATOM 1096 O ARG A 67 -11.388 -1.194 19.015 1.00 0.00 O ATOM 1097 CB ARG A 67 -9.798 1.541 20.389 1.00 0.00 C ATOM 1098 CG ARG A 67 -11.144 1.812 21.093 1.00 0.00 C ATOM 1099 CD ARG A 67 -11.061 3.164 21.823 1.00 0.00 C ATOM 1100 NE ARG A 67 -12.353 3.572 22.421 1.00 0.00 N ATOM 1101 CZ ARG A 67 -12.530 4.681 23.144 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -11.562 5.500 23.497 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -13.740 4.974 23.525 1.00 0.00 N ATOM 0 H ARG A 67 -7.655 1.054 19.654 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.752 -0.657 20.642 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.999 1.817 21.077 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.727 2.211 19.532 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.954 1.826 20.364 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.366 1.014 21.801 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.306 3.103 22.607 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.732 3.931 21.122 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.160 2.967 22.271 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.601 5.305 23.216 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.773 6.330 24.051 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.517 4.364 23.270 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.911 5.814 24.078 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.242 -0.024 17.468 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.855 -0.700 16.285 1.00 0.00 C ATOM 1119 C LEU A 68 -10.499 -2.223 16.122 1.00 0.00 C ATOM 1120 O LEU A 68 -11.406 -3.036 15.962 1.00 0.00 O ATOM 1121 CB LEU A 68 -10.483 0.134 15.025 1.00 0.00 C ATOM 1122 CG LEU A 68 -11.239 -0.250 13.717 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -11.975 0.956 13.120 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -10.287 -0.848 12.664 1.00 0.00 C ATOM 0 H LEU A 68 -9.630 0.754 17.223 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.934 -0.725 16.435 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.673 1.186 15.238 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.412 0.033 14.848 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.972 -1.008 13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.491 0.653 12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.701 1.332 13.841 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.256 1.741 12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.851 -1.103 11.767 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.517 -0.118 12.413 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.818 -1.746 13.066 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.211 -2.602 16.175 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.730 -4.021 16.091 1.00 0.00 C ATOM 1138 C LEU A 69 -9.282 -5.002 17.181 1.00 0.00 C ATOM 1139 O LEU A 69 -9.718 -6.108 16.846 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.177 -3.988 16.097 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.474 -3.190 14.963 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -4.989 -2.985 15.305 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.677 -3.795 13.571 1.00 0.00 C ATOM 0 H LEU A 69 -8.450 -1.931 16.279 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.130 -4.438 15.167 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.853 -3.574 17.052 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.818 -5.016 16.058 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.954 -2.213 14.909 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.505 -2.425 14.505 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.904 -2.430 16.239 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.504 -3.955 15.414 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.159 -3.186 12.830 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.276 -4.808 13.553 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.741 -3.822 13.338 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.333 -4.577 18.460 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.177 -5.217 19.516 1.00 0.00 C ATOM 1157 C GLN A 70 -11.692 -5.412 19.143 1.00 0.00 C ATOM 1158 O GLN A 70 -12.233 -6.504 19.329 1.00 0.00 O ATOM 1159 CB GLN A 70 -10.048 -4.364 20.813 1.00 0.00 C ATOM 1160 CG GLN A 70 -8.654 -4.335 21.497 1.00 0.00 C ATOM 1161 CD GLN A 70 -8.482 -3.252 22.575 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -9.316 -2.383 22.812 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -7.361 -3.254 23.251 1.00 0.00 N ATOM 0 H GLN A 70 -8.794 -3.781 18.800 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.800 -6.231 19.648 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.331 -3.339 20.575 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.774 -4.735 21.537 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.467 -5.309 21.949 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.893 -4.188 20.731 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.656 -3.968 23.068 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.192 -2.541 23.961 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.351 -4.374 18.590 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.723 -4.476 18.015 1.00 0.00 C ATOM 1174 C LYS A 71 -13.894 -5.298 16.675 1.00 0.00 C ATOM 1175 O LYS A 71 -15.022 -5.691 16.362 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.241 -3.012 17.914 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.773 -2.856 17.708 1.00 0.00 C ATOM 1178 CD LYS A 71 -16.194 -1.902 16.568 1.00 0.00 C ATOM 1179 CE LYS A 71 -15.722 -2.255 15.140 1.00 0.00 C ATOM 1180 NZ LYS A 71 -16.187 -3.592 14.675 1.00 0.00 N ATOM 0 H LYS A 71 -11.953 -3.437 18.526 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.327 -5.093 18.679 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.959 -2.482 18.824 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.729 -2.520 17.087 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.198 -3.840 17.511 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.213 -2.499 18.639 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.283 -1.846 16.560 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.825 -0.905 16.809 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.081 -1.493 14.448 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.633 -2.226 15.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.767 -3.802 13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.895 -4.318 15.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.224 -3.590 14.593 1.00 0.00 H new ATOM 1194 N LEU A 72 -12.840 -5.573 15.880 1.00 0.00 N ATOM 1195 CA LEU A 72 -12.846 -6.670 14.861 1.00 0.00 C ATOM 1196 C LEU A 72 -12.770 -8.099 15.504 1.00 0.00 C ATOM 1197 O LEU A 72 -13.665 -8.915 15.269 1.00 0.00 O ATOM 1198 CB LEU A 72 -11.707 -6.475 13.805 1.00 0.00 C ATOM 1199 CG LEU A 72 -11.917 -5.545 12.584 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -13.065 -6.003 11.669 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -12.076 -4.071 12.964 1.00 0.00 C ATOM 0 H LEU A 72 -11.963 -5.053 15.916 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.806 -6.604 14.349 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.831 -6.110 14.341 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.455 -7.462 13.418 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.992 -5.629 12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.162 -5.311 10.832 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.852 -7.003 11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.996 -6.021 12.235 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.219 -3.476 12.062 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.941 -3.955 13.617 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.181 -3.731 13.484 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.707 -8.407 16.274 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.497 -9.747 16.877 1.00 0.00 C ATOM 1215 C GLY A 73 -10.154 -10.388 16.477 1.00 0.00 C ATOM 1216 O GLY A 73 -10.115 -11.261 15.607 1.00 0.00 O ATOM 0 H GLY A 73 -10.969 -7.739 16.497 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.542 -9.661 17.963 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.311 -10.406 16.575 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.059 -9.959 17.123 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.681 -10.434 16.803 1.00 0.00 C ATOM 1222 C TYR A 74 -6.930 -10.809 18.118 1.00 0.00 C ATOM 1223 O TYR A 74 -6.842 -9.997 19.045 1.00 0.00 O ATOM 1224 CB TYR A 74 -6.911 -9.335 16.013 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.280 -9.204 14.523 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -6.633 -10.009 13.575 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -8.231 -8.275 14.096 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -6.951 -9.892 12.222 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -8.553 -8.169 12.743 1.00 0.00 C ATOM 1230 CZ TYR A 74 -7.915 -8.983 11.809 1.00 0.00 C ATOM 1231 OH TYR A 74 -8.254 -8.885 10.484 1.00 0.00 O ATOM 0 H TYR A 74 -9.091 -9.276 17.880 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.741 -11.325 16.178 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.086 -8.375 16.498 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.843 -9.540 16.088 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.886 -10.722 13.893 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.719 -7.636 14.817 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.446 -10.510 11.494 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.297 -7.456 12.419 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.567 -9.321 9.938 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.361 -12.030 18.192 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.578 -12.481 19.385 1.00 0.00 C ATOM 1243 C LYS A 75 -4.160 -11.830 19.561 1.00 0.00 C ATOM 1244 O LYS A 75 -3.808 -11.434 20.675 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.579 -14.039 19.468 1.00 0.00 C ATOM 1246 CG LYS A 75 -4.566 -14.789 18.565 1.00 0.00 C ATOM 1247 CD LYS A 75 -4.489 -16.306 18.802 1.00 0.00 C ATOM 1248 CE LYS A 75 -3.237 -16.895 18.125 1.00 0.00 C ATOM 1249 NZ LYS A 75 -3.201 -18.366 18.335 1.00 0.00 N ATOM 0 H LYS A 75 -6.423 -12.726 17.449 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.102 -12.091 20.258 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.387 -14.324 20.502 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.580 -14.392 19.220 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.830 -14.612 17.522 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.576 -14.361 18.721 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.462 -16.512 19.872 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.384 -16.788 18.407 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.248 -16.670 17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.338 -16.437 18.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.355 -18.761 17.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.171 -18.571 19.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.052 -18.797 17.921 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.351 -11.748 18.486 1.00 0.00 N ATOM 1264 CA ASP A 76 -2.002 -11.131 18.525 1.00 0.00 C ATOM 1265 C ASP A 76 -2.148 -9.644 18.094 1.00 0.00 C ATOM 1266 O ASP A 76 -2.697 -9.362 17.023 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.056 -11.870 17.543 1.00 0.00 C ATOM 1268 CG ASP A 76 -0.471 -13.216 17.973 1.00 0.00 C ATOM 1269 OD1 ASP A 76 -1.215 -14.209 18.100 1.00 0.00 O ATOM 1270 OD2 ASP A 76 0.777 -13.308 18.059 1.00 0.00 O ATOM 0 H ASP A 76 -3.610 -12.106 17.566 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.581 -11.199 19.528 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.600 -12.027 16.612 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.224 -11.203 17.318 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.638 -8.707 18.907 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.594 -7.260 18.538 1.00 0.00 C ATOM 1277 C ILE A 77 -0.096 -6.809 18.677 1.00 0.00 C ATOM 1278 O ILE A 77 0.326 -6.349 19.743 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.587 -6.396 