USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 744 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 17 LYS NZ :NH3+ -121:sc= 0.121 (180deg=0) USER MOD Set 1.2: A 18 HIS : no HE2:sc= -1.62! C(o=-1.5!,f=-10!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -2.07 K(o=-2.5,f=-8.3!) USER MOD Set 2.2: A 113 SER OG : rot 172:sc= -0.433 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -104:sc= 0.858 USER MOD Single : A 37 MET CE :methyl -116:sc= -2.29 (180deg=-8.19!) USER MOD Single : A 40 LYS NZ :NH3+ -124:sc= -2.46! (180deg=-6.23!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0538 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0.0694 (180deg=0.0651) USER MOD Single : A 50 GLN : amide:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -115:sc= -0.368 (180deg=-1.14) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 60 THR OG1 : rot -168:sc= -1.23! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc=-0.00793 X(o=-0.0079,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -3.87! C(o=-6.6!,f=-3.9!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0.0125 (180deg=0.00554) USER MOD Single : A 85 HIS : no HE2:sc= -4.24! C(o=-4.2!,f=-4.9!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.98 F(o=-3.5!,f=-2) USER MOD Single : A 100 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.087) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.353 USER MOD Single : A 109 GLN : amide:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : A 112 THR OG1 : rot -160:sc= -1.43 USER MOD Single : A 115 LYS NZ :NH3+ 159:sc=-0.00959 (180deg=-0.123) USER MOD Single : A 117 GLN : amide:sc= -0.429 K(o=-0.43,f=-2.2!) USER MOD Single : A 118 SER OG : rot 112:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 -5.397 5.914 -15.166 1.00 0.00 N ATOM 89 CA HIS A 10 -4.621 6.052 -16.395 1.00 0.00 C ATOM 90 C HIS A 10 -4.166 4.707 -16.910 1.00 0.00 C ATOM 91 O HIS A 10 -4.250 3.678 -16.231 1.00 0.00 O ATOM 92 CB HIS A 10 -3.412 6.936 -16.045 1.00 0.00 C ATOM 93 CG HIS A 10 -3.514 8.301 -16.665 1.00 0.00 C ATOM 94 ND1 HIS A 10 -3.083 9.495 -16.094 1.00 0.00 N ATOM 95 CD2 HIS A 10 -4.076 8.509 -17.918 1.00 0.00 C ATOM 96 CE1 HIS A 10 -3.434 10.355 -17.069 1.00 0.00 C ATOM 97 NE2 HIS A 10 -4.024 9.852 -18.187 1.00 0.00 N ATOM 0 HA HIS A 10 -5.224 6.497 -17.186 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.336 7.035 -14.962 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.497 6.451 -16.386 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.482 7.747 -18.566 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.252 11.415 -16.966 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.347 10.349 -19.017 1.00 0.00 H new ATOM 105 N GLU A 11 -3.697 4.694 -18.147 1.00 0.00 N ATOM 106 CA GLU A 11 -3.093 3.494 -18.721 1.00 0.00 C ATOM 107 C GLU A 11 -2.102 3.840 -19.806 1.00 0.00 C ATOM 108 O GLU A 11 -2.331 4.707 -20.655 1.00 0.00 O ATOM 109 CB GLU A 11 -4.225 2.581 -19.276 1.00 0.00 C ATOM 110 CG GLU A 11 -4.671 2.816 -20.757 1.00 0.00 C ATOM 111 CD GLU A 11 -5.327 4.149 -21.124 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.583 4.299 -20.621 1.00 0.00 O ATOM 113 OE2 GLU A 11 -4.771 4.999 -21.808 1.00 0.00 O ATOM 0 H GLU A 11 -3.721 5.497 -18.775 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.541 2.965 -17.944 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.900 1.545 -19.181 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.100 2.701 -18.637 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.792 2.695 -21.390 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.367 2.021 -21.023 1.00 0.00 H new ATOM 120 N GLY A 12 -0.972 3.150 -19.796 1.00 0.00 N ATOM 121 CA GLY A 12 0.010 3.279 -20.867 1.00 0.00 C ATOM 122 C GLY A 12 0.949 2.098 -20.911 1.00 0.00 C ATOM 123 O GLY A 12 0.984 1.252 -20.008 1.00 0.00 O ATOM 0 H GLY A 12 -0.710 2.495 -19.060 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.505 3.370 -21.823 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.584 4.195 -20.726 1.00 0.00 H new ATOM 127 N TYR A 13 1.712 2.007 -21.986 1.00 0.00 N ATOM 128 CA TYR A 13 2.780 1.016 -22.101 1.00 0.00 C ATOM 129 C TYR A 13 4.025 1.519 -21.407 1.00 0.00 C ATOM 130 O TYR A 13 4.808 2.303 -21.956 1.00 0.00 O ATOM 131 CB TYR A 13 3.132 0.725 -23.589 1.00 0.00 C ATOM 132 CG TYR A 13 2.038 0.960 -24.635 1.00 0.00 C ATOM 133 CD1 TYR A 13 0.685 0.850 -24.298 1.00 0.00 C ATOM 134 CD2 TYR A 13 2.395 1.287 -25.949 1.00 0.00 C ATOM 135 CE1 TYR A 13 -0.296 1.101 -25.254 1.00 0.00 C ATOM 136 CE2 TYR A 13 1.412 1.475 -26.917 1.00 0.00 C ATOM 137 CZ TYR A 13 0.067 1.370 -26.571 1.00 0.00 C ATOM 138 OH TYR A 13 -0.898 1.530 -27.524 1.00 0.00 O ATOM 0 H TYR A 13 1.614 2.611 -22.802 1.00 0.00 H new ATOM 0 HA TYR A 13 2.424 0.097 -21.635 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.991 1.340 -23.857 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.449 -0.315 -23.662 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.401 0.570 -23.294 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.437 1.394 -26.213 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.339 1.087 -24.974 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.692 1.702 -27.935 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.476 1.713 -28.389 1.00 0.00 H new ATOM 148 N VAL A 14 4.216 1.092 -20.173 1.00 0.00 N ATOM 149 CA VAL A 14 5.279 1.631 -19.329 1.00 0.00 C ATOM 150 C VAL A 14 6.038 0.556 -18.583 1.00 0.00 C ATOM 151 O VAL A 14 5.929 -0.647 -18.840 1.00 0.00 O ATOM 152 CB VAL A 14 4.644 2.649 -18.296 1.00 0.00 C ATOM 153 CG1 VAL A 14 3.693 3.724 -18.891 1.00 0.00 C ATOM 154 CG2 VAL A 14 3.847 1.960 -17.160 1.00 0.00 C ATOM 0 H VAL A 14 3.649 0.371 -19.727 1.00 0.00 H new ATOM 0 HA VAL A 14 5.997 2.131 -19.979 1.00 0.00 H new ATOM 0 HB VAL A 14 5.543 3.139 -17.922 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.320 4.363 -18.091 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.237 4.330 -19.615 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.854 3.234 -19.385 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.440 2.717 -16.490 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.031 1.379 -17.589 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.509 1.298 -16.601 1.00 0.00 H new ATOM 164 N THR A 15 6.819 1.004 -17.609 1.00 0.00 N ATOM 165 CA THR A 15 7.504 0.111 -16.680 1.00 0.00 C ATOM 166 C THR A 15 6.881 0.196 -15.303 1.00 0.00 C ATOM 167 O THR A 15 7.360 0.892 -14.402 1.00 0.00 O ATOM 168 CB THR A 15 9.034 0.436 -16.618 1.00 0.00 C ATOM 169 OG1 THR A 15 9.485 0.950 -17.865 1.00 0.00 O ATOM 170 CG2 THR A 15 9.975 -0.752 -16.326 1.00 0.00 C ATOM 0 H THR A 15 6.996 1.994 -17.440 1.00 0.00 H new ATOM 0 HA THR A 15 7.392 -0.910 -17.045 1.00 0.00 H new ATOM 0 HB THR A 15 9.092 1.139 -15.787 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.443 1.150 -17.809 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.007 -0.403 -16.308 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.722 -1.187 -15.359 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.861 -1.506 -17.104 1.00 0.00 H new ATOM 178 N ARG A 16 5.774 -0.503 -15.135 1.00 0.00 N ATOM 179 CA ARG A 16 4.965 -0.432 -13.922 1.00 0.00 C ATOM 180 C ARG A 16 5.120 -1.692 -13.101 1.00 0.00 C ATOM 181 O ARG A 16 5.457 -2.765 -13.627 1.00 0.00 O ATOM 182 CB ARG A 16 3.479 -0.199 -14.311 1.00 0.00 C ATOM 183 CG ARG A 16 2.942 1.233 -14.049 1.00 0.00 C ATOM 184 CD ARG A 16 1.441 1.358 -14.347 1.00 0.00 C ATOM 185 NE ARG A 16 1.287 1.868 -15.734 1.00 0.00 N ATOM 186 CZ ARG A 16 1.477 3.124 -16.115 1.00 0.00 C ATOM 187 NH1 ARG A 16 1.735 4.106 -15.302 1.00 0.00 N ATOM 188 NH2 ARG A 16 1.402 3.380 -17.373 1.00 0.00 N ATOM 0 H ARG A 16 5.404 -1.142 -15.839 1.00 0.00 H new ATOM 0 HA ARG A 16 5.306 0.402 -13.309 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.358 -0.427 -15.370 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.861 -0.908 -13.760 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.127 1.503 -13.009 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.493 1.943 -14.666 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.950 0.391 -14.240 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.967 2.036 -13.637 1.00 0.00 H new ATOM 0 HE ARG A 16 1.013 1.197 -16.452 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.803 3.933 -14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.870 5.049 -15.667 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.203 2.630 -18.035 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.542 4.333 -17.709 1.00 0.00 H new ATOM 202 N LYS A 17 4.902 -1.597 -11.804 1.00 0.00 N ATOM 203 CA LYS A 17 4.872 -2.775 -10.939 1.00 0.00 C ATOM 204 C LYS A 17 3.461 -3.053 -10.476 1.00 0.00 C ATOM 205 O LYS A 17 2.484 -2.606 -11.106 1.00 0.00 O ATOM 206 CB LYS A 17 5.828 -2.565 -9.733 1.00 0.00 C ATOM 207 CG LYS A 17 6.575 -3.841 -9.272 1.00 0.00 C ATOM 208 CD LYS A 17 6.209 -5.133 -10.007 1.00 0.00 C ATOM 209 CE LYS A 17 6.548 -6.337 -9.118 1.00 0.00 C ATOM 210 NZ LYS A 17 5.307 -7.053 -8.772 1.00 0.00 N ATOM 0 H LYS A 17 4.742 -0.715 -11.318 1.00 0.00 H new ATOM 0 HA LYS A 17 5.214 -3.643 -11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.563 -1.805 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.253 -2.174 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.646 -3.672 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.386 -3.985 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.147 -5.136 -10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.755 -5.196 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.234 -7.006 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.054 -6.003 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.195 -7.075 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.494 -6.564 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.355 -8.026 -9.136 1.00 0.00 H new ATOM 224 N HIS A 18 3.305 -3.764 -9.375 1.00 0.00 N ATOM 225 CA HIS A 18 1.980 -4.003 -8.803 1.00 0.00 C ATOM 226 C HIS A 18 2.075 -4.634 -7.429 1.00 0.00 C ATOM 227 O HIS A 18 3.152 -4.977 -6.935 1.00 0.00 O ATOM 228 CB HIS A 18 1.253 -4.934 -9.786 1.00 0.00 C ATOM 229 CG HIS A 18 1.592 -6.390 -9.667 1.00 0.00 C ATOM 230 ND1 HIS A 18 2.458 -6.978 -8.750 1.00 0.00 N ATOM 231 CD2 HIS A 18 1.035 -7.346 -10.514 1.00 0.00 C ATOM 232 CE1 HIS A 18 2.350 -8.269 -9.115 1.00 0.00 C ATOM 233 NE2 HIS A 18 1.529 -8.574 -10.156 1.00 0.00 N ATOM 0 H HIS A 18 4.073 -4.188 -8.855 1.00 0.00 H new ATOM 0 HA HIS A 18 1.440 -3.066 -8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.179 -4.816 -9.644 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.478 -4.608 -10.802 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.016 -6.551 -8.011 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.335 -7.153 -11.314 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.899 -9.041 -8.596 1.00 0.00 H new ATOM 445 N TRP A 32 10.277 -5.070 -11.280 1.00 0.00 N ATOM 446 CA TRP A 32 9.381 -4.263 -12.107 1.00 0.00 C ATOM 447 C TRP A 32 9.217 -4.890 -13.471 1.00 0.00 C ATOM 448 O TRP A 32 10.086 -5.653 -13.932 1.00 0.00 O ATOM 449 CB TRP A 32 9.958 -2.827 -12.252 1.00 0.00 C ATOM 450 CG TRP A 32 10.116 -2.042 -10.944 1.00 0.00 C ATOM 451 CD1 TRP A 32 10.677 -2.532 -9.747 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.838 -0.710 -10.712 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.766 -1.528 -8.764 1.00 0.00 N ATOM 454 CE2 TRP A 32 10.242 -0.407 -9.387 1.00 0.00 C ATOM 455 CE3 TRP A 32 9.249 0.288 -11.531 1.00 0.00 C ATOM 456 CZ2 TRP A 32 10.105 0.908 -8.890 1.00 0.00 C ATOM 457 CZ3 TRP A 32 9.121 1.579 -11.016 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.592 1.897 -9.734 1.00 0.00 C ATOM 0 HA TRP A 32 8.404 -4.215 -11.626 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.933 -2.893 -12.735 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.309 -2.260 -12.919 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.999 -3.553 -9.602 1.00 0.00 H new ATOM 0 HE1 TRP A 32 11.131 -1.607 -7.815 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.908 0.054 -12.