USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 836 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 92 ASN : amide:sc= -3.35! C(o=-5.6!,f=-14!) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -2.28 X(o=-5.6,f=-5.5!) USER MOD Set 2.1: A 40 THR OG1 : rot -83:sc= 0.435 USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0.00362 USER MOD Set 2.3: A 71 HIS : no HD1:sc= 0.472 K(o=0.91,f=-2.9!) USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc=-0.00789 USER MOD Set 3.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 30 SER OG : rot 161:sc= 0.0259 USER MOD Set 4.2: A 32 THR OG1 : rot -40:sc= 0.622 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 0.691 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00558 K(o=-0.0056,f=-2.6) USER MOD Single : A 16 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -0.633 K(o=-0.63,f=-0.1) USER MOD Single : A 27 TYR OH : rot -15:sc= -0.0103 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.719 K(o=-0.72,f=-1.4) USER MOD Single : A 49 GLN : amide:sc= -0.66 K(o=-0.66,f=-1.7!) USER MOD Single : A 50 ASN : amide:sc= -0.768 K(o=-0.77,f=-2.6) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.837 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 76:sc= 0.345 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.0048) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 27:sc= 0.0695 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.32) USER MOD Single : A 79 LYS NZ :NH3+ -126:sc= -0.0703 (180deg=-0.906) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= -0.0217 (180deg=-0.0239) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 58:sc= 0.437 USER MOD Single : A 84 TYR OH : rot 110:sc= 0 USER MOD Single : A 85 SER OG : rot -170:sc= -0.687 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -110:sc= -0.0455 USER MOD Single : A 100 THR OG1 : rot -83:sc= 1.75 USER MOD Single : A 107 THR OG1 : rot 179:sc= 0.832 USER MOD Single : A 109 SER OG : rot -7:sc= 0.563! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 37:sc= 0.761 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.288 -23.128 6.995 1.00 0.00 N ATOM 2 CA GLY A 1 -2.954 -24.244 7.861 1.00 0.00 C ATOM 3 C GLY A 1 -2.055 -25.257 7.181 1.00 0.00 C ATOM 4 O GLY A 1 -0.842 -25.065 7.100 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.904 -22.464 7.506 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.416 -22.640 6.706 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.783 -23.480 6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.460 -23.869 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.871 -24.736 8.184 1.00 0.00 H new ATOM 8 N SER A 2 -2.650 -26.340 6.691 1.00 0.00 N ATOM 9 CA SER A 2 -1.894 -27.390 6.019 1.00 0.00 C ATOM 10 C SER A 2 -1.094 -26.821 4.851 1.00 0.00 C ATOM 11 O SER A 2 -1.657 -26.445 3.824 1.00 0.00 O ATOM 12 CB SER A 2 -2.837 -28.487 5.520 1.00 0.00 C ATOM 13 OG SER A 2 -3.783 -27.967 4.602 1.00 0.00 O ATOM 0 H SER A 2 -3.654 -26.513 6.747 1.00 0.00 H new ATOM 0 HA SER A 2 -1.197 -27.819 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.259 -29.278 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.356 -28.937 6.366 1.00 0.00 H new ATOM 0 HG SER A 2 -3.342 -27.328 4.005 1.00 0.00 H new ATOM 19 N SER A 3 0.224 -26.762 5.018 1.00 0.00 N ATOM 20 CA SER A 3 1.102 -26.235 3.981 1.00 0.00 C ATOM 21 C SER A 3 2.559 -26.575 4.279 1.00 0.00 C ATOM 22 O SER A 3 2.887 -27.054 5.363 1.00 0.00 O ATOM 23 CB SER A 3 0.934 -24.719 3.861 1.00 0.00 C ATOM 24 OG SER A 3 1.261 -24.271 2.557 1.00 0.00 O ATOM 0 H SER A 3 0.706 -27.073 5.861 1.00 0.00 H new ATOM 0 HA SER A 3 0.825 -26.699 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.094 -24.444 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.572 -24.220 4.591 1.00 0.00 H new ATOM 0 HG SER A 3 1.144 -23.299 2.506 1.00 0.00 H new ATOM 30 N GLY A 4 3.431 -26.322 3.307 1.00 0.00 N ATOM 31 CA GLY A 4 4.843 -26.607 3.483 1.00 0.00 C ATOM 32 C GLY A 4 5.729 -25.627 2.740 1.00 0.00 C ATOM 33 O