19.412 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -4.044 -6.921 19.620 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.627 -4.912 18.962 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -4.972 -6.994 18.395 1.00 0.00 C ATOM 0 H ILE A 77 -1.247 -8.912 19.827 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.935 -7.105 17.514 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.130 -6.498 20.396 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.980 -7.921 20.049 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.524 -6.285 20.364 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.323 -4.359 19.593 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.632 -4.477 19.053 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.954 -4.855 17.924 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.946 -7.377 18.699 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.090 -5.998 17.968 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.538 -7.659 17.649 1.00 0.00 H new ATOM 1294 N ASN A 78 0.723 -6.949 17.615 1.00 0.00 N ATOM 1295 CA ASN A 78 2.186 -6.671 17.679 1.00 0.00 C ATOM 1296 C ASN A 78 2.518 -5.256 17.100 1.00 0.00 C ATOM 1297 O ASN A 78 2.725 -5.084 15.894 1.00 0.00 O ATOM 1298 CB ASN A 78 2.908 -7.859 16.977 1.00 0.00 C ATOM 1299 CG ASN A 78 4.441 -7.855 17.063 1.00 0.00 C ATOM 1300 OD1 ASN A 78 5.049 -7.328 17.989 1.00 0.00 O ATOM 1301 ND2 ASN A 78 5.131 -8.460 16.127 1.00 0.00 N ATOM 0 H ASN A 78 0.402 -7.254 16.696 1.00 0.00 H new ATOM 0 HA ASN A 78 2.549 -6.618 18.705 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.541 -8.789 17.410 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.622 -7.863 15.925 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.149 -8.485 16.179 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.650 -8.906 15.346 1.00 0.00 H new ATOM 1308 N VAL A 79 2.596 -4.237 17.975 1.00 0.00 N ATOM 1309 CA VAL A 79 3.043 -2.869 17.594 1.00 0.00 C ATOM 1310 C VAL A 79 4.605 -2.736 17.581 1.00 0.00 C ATOM 1311 O VAL A 79 5.287 -3.045 18.563 1.00 0.00 O ATOM 1312 CB VAL A 79 2.315 -1.798 18.475 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.643 -1.814 19.986 1.00 0.00 C ATOM 1314 CG2 VAL A 79 2.556 -0.374 17.935 1.00 0.00 C ATOM 0 H VAL A 79 2.354 -4.329 18.962 1.00 0.00 H new ATOM 0 HA VAL A 79 2.748 -2.678 16.562 1.00 0.00 H new ATOM 0 HB VAL A 79 1.267 -2.087 18.394 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.079 -1.028 20.489 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.371 -2.782 20.407 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.710 -1.643 20.129 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.038 0.347 18.567 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.625 -0.159 17.939 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.176 -0.302 16.916 1.00 0.00 H new ATOM 1324 N ARG A 80 5.155 -2.202 16.476 1.00 0.00 N ATOM 1325 CA ARG A 80 6.572 -1.748 16.415 1.00 0.00 C ATOM 1326 C ARG A 80 6.599 -0.284 15.865 1.00 0.00 C ATOM 1327 O ARG A 80 6.288 -0.032 14.697 1.00 0.00 O ATOM 1328 CB ARG A 80 7.378 -2.802 15.607 1.00 0.00 C ATOM 1329 CG ARG A 80 8.915 -2.618 15.556 1.00 0.00 C ATOM 1330 CD ARG A 80 9.427 -1.652 14.458 1.00 0.00 C ATOM 1331 NE ARG A 80 10.110 -0.470 15.055 1.00 0.00 N ATOM 1332 CZ ARG A 80 11.042 0.272 14.457 1.00 0.00 C ATOM 1333 NH1 ARG A 80 11.497 0.052 13.250 1.00 0.00 N ATOM 1334 NH2 ARG A 80 11.518 1.294 15.101 1.00 0.00 N ATOM 0 H ARG A 80 4.643 -2.070 15.604 1.00 0.00 H new ATOM 0 HA ARG A 80 7.059 -1.693 17.389 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.168 -3.786 16.027 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.002 -2.805 14.584 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.254 -2.253 16.526 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.377 -3.593 15.404 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.117 -2.179 13.799 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.590 -1.320 13.843 1.00 0.00 H new ATOM 0 HE ARG A 80 9.841 -0.206 16.003 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.136 -0.730 12.704 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.212 0.663 12.855 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.178 1.510 16.038 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.232 1.881 14.670 1.00 0.00 H new ATOM 1348 N VAL A 81 6.963 0.687 16.722 1.00 0.00 N ATOM 1349 CA VAL A 81 6.884 2.145 16.387 1.00 0.00 C ATOM 1350 C VAL A 81 8.269 2.642 15.843 1.00 0.00 C ATOM 1351 O VAL A 81 9.300 2.448 16.500 1.00 0.00 O ATOM 1352 CB VAL A 81 6.413 2.981 17.636 1.00 0.00 C ATOM 1353 CG1 VAL A 81 6.180 4.474 17.298 1.00 0.00 C ATOM 1354 CG2 VAL A 81 5.118 2.482 18.324 1.00 0.00 C ATOM 0 H VAL A 81 7.318 0.500 17.660 1.00 0.00 H new ATOM 0 HA VAL A 81 6.140 2.292 15.604 1.00 0.00 H new ATOM 0 HB VAL A 81 7.247 2.846 18.324 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.857 5.004 18.194 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.108 4.913 16.932 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.411 4.557 16.530 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.884 3.127 19.171 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.294 2.506 17.610 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.263 1.461 18.676 1.00 0.00 H new ATOM 1364 N ASN A 82 8.297 3.312 14.673 1.00 0.00 N ATOM 1365 CA ASN A 82 9.509 4.030 14.170 1.00 0.00 C ATOM 1366 C ASN A 82 9.289 5.582 14.204 1.00 0.00 C ATOM 1367 O ASN A 82 9.119 6.231 13.168 1.00 0.00 O ATOM 1368 CB ASN A 82 9.866 3.430 12.778 1.00 0.00 C ATOM 1369 CG ASN A 82 11.307 3.654 12.321 1.00 0.00 C ATOM 1370 OD1 ASN A 82 12.247 3.129 12.916 1.00 0.00 O ATOM 1371 ND2 ASN A 82 11.530 4.382 11.253 1.00 0.00 N ATOM 0 H ASN A 82 7.494 3.377 14.048 1.00 0.00 H new ATOM 0 HA ASN A 82 10.376 3.880 14.814 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.672 2.358 12.802 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.195 3.858 12.033 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.483 4.513 10.915 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.750 4.817 10.760 1.00 0.00 H new ATOM 1378 N GLY A 83 9.263 6.171 15.419 1.00 0.00 N ATOM 1379 CA GLY A 83 8.875 7.596 15.622 1.00 0.00 C ATOM 1380 C GLY A 83 7.403 7.922 15.286 1.00 0.00 C ATOM 1381 O GLY A 83 6.499 7.654 16.079 1.00 0.00 O ATOM 0 H GLY A 83 9.506 5.684 16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.063 7.864 16.661 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.521 8.224 15.008 1.00 0.00 H new ATOM 1385 N THR A 84 7.183 8.463 14.078 1.00 0.00 N ATOM 1386 CA THR A 84 5.803 8.732 13.553 1.00 0.00 C ATOM 1387 C THR A 84 5.160 7.574 12.699 1.00 0.00 C ATOM 1388 O THR A 84 3.967 7.651 12.386 1.00 0.00 O ATOM 1389 CB THR A 84 5.681 10.128 12.852 1.00 0.00 C ATOM 1390 OG1 THR A 84 6.036 10.082 11.472 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.455 11.304 13.472 1.00 0.00 C ATOM 0 H THR A 84 7.930 8.728 13.436 1.00 0.00 H new ATOM 0 HA THR A 84 5.191 8.765 14.455 1.00 0.00 H new ATOM 0 HB THR A 84 4.621 10.331 13.002 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.253 10.301 10.925 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.279 12.205 12.885 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.114 11.465 14.495 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.521 11.076 13.476 1.00 0.00 H new ATOM 1399 N GLU A 85 5.912 6.510 12.342 1.00 0.00 N ATOM 1400 CA GLU A 85 5.374 5.296 11.673 1.00 0.00 C ATOM 1401 C GLU A 85 4.934 4.249 12.747 1.00 0.00 C ATOM 1402 O GLU A 85 5.767 3.654 13.443 1.00 0.00 O ATOM 1403 CB GLU A 85 6.454 4.666 10.759 1.00 0.00 C ATOM 1404 CG GLU A 85 7.010 5.494 9.574 1.00 0.00 C ATOM 1405 CD GLU A 85 8.245 4.855 8.948 1.00 0.00 C ATOM 1406 OE1 GLU A 85 9.338 4.934 9.554 1.00 0.00 O ATOM 1407 OE2 GLU A 85 8.125 4.273 7.851 1.00 0.00 O ATOM 0 H GLU A 85 6.917 6.465 12.509 1.00 0.00 H new ATOM 0 HA GLU A 85 4.514 5.584 11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.298 4.387 11.390 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.042 3.743 10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.236 5.602 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.259 