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.391 1.145 -7.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.652 2.346 -11.615 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.558 2.921 -9.394 1.00 0.00 H new ATOM 469 N ASP A 33 8.128 -4.597 -14.155 1.00 0.00 N ATOM 470 CA ASP A 33 7.813 -5.270 -15.416 1.00 0.00 C ATOM 471 C ASP A 33 7.236 -4.318 -16.438 1.00 0.00 C ATOM 472 O ASP A 33 6.478 -3.393 -16.127 1.00 0.00 O ATOM 473 CB ASP A 33 6.860 -6.466 -15.152 1.00 0.00 C ATOM 474 CG ASP A 33 7.416 -7.613 -14.295 1.00 0.00 C ATOM 475 OD1 ASP A 33 8.342 -8.326 -14.656 1.00 0.00 O ATOM 476 OD2 ASP A 33 6.752 -7.760 -13.110 1.00 0.00 O ATOM 0 H ASP A 33 7.443 -3.899 -13.865 1.00 0.00 H new ATOM 0 HA ASP A 33 8.743 -5.650 -15.839 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.961 -6.085 -14.668 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.555 -6.877 -16.114 1.00 0.00 H new ATOM 481 N LYS A 34 7.615 -4.525 -17.688 1.00 0.00 N ATOM 482 CA LYS A 34 7.036 -3.799 -18.815 1.00 0.00 C ATOM 483 C LYS A 34 5.697 -4.389 -19.188 1.00 0.00 C ATOM 484 O LYS A 34 5.546 -5.619 -19.298 1.00 0.00 O ATOM 485 CB LYS A 34 8.021 -3.830 -20.015 1.00 0.00 C ATOM 486 CG LYS A 34 8.293 -5.258 -20.550 1.00 0.00 C ATOM 487 CD LYS A 34 9.706 -5.486 -21.095 1.00 0.00 C ATOM 488 CE LYS A 34 10.018 -4.420 -22.154 1.00 0.00 C ATOM 489 NZ LYS A 34 11.348 -4.680 -22.733 1.00 0.00 N ATOM 0 H LYS A 34 8.332 -5.200 -17.954 1.00 0.00 H new ATOM 0 HA LYS A 34 6.871 -2.760 -18.531 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.618 -3.218 -20.822 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.965 -3.377 -19.712 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.110 -5.972 -19.747 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.575 -5.477 -21.341 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.434 -5.435 -20.285 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.784 -6.482 -21.531 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.259 -4.436 -22.936 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.992 -3.427 -21.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.561 -3.958 -23.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.067 -4.644 -21.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.356 -5.621 -23.175 1.00 0.00 H new ATOM 503 N VAL A 35 4.703 -3.552 -19.416 1.00 0.00 N ATOM 504 CA VAL A 35 3.336 -4.026 -19.624 1.00 0.00 C ATOM 505 C VAL A 35 2.428 -2.931 -20.127 1.00 0.00 C ATOM 506 O VAL A 35 2.759 -1.738 -20.083 1.00 0.00 O ATOM 507 CB VAL A 35 2.776 -4.608 -18.261 1.00 0.00 C ATOM 508 CG1 VAL A 35 2.829 -6.151 -18.093 1.00 0.00 C ATOM 509 CG2 VAL A 35 3.477 -4.037 -17.005 1.00 0.00 C ATOM 0 H VAL A 35 4.810 -2.539 -19.463 1.00 0.00 H new ATOM 0 HA VAL A 35 3.359 -4.804 -20.387 1.00 0.00 H new ATOM 0 HB VAL A 35 1.736 -4.290 -18.335 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.418 -6.426 -17.121 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.243 -6.623 -18.881 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.863 -6.489 -18.158 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.040 -4.482 -16.111 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.541 -4.271 -17.044 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.344 -2.956 -16.974 1.00 0.00 H new ATOM 519 N TYR A 36 1.274 -3.314 -20.635 1.00 0.00 N ATOM 520 CA TYR A 36 0.219 -2.361 -20.967 1.00 0.00 C ATOM 521 C TYR A 36 -0.772 -2.338 -19.815 1.00 0.00 C ATOM 522 O TYR A 36 -1.790 -3.034 -19.733 1.00 0.00 O ATOM 523 CB TYR A 36 -0.501 -2.713 -22.307 1.00 0.00 C ATOM 524 CG TYR A 36 0.269 -2.334 -23.586 1.00 0.00 C ATOM 525 CD1 TYR A 36 1.665 -2.386 -23.610 1.00 0.00 C ATOM 526 CD2 TYR A 36 -0.429 -1.945 -24.733 1.00 0.00 C ATOM 527 CE1 TYR A 36 2.351 -2.144 -24.799 1.00 0.00 C ATOM 528 CE2 TYR A 36 0.262 -1.662 -25.908 1.00 0.00 C ATOM 529 CZ TYR A 36 1.647 -1.805 -25.952 1.00 0.00 C ATOM 530 OH TYR A 36 2.318 -1.614 -27.126 1.00 0.00 O ATOM 0 H TYR A 36 1.036 -4.286 -20.831 1.00 0.00 H new ATOM 0 HA TYR A 36 0.664 -1.377 -21.112 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.697 -3.785 -22.325 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.469 -2.212 -22.323 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.213 -2.614 -22.707 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.506 -1.864 -24.708 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.428 -2.219 -24.826 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.275 -1.332 -26.785 1.00 0.00 H new ATOM 0 HH TYR A 36 2.383 -0.654 -27.313 1.00 0.00 H new ATOM 540 N MET A 37 -0.426 -1.508 -18.835 1.00 0.00 N ATOM 541 CA MET A 37 -1.107 -1.434 -17.549 1.00 0.00 C ATOM 542 C MET A 37 -2.199 -0.393 -17.536 1.00 0.00 C ATOM 543 O MET A 37 -1.947 0.810 -17.672 1.00 0.00 O ATOM 544 CB MET A 37 -0.052 -1.126 -16.442 1.00 0.00 C ATOM 545 CG MET A 37 -0.313 -1.756 -15.059 1.00 0.00 C ATOM 546 SD MET A 37 0.989 -2.934 -14.662 1.00 0.00 S ATOM 547 CE MET A 37 0.222 -4.418 -15.328 1.00 0.00 C ATOM 0 H MET A 37 0.353 -0.854 -18.916 1.00 0.00 H new ATOM 0 HA MET A 37 -1.589 -2.394 -17.361 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.923 -1.464 -16.794 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.011 -0.045 -16.320 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.354 -0.977 -14.298 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.281 -2.257 -15.055 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.029 -5.122 -14.519 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.718 -4.155 -15.813 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.890 -4.877 -16.057 1.00 0.00 H new ATOM 557 N ALA A 38 -3.432 -0.840 -17.397 1.00 0.00 N ATOM 558 CA ALA A 38 -4.563 0.063 -17.203 1.00 0.00 C ATOM 559 C ALA A 38 -5.038 -0.002 -15.768 1.00 0.00 C ATOM 560 O ALA A 38 -5.943 -0.758 -15.403 1.00 0.00 O ATOM 561 CB ALA A 38 -5.656 -0.306 -18.220 1.00 0.00 C ATOM 0 H ALA A 38 -3.683 -1.829 -17.414 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.275 1.099 -17.380 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.511 0.358 -18.092 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.263 -0.200 -19.231 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.970 -1.337 -18.059 1.00 0.00 H new ATOM 567 N ALA A 39 -4.395 0.790 -14.929 1.00 0.00 N ATOM 568 CA ALA A 39 -4.612 0.758 -13.488 1.00 0.00 C ATOM 569 C ALA A 39 -4.460 2.144 -12.895 1.00 0.00 C ATOM 570 O ALA A 39 -4.213 3.148 -13.586 1.00 0.00 O ATOM 571 CB ALA A 39 -3.632 -0.269 -12.896 1.00 0.00 C ATOM 0 H ALA A 39 -3.703 1.478 -15.226 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.629 0.449 -13.244 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.767 -0.320 -11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.825 -1.249 -13.332 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.609 0.033 -13.120 1.00 0.00 H new ATOM 577 N LYS A 40 -4.641 2.198 -11.587 1.00 0.00 N ATOM 578 CA LYS A 40 -4.688 3.460 -10.864 1.00 0.00 C ATOM 579 C LYS A 40 -4.668 3.249 -9.365 1.00 0.00 C ATOM 580 O LYS A 40 -4.566 2.140 -8.834 1.00 0.00 O ATOM 581 CB LYS A 40 -5.965 4.240 -11.279 1.00 0.00 C ATOM 582 CG LYS A 40 -6.913 3.589 -12.325 1.00 0.00 C ATOM 583 CD LYS A 40 -7.545 2.236 -11.968 1.00 0.00 C ATOM 584 CE LYS A 40 -8.291 1.711 -13.205 1.00 0.00 C ATOM 585 NZ LYS A 40 -8.126 0.250 -13.316 1.00 0.00 N ATOM 0 H LYS A 40 -4.759 1.374 -10.997 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.800 4.037 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.546 4.433 -10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.652 5.208 -11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.720 4.293 -12.531 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.354 3.464 -13.253 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.776 1.528 -11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.232 2.347 -11.129 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.350 1.961 -13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.909 2.197 -14.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.725 0.016 -14.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.485 -0.085 -12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.051 -0.213 -13.212 1.00 0.00 H new ATOM 599 N ALA A 41 -4.796 4.356 -8.657 1.00 0.00 N ATOM 600 CA ALA A 41 -4.962 4.372 -7.206 1.00 0.00 C ATOM 601 C ALA A 41 -6.330 3.872 -6.795 1.00 0.00 C ATOM 602 O ALA A 41 -6.561 3.558 -5.616 1.00 0.00 O ATOM 603 CB ALA A 41 -4.691 5.810 -6.723 1.00 0.00 C ATOM 0 H ALA A 41 -4.788 5.286 -9.076 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.254 3.690 -6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.807 5.858 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.675 6.099 -6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.399 6.492 -7.194 1.00 0.00 H new ATOM 609 N GLY A 42 -7.253 3.744 -7.729 1.00 0.00 N ATOM 610 CA GLY A 42 -8.655 3.454 -7.446 1.00 0.00 C ATOM 611 C GLY A 42 -9.093 2.133 -8.027 1.00 0.00 C ATOM 612 O GLY A 42 -10.181 1.630 -7.655 1.00 0.00 O ATOM 0 H GLY A 42 -7.051 3.839 -8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.811 3.444 -6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.278 4.251 -7.851 1.00 0.00 H new ATOM 616 N ARG A 43 -8.351 1.543 -8.944 1.00 0.00 N ATOM 617 CA ARG A 43 -8.638 0.179 -9.395 1.00 0.00 C ATOM 618 C ARG A 43 -7.415 -0.453 -10.017 1.00 0.00 C ATOM 619 O ARG A 43 -6.286 0.037 -9.903 1.00 0.00 O ATOM 620 CB ARG A 43 -9.815 0.194 -10.413 1.00 0.00 C ATOM 621 CG ARG A 43 -10.890 1.307 -10.232 1.00 0.00 C ATOM 622 CD ARG A 43 -12.316 0.768 -10.405 1.00 0.00 C ATOM 623 NE ARG A 43 -12.407 0.064 -11.710 1.00 0.00 N ATOM 624 CZ ARG A 43 -13.528 -0.359 -12.280 1.00 0.00 C ATOM 625 NH1 ARG A 43 -14.714 -0.210 -11.769 1.00 0.00 N ATOM 626 NH2 ARG A 43 -13.427 -0.957 -13.415 1.00 0.00 N ATOM 0 H ARG A 43 -7.546 1.978 -9.395 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.923 -0.418 -8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.396 0.287 -11.415 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.316 -0.773 -10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.789 1.750 -9.241 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.713 2.102 -10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.563 0.087 -9.591 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.036 1.586 -10.366 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.535 -0.109 -12.210 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.827 0.259 -10.870 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.532 -0.562 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.510 -1.090 -13.842 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.264 -1.298 -13.888 1.00 0.00 H new ATOM 640 N ILE A 44 -7.619 -1.580 -10.673 1.00 0.00 N ATOM 641 CA ILE A 44 -6.593 -2.242 -11.478 1.00 0.00 C ATOM 642 C ILE A 44 -7.232 -2.951 -12.651 1.00 0.00 C ATOM 643 O ILE A 44 -8.329 -3.510 -12.558 1.00 0.00 O ATOM 644 CB ILE A 44 -5.681 -3.242 -10.649 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.369 -2.637 -10.047 1.00 0.00 C ATOM 646 CG2 ILE A 44 -5.272 -4.502 -11.477 1.00 0.00 C ATOM 647 CD1 ILE A 44 -3.656 -3.531 -9.004 1.00 0.00 C ATOM 0 H ILE A 44 -8.512 -2.073 -10.666 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.927 -1.458 -11.838 