GLY A 4 6.735 -26.016 2.147 1.00 0.00 O ATOM 0 H GLY A 4 3.184 -25.925 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.087 -26.579 4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.053 -27.618 3.134 1.00 0.00 H new ATOM 37 N SER A 5 5.355 -24.352 2.771 1.00 0.00 N ATOM 38 CA SER A 5 6.121 -23.314 2.091 1.00 0.00 C ATOM 39 C SER A 5 7.614 -23.623 2.136 1.00 0.00 C ATOM 40 O SER A 5 8.247 -23.529 3.187 1.00 0.00 O ATOM 41 CB SER A 5 5.851 -21.950 2.730 1.00 0.00 C ATOM 42 OG SER A 5 4.629 -21.403 2.266 1.00 0.00 O ATOM 0 H SER A 5 4.526 -24.013 3.260 1.00 0.00 H new ATOM 0 HA SER A 5 5.805 -23.288 1.048 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.818 -22.053 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.669 -21.268 2.499 1.00 0.00 H new ATOM 0 HG SER A 5 4.478 -20.532 2.690 1.00 0.00 H new ATOM 48 N SER A 6 8.171 -23.992 0.987 1.00 0.00 N ATOM 49 CA SER A 6 9.589 -24.319 0.894 1.00 0.00 C ATOM 50 C SER A 6 10.185 -23.788 -0.406 1.00 0.00 C ATOM 51 O SER A 6 9.461 -23.367 -1.308 1.00 0.00 O ATOM 52 CB SER A 6 9.791 -25.833 0.981 1.00 0.00 C ATOM 53 OG SER A 6 9.956 -26.249 2.325 1.00 0.00 O ATOM 0 H SER A 6 7.662 -24.072 0.107 1.00 0.00 H new ATOM 0 HA SER A 6 10.102 -23.843 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.934 -26.343 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.666 -26.120 0.398 1.00 0.00 H new ATOM 0 HG SER A 6 10.082 -27.220 2.354 1.00 0.00 H new ATOM 59 N GLY A 7 11.511 -23.812 -0.495 1.00 0.00 N ATOM 60 CA GLY A 7 12.184 -23.330 -1.688 1.00 0.00 C ATOM 61 C GLY A 7 11.574 -22.049 -2.220 1.00 0.00 C ATOM 62 O GLY A 7 11.346 -21.914 -3.422 1.00 0.00 O ATOM 0 H GLY A 7 12.132 -24.157 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.237 -23.162 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.141 -24.098 -2.461 1.00 0.00 H new ATOM 66 N ARG A 8 11.308 -21.105 -1.322 1.00 0.00 N ATOM 67 CA ARG A 8 10.719 -19.828 -1.708 1.00 0.00 C ATOM 68 C ARG A 8 11.799 -18.770 -1.912 1.00 0.00 C ATOM 69 O ARG A 8 12.342 -18.228 -0.950 1.00 0.00 O ATOM 70 CB ARG A 8 9.725 -19.359 -0.643 1.00 0.00 C ATOM 71 CG ARG A 8 8.695 -18.370 -1.165 1.00 0.00 C ATOM 72 CD ARG A 8 7.538 -19.080 -1.849 1.00 0.00 C ATOM 73 NE ARG A 8 6.665 -18.148 -2.557 1.00 0.00 N ATOM 74 CZ ARG A 8 5.388 -18.397 -2.827 1.00 0.00 C ATOM 75 NH1 ARG A 8 4.839 -19.544 -2.451 1.00 0.00 N ATOM 76 NH2 ARG A 8 4.658 -17.498 -3.475 1.00 0.00 N ATOM 0 H ARG A 8 11.491 -21.201 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 8 10.192 -19.970 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.208 -20.227 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.275 -18.899 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.317 -17.767 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.170 -17.685 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.929 -19.816 -2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.958 -19.627 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 8 7.057 -17.257 -2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.397 -20.238 -1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.859 -19.733 -2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.077 -16.615 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.678 -17.690 -3.682 1.00 0.00 H new ATOM 90 N VAL A 9 12.105 -18.481 -3.173 1.00 0.00 N ATOM 91 CA VAL A 9 13.120 -17.488 -3.505 1.00 0.00 C ATOM 92 C VAL A 9 12.670 -16.610 -4.668 1.00 0.00 C ATOM 93 O VAL A 9 12.666 -17.044 -5.819 1.00 0.00 O ATOM 94 CB VAL A 9 14.460 -18.154 -3.867 1.00 0.00 C ATOM 95 CG1 VAL A 9 15.472 -17.110 -4.312 1.00 0.00 C ATOM 96 CG2 VAL A 9 14.992 -18.955 -2.688 1.00 0.00 C ATOM 0 H VAL A 9 11.665 -18.920 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 9 13.259 -16.869 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 9 14.292 -18.840 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.413 -17.599 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.091 -16.584 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.639 -16.397 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.940 -19.419 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.145 -18.292 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.273 -19.729 -2.420 1.00 0.00 H new ATOM 106 N GLU A 10 12.293 -15.374 -4.358 1.00 0.00 N ATOM 107 CA GLU A 10 11.842 -14.435 -5.378 1.00 0.00 C ATOM 108 C GLU A 10 12.674 -13.157 -5.348 1.00 0.00 C ATOM 109 O GLU A 10 12.398 -12.240 -4.574 1.00 0.00 O ATOM 110 CB GLU A 10 10.363 -14.099 -5.175 1.00 0.00 C ATOM 111 CG GLU A 10 9.418 -15.089 -5.835 1.00 0.00 C ATOM 112 CD GLU A 10 9.340 -14.909 -7.338 1.00 0.00 C ATOM 113 OE1 GLU A 10 10.407 -14.833 -7.983 1.00 0.00 O ATOM 114 OE2 GLU A 10 8.212 -14.844 -7.870 1.00 0.00 O ATOM 0 H GLU A 10 12.291 -15.000 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 10 11.970 -14.908 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.150 -14.064 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.168 -13.103 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.747 -16.104 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.422 -14.975 -5.407 1.00 0.00 H new ATOM 121 N THR A 11 13.696 -13.102 -6.197 1.00 0.00 N ATOM 122 CA THR A 11 14.570 -11.938 -6.267 1.00 0.00 C ATOM 123 C THR A 11 14.221 -11.060 -7.463 1.00 0.00 C ATOM 124 O THR A 11 14.201 -11.526 -8.602 1.00 0.00 O ATOM 125 CB THR A 11 16.051 -12.353 -6.364 1.00 0.00 C ATOM 126 OG1 THR A 11 16.372 -13.272 -5.314 1.00 0.00 O ATOM 127 CG2 THR A 11 16.960 -11.136 -6.276 1.00 0.00 C ATOM 0 H THR A 11 13.938 -13.851 -6.846 1.00 0.00 H new ATOM 0 HA THR A 11 14.418 -11.372 -5.348 1.00 0.00 H new ATOM 0 HB THR A 11 16.208 -12.836 -7.329 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.314 -13.532 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.000 -11.453 -6.347 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.733 -10.452 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.799 -10.630 -5.324 1.00 0.00 H new ATOM 135 N GLN A 12 13.947 -9.787 -7.197 1.00 0.00 N ATOM 136 CA GLN A 12 13.599 -8.844 -8.252 1.00 0.00 C ATOM 137 C GLN A 12 14.796 -8.574 -9.158 1.00 0.00 C ATOM 138 O GLN A 12 15.948 -8.799 -8.788 1.00 0.00 O ATOM 139 CB GLN A 12 13.096 -7.532 -7.648 1.00 0.00 C ATOM 140 CG GLN A 12 11.611 -7.542 -7.320 1.00 0.00 C ATOM 141 CD GLN A 12 11.277 -8.454 -6.156 1.00 0.00 C ATOM 142 OE1 GLN A 12 12.118 -8.716 -5.296 1.00 0.00 O ATOM 143 NE2 GLN A 12 10.043 -8.945 -6.123 1.00 0.00 N ATOM 0 H GLN A 12 13.959 -9.385 -6.260 1.00 0.00 H new ATOM 0 HA GLN A 12 12.805 -9.287 -8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.659 -7.321 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.300 -6.719 -8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.287 -6.528 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.051 -7.861 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.378 -8.702 -6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.761 -9.565 -5.364 1.00 0.00 H new ATOM 152 N PRO A 13 14.519 -8.081 -10.374 1.00 0.00 N ATOM 153 CA PRO A 13 15.560 -7.769 -11.358 1.00 0.00 C ATOM 154 C PRO A 13 16.399 -6.563 -10.952 1.00 0.00 C ATOM 155 O PRO A 13 16.130 -5.922 -9.937 1.00 0.00 O ATOM 156 CB PRO A 13 14.766 -7.465 -12.631 1.00 0.00 C ATOM 157 CG PRO A 13 13.431 -7.016 -12.146 1.00 0.00 C ATOM 158 CD PRO A 13 13.168 -7.788 -10.882 1.00 0.00 C ATOM 0 HA PRO A 13 16.273 -8.586 -11.469 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.252 -6.691 -13.226 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.681 -8.348 -13.265 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.426 -5.943 -11.956 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.659 -7.212 -12.890 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.588 -7.204 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.606 -8.701 -11.078 1.00 0.00 H new ATOM 166 N GLU A 14 17.416 -6.259 -11.752 1.00 0.00 N ATOM 167 CA GLU A 14 18.295 -5.128 -11.474 1.00 0.00 C ATOM 168 C GLU A 14 18.315 -4.154 -12.648 1.00 0.00 C