6.497 9.920 1.00 0.00 H new ATOM 1414 N VAL A 86 3.625 4.004 12.865 1.00 0.00 N ATOM 1415 CA VAL A 86 3.074 2.970 13.795 1.00 0.00 C ATOM 1416 C VAL A 86 2.658 1.734 12.934 1.00 0.00 C ATOM 1417 O VAL A 86 1.593 1.762 12.308 1.00 0.00 O ATOM 1418 CB VAL A 86 1.947 3.627 14.673 1.00 0.00 C ATOM 1419 CG1 VAL A 86 0.983 2.641 15.368 1.00 0.00 C ATOM 1420 CG2 VAL A 86 2.517 4.534 15.784 1.00 0.00 C ATOM 0 H VAL A 86 2.911 4.502 12.332 1.00 0.00 H new ATOM 0 HA VAL A 86 3.798 2.595 14.519 1.00 0.00 H new ATOM 0 HB VAL A 86 1.387 4.196 13.931 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.247 3.199 15.946 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.473 2.039 14.616 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.548 1.988 16.033 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.697 4.962 16.360 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.155 3.945 16.443 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.102 5.336 15.334 1.00 0.00 H new ATOM 1430 N LYS A 87 3.471 0.649 12.920 1.00 0.00 N ATOM 1431 CA LYS A 87 3.052 -0.655 12.325 1.00 0.00 C ATOM 1432 C LYS A 87 2.379 -1.579 13.384 1.00 0.00 C ATOM 1433 O LYS A 87 3.072 -2.216 14.187 1.00 0.00 O ATOM 1434 CB LYS A 87 4.181 -1.354 11.507 1.00 0.00 C ATOM 1435 CG LYS A 87 5.434 -1.909 12.242 1.00 0.00 C ATOM 1436 CD LYS A 87 5.854 -3.353 11.864 1.00 0.00 C ATOM 1437 CE LYS A 87 4.997 -4.463 12.519 1.00 0.00 C ATOM 1438 NZ LYS A 87 5.529 -5.811 12.150 1.00 0.00 N ATOM 0 H LYS A 87 4.414 0.645 13.309 1.00 0.00 H new ATOM 0 HA LYS A 87 2.285 -0.430 11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.726 -2.184 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.531 -0.642 10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.273 -1.243 12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.247 -1.874 13.315 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.800 -3.462 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.896 -3.501 12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.003 -4.346 13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.960 -4.372 12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.988 -6.546 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.438 -5.951 11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.531 -5.875 12.421 1.00 0.00 H new ATOM 1452 N ILE A 88 1.036 -1.678 13.379 1.00 0.00 N ATOM 1453 CA ILE A 88 0.313 -2.661 14.245 1.00 0.00 C ATOM 1454 C ILE A 88 0.050 -3.948 13.390 1.00 0.00 C ATOM 1455 O ILE A 88 -0.816 -3.980 12.509 1.00 0.00 O ATOM 1456 CB ILE A 88 -0.965 -2.076 14.934 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.740 -0.733 15.692 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.550 -3.093 15.951 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -1.996 0.144 15.765 1.00 0.00 C ATOM 0 H ILE A 88 0.426 -1.103 12.797 1.00 0.00 H new ATOM 0 HA ILE A 88 0.938 -2.922 15.099 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.651 -1.880 14.110 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.397 -0.949 16.704 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.056 -0.175 15.198 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.438 -2.669 16.420 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.818 -4.013 15.432 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.805 -3.312 16.716 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.768 1.062 16.306 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.327 0.390 14.756 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.787 -0.396 16.285 1.00 0.00 H new ATOM 1471 N GLU A 89 0.834 -4.996 13.675 1.00 0.00 N ATOM 1472 CA GLU A 89 0.699 -6.338 13.058 1.00 0.00 C ATOM 1473 C GLU A 89 -0.307 -7.203 13.867 1.00 0.00 C ATOM 1474 O GLU A 89 0.003 -7.686 14.962 1.00 0.00 O ATOM 1475 CB GLU A 89 2.142 -6.900 13.033 1.00 0.00 C ATOM 1476 CG GLU A 89 2.357 -8.382 12.633 1.00 0.00 C ATOM 1477 CD GLU A 89 3.682 -8.903 13.160 1.00 0.00 C ATOM 1478 OE1 GLU A 89 4.729 -8.281 12.870 1.00 0.00 O ATOM 1479 OE2 GLU A 89 3.670 -9.885 13.935 1.00 0.00 O ATOM 0 H GLU A 