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.335 -3.504 -9.817 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.675 -2.430 -10.862 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.608 -1.681 -9.581 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.649 -5.154 -10.864 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.168 -5.041 -11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.713 -4.192 -12.360 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.759 -3.027 -8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.327 -3.718 -8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.379 -4.479 -9.466 1.00 0.00 H new ATOM 659 N SER A 45 -6.552 -2.912 -13.779 1.00 0.00 N ATOM 660 CA SER A 45 -6.923 -3.675 -14.968 1.00 0.00 C ATOM 661 C SER A 45 -5.693 -3.923 -15.813 1.00 0.00 C ATOM 662 O SER A 45 -5.248 -3.066 -16.586 1.00 0.00 O ATOM 663 CB SER A 45 -8.049 -2.978 -15.771 1.00 0.00 C ATOM 664 OG SER A 45 -8.860 -3.899 -16.510 1.00 0.00 O ATOM 0 H SER A 45 -5.714 -2.344 -13.904 1.00 0.00 H new ATOM 0 HA SER A 45 -7.328 -4.637 -14.655 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.682 -2.414 -15.085 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.605 -2.259 -16.460 1.00 0.00 H new ATOM 0 HG SER A 45 -9.554 -3.407 -16.996 1.00 0.00 H new ATOM 670 N PHE A 46 -5.139 -5.112 -15.695 1.00 0.00 N ATOM 671 CA PHE A 46 -3.837 -5.436 -16.284 1.00 0.00 C ATOM 672 C PHE A 46 -3.909 -6.230 -17.570 1.00 0.00 C ATOM 673 O PHE A 46 -4.750 -7.112 -17.765 1.00 0.00 O ATOM 674 CB PHE A 46 -3.035 -6.274 -15.236 1.00 0.00 C ATOM 675 CG PHE A 46 -2.634 -5.508 -13.965 1.00 0.00 C ATOM 676 CD1 PHE A 46 -2.610 -4.104 -13.994 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.357 -6.170 -12.768 1.00 0.00 C ATOM 678 CE1 PHE A 46 -2.366 -3.380 -12.833 1.00 0.00 C ATOM 679 CE2 PHE A 46 -2.114 -5.444 -11.605 1.00 0.00 C ATOM 680 CZ PHE A 46 -2.171 -4.052 -11.627 1.00 0.00 C ATOM 0 H PHE A 46 -5.570 -5.887 -15.191 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.360 -4.489 -16.535 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.634 -7.138 -14.948 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.132 -6.656 -15.712 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.782 -3.584 -14.925 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.331 -7.249 -12.744 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.328 -2.301 -12.865 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.881 -5.960 -10.685 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.064 -3.493 -10.709 1.00 0.00 H new ATOM 690 N TYR A 47 -3.015 -5.891 -18.488 1.00 0.00 N ATOM 691 CA TYR A 47 -2.819 -6.656 -19.715 1.00 0.00 C ATOM 692 C TYR A 47 -1.428 -6.415 -20.261 1.00 0.00 C ATOM 693 O TYR A 47 -1.164 -5.366 -20.867 1.00 0.00 O ATOM 694 CB TYR A 47 -3.862 -6.250 -20.799 1.00 0.00 C ATOM 695 CG TYR A 47 -4.099 -4.750 -21.018 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.863 -4.029 -20.095 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.570 -4.097 -22.136 1.00 0.00 C ATOM 698 CE1 TYR A 47 -5.175 -2.695 -20.337 1.00 0.00 C ATOM 699 CE2 TYR A 47 -3.874 -2.757 -22.368 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.642 -2.048 -21.449 1.00 0.00 C ATOM 701 OH TYR A 47 -4.875 -0.715 -21.640 1.00 0.00 O ATOM 0 H TYR A 47 -2.404 -5.078 -18.405 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.948 -7.711 -19.474 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.549 -6.685 -21.748 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.816 -6.708 -20.538 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.212 -4.509 -19.192 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.926 -4.631 -22.819 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.830 -2.162 -19.663 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.514 -2.268 -23.261 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.431 -0.420 -22.462 1.00 0.00 H new ATOM 711 N LYS A 48 -0.505 -7.337 -20.045 1.00 0.00 N ATOM 712 CA LYS A 48 0.880 -7.147 -20.485 1.00 0.00 C ATOM 713 C LYS A 48 0.928 -6.766 -21.948 1.00 0.00 C ATOM 714 O LYS A 48 1.789 -6.021 -22.426 1.00 0.00 O ATOM 715 CB LYS A 48 1.710 -8.433 -20.222 1.00 0.00 C ATOM 716 CG LYS A 48 3.122 -8.380 -20.861 1.00 0.00 C ATOM 717 CD LYS A 48 4.032 -9.571 -20.548 1.00 0.00 C ATOM 718 CE LYS A 48 5.401 -9.344 -21.207 1.00 0.00 C ATOM 719 NZ LYS A 48 6.297 -8.664 -20.255 1.00 0.00 N ATOM 0 H LYS A 48 -0.681 -8.223 -19.571 1.00 0.00 H new ATOM 0 HA LYS A 48 1.318 -6.331 -19.910 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.809 -8.582 -19.147 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.171 -9.295 -20.615 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.010 -8.305 -21.943 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.618 -7.468 -20.528 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.148 -9.683 -19.470 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.585 -10.494 -20.918 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.833 -10.297 -21.512 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.287 -8.743 -22.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.248 -8.586 -20.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.929 -7.713 -20.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.347 -9.213 -19.373 1.00 0.00 H new ATOM 733 N ASP A 49 -0.043 -7.273 -22.686 1.00 0.00 N ATOM 734 CA ASP A 49 -0.274 -6.913 -24.080 1.00 0.00 C ATOM 735 C ASP A 49 -1.694 -7.238 -24.484 1.00 0.00 C ATOM 736 O ASP A 49 -2.566 -7.529 -23.646 1.00 0.00 O ATOM 737 CB ASP A 49 0.771 -7.604 -24.995 1.00 0.00 C ATOM 738 CG ASP A 49 1.821 -6.694 -25.651 1.00 0.00 C ATOM 739 OD1 ASP A 49 1.322 -5.976 -26.701 1.00 0.00 O ATOM 740 OD2 ASP A 49 2.976 -6.621 -25.256 1.00 0.00 O ATOM 0 H ASP A 49 -0.708 -7.960 -22.330 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.147 -5.837 -24.197 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.294 -8.358 -24.406 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.236 -8.131 -25.785 1.00 0.00 H new ATOM 745 N GLN A 50 -1.976 -7.176 -25.772 1.00 0.00 N ATOM 746 CA GLN A 50 -3.274 -7.604 -26.291 1.00 0.00 C ATOM 747 C GLN A 50 -3.541 -9.066 -26.001 1.00 0.00 C ATOM 748 O GLN A 50 -4.693 -9.478 -25.833 1.00 0.00 O ATOM 749 CB GLN A 50 -3.307 -7.335 -27.812 1.00 0.00 C ATOM 750 CG GLN A 50 -4.700 -7.488 -28.508 1.00 0.00 C ATOM 751 CD GLN A 50 -5.024 -6.629 -29.736 1.00 0.00 C ATOM 752 OE1 GLN A 50 -6.177 -6.448 -30.094 1.00 0.00 O ATOM 753 NE2 GLN A 50 -4.055 -6.087 -30.429 1.00 0.00 N ATOM 0 H GLN A 50 -1.328 -6.835 -26.482 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.060 -7.036 -25.792 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.944 -6.323 -27.989 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.605 -8.014 -28.296 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.807 -8.532 -28.802 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.465 -7.288 -27.758 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.085 -6.227 -30.146 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.270 -5.525 -31.252 1.00 0.00 H new ATOM 762 N LYS A 51 -2.516 -9.882 -25.885 1.00 0.00 N ATOM 763 CA LYS A 51 -2.526 -11.347 -25.795 1.00 0.00 C ATOM 764 C LYS A 51 -3.862 -11.996 -25.503 1.00 0.00 C ATOM 765 O LYS A 51 -4.460 -12.711 -26.334 1.00 0.00 O ATOM 766 CB LYS A 51 -1.511 -11.731 -24.660 1.00 0.00 C ATOM 767 CG LYS A 51 -1.776 -10.938 -23.360 1.00 0.00 C ATOM 768 CD LYS A 51 -0.615 -10.465 -22.490 1.00 0.00 C ATOM 769 CE LYS A 51 0.699 -10.470 -23.276 1.00 0.00 C ATOM 770 NZ LYS A 51 1.257 -11.834 -23.292 1.00 0.00 N ATOM 0 H LYS A 51 -1.565 -9.516 -25.847 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.261 -11.723 -26.783 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.582 -12.799 -24.455 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.494 -11.539 -25.002 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.353 -10.055 -23.634 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.418 -11.556 -22.732 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.818 -9.460 -22.122 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.523 -11.112 -21.617 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.527 -10.124 -24.295 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.410 -9.780 -22.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.158 -11.847 -22.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.587 -12.488 -22.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.420 -12.131 -24.275 1.00 0.00 H new ATOM 784 N GLY A 52 -4.395 -11.748 -24.324 1.00 0.00 N ATOM 785 CA GLY A 52 -5.607 -12.446 -23.839 1.00 0.00 C ATOM 786 C GLY A 52 -6.795 -11.628 -24.350 1.00 0.00 C ATOM 787 O GLY A 52 -7.801 -12.123 -24.860 1.00 0.00 O ATOM 0 H GLY A 52 -4.017 -11.066 -23.667 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.646 -13.468 -24.215 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.614 -12.507 -22.751 1.00 0.00 H new ATOM 791 N TYR A 53 -6.620 -10.321 -24.224 1.00 0.00 N ATOM 792 CA TYR A 53 -7.528 -9.351 -24.821 1.00 0.00 C ATOM 793 C TYR A 53 -7.680 -9.613 -26.309 1.00 0.00 C ATOM 794 O TYR A 53 -8.620 -9.134 -26.962 1.00 0.00 O ATOM 795 CB TYR A 53 -6.983 -7.907 -24.617 1.00 0.00 C ATOM 796 CG TYR A 53 -7.552 -7.108 -23.439 1.00 0.00 C ATOM 797 CD1 TYR A 53 -8.256 -7.768 -22.427 1.00 0.00 C ATOM 798 CD2 TYR A 53 -7.367 -5.724 -23.361 1.00 0.00 C ATOM 799 CE1 TYR A 53 -8.717 -7.062 -21.320 1.00 0.00 C ATOM 800 CE2 TYR A 53 -7.822 -5.022 -22.247 1.00 0.00 C ATOM 801 CZ TYR A 53 -8.464 -5.697 -21.213 1.00 0.00 C ATOM 802 OH TYR A 53 -8.849 -5.016 -20.092 1.00 0.00 O ATOM 0 H TYR A 53 -5.847 -9.903 -23.707 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.498 -9.450 -24.333 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.902 -7.967 -24.494 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.169 -7.342 -25.531 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.443 -8.829 -22.505 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.871 -5.199 -24.164 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.270 -7.572 -20.545 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.676 -3.954 -22.186 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.596 -4.073 -20.179 1.00 0.00 H new ATOM 812 N LYS A 54 -6.757 -10.357 -26.900 1.00 0.00 N ATOM 813 CA LYS A 54 -6.736 -10.696 -28.320 1.00 0.00 C ATOM 814 C LYS A 54 -7.625 -11.880 -28.606 1.00 0.00 C ATOM 815 O LYS A 54 -8.535 -11.835 -29.441 1.00 0.00 O ATOM 816 CB LYS A 54 -5.264 -10.975 -28.748 1.00 0.00 C ATOM 817 CG LYS A 54 -4.970 -10.687 -30.239 1.00 0.00 C ATOM 818 CD LYS A 54 -4.308 -11.836 -31.005 1.00 0.00 C ATOM 819 CE LYS A 54 -3.493 -11.260 -32.171 1.00 0.00 C ATOM 820 NZ LYS A 54 -2.078 -11.153 -31.774 1.00 0.00 N ATOM 0 H LYS A 54 -5.972 -10.757 -26.387 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.125 -9.860 -28.901 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.598 -10.368 -28.134 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.028 -12.018 -28.538 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.906 -10.432 -30.735 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.326 -9.810 -30.303 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.660 -12.407 -30.340 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.066 -12.524 -31.380 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.589 -11.901 -33.047 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.879 -10.279 -32.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.525 -10.763 -32.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.995 -10.525 -30.