ATOM 169 O GLU A 14 18.970 -4.398 -13.661 1.00 0.00 O ATOM 170 CB GLU A 14 19.714 -5.617 -11.179 1.00 0.00 C ATOM 171 CG GLU A 14 19.795 -6.575 -10.002 1.00 0.00 C ATOM 172 CD GLU A 14 21.068 -7.400 -10.007 1.00 0.00 C ATOM 173 OE1 GLU A 14 21.214 -8.260 -10.900 1.00 0.00 O ATOM 174 OE2 GLU A 14 21.917 -7.183 -9.118 1.00 0.00 O ATOM 0 H GLU A 14 17.652 -6.779 -12.597 1.00 0.00 H new ATOM 0 HA GLU A 14 17.909 -4.607 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.111 -6.110 -12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 14 20.352 -4.756 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 14 19.737 -6.008 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.934 -7.243 -10.022 1.00 0.00 H new ATOM 181 N VAL A 15 17.591 -3.048 -12.504 1.00 0.00 N ATOM 182 CA VAL A 15 17.526 -2.035 -13.551 1.00 0.00 C ATOM 183 C VAL A 15 16.924 -0.738 -13.024 1.00 0.00 C ATOM 184 O VAL A 15 16.320 -0.713 -11.953 1.00 0.00 O ATOM 185 CB VAL A 15 16.694 -2.523 -14.753 1.00 0.00 C ATOM 186 CG1 VAL A 15 15.249 -2.762 -14.340 1.00 0.00 C ATOM 187 CG2 VAL A 15 16.772 -1.523 -15.896 1.00 0.00 C ATOM 0 H VAL A 15 17.041 -2.831 -11.673 1.00 0.00 H new ATOM 0 HA VAL A 15 18.550 -1.851 -13.877 1.00 0.00 H new ATOM 0 HB VAL A 15 17.109 -3.469 -15.100 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.677 -3.106 -15.201 1.00 0.00 H new ATOM 0 HG12 VAL A 15 15.215 -3.519 -13.556 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.819 -1.833 -13.966 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.179 -1.884 -16.736 1.00 0.00 H new ATOM 0 HG22 VAL A 15 16.383 -0.560 -15.564 1.00 0.00 H new ATOM 0 HG23 VAL A 15 17.810 -1.407 -16.208 1.00 0.00 H new ATOM 197 N GLN A 16 17.094 0.339 -13.785 1.00 0.00 N ATOM 198 CA GLN A 16 16.567 1.641 -13.394 1.00 0.00 C ATOM 199 C GLN A 16 15.102 1.535 -12.984 1.00 0.00 C ATOM 200 O GLN A 16 14.217 1.410 -13.831 1.00 0.00 O ATOM 201 CB GLN A 16 16.717 2.641 -14.541 1.00 0.00 C ATOM 202 CG GLN A 16 18.159 2.874 -14.961 1.00 0.00 C ATOM 203 CD GLN A 16 18.623 1.898 -16.024 1.00 0.00 C ATOM 204 OE1 GLN A 16 18.154 1.933 -17.162 1.00 0.00 O ATOM 205 NE2 GLN A 16 19.549 1.020 -15.658 1.00 0.00 N ATOM 0 H GLN A 16 17.592 0.335 -14.675 1.00 0.00 H new ATOM 0 HA GLN A 16 17.140 1.994 -12.537 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.150 2.283 -15.401 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.276 3.592 -14.243 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.264 3.892 -15.337 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.806 2.789 -14.088 1.00 0.00 H new ATOM 0 HE21 GLN A 16 19.910 1.027 -14.704 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.900 0.338 -16.331 1.00 0.00 H new ATOM 214 N LEU A 17 14.853 1.585 -11.680 1.00 0.00 N ATOM 215 CA LEU A 17 13.494 1.494 -11.157 1.00 0.00 C ATOM 216 C LEU A 17 13.201 2.644 -10.199 1.00 0.00 C ATOM 217 O LEU A 17 14.106 3.311 -9.696 1.00 0.00 O ATOM 218 CB LEU A 17 13.289 0.156 -10.443 1.00 0.00 C ATOM 219 CG LEU A 17 12.714 -0.977 -11.294 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.214 -0.876 -12.726 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.074 -2.329 -10.695 1.00 0.00 C ATOM 0 H LEU A 17 15.574 1.688 -10.966 1.00 0.00 H new ATOM 0 HA LEU A 17 12.803 1.560 -11.997 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.248 -0.169 -10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.626 0.318 -9.593 1.00 0.00 H new ATOM 0 HG LEU A 17 11.628 -0.884 -11.303 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.794 -1.691 -13.316 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.905 0.078 -13.153 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.302 -0.943 -12.737 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.657 -3.124 -11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.158 -2.432 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.665 -2.401 -9.687 1.00 0.00 H new ATOM 233 N PRO A 18 11.907 2.882 -9.937 1.00 0.00 N ATOM 234 CA PRO A 18 11.465 3.950 -9.035 1.00 0.00 C