89 1.595 -4.942 14.352 1.00 0.00 H new ATOM 0 HA GLU A 89 0.287 -6.322 12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.724 -6.285 12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.568 -6.761 14.027 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.542 -8.990 13.025 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.331 -8.476 11.547 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.509 -7.404 13.311 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.557 -8.240 13.957 1.00 0.00 C ATOM 1488 C VAL A 90 -2.672 -9.628 13.269 1.00 0.00 C ATOM 1489 O VAL A 90 -2.806 -9.725 12.046 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.939 -7.538 14.112 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -3.880 -6.293 15.002 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.681 -7.173 12.814 1.00 0.00 C ATOM 0 H VAL A 90 -1.790 -7.004 12.416 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.219 -8.397 14.981 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.522 -8.326 14.588 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.873 -5.848 15.072 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.538 -6.574 15.998 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.188 -5.570 14.571 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.627 -6.691 13.059 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.069 -6.491 12.224 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.873 -8.078 12.238 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.628 -10.705 14.066 1.00 0.00 N ATOM 1503 CA ARG A 91 -2.688 -12.098 13.531 1.00 0.00 C ATOM 1504 C ARG A 91 -3.785 -12.932 14.272 1.00 0.00 C ATOM 1505 O ARG A 91 -3.868 -12.934 15.505 1.00 0.00 O ATOM 1506 CB ARG A 91 -1.276 -12.753 13.589 1.00 0.00 C ATOM 1507 CG ARG A 91 -0.218 -12.162 12.613 1.00 0.00 C ATOM 1508 CD ARG A 91 1.192 -12.800 12.672 1.00 0.00 C ATOM 1509 NE ARG A 91 2.062 -12.183 13.718 1.00 0.00 N ATOM 1510 CZ ARG A 91 2.079 -12.509 15.006 1.00 0.00 C ATOM 1511 NH1 ARG A 91 1.505 -13.572 15.499 1.00 0.00 N ATOM 1512 NH2 ARG A 91 2.699 -11.710 15.815 1.00 0.00 N ATOM 0 H ARG A 91 -2.551 -10.652 15.082 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.984 -12.073 12.482 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.895 -12.663 14.606 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.381 -13.818 13.381 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.597 -12.260 11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.121 -11.095 12.816 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.095 -13.868 12.870 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.673 -12.698 11.699 1.00 0.00 H new ATOM 0 HE ARG A 91 2.700 -11.446 13.417 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.004 -14.213 14.884 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.557 -13.762 16.500 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.150 -10.869 15.455 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.737 -11.922 16.812 1.00 0.00 H new ATOM 1526 N VAL A 92 -4.622 -13.668 13.509 1.00 0.00 N ATOM 1527 CA VAL A 92 -5.705 -14.524 14.083 1.00 0.00 C ATOM 1528 C VAL A 92 -5.073 -15.886 14.455 1.00 0.00 C ATOM 1529 O VAL A 92 -5.334 -16.450 15.520 1.00 0.00 O ATOM 1530 CB VAL A 92 -6.915 -14.686 13.095 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -8.074 -15.529 13.676 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -7.559 -13.355 12.646 1.00 0.00 C ATOM 0 H VAL A 92 -4.575 -13.692 12.490 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.122 -14.051 14.972 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.445 -15.184 12.247 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.876 -15.600 12.941 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.712 -16.529 13.916 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.452 -15.053 14.581 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.385 -13.562 11.966 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.932 -12.819 13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.814 -12.744 12.136 1.00 0.00 H new