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.714 -12.096 -31.529 1.00 0.00 H new ATOM 834 N SER A 55 -7.387 -12.967 -27.891 1.00 0.00 N ATOM 835 CA SER A 55 -8.172 -14.187 -28.060 1.00 0.00 C ATOM 836 C SER A 55 -9.379 -14.192 -27.151 1.00 0.00 C ATOM 837 O SER A 55 -10.528 -14.065 -27.588 1.00 0.00 O ATOM 838 CB SER A 55 -7.290 -15.442 -27.840 1.00 0.00 C ATOM 839 OG SER A 55 -5.903 -15.201 -28.099 1.00 0.00 O ATOM 0 H SER A 55 -6.654 -13.033 -27.184 1.00 0.00 H new ATOM 0 HA SER A 55 -8.540 -14.213 -29.086 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.408 -15.787 -26.813 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.641 -16.245 -28.488 1.00 0.00 H new ATOM 0 HG SER A 55 -5.393 -16.024 -27.943 1.00 0.00 H new ATOM 845 N ASN A 56 -9.136 -14.363 -25.865 1.00 0.00 N ATOM 846 CA ASN A 56 -10.193 -14.532 -24.872 1.00 0.00 C ATOM 847 C ASN A 56 -10.232 -13.359 -23.923 1.00 0.00 C ATOM 848 O ASN A 56 -9.366 -13.223 -23.053 1.00 0.00 O ATOM 849 CB ASN A 56 -9.962 -15.855 -24.083 1.00 0.00 C ATOM 850 CG ASN A 56 -10.092 -17.166 -24.866 1.00 0.00 C ATOM 851 OD1 ASN A 56 -9.416 -17.404 -25.856 1.00 0.00 O ATOM 852 ND2 ASN A 56 -10.937 -18.067 -24.446 1.00 0.00 N ATOM 0 H ASN A 56 -8.195 -14.389 -25.472 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.152 -14.581 -25.388 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.964 -15.819 -23.647 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.671 -15.884 -23.255 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.026 -18.954 -24.942 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.509 -17.885 -23.621 1.00 0.00 H new ATOM 859 N PRO A 57 -11.225 -12.500 -24.050 1.00 0.00 N ATOM 860 CA PRO A 57 -11.392 -11.190 -23.276 1.00 0.00 C ATOM 861 C PRO A 57 -11.658 -11.328 -21.793 1.00 0.00 C ATOM 862 O PRO A 57 -11.959 -10.320 -21.116 1.00 0.00 O ATOM 863 CB PRO A 57 -12.581 -10.476 -23.903 1.00 0.00 C ATOM 864 CG PRO A 57 -13.430 -11.652 -24.413 1.00 0.00 C ATOM 865 CD PRO A 57 -12.381 -12.625 -24.969 1.00 0.00 C ATOM 0 HA PRO A 57 -10.444 -10.656 -23.346 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.121 -9.868 -23.177 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.277 -9.811 -24.712 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.014 -12.104 -23.612 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.135 -11.336 -25.182 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -12.761 -13.646 -24.990 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.104 -12.366 -25.991 1.00 0.00 H new ATOM 873 N GLU A 58 -11.567 -12.516 -21.227 1.00 0.00 N ATOM 874 CA GLU A 58 -11.663 -12.699 -19.780 1.00 0.00 C ATOM 875 C GLU A 58 -10.330 -13.068 -19.168 1.00 0.00 C ATOM 876 O GLU A 58 -10.257 -13.399 -17.967 1.00 0.00 O ATOM 877 CB GLU A 58 -12.727 -13.797 -19.499 1.00 0.00 C ATOM 878 CG GLU A 58 -13.707 -14.161 -20.663 1.00 0.00 C ATOM 879 CD GLU A 58 -14.970 -13.315 -20.843 1.00 0.00 C ATOM 880 OE1 GLU A 58 -14.740 -12.102 -21.417 1.00 0.00 O ATOM 881 OE2 GLU A 58 -16.081 -13.697 -20.502 1.00 0.00 O ATOM 0 H GLU A 58 -11.425 -13.381 -21.748 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.962 -11.758 -19.319 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.204 -14.706 -19.202 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.323 -13.478 -18.644 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.144 -14.120 -21.596 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.018 -15.196 -20.524 1.00 0.00 H new ATOM 888 N LEU A 59 -9.248 -13.020 -19.921 1.00 0.00 N ATOM 889 CA LEU A 59 -7.948 -13.500 -19.455 1.00 0.00 C ATOM 890 C LEU A 59 -6.827 -12.906 -20.275 1.00 0.00 C ATOM 891 O LEU A 59 -6.522 -13.404 -21.380 1.00 0.00 O ATOM 892 CB LEU A 59 -7.897 -15.054 -19.497 1.00 0.00 C ATOM 893 CG LEU A 59 -9.014 -15.856 -18.774 1.00 0.00 C ATOM 894 CD1 LEU A 59 -9.014 -17.347 -19.158 1.00 0.00 C ATOM 895 CD2 LEU A 59 -8.866 -15.716 -17.253 1.00 0.00 C ATOM 0 H LEU A 59 -9.238 -12.649 -20.871 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.815 -13.177 -18.422 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.897 -15.357 -20.544 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.941 -15.365 -19.076 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.966 -15.435 -19.097 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.814 -17.860 -18.624 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.172 -17.446 -20.232 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.056 -17.792 -18.890 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.654 -16.282 -16.757 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.894 -16.101 -16.945 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.944 -14.665 -16.975 1.00 0.00 H new ATOM 907 N THR A 60 -6.169 -11.870 -19.790 1.00 0.00 N ATOM 908 CA THR A 60 -5.172 -11.155 -20.589 1.00 0.00 C ATOM 909 C THR A 60 -3.853 -11.899 -20.578 1.00 0.00 C ATOM 910 O THR A 60 -3.780 -12.999 -21.190 1.00 0.00 O ATOM 911 CB THR A 60 -5.025 -9.675 -20.093 1.00 0.00 C ATOM 912 OG1 THR A 60 -5.088 -9.598 -18.677 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.118 -8.694 -20.577 1.00 0.00 C ATOM 0 H THR A 60 -6.301 -11.500 -18.849 1.00 0.00 H new ATOM 0 HA THR A 60 -5.510 -11.113 -21.624 1.00 0.00 H new ATOM 0 HB THR A 60 -4.062 -9.384 -20.513 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.182 -8.661 -18.404 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.919 -7.700 -20.175 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.113 -8.653 -21.666 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.093 -9.036 -20.231 1.00 0.00 H new ATOM 921 N PHE A 61 -2.798 -11.404 -19.964 1.00 0.00 N ATOM 922 CA PHE A 61 -1.504 -12.103 -19.972 1.00 0.00 C ATOM 923 C PHE A 61 -1.390 -13.119 -18.858 1.00 0.00 C ATOM 924 O PHE A 61 -0.290 -13.637 -18.583 1.00 0.00 O ATOM 925 CB PHE A 61 -0.346 -11.074 -19.818 1.00 0.00 C ATOM 926 CG PHE A 61 0.383 -10.827 -18.489 1.00 0.00 C ATOM 927 CD1 PHE A 61 1.479 -11.622 -18.139 1.00 0.00 C ATOM 928 CD2 PHE A 61 0.007 -9.766 -17.659 1.00 0.00 C ATOM 929 CE1 PHE A 61 2.212 -11.343 -16.991 1.00 0.00 C ATOM 930 CE2 PHE A 61 0.749 -9.479 -16.516 1.00 0.00 C ATOM 931 CZ PHE A 61 1.870 -10.246 -16.204 1.00 0.00 C ATOM 0 H PHE A 61 -2.798 -10.523 -19.451 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.435 -12.629 -20.924 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.418 -11.358 -20.542 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.744 -10.110 -20.136 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.758 -12.457 -18.764 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.859 -9.169 -17.905 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.043 -11.974 -16.711 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.456 -8.663 -15.872 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.476 -9.989 -15.348 1.00 0.00 H new ATOM 941 N ARG A 62 -2.469 -13.433 -18.174 1.00 0.00 N ATOM 942 CA ARG A 62 -2.509 -14.260 -16.963 1.00 0.00 C ATOM 943 C ARG A 62 -2.107 -13.451 -15.754 1.00 0.00 C ATOM 944 O ARG A 62 -2.489 -13.811 -14.608 1.00 0.00 O ATOM 945 CB ARG A 62 -1.623 -15.523 -17.143 1.00 0.00 C ATOM 946 CG ARG A 62 -2.320 -16.854 -16.743 1.00 0.00 C ATOM 947 CD ARG A 62 -1.335 -17.909 -16.227 1.00 0.00 C ATOM 948 NE ARG A 62 -2.103 -18.984 -15.549 1.00 0.00 N ATOM 949 CZ ARG A 62 -1.840 -20.282 -15.612 1.00 0.00 C ATOM 950 NH1 ARG A 62 -0.833 -20.798 -16.253 1.00 0.00 N ATOM 951 NH2 ARG A 62 -2.639 -21.081 -14.995 1.00 0.00 N ATOM 0 H ARG A 62 -3.395 -13.107 -18.453 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.531 -14.599 -16.797 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.311 -15.588 -18.185 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.718 -15.406 -16.546 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.065 -16.652 -15.973 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.854 -17.253 -17.606 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.756 -18.322 -17.053 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.625 -17.457 -15.534 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.904 -18.699 -14.985 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.182 -20.192 -16.752 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.695 -21.809 -16.257 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.438 -20.708 -14.483 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.473 -22.087 -15.018 1.00 0.00 H new ATOM 965 N GLY A 63 -1.335 -12.398 -15.886 1.00 0.00 N ATOM 966 CA GLY A 63 -1.121 -11.394 -14.813 1.00 0.00 C ATOM 967 C GLY A 63 -2.188 -10.306 -15.115 1.00 0.00 C ATOM 968 O GLY A 63 -1.951 -9.103 -15.206 1.00 0.00 O ATOM 0 H GLY A 63 -0.822 -12.191 -16.743 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.260 -11.829 -13.823 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.111 -10.985 -14.842 1.00 0.00 H new ATOM 972 N GLU A 64 -3.386 -10.820 -15.290 1.00 0.00 N ATOM 973 CA GLU A 64 -4.527 -10.072 -15.810 1.00 0.00 C ATOM 974 C GLU A 64 -5.353 -9.304 -14.801 1.00 0.00 C ATOM 975 O GLU A 64 -6.011 -8.313 -15.169 1.00 0.00 O ATOM 976 CB GLU A 64 -5.436 -11.133 -16.520 1.00 0.00 C ATOM 977 CG GLU A 64 -5.898 -12.348 -15.651 1.00 0.00 C ATOM 978 CD GLU A 64 -7.275 -12.292 -14.986 1.00 0.00 C ATOM 979 OE1 GLU A 64 -8.267 -11.861 -15.814 1.00 0.00 O ATOM 980 OE2 GLU A 64 -7.464 -12.607 -13.818 1.00 0.00 O ATOM 0 H GLU A 64 -3.606 -11.792 -15.072 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.133 -9.292 -16.462 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.324 -10.625 -16.896 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.898 -11.518 -17.387 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.872 -13.236 -16.283 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.157 -12.494 -14.865 1.00 0.00 H new ATOM 987 N PRO A 65 -5.390 -9.683 -13.542 1.00 0.00 N ATOM 988 CA PRO A 65 -6.231 -9.178 -12.366 1.00 0.00 C ATOM 989 C PRO A 65 -6.634 -7.709 -12.311 1.00 0.00 C ATOM 990 O PRO A 65 -6.192 -6.815 -13.036 1.00 0.00 O ATOM 991 CB PRO A 65 -5.369 -9.445 -11.138 1.00 0.00 C ATOM 992 CG PRO A 65 -4.810 -10.835 -11.481 1.00 0.00 C ATOM 993 CD PRO A 65 -4.544 -10.791 -12.983 1.00 0.00 C ATOM 0 HA PRO A 65 -7.188 -9.694 -12.449 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.582 -8.701 -11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.951 -9.449 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.896 -11.042 -10.924 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.522 -11.621 -11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.488 -10.610 -13.183 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.798 -11.743 -13.448 1.00 0.00 H new ATOM 1001 N SER A 66 -7.526 -7.435 -11.349 1.00 0.00 N ATOM 1002 CA SER A 66 -8.158 -6.129 -11.185 1.00 0.00 C ATOM 1003 C SER A 66 -8.372 -5.799 -9.722 1.00 0.00 C ATOM 1004 O SER A 66 -8.426 -6.698 -8.866 1.00 0.00 O ATOM 1005 CB SER A 66 -9.488 -6.058 -11.975 1.00 0.00 C ATOM 1006 OG SER A 66 -10.421 -7.073 -11.584 1.00 0.00 O ATOM 0 H SER A 66 -7.828 -8.123 -10.659 1.00 0.00 H new ATOM 0 HA SER A 66 -7.482 -5.378 -11.594 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.941 -5.078 -11.827 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.278 -6.155 -13.040 1.00 0.00 H new ATOM 0 HG SER A 66 -11.242 -6.983 -12.111 1.00 0.00 H new ATOM 1012 N TYR A 67 -8.504 -4.527 -9.386 1.00 0.00 N ATOM 1013 CA TYR A 67 -8.593 -4.087 -7.990 1.00 0.00 C ATOM 1014 C TYR A 67 -9.667 -3.034 -7.813 1.00 0.00 C ATOM 1015 O TYR A 67 -10.083 -2.332 -8.738 1.00 0.00 O ATOM 1016 CB TYR A 67 -7.235 -3.496 -7.501 1.00 0.00 C ATOM 1017 CG TYR A 67 -6.117 -4.511 -7.231 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -5.685 -5.403 -8.216 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -5.521 -4.558 -5.960 