ATOM 235 C PRO A 18 11.807 3.656 -7.578 1.00 0.00 C ATOM 236 O PRO A 18 12.366 2.607 -7.261 1.00 0.00 O ATOM 237 CB PRO A 18 9.948 3.976 -9.234 1.00 0.00 C ATOM 238 CG PRO A 18 9.602 2.601 -9.691 1.00 0.00 C ATOM 239 CD PRO A 18 10.776 2.126 -10.501 1.00 0.00 C ATOM 0 HA PRO A 18 11.954 4.899 -9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.431 4.227 -8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.658 4.723 -9.973 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.421 1.942 -8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.691 2.606 -10.290 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.923 1.050 -10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.643 2.334 -11.563 1.00 0.00 H new ATOM 247 N GLY A 19 11.467 4.591 -6.696 1.00 0.00 N ATOM 248 CA GLY A 19 11.746 4.413 -5.283 1.00 0.00 C ATOM 249 C GLY A 19 10.484 4.243 -4.460 1.00 0.00 C ATOM 250 O GLY A 19 9.369 4.435 -4.946 1.00 0.00 O ATOM 0 H GLY A 19 11.004 5.468 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.384 3.539 -5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.303 5.274 -4.914 1.00 0.00 H new ATOM 254 N PRO A 20 10.652 3.872 -3.182 1.00 0.00 N ATOM 255 CA PRO A 20 9.528 3.666 -2.263 1.00 0.00 C ATOM 256 C PRO A 20 8.833 4.972 -1.895 1.00 0.00 C ATOM 257 O PRO A 20 9.443 5.867 -1.311 1.00 0.00 O ATOM 258 CB PRO A 20 10.188 3.045 -1.029 1.00 0.00 C ATOM 259 CG PRO A 20 11.600 3.517 -1.077 1.00 0.00 C ATOM 260 CD PRO A 20 11.951 3.625 -2.535 1.00 0.00 C ATOM 0 HA PRO A 20 8.749 3.045 -2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.694 3.366 -0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.133 1.957 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.707 4.480 -0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.263 2.818 -0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.653 4.438 -2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.417 2.712 -2.905 1.00 0.00 H new ATOM 268 N ALA A 21 7.554 5.075 -2.241 1.00 0.00 N ATOM 269 CA ALA A 21 6.776 6.271 -1.944 1.00 0.00 C ATOM 270 C ALA A 21 6.968 6.705 -0.495 1.00 0.00 C ATOM 271 O ALA A 21 6.482 6.067 0.439 1.00 0.00 O ATOM 272 CB ALA A 21 5.303 6.028 -2.234 1.00 0.00 C ATOM 0 H ALA A 21 7.035 4.344 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 21 7.133 7.076 -2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.734 6.930 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.176 5.774 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.941 5.206 -1.616 1.00 0.00 H new ATOM 278 N PRO A 22 7.693 7.816 -0.300 1.00 0.00 N ATOM 279 CA PRO A 22 7.966 8.360 1.034 1.00 0.00 C ATOM 280 C PRO A 22 6.718 8.943 1.688 1.00 0.00 C ATOM 281 O PRO A 22 5.631 8.910 1.113 1.00 0.00 O ATOM 282 CB PRO A 22 8.992 9.463 0.764 1.00 0.00 C ATOM 283 CG PRO A 22 8.748 9.871 -0.648 1.00 0.00 C ATOM 284 CD PRO A 22 8.303 8.628 -1.367 1.00 0.00 C ATOM 0 HA PRO A 22 8.317 7.592 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.860 10.302 1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.010 9.098 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.986 10.648 -0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.653 10.279 -1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.588 8.855 -2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.142 8.112 -1.835 1.00 0.00 H new ATOM 292 N ASN A 23 6.882 9.476 2.895 1.00 0.00 N ATOM 293 CA ASN A 23 5.767 10.065 3.628 1.00 0.00 C ATOM 294 C ASN A 23 4.507 9.219 3.476 1.00 0.00 C ATOM 295 O ASN A 23 3.416 9.744 3.252 1.00 0.00 O ATOM 296 CB ASN A 23 5.501 11.489 3.134 1.00 0.00 C ATOM 297 CG ASN A 23 6.282 12.528 3.916 1.00 0.00 C ATOM 298 OD1 ASN A 23 5.767 13.601 4.228 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.531 12.211 4.236 1.00 0.00 N ATOM 0 H ASN A 23 7.776 9.512 3.386 1.00 0.00 H new ATOM 0 HA ASN A 23 6.036 10.097 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.764 11.559 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.435 11.705 3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.105 