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -4.720 -6.365 -7.922 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.576 -5.534 -5.661 1.00 0.00 C ATOM 1022 CZ TYR A 67 -4.181 -6.441 -6.640 1.00 0.00 C ATOM 1023 OH TYR A 67 -3.266 -7.411 -6.342 1.00 0.00 O ATOM 0 H TYR A 67 -8.553 -3.767 -10.065 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.845 -4.966 -7.398 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.881 -2.786 -8.248 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.416 -2.932 -6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.101 -5.347 -9.211 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.798 -3.832 -5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.390 -7.051 -8.688 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.149 -5.588 -4.670 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.990 -7.323 -5.406 1.00 0.00 H new ATOM 1033 N ASP A 68 -10.165 -2.938 -6.591 1.00 0.00 N ATOM 1034 CA ASP A 68 -11.090 -1.890 -6.167 1.00 0.00 C ATOM 1035 C ASP A 68 -10.562 -1.219 -4.916 1.00 0.00 C ATOM 1036 O ASP A 68 -10.821 -1.628 -3.780 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.522 -2.453 -5.972 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.490 -1.596 -5.143 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -14.095 -0.616 -5.880 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -13.674 -1.767 -3.947 1.00 0.00 O ATOM 0 H ASP A 68 -9.935 -3.598 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.159 -1.135 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.963 -2.610 -6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.442 -3.432 -5.498 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.781 -0.176 -5.125 1.00 0.00 N ATOM 1046 CA LEU A 69 -9.030 0.483 -4.057 1.00 0.00 C ATOM 1047 C LEU A 69 -9.385 1.934 -3.834 1.00 0.00 C ATOM 1048 O LEU A 69 -8.502 2.837 -3.984 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.502 0.342 -4.373 1.00 0.00 C ATOM 1050 CG LEU A 69 -7.059 -0.769 -5.360 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -6.896 -0.170 -6.768 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.758 -1.476 -4.953 1.00 0.00 C ATOM 0 H LEU A 69 -9.645 0.245 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.299 -0.016 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.154 1.297 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.980 0.178 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.843 -1.527 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.585 -0.951 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.847 0.250 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.141 0.616 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.513 -2.240 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.949 -0.748 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.888 -1.943 -3.977 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.611 2.294 -3.516 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.925 3.648 -3.058 1.00 0.00 C ATOM 1066 C GLN A 70 -10.673 3.714 -1.564 1.00 0.00 C ATOM 1067 O GLN A 70 -11.548 3.751 -0.697 1.00 0.00 O ATOM 1068 CB GLN A 70 -12.362 4.029 -3.482 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.361 4.742 -4.912 1.00 0.00 C ATOM 1070 CD GLN A 70 -13.619 4.914 -5.746 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -13.731 5.833 -6.551 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -14.630 4.090 -5.605 1.00 0.00 N ATOM 0 H GLN A 70 -11.416 1.670 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.281 4.393 -3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.985 3.135 -3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.801 4.695 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.950 5.740 -4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.650 4.195 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.568 3.316 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.478 4.224 -6.156 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.378 3.774 -1.267 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.844 3.577 0.070 1.00 0.00 C ATOM 1083 C ASN A 71 -7.381 3.940 0.159 1.00 0.00 C ATOM 1084 O ASN A 71 -6.923 4.613 1.087 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.039 2.070 0.445 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.452 1.500 0.285 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -10.823 1.090 -0.901 1.00 0.00 O flip ATOM 1088 ND2 ASN A 71 -11.254 1.433 1.204 1.00 0.00 N flip ATOM 0 H ASN A 71 -8.659 3.965 -1.965 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.375 4.231 0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.361 1.476 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.733 1.935 1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.988 1.747 2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.190 1.063 1.038 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.620 3.455 -0.811 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.166 3.572 -0.812 1.00 0.00 C ATOM 1097 C ALA A 72 -4.713 5.015 -0.751 1.00 0.00 C ATOM 1098 O ALA A 72 -5.496 5.965 -0.663 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.644 2.848 -2.067 1.00 0.00 C ATOM 0 H ALA A 72 -6.994 2.966 -1.625 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.752 3.106 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.557 2.916 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.941 1.800 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.064 3.315 -2.958 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.404 5.198 -0.824 1.00 0.00 N ATOM 1106 CA ALA A 73 -2.776 6.503 -0.638 1.00 0.00 C ATOM 1107 C ALA A 73 -1.862 6.830 -1.795 1.00 0.00 C ATOM 1108 O ALA A 73 -1.795 6.109 -2.799 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.042 6.478 0.714 1.00 0.00 C ATOM 0 H ALA A 73 -2.742 4.445 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.523 7.297 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.560 7.441 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.758 6.284 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.287 5.692 0.704 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.119 7.915 -1.668 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.208 8.347 -2.725 1.00 0.00 C ATOM 1117 C ILE A 74 1.103 8.835 -2.153 1.00 0.00 C ATOM 1118 O ILE A 74 1.151 9.585 -1.172 1.00 0.00 O ATOM 1119 CB ILE A 74 -0.883 9.435 -3.656 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -1.497 8.870 -4.977 1.00 0.00 C ATOM 1121 CG2 ILE A 74 0.089 10.596 -4.032 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -1.937 9.920 -6.018 1.00 0.00 C ATOM 0 H ILE A 74 -1.125 8.517 -0.844 1.00 0.00 H new ATOM 0 HA ILE A 74 0.013 7.481 -3.348 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.697 9.813 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.765 8.210 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.361 8.257 -4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.429 11.311 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.425 11.097 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.950 10.192 -4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.347 9.415 -6.893 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.698 10.568 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.077 10.520 -6.315 1.00 0.00 H new ATOM 1134 N GLU A 75 2.191 8.423 -2.778 1.00 0.00 N ATOM 1135 CA GLU A 75 3.525 8.912 -2.442 1.00 0.00 C ATOM 1136 C GLU A 75 4.508 8.593 -3.544 1.00 0.00 C ATOM 1137 O GLU A 75 4.345 7.629 -4.303 1.00 0.00 O ATOM 1138 CB GLU A 75 3.964 8.275 -1.094 1.00 0.00 C ATOM 1139 CG GLU A 75 5.368 8.681 -0.535 1.00 0.00 C ATOM 1140 CD GLU A 75 5.634 8.511 0.962 1.00 0.00 C ATOM 1141 OE1 GLU A 75 5.747 7.212 1.356 1.00 0.00 O ATOM 1142 OE2 GLU A 75 5.736 9.458 1.732 1.00 0.00 O ATOM 0 H GLU A 75 2.179 7.739 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 75 3.503 9.997 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.216 8.526 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.947 7.191 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.119 8.103 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.534 9.729 -0.784 1.00 0.00 H new ATOM 1149 N ILE A 76 5.540 9.407 -3.661 1.00 0.00 N ATOM 1150 CA ILE A 76 6.596 9.181 -4.644 1.00 0.00 C ATOM 1151 C ILE A 76 7.841 8.634 -3.985 1.00 0.00 C ATOM 1152 O ILE A 76 8.025 8.718 -2.766 1.00 0.00 O ATOM 1153 CB ILE A 76 6.897 10.493 -5.477 1.00 0.00 C ATOM 1154 CG1 ILE A 76 5.727 10.962 -6.399 1.00 0.00 C ATOM 1155 CG2 ILE A 76 8.184 10.373 -6.351 1.00 0.00 C ATOM 1156 CD1 ILE A 76 6.134 11.777 -7.644 1.00 0.00 C ATOM 0 H ILE A 76 5.675 10.238 -3.085 1.00 0.00 H new ATOM 0 HA ILE A 76 6.244 8.429 -5.350 1.00 0.00 H new ATOM 0 HB ILE A 76 7.039 11.245 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.176 10.082 -6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.040 11.564 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.339 11.302 -6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.044 10.183 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.069 9.550 -7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.242 12.048 -8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.655 12.682 -7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.793 11.177 -8.272 1.00 0.00 H new ATOM 1168 N ALA A 77 8.708 8.044 -4.788 1.00 0.00 N ATOM 1169 CA ALA A 77 9.906 7.380 -4.282 1.00 0.00 C ATOM 1170 C ALA A 77 10.711 8.311 -3.406 1.00 0.00 C ATOM 1171 O ALA A 77 10.711 8.212 -2.174 1.00 0.00 O ATOM 1172 CB ALA A 77 10.703 6.865 -5.493 1.00 0.00 C ATOM 0 H ALA A 77 8.607 8.009 -5.802 1.00 0.00 H new ATOM 0 HA ALA A 77 9.641 6.535 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.606 6.363 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.091 6.163 -6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.977 7.704 -6.132 1.00 0.00 H new ATOM 1236 N LYS A 82 17.313 6.827 -10.736 1.00 0.00 N ATOM 1237 CA LYS A 82 16.708 6.445 -12.011 1.00 0.00 C ATOM 1238 C LYS A 82 15.235 6.143 -11.827 1.00 0.00 C ATOM 1239 O LYS A 82 14.417 6.421 -12.726 1.00 0.00 O ATOM 1240 CB LYS A 82 17.480 5.250 -12.641 1.00 0.00 C ATOM 1241 CG LYS A 82 16.819 3.857 -12.534 1.00 0.00 C ATOM 1242 CD LYS A 82 16.423 3.226 -13.875 1.00 0.00 C ATOM 1243 CE LYS A 82 16.816 1.743 -13.875 1.00 0.00 C ATOM 1244 NZ LYS A 82 17.599 1.442 -15.087 1.00 0.00 N ATOM 0 HA LYS A 82 16.782 7.280 -12.707 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.641 5.469 -13.697 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.463 5.196 -12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.505 3.184 -12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.928 3.940 -11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.350 3.329 -14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.919 3.745 -14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.400 1.511 -12.985 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.923 1.119 -13.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.866 0.437 -15.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.027 1.649 -15.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.458 2.028 -15.100 1.00 0.00 H new ATOM 1258 N LYS A 83 14.843 5.557 -10.715 1.00 0.00 N ATOM 1259 CA LYS A 83 13.438 5.384 -10.348 1.00 0.00 C ATOM 1260 C LYS A 83 12.875 6.602 -9.648 1.00 0.00 C ATOM 1261 O LYS A 83 11.707 6.628 -9.238 1.00 0.00 O ATOM 1262 CB LYS A 83 13.314 4.140 -9.425 1.00 0.00 C ATOM 1263 CG LYS A 83 13.984 2.871 -10.005 1.00 0.00 C ATOM 1264 CD LYS A 83 13.186 1.576 -9.826 1.00 0.00 C ATOM 1265 CE LYS A 83 14.107 0.490 -9.255 1.00 0.00 C ATOM 1266 NZ LYS A 83 14.177 0.629 -7.789 1.00 0.00 N ATOM 0 H LYS A 83 15.494 5.180 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 83 12.861 5.245 -11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.763 4.369 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.259 3.934 -9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.161 3.026 -11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.959 2.747 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.343 1.744 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.774 1.254 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.731 -0.498 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.104 0.578 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.801 -0.106 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.555 1.567 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.225 0.524 -7.385 1.00 0.00 H new ATOM 1280 N LYS A 84 13.685 7.635 -9.466 1.00 0.00 N ATOM 1281 CA LYS A 84 13.270 8.889 -8.806 1.00 0.00 C ATOM 1282 C LYS A 84 12.321 9.776 -9.599 1.00 0.00 C ATOM 1283 O LYS A 84 12.096 10.940 -9.260 1.00 0.00 O ATOM 1284 CB LYS A 84 14.547 9.708 -8.457 1.00 0.00 C ATOM 1285 CG LYS A 84 14.628 10.209 -6.994 1.00 0.00 C ATOM 1286 CD LYS A 84 15.442 11.496 -6.807 1.00 0.00 C ATOM 1287 CE LYS A 84 14.492 12.665 -6.512 1.00 0.00 C ATOM 1288 NZ LYS A 84 14.048 13.272 -7.780 1.00 0.00 N ATOM 0 H LYS A 84 14.658 7.638 -9.770 1.00 0.00 H new ATOM 0 HA LYS A 84 12.705 8.582 -7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.422 9.092 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.600 10.569 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.616 10.377 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.067 9.424 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.151 11.374 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.024 11.704 -7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.631 12.313 -5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.996 13.410 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.516 14.143 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.877 13.499 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.437 12.603 -8.290 1.00 0.00 H new ATOM 1302 N HIS A 85 11.787 9.224 -10.668 1.00 0.00 N ATOM 1303 CA HIS A 85 10.732 9.872 -11.440 1.00 0.00 C ATOM 1304 C HIS A 85 9.529 8.950 -11.531 1.00 0.00 C ATOM 1305 O HIS A 85 8.837 8.815 -12.542 1.00 0.00 O ATOM 1306 CB HIS A 85 11.321 10.187 -12.825 1.00 0.00 C ATOM 1307 CG HIS A 85 11.612 8.983 -13.670 1.00 0.00 C ATOM 1308 ND1 HIS A 85 10.680 8.260 -14.410 1.00 0.00 N ATOM 1309 CD2 HIS A 85 12.889 8.454 -13.806 1.00 0.00 C ATOM 1310 CE1 HIS A 85 11.487 7.328 -14.951 1.00 0.00 C ATOM 1311 NE2 HIS A 85 12.812 7.370 -14.643 1.00 0.00 N ATOM 0 H HIS A 85 12.068 8.313 -11.032 1.00 0.00 H new ATOM 0 HA HIS A 85 10.390 10.794 -10.970 1.00 0.00 H new ATOM 0 HB2 HIS A 85 10.626 10.832 -13.362 1.00 0.00 H new ATOM 0 HB3 HIS A 85 12.243 10.753 -12.693 1.00 0.00 H new ATOM 0 HD1 HIS A 85 9.674 8.397 -14.513 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.785 8.830 -13.335 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.094 6.569 -15.611 1.00 0.00 H new ATOM 1319 N VAL A 86 9.253 8.299 -10.408 1.00 0.00 N ATOM 1320 CA VAL A 86 8.236 7.258 -10.302 1.00 0.00 C ATOM 1321 C VAL A 86 7.216 7.605 -9.243 1.00 0.00 C ATOM 1322 O VAL A 86 7.545 8.174 -8.191 1.00 0.00 O ATOM 1323 CB VAL A 86 8.932 5.874 -9.984 1.00 0.00 C ATOM 1324 CG1 VAL A 86 9.196 5.566 -8.484 1.00 0.00 C ATOM 1325 CG2 VAL A 86 8.165 4.644 -10.527 1.00 0.00 C ATOM 0 H VAL A 86 9.738 8.482 -9.529 1.00 0.00 H new ATOM 0 HA VAL A 86 7.707 7.180 -11.252 1.00 0.00 H new ATOM 0 HB VAL A 86 9.882 6.020 -10.497 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.676 4.592 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.847 6.333 -8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.250 5.557 -7.942 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.706 3.734 -10.268 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.169 4.612 -10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.079 4.719 -11.611 1.00 0.00 H new ATOM 1335 N LEU A 87 5.965 7.256 -9.478 1.00 0.00 N ATOM 1336 CA LEU A 87 4.904 7.441 -8.490 1.00 0.00 C ATOM 1337 C LEU A 87 4.375 6.111 -8.003 1.00 0.00 C ATOM 1338 O LEU A 87 4.636 5.061 -8.601 1.00 0.00 O ATOM 1339 CB LEU A 87 3.759 8.314 -9.077 1.00 0.00 C ATOM 1340 CG LEU A 87 3.276 7.981 -10.519 1.00 0.00 C ATOM 1341 CD1 LEU A 87 1.790 8.312 -10.732 1.00 0.00 C ATOM 1342 CD2 LEU A 87 4.131 8.736 -11.545 1.00 0.00 C ATOM 0 H LEU A 87 5.651 6.838 -10.353 1.00 0.00 H new ATOM 0 HA LEU A 87 5.327 7.963 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.901 8.240 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.086 9.354 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 87 3.392 6.906 -10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.504 8.061 -11.753 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.185 7.734 -10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.626 9.376 -10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.787 8.498 -12.551 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.040 9.809 -11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.174 8.439 -11.439 1.00 0.00 H new ATOM 1354 N ARG A 88 3.644 6.135 -6.905 1.00 0.00 N ATOM 1355 CA ARG A 88 3.192 4.909 -6.248 1.00 0.00 C ATOM 1356 C ARG A 88 1.910 5.121 -5.473 1.00 0.00 C ATOM 1357 O ARG A 88 1.697 6.163 -4.843 1.00 0.00 O ATOM 1358 CB ARG A 88 4.326 4.401 -5.315 1.00 0.00 C ATOM 1359 CG ARG A 88 5.652 4.020 -6.023 1.00 0.00 C ATOM 1360 CD ARG A 88 6.865 4.107 -5.086 1.00 0.00 C ATOM 1361 NE ARG A 88 6.578 3.302 -3.872 1.00 0.00 N ATOM 1362 CZ ARG A 88 7.138 3.475 -2.682 1.00 0.00 C ATOM 1363 NH1 ARG A 88 8.024 4.388 -2.414 1.00 0.00 N ATOM 1364 NH2 ARG A 88 6.775 2.685 -1.735 1.00 0.00 N ATOM 0 H ARG A 88 3.345 6.993 -6.441 1.00 0.00 H new ATOM 0 HA ARG A 88 2.972 4.161 -7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.538 5.173 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.962 3.530 -4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.572 3.006 -6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.808 4.681 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.758 3.733 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.062 5.144 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 88 5.892 2.552 -3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.331 5.030 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.412 4.462 -1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.081 1.959 -1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.181 2.784 -0.805 1.00 0.00 H new ATOM 1378 N VAL A 89 1.030 4.138 -5.515 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.182 4.128 -4.696 1.00 0.00 C ATOM 1380 C VAL A 89 -0.221 2.892 -3.826 1.00 0.00 C ATOM 1381 O VAL A 89 0.026 1.769 -4.290 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.473 4.212 -5.602 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -1.564 3.180 -6.765 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -2.797 4.085 -4.802 1.00 0.00 C ATOM 0 H VAL A 89 1.130 3.320 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.165 5.005 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.356 5.208 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.491 3.334 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.716 3.313 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.548 2.169 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.643 4.151 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.821 3.124 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.858 4.890 -4.070 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.552 3.060 -2.559 1.00 0.00 N ATOM 1395 CA LYS A 90 -0.478 1.962 -1.596 1.00 0.00 C ATOM 1396 C LYS A 90 -1.776 1.797 -0.836 1.00 0.00 C ATOM 1397 O LYS A 90 -2.388 2.748 -0.342 1.00 0.00 O ATOM 1398 CB LYS A 90 0.703 2.219 -0.620 1.00 0.00 C ATOM 1399 CG LYS A 90 1.853 3.042 -1.254 1.00 0.00 C ATOM 1400 CD LYS A 90 3.200 2.924 -0.536 1.00 0.00 C ATOM 1401 CE LYS A 90 3.119 3.654 0.812 1.00 0.00 C ATOM 1402 NZ LYS A 90 3.494 5.067 0.626 1.00 0.00 N ATOM 0 H LYS A 90 -0.876 3.944 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.307 1.033 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.331 2.745 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.096 1.262 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.980 2.725 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.560 4.092 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.452 1.875 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.992 3.355 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.109 3.584 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.784 3.182 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.440 5.564 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.465 5.123 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.842 5.513 -0.050 1.00 0.00 H new ATOM 1416 N LEU A 91 -2.202 0.550 -0.713 1.00 0.00 N ATOM 1417 CA LEU A 91 -3.488 0.209 -0.110 1.00 0.00 C ATOM 1418 C LEU A 91 -3.311 -0.041 1.367 1.00 0.00 C ATOM 1419 O LEU A 91 -2.416 0.542 2.009 1.00 0.00 O ATOM 1420 CB LEU A 91 -4.151 -1.034 -0.787 1.00 0.00 C ATOM 1421 CG LEU A 91 -4.024 -1.265 -2.323 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -2.903 -0.446 -2.991 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -3.821 -2.757 -2.666 1.00 0.00 C ATOM 0 H LEU A 91 -1.667 -0.259 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.156 1.056 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.749 -1.920 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.215 -0.996 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.974 -0.915 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.880 -0.663 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.090 0.617 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.944 -0.712 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.737 -2.874 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.910 -3.119 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.673 -3.333 -2.304 1.00 0.00 H new ATOM 1435 N ALA A 92 -4.128 -0.896 1.951 1.00 0.00 N ATOM 1436 CA ALA A 92 -3.921 -1.332 3.331 1.00 0.00 C ATOM 1437 C ALA A 92 -3.608 -2.809 3.387 1.00 0.00 C ATOM 1438 O ALA A 92 -3.970 -3.519 4.331 1.00 0.00 O ATOM 1439 CB ALA A 92 -5.175 -0.954 4.138 1.00 0.00 C ATOM 0 H ALA A 92 -4.944 -1.306 1.497 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.058 -0.833 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.049 -1.268 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.320 0.126 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.046 -1.452 3.711 1.00 0.00 H new ATOM 1445 N ASN A 93 -2.910 -3.293 2.375 1.00 0.00 N ATOM 1446 CA ASN A 93 -2.411 -4.666 2.367 1.00 0.00 C ATOM 1447 C ASN A 93 -1.045 -4.758 1.725 1.00 0.00 C ATOM 1448 O ASN A 93 -0.629 -5.842 1.271 1.00 0.00 O ATOM 1449 CB ASN A 93 -3.427 -5.581 1.623 1.00 0.00 C ATOM 1450 CG ASN A 93 -3.363 -5.588 0.093 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -4.157 -4.794 -0.573 1.00 0.00 O flip ATOM 1452 ND2 ASN A 93 -2.594 -6.310 -0.526 1.00 0.00 N flip ATOM 0 H ASN A 93 -2.672 -2.756 1.541 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.306 -5.001 3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.282 -6.603 1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.433 -5.282 1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.966 -6.937 -0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.580 -6.285 -1.546 1.00 0.00 H new ATOM 1459 N GLY A 94 -0.305 -3.667 1.662 1.00 0.00 N ATOM 1460 CA GLY A 94 1.077 -3.697 1.195 