12.869 4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.916 11.309 3.956 1.00 0.00 H new ATOM 306 N LEU A 24 4.665 7.905 3.599 1.00 0.00 N ATOM 307 CA LEU A 24 3.541 6.985 3.477 1.00 0.00 C ATOM 308 C LEU A 24 2.695 6.986 4.746 1.00 0.00 C ATOM 309 O LEU A 24 3.076 6.400 5.759 1.00 0.00 O ATOM 310 CB LEU A 24 4.044 5.569 3.188 1.00 0.00 C ATOM 311 CG LEU A 24 2.969 4.493 3.033 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.149 4.735 1.775 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.600 3.109 3.003 1.00 0.00 C ATOM 0 H LEU A 24 5.561 7.454 3.783 1.00 0.00 H new ATOM 0 HA LEU A 24 2.919 7.320 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.638 5.595 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.714 5.271 3.995 1.00 0.00 H new ATOM 0 HG LEU A 24 2.301 4.547 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.389 3.959 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.666 5.710 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.803 4.709 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.820 2.356 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.291 3.042 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.142 2.936 3.933 1.00 0.00 H new ATOM 325 N ARG A 25 1.543 7.647 4.683 1.00 0.00 N ATOM 326 CA ARG A 25 0.643 7.724 5.827 1.00 0.00 C ATOM 327 C ARG A 25 -0.595 6.860 5.603 1.00 0.00 C ATOM 328 O ARG A 25 -0.926 6.514 4.469 1.00 0.00 O ATOM 329 CB ARG A 25 0.227 9.175 6.079 1.00 0.00 C ATOM 330 CG ARG A 25 1.330 10.182 5.800 1.00 0.00 C ATOM 331 CD ARG A 25 2.466 10.056 6.803 1.00 0.00 C ATOM 332 NE ARG A 25 2.151 10.710 8.071 1.00 0.00 N ATOM 333 CZ ARG A 25 2.694 10.360 9.232 1.00 0.00 C ATOM 334 NH1 ARG A 25 3.573 9.370 9.286 1.00 0.00 N ATOM 335 NH2 ARG A 25 2.357 11.003 10.343 1.00 0.00 N ATOM 0 H ARG A 25 1.212 8.137 3.852 1.00 0.00 H new ATOM 0 HA ARG A 25 1.174 7.349 6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.635 9.411 5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.093 9.277 7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.715 10.031 4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.921 11.191 5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.677 9.002 6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.371 10.496 6.383 1.00 0.00 H new ATOM 0 HE ARG A 25 1.478 11.476 8.065 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.835 8.874 8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.988 9.104 10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.681 11.766 10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.774 10.734 11.234 1.00 0.00 H new ATOM 349 N ALA A 26 -1.274 6.515 6.692 1.00 0.00 N ATOM 350 CA ALA A 26 -2.475 5.693 6.615 1.00 0.00 C ATOM 351 C ALA A 26 -3.381 5.930 7.819 1.00 0.00 C ATOM 352 O ALA A 26 -2.943 5.831 8.966 1.00 0.00 O ATOM 353 CB ALA A 26 -2.102 4.222 6.513 1.00 0.00 C ATOM 0 H ALA A 26 -1.013 6.792 7.638 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.025 5.980 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.009 3.620 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.502 4.060 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.527 3.931 7.392 1.00 0.00 H new ATOM 359 N TYR A 27 -4.643 6.243 7.551 1.00 0.00 N ATOM 360 CA TYR A 27 -5.610 6.497 8.614 1.00 0.00 C ATOM 361 C TYR A 27 -7.000 6.012 8.213 1.00 0.00 C ATOM 362 O TYR A 27 -7.358 6.023 7.036 1.00 0.00 O ATOM 363 CB TYR A 27 -5.654 7.989 8.946 1.00 0.00 C ATOM 364 CG TYR A 27 -5.822 8.875 7.732 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.718 9.329 7.020 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.085 9.256 7.296 1.00 0.00 C ATOM 367 CE1 TYR A 27 -4.867 10.139 5.911 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.243 10.065 6.187 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.132 10.504 5.498 1.00 0.00 C ATOM 370 OH TYR A 27 -6.284 11.309 4.393 1.00 0.00 O ATOM 0 H TYR A 27 -5.021 6.327 6.608 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.293 