1.00 0.00 C ATOM 1461 C GLY A 94 1.203 -3.672 -0.309 1.00 0.00 C ATOM 1462 O GLY A 94 2.320 -3.498 -0.842 1.00 0.00 O ATOM 0 H GLY A 94 -0.637 -2.740 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.612 -2.843 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.563 -4.595 1.578 1.00 0.00 H new ATOM 1466 N ALA A 95 0.118 -3.816 -1.044 1.00 0.00 N ATOM 1467 CA ALA A 95 0.186 -3.951 -2.501 1.00 0.00 C ATOM 1468 C ALA A 95 0.357 -2.610 -3.177 1.00 0.00 C ATOM 1469 O ALA A 95 -0.619 -1.908 -3.478 1.00 0.00 O ATOM 1470 CB ALA A 95 -1.089 -4.684 -2.954 1.00 0.00 C ATOM 0 H ALA A 95 -0.828 -3.844 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 95 1.063 -4.530 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.075 -4.804 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.132 -5.665 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.965 -4.103 -2.665 1.00 0.00 H new ATOM 1476 N LEU A 96 1.591 -2.231 -3.455 1.00 0.00 N ATOM 1477 CA LEU A 96 1.882 -0.920 -4.032 1.00 0.00 C ATOM 1478 C LEU A 96 1.892 -0.968 -5.542 1.00 0.00 C ATOM 1479 O LEU A 96 2.448 -1.882 -6.162 1.00 0.00 O ATOM 1480 CB LEU A 96 3.235 -0.378 -3.487 1.00 0.00 C ATOM 1481 CG LEU A 96 4.371 -1.393 -3.190 1.00 0.00 C ATOM 1482 CD1 LEU A 96 5.733 -0.789 -3.566 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.396 -1.844 -1.720 1.00 0.00 C ATOM 0 H LEU A 96 2.414 -2.811 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 96 1.086 -0.238 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.617 0.346 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.028 0.167 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 96 4.171 -2.275 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.522 -1.510 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.742 -0.544 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.903 0.117 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.210 -2.553 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.547 -0.978 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.449 -2.322 -1.470 1.00 0.00 H new ATOM 1495 N PHE A 97 1.271 0.019 -6.165 1.00 0.00 N ATOM 1496 CA PHE A 97 1.324 0.179 -7.617 1.00 0.00 C ATOM 1497 C PHE A 97 2.259 1.308 -7.989 1.00 0.00 C ATOM 1498 O PHE A 97 1.862 2.475 -8.076 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.107 0.464 -8.181 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.214 -0.443 -7.624 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -0.894 -1.682 -7.053 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.544 -0.011 -7.628 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -1.895 -2.471 -6.494 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -3.552 -0.841 -7.150 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.227 -2.069 -6.577 1.00 0.00 C ATOM 0 H PHE A 97 0.718 0.730 -5.687 1.00 0.00 H new ATOM 0 HA PHE A 97 1.700 -0.746 -8.054 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.366 1.501 -7.968 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.082 0.358 -9.266 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.130 -2.025 -7.047 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.789 0.971 -8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.640 -3.395 -5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.585 -0.534 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.008 -2.710 -6.197 1.00 0.00 H new ATOM 1515 N LEU A 98 3.525 0.977 -8.186 1.00 0.00 N ATOM 1516 CA LEU A 98 4.525 1.967 -8.591 1.00 0.00 C ATOM 1517 C LEU A 98 4.409 2.262 -10.068 1.00 0.00 C ATOM 1518 O LEU A 98 3.906 1.418 -10.840 1.00 0.00 O ATOM 1519 CB LEU A 98 5.970 1.500 -8.244 1.00 0.00 C ATOM 1520 CG LEU A 98 6.172 0.566 -7.020 1.00 0.00 C ATOM 1521 CD1 LEU A 98 7.643 0.591 -6.580 1.00 0.00 C ATOM 1522 CD2 LEU A 98 5.271 0.943 -5.833 1.00 0.00 C ATOM 0 H LEU A 98 3.890 0.031 -8.073 1.00 0.00 H new ATOM 0 HA LEU A 98 4.328 2.881 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.373 0.991 -9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.577 2.391 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 98 5.891 -0.439 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.777 -0.066 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.274 0.249 -7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.924 1.608 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.454 0.258 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.494 1.962 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.226 0.877 -6.134 1.00 0.00 H new ATOM 1534 N LEU A 99 4.869 3.415 -10.517 1.00 0.00 N ATOM 1535 CA LEU A 99 4.661 3.824 -11.907 1.00 0.00 C ATOM 1536 C LEU A 99 5.845 4.570 -12.480 1.00 0.00 C ATOM 1537 O LEU A 99 6.130 5.716 -12.114 1.00 0.00 O ATOM 1538 CB LEU A 99 3.376 4.691 -12.033 1.00 0.00 C ATOM 1539 CG LEU A 99 2.313 4.606 -10.902 1.00 0.00 C ATOM 1540 CD1 LEU A 99 1.151 5.566 -11.214 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.758 3.184 -10.720 1.00 0.00 C ATOM 0 H LEU A 99 5.387 4.086 -9.949 1.00 0.00 H new ATOM 0 HA LEU A 99 4.544 2.909 -12.488 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.685 5.733 -12.120 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.886 4.425 -12.970 1.00 0.00 H new ATOM 0 HG LEU A 99 2.808 4.888 -9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.406 5.506 -10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.529 6.586 -11.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.693 5.287 -12.163 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.020 3.181 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.288 2.856 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.572 2.505 -10.466 1.00 0.00 H new ATOM 1553 N GLN A 100 6.535 3.937 -13.406 1.00 0.00 N ATOM 1554 CA GLN A 100 7.573 4.601 -14.193 1.00 0.00 C ATOM 1555 C GLN A 100 7.009 4.934 -15.557 1.00 0.00 C ATOM 1556 O GLN A 100 7.050 4.096 -16.477 1.00 0.00 O ATOM 1557 CB GLN A 100 8.816 3.692 -14.302 1.00 0.00 C ATOM 1558 CG GLN A 100 10.140 4.403 -14.751 1.00 0.00 C ATOM 1559 CD GLN A 100 11.492 3.745 -14.452 1.00 0.00 C ATOM 1560 OE1 GLN A 100 11.796 2.673 -14.952 1.00 0.00 O ATOM 1561 NE2 GLN A 100 12.353 4.344 -13.670 1.00 0.00 N ATOM 0 H GLN A 100 6.399 2.953 -13.639 1.00 0.00 H new ATOM 0 HA GLN A 100 7.885 5.525 -13.706 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.987 3.224 -13.333 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.597 2.891 -15.009 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.081 4.551 -15.829 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.150 5.392 -14.293 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.117 5.240 -13.243 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.260 3.915 -13.487 1.00 0.00 H new ATOM 1570 N ALA A 101 6.506 6.138 -15.750 1.00 0.00 N ATOM 1571 CA ALA A 101 5.759 6.468 -16.962 1.00 0.00 C ATOM 1572 C ALA A 101 6.672 6.713 -18.145 1.00 0.00 C ATOM 1573 O ALA A 101 7.899 6.809 -18.051 1.00 0.00 O ATOM 1574 CB ALA A 101 4.857 7.672 -16.634 1.00 0.00 C ATOM 0 H ALA A 101 6.598 6.908 -15.087 1.00 0.00 H new ATOM 0 HA ALA A 101 5.139 5.625 -17.268 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.282 7.948 -17.518 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.175 7.406 -15.826 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.474 8.516 -16.325 1.00 0.00 H new ATOM 1580 N HIS A 102 6.050 6.835 -19.306 1.00 0.00 N ATOM 1581 CA HIS A 102 6.745 6.888 -20.589 1.00 0.00 C ATOM 1582 C HIS A 102 7.478 8.187 -20.831 1.00 0.00 C ATOM 1583 O HIS A 102 8.721 8.233 -20.909 1.00 0.00 O ATOM 1584 CB HIS A 102 5.648 6.716 -21.664 1.00 0.00 C ATOM 1585 CG HIS A 102 6.176 6.187 -22.964 1.00 0.00 C ATOM 1586 ND1 HIS A 102 5.705 6.530 -24.231 1.00 0.00 N ATOM 1587 CD2 HIS A 102 7.218 5.274 -23.041 1.00 0.00 C ATOM 1588 CE1 HIS A 102 6.517 5.773 -24.991 1.00 0.00 C ATOM 1589 NE2 HIS A 102 7.445 5.000 -24.365 1.00 0.00 N ATOM 0 H HIS A 102 5.036 6.901 -19.389 1.00 0.00 H new ATOM 0 HA HIS A 102 7.509 6.111 -20.614 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.882 6.039 -21.287 1.00 0.00 H new ATOM 0 HB3 HIS A 102 5.165 7.677 -21.839 1.00 0.00 H new ATOM 0 HD2 HIS A 102 7.756 4.853 -22.205 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.434 5.779 -26.068 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.136 4.374 -24.777 1.00 0.00 H new ATOM 1597 N ASP A 103 6.752 9.283 -20.939 1.00 0.00 N ATOM 1598 CA ASP A 103 7.326 10.547 -21.387 1.00 0.00 C ATOM 1599 C ASP A 103 7.832 11.388 -20.235 1.00 0.00 C ATOM 1600 O ASP A 103 9.020 11.469 -19.908 1.00 0.00 O ATOM 1601 CB ASP A 103 6.278 11.335 -22.220 1.00 0.00 C ATOM 1602 CG ASP A 103 6.114 10.925 -23.691 1.00 0.00 C ATOM 1603 OD1 ASP A 103 6.439 9.617 -23.918 1.00 0.00 O ATOM 1604 OD2 ASP A 103 5.712 11.692 -24.555 1.00 0.00 O ATOM 0 H ASP A 103 5.756 9.328 -20.722 1.00 0.00 H new ATOM 0 HA ASP A 103 8.188 10.316 -22.012 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.310 11.236 -21.729 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.544 12.392 -22.189 1.00 0.00 H new ATOM 1609 N ASP A 104 6.889 12.033 -19.569 1.00 0.00 N ATOM 1610 CA ASP A 104 7.125 13.043 -18.545 1.00 0.00 C ATOM 1611 C ASP A 104 5.848 13.819 -18.281 1.00 0.00 C ATOM 1612 O ASP A 104 5.566 14.311 -17.186 1.00 0.00 O ATOM 1613 CB ASP A 104 8.300 13.970 -18.951 1.00 0.00 C ATOM 1614 CG ASP A 104 9.611 13.814 -18.168 1.00 0.00 C ATOM 1615 OD1 ASP A 104 9.704 12.614 -17.521 1.00 0.00 O ATOM 1616 OD2 ASP A 104 10.479 14.676 -18.144 1.00 0.00 O ATOM 0 H ASP A 104 5.897 11.862 -19.732 1.00 0.00 H new ATOM 0 HA ASP A 104 7.414 12.553 -17.615 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.514 13.804 -20.007 1.00 0.00 H new ATOM 0 HB3 ASP A 104 7.967 15.003 -18.852 1.00 0.00 H new ATOM 1621 N THR A 105 5.060 13.949 -19.342 1.00 0.00 N ATOM 1622 CA THR A 105 3.708 14.493 -19.246 1.00 0.00 C ATOM 1623 C THR A 105 2.826 13.478 -18.546 1.00 0.00 C ATOM 1624 O THR A 105 2.079 13.784 -17.612 1.00 0.00 O ATOM 1625 CB THR A 105 3.152 14.875 -20.659 1.00 0.00 C ATOM 1626 OG1 THR A 105 4.154 15.529 -21.428 1.00 0.00 O ATOM 1627 CG2 THR A 105 1.951 15.846 -20.683 1.00 0.00 C ATOM 0 H THR A 105 5.336 13.683 -20.287 1.00 0.00 H new ATOM 0 HA THR A 105 3.721 15.413 -18.662 1.00 0.00 H new ATOM 0 HB THR A 105 2.830 13.911 -21.054 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.792 15.760 -22.309 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.656 16.035 -21.715 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.115 15.404 -20.142 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.233 16.786 -20.209 1.00 0.00 H new ATOM 1635 N GLU A 106 2.897 12.249 -19.020 1.00 0.00 N ATOM 1636 CA GLU A 106 2.273 11.112 -18.354 1.00 0.00 C ATOM 1637 C GLU A 106 2.752 10.986 -16.927 1.00 0.00 C ATOM 1638 O GLU A 106 1.991 10.638 -16.021 1.00 0.00 O ATOM 1639 CB GLU A 106 2.635 9.818 -19.134 1.00 0.00 C ATOM 1640 CG GLU A 106 1.475 9.029 -19.820 1.00 0.00 C ATOM 1641 CD GLU A 106 0.195 8.739 -19.034 1.00 0.00 C ATOM 1642 OE1 GLU A 106 -0.224 9.465 -18.143 1.00 0.00 O ATOM 1643 OE2 GLU A 106 -0.438 7.595 -19.422 1.00 0.00 O ATOM 0 H GLU A 106 3.389 12.006 -19.880 1.00 0.00 H new ATOM 0 HA GLU A 106 1.194 11.263 -18.338 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.360 10.083 -19.904 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.137 9.141 -18.443 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.190 9.580 -20.716 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.880 8.072 -20.149 1.00 0.00 H new ATOM 1650 N MET A 107 4.040 11.236 -16.739 1.00 0.00 N ATOM 1651 CA MET A 107 4.666 10.993 -15.441 1.00 0.00 C ATOM 1652 C MET A 107 3.857 11.646 -14.340 1.00 0.00 C ATOM 1653 O MET A 107 3.455 11.051 -13.335 1.00 0.00 O ATOM 1654 CB MET A 107 6.129 11.513 -15.419 1.00 0.00 C ATOM 1655 CG MET A 107 6.748 11.712 -14.017 1.00 0.00 C ATOM 1656 SD MET A 107 8.499 12.102 -14.170 1.00 0.00 S ATOM 1657 CE MET A 107 8.429 13.836 -13.699 1.00 0.00 C ATOM 0 H MET A 107 4.667 11.602 -17.456 1.00 0.00 H new ATOM 0 HA MET A 107 4.690 9.917 -15.271 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.752 10.813 -15.975 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.165 12.464 -15.950 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.232 12.516 -13.493 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.618 10.809 -13.421 1.00 0.00 H new ATOM 0 HE1 MET A 107 9.431 14.263 -13.732 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.782 14.375 -14.391 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.031 13.923 -12.688 1.00 0.00 H new ATOM 1667 N SER A 108 3.573 12.927 -14.551 1.00 0.00 N ATOM 1668 CA SER A 108 2.770 13.724 -13.630 1.00 0.00 C ATOM 1669 C SER A 108 1.301 13.382 -13.747 1.00 0.00 C ATOM 1670 O SER A 108 0.648 13.020 -12.762 1.00 0.00 O ATOM 1671 CB SER A 108 3.021 15.237 -13.849 1.00 0.00 C ATOM 1672 OG SER A 108 2.149 15.820 -14.822 1.00 0.00 O ATOM 0 H SER A 108 3.895 13.444 -15.369 1.00 0.00 H new ATOM 0 HA SER A 108 3.079 13.480 -12.614 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.897 15.760 -12.901 1.00 0.00 H new ATOM 0 HB3 SER A 108 4.054 15.385 -14.162 1.00 0.00 H new ATOM 0 HG SER A 108 2.354 16.774 -14.915 1.00 0.00 H new ATOM 1678 N GLN A 109 0.744 13.509 -14.936 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.653 13.183 -15.226 1.00 0.00 C ATOM 1680 C GLN A 109 -1.069 11.869 -14.607 1.00 0.00 C ATOM 1681 O GLN A 109 -2.251 11.653 -14.295 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.821 13.140 -16.762 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.993 14.518 -17.485 1.00 0.00 C ATOM 1684 CD GLN A 109 -1.474 14.536 -18.943 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -2.024 15.518 -19.414 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -1.316 13.476 -19.695 1.00 0.00 N ATOM 0 H GLN A 109 1.256 13.849 -15.750 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.298 13.946 -14.790 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.049 12.638 -17.186 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.689 12.523 -16.993 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.694 15.112 -16.899 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.032 15.031 -17.449 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.858 12.646 -19.317 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.651 13.480 -20.659 1.00 0.00 H new ATOM 1695 N TRP A 110 -0.128 10.969 -14.408 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.353 9.719 -13.688 1.00 0.00 C ATOM 1697 C TRP A 110 -0.407 9.963 -12.199 1.00 0.00 C ATOM 1698 O TRP A 110 -1.338 9.531 -11.515 1.00 0.00 O ATOM 1699 CB TRP A 110 0.804 8.732 -14.002 1.00 0.00 C ATOM 1700 CG TRP A 110 0.543 7.759 -15.161 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.140 7.743 -16.436 1.00 0.00 C ATOM 1702 CD2 TRP A 110 -0.276 6.641 -15.115 1.00 0.00 C ATOM 1703 NE1 TRP A 110 0.724 6.627 -17.192 1.00 0.00 N ATOM 1704 CE2 TRP A 110 -0.149 5.959 -16.348 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.142 6.148 -14.099 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.847 4.747 -16.558 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.768 4.922 -14.307 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.607 4.218 -15.510 1.00 0.00 C ATOM 0 H TRP A 110 0.829 11.081 -14.743 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.306 9.297 -14.009 1.00 0.00 H new ATOM 0 HB2 TRP A 110 1.700 9.310 -14.230 1.00 0.00 H new ATOM 0 HB3 TRP A 110 1.018 8.152 -13.104 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.831 8.493 -16.791 1.00 0.00 H new ATOM 0 HE1 TRP A 110 1.001 6.371 -18.140 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.309 6.709 -13.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.794 4.240 -17.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.389 4.505 -13.528 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.077 3.253 -15.628 1.00 0.00 H new ATOM 1719 N VAL A 111 0.596 10.633 -11.666 1.00 0.00 N ATOM 1720 CA VAL A 111 0.582 11.055 -10.265 1.00 0.00 C ATOM 1721 C VAL A 111 -0.728 11.716 -9.893 1.00 0.00 C ATOM 1722 O VAL A 111 -1.268 11.564 -8.793 1.00 0.00 O ATOM 1723 CB VAL A 111 1.792 12.035 -9.998 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.485 13.555 -10.100 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.460 11.847 -8.614 1.00 0.00 C ATOM 0 H VAL A 111 1.437 10.901 -12.178 1.00 0.00 H new ATOM 0 HA VAL A 111 0.686 10.169 -9.639 1.00 0.00 H new ATOM 0 HB VAL A 111 2.451 11.742 -10.815 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.392 14.124 -9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.128 13.788 -11.103 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.719 13.821 -9.372 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.281 12.556 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.725 12.022 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.845 10.831 -8.531 1.00 0.00 H new ATOM 1735 N THR A 112 -1.262 12.487 -10.829 1.00 0.00 N ATOM 1736 CA THR A 112 -2.491 13.251 -10.638 1.00 0.00 C ATOM 1737 C THR A 112 -3.703 12.381 -10.880 1.00 0.00 C ATOM 1738 O THR A 112 -4.716 12.472 -10.165 1.00 0.00 O ATOM 1739 CB THR A 112 -2.501 14.516 -11.567 1.00 0.00 C ATOM 1740 OG1 THR A 112 -1.583 14.365 -12.640 1.00 0.00 O ATOM 1741 CG2 THR A 112 -2.096 15.852 -10.904 1.00 0.00 C ATOM 0 H THR A 112 -0.850 12.603 -11.755 1.00 0.00 H new ATOM 0 HA THR A 112 -2.530 13.594 -9.604 1.00 0.00 H new ATOM 0 HB THR A 112 -3.547 14.571 -11.870 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.366 15.246 -13.011 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.140 16.653 -11.642 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.781 16.075 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.081 15.772 -10.516 1.00 0.00 H new ATOM 1749 N SER A 113 -3.632 11.506 -11.864 1.00 0.00 N ATOM 1750 CA SER A 113 -4.681 10.514 -12.091 1.00 0.00 C ATOM 1751 C SER A 113 -4.846 9.610 -10.888 1.00 0.00 C ATOM 1752 O SER A 113 -5.934 9.141 -10.539 1.00 0.00 O ATOM 1753 CB SER A 113 -4.397 9.713 -13.388 1.00 0.00 C ATOM 1754 OG SER A 113 -5.122 10.220 -14.514 1.00 0.00 O ATOM 0 H SER A 113 -2.857 11.457 -12.526 1.00 0.00 H new ATOM 0 HA SER A 113 -5.629 11.035 -12.227 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.329 9.743 -13.604 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.661 8.667 -13.231 1.00 0.00 H new ATOM 0 HG SER A 113 -4.821 9.765 -15.328 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.739 9.367 -10.203 1.00 0.00 N ATOM 1761 CA LEU A 114 -3.685 8.531 -9.007 1.00 0.00 C ATOM 1762 C LEU A 114 -4.289 9.241 -7.819 1.00 0.00 C ATOM 1763 O LEU A 114 -4.949 8.634 -6.965 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.213 8.107 -8.719 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.554 7.062 -9.662 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -0.502 6.200 -8.943 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -2.635 6.148 -10.265 1.00 0.00 C ATOM 0 H LEU A 114 -2.832 9.752 -10.466 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.276 7.633 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.598 9.006 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.172 7.712 -7.704 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.044 7.618 -10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.073 5.487 -9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.287 6.841 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.974 5.660 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.167 5.418 -10.925 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.161 5.629 -9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.344 6.749 -10.834 1.00 0.00 H new ATOM 1779 N LYS A 115 -4.094 10.546 -7.747 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.553 11.328 -6.601 1.00 0.00 C ATOM 1781 C LYS A 115 -6.061 11.341 -6.523 1.00 0.00 C ATOM 1782 O LYS A 115 -6.662 11.098 -5.470 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.992 12.774 -6.702 1.00 0.00 C ATOM 1784 CG LYS A 115 -4.704 13.780 -5.763 1.00 0.00 C ATOM 1785 CD LYS A 115 -3.840 14.956 -5.299 1.00 0.00 C ATOM 1786 CE LYS A 115 -3.898 15.055 -3.768 1.00 0.00 C ATOM 1787 NZ LYS A 115 -3.156 13.928 -3.177 1.00 0.00 N ATOM 0 H LYS A 115 -3.621 11.092 -8.467 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.182 10.865 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.928 12.760 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.086 13.121 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.582 14.174 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.062 13.243 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.810 14.817 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.196 15.883 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.469 16.001 -3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.934 15.040 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.886 14.164 -2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.757 13.080 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.300 13.744 -3.738 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.700 11.649 -7.637 1.00 0.00 N ATOM 1802 CA ALA A 116 -8.159 11.603 -7.722 1.00 0.00 C ATOM 1803 C ALA A 116 -8.679 10.189 -7.605 1.00 0.00 C ATOM 1804 O ALA A 116 -9.850 9.965 -7.248 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.565 12.275 -9.046 1.00 0.00 C ATOM 0 H ALA A 116 -6.236 11.935 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.608 12.142 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.650 12.259 -9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -8.215 13.307 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.117 11.735 -9.880 1.00 0.00 H new ATOM 1811 N GLN A 117 -7.859 9.204 -7.917 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.280 7.804 -7.873 1.00 0.00 C ATOM 1813 C GLN A 117 -8.412 7.298 -6.453 1.00 0.00 C ATOM 1814 O GLN A 117 -9.508 7.041 -5.948 1.00 0.00 O ATOM 1815 CB GLN A 117 -7.251 6.957 -8.652 1.00 0.00 C ATOM 1816 CG GLN A 117 -7.558 6.735 -10.168 1.00 0.00 C ATOM 1817 CD GLN A 117 -8.559 7.655 -10.884 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -8.570 8.862 -10.703 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -9.427 7.137 -11.715 1.00 0.00 N ATOM 0 H GLN A 117 -6.891 9.342 -8.206 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.265 7.720 -8.332 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.275 7.435 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.172 5.982 -8.170 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -6.612 6.802 -10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.917 5.712 -10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.436 6.131 -11.882 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.095 7.740 -12.196 1.00 0.00 H new ATOM 1828 N SER A 118 -7.273 7.123 -5.809 1.00 0.00 N ATOM 1829 CA SER A 118 -7.171 6.510 -4.489 1.00 0.00 C ATOM 1830 C SER A 118 -8.245 7.023 -3.558 1.00 0.00 C ATOM 1831 O SER A 118 -8.799 6.296 -2.726 1.00 0.00 O ATOM 1832 CB SER A 118 -5.760 6.738 -3.890 1.00 0.00 C ATOM 1833 OG SER A 118 -5.777 7.604 -2.748 1.00 0.00 O ATOM 0 H SER A 118 -6.372 7.407 -6.193 1.00 0.00 H new ATOM 0 HA SER A 118 -7.325 5.437 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.331 5.777 -3.606 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.110 7.164 -4.654 1.00 0.00 H new ATOM 0 HG SER A 118 -5.552 7.090 -1.944 1.00 0.00 H new