5.944 9.498 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.476 8.175 9.637 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.735 8.265 9.462 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.727 9.044 7.339 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.958 8.914 7.833 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.998 10.485 5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.232 10.352 5.861 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.424 11.722 4.168 1.00 0.00 H new ATOM 380 N ALA A 28 -7.779 5.587 9.202 1.00 0.00 N ATOM 381 CA ALA A 28 -9.130 5.100 8.955 1.00 0.00 C ATOM 382 C ALA A 28 -10.133 6.249 8.941 1.00 0.00 C ATOM 383 O ALA A 28 -10.382 6.880 9.968 1.00 0.00 O ATOM 384 CB ALA A 28 -9.520 4.069 10.003 1.00 0.00 C ATOM 0 H ALA A 28 -7.497 5.570 10.182 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.145 4.627 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.532 3.714 9.806 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.827 3.229 9.963 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.482 4.524 10.993 1.00 0.00 H new ATOM 390 N ALA A 29 -10.705 6.515 7.772 1.00 0.00 N ATOM 391 CA ALA A 29 -11.682 7.588 7.625 1.00 0.00 C ATOM 392 C ALA A 29 -13.071 7.127 8.055 1.00 0.00 C ATOM 393 O ALA A 29 -13.978 7.940 8.229 1.00 0.00 O ATOM 394 CB ALA A 29 -11.710 8.083 6.187 1.00 0.00 C ATOM 0 H ALA A 29 -10.509 6.002 6.912 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.383 8.411 8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.444 8.884 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.725 8.459 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.982 7.261 5.525 1.00 0.00 H new ATOM 400 N SER A 30 -13.229 5.818 8.225 1.00 0.00 N ATOM 401 CA SER A 30 -14.509 5.250 8.630 1.00 0.00 C ATOM 402 C SER A 30 -14.358 3.777 8.997 1.00 0.00 C ATOM 403 O SER A 30 -13.432 3.093 8.558 1.00 0.00 O ATOM 404 CB SER A 30 -15.538 5.405 7.508 1.00 0.00 C ATOM 405 OG SER A 30 -16.420 4.296 7.468 1.00 0.00 O ATOM 0 H SER A 30 -12.487 5.132 8.089 1.00 0.00 H new ATOM 0 HA SER A 30 -14.857 5.792 9.510 1.00 0.00 H new ATOM 0 HB2 SER A 30 -16.108 6.322 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.025 5.501 6.551 1.00 0.00 H new ATOM 0 HG SER A 30 -17.230 4.540 6.973 1.00 0.00 H new ATOM 411 N PRO A 31 -15.288 3.274 9.821 1.00 0.00 N ATOM 412 CA PRO A 31 -15.281 1.877 10.266 1.00 0.00 C ATOM 413 C PRO A 31 -15.617 0.908 9.137 1.00 0.00 C ATOM 414 O PRO A 31 -15.747 -0.297 9.357 1.00 0.00 O ATOM 415 CB PRO A 31 -16.369 1.842 11.342 1.00 0.00 C ATOM 416 CG PRO A 31 -17.286 2.962 10.991 1.00 0.00 C ATOM 417 CD PRO A 31 -16.420 4.031 10.383 1.00 0.00 C ATOM 0 HA PRO A 31 -14.299 1.568 10.624 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.894 0.887 11.343 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.945 1.974 12.338 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.052 2.634 10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.803 3.335 11.875 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.952 4.589 9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.089 4.753 11.129 1.00 0.00 H new ATOM 425 N THR A 32 -15.757 1.441 7.927 1.00 0.00 N ATOM 426 CA THR A 32 -16.079 0.624 6.764 1.00 0.00 C ATOM 427 C THR A 32 -15.088 0.866 5.631 1.00 0.00 C ATOM 428 O THR A 32 -15.070 0.132 4.643 1.00 0.00 O ATOM 429 CB THR A 32 -17.504 0.909 6.254 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.639 2.296 5.927 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.540 0.526 7.300 1.00 0.00 C ATOM 0 H THR A 32 -15.652 2.436 7.727 1.00 0.00 H new ATOM 0 HA THR A 32 -16.017 -0.417 7.082 1.00 0.00 H new ATOM 0 HB THR A 32 -17.673 0.308 5.361 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.172 2.837 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.539 0.736 6.917 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.454 -0.537 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.371 1.104 8.209 1.00 0.00 H new ATOM 439 N SER A 33 -14.264 1.898 5.782 1.00 0.00 N ATOM 440 CA SER A 33 -13.272 2.238 4.769 1.00 0.00 C ATOM 441 C SER A 33 -11.953 2.648 5.417 1.00 0.00 C ATOM 442 O SER A 33 -11.844 2.712 6.642 1.00 0.00 O ATOM 443 CB SER A 33 -13.789 3.369 3.878 1.00 0.00 C ATOM 444 OG SER A 33 -13.351 4.631 4.351 1.00 0.00 O ATOM 0 H SER A 33 -14.264 2.513 6.596 1.00 0.00 H new ATOM 0 HA SER A 33 -13.097 1.354 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.441 3.219 2.856 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.878 3.345 3.850 1.00 0.00 H new ATOM 0 HG SER A 33 -13.693 5.337 3.764 1.00 0.00 H new ATOM 450 N ILE A 34 -10.954 2.925 4.586 1.00 0.00 N ATOM 451 CA ILE A 34 -9.642 3.329 5.077 1.00 0.00 C ATOM 452 C ILE A 34 -8.919 4.202 4.057 1.00 0.00 C ATOM 453 O ILE A 34 -8.607 3.758 2.952 1.00 0.00 O ATOM 454 CB ILE A 34 -8.763 2.108 5.406 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.353 1.330 6.584 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.340 2.549 5.715 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.626 0.037 6.879 1.00 0.00 C ATOM 0 H ILE A 34 -11.028 2.877 3.570 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.809 3.902 5.989 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.739 1.451 4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.331 1.961 7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.400 1.109 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.730 1.675 5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.923 3.064 4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.346 3.224 6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.099 -0.461 7.726 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.670 -0.613 6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.585 0.252 7.119 1.00 0.00 H new ATOM 469 N THR A 35 -8.652 5.449 4.436 1.00 0.00 N ATOM 470 CA THR A 35 -7.965 6.385 3.556 1.00 0.00 C ATOM 471 C THR A 35 -6.453 6.276 3.711 1.00 0.00 C ATOM 472 O THR A 35 -5.934 6.233 4.827 1.00 0.00 O ATOM 473 CB THR A 35 -8.395 7.837 3.834 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.799 7.987 3.595 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.620 8.809 2.958 1.00 0.00 C ATOM 0 H THR A 35 -8.902 5.833 5.347 1.00 0.00 H new ATOM 0 HA THR A 35 -8.243 6.121 2.536 1.00 0.00 H new ATOM 0 HB THR A 35 -8.178 8.062 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.065 8.913 3.776 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.941 9.828 3.173 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.554 8.714 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.808 8.583 1.909 1.00 0.00 H new ATOM 483 N VAL A 36 -5.748 6.232 2.584 1.00 0.00 N ATOM 484 CA VAL A 36 -4.294 6.131 2.596 1.00 0.00 C ATOM 485 C VAL A 36 -3.661 7.197 1.709 1.00 0.00 C ATOM 486 O VAL A 36 -4.077 7.399 0.567 1.00 0.00 O ATOM 487 CB VAL A 36 -3.825 4.742 2.123 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.307 4.649 2.162 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.456 3.649 2.972 1.00 0.00 C ATOM 0 H VAL A 36 -6.161 6.265 1.652 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.975 6.284 3.627 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.147 4.601 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.994 3.661 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.879 5.408 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.959 4.811 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.114 2.675 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.166 3.785 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.541 3.704 2.888 1.00 0.00 H new ATOM 499 N THR A 37 -2.652 7.880 2.242 1.00 0.00 N ATOM 500 CA THR A 37 -1.962 8.927 1.499 1.00 0.00 C ATOM 501 C THR A 37 -0.460 8.672 1.457 1.00 0.00 C ATOM 502 O THR A 37 0.151 8.333 2.471 1.00 0.00 O ATOM 503 CB THR A 37 -2.218 10.315 2.117 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.700 10.361 3.451 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.706 10.633 2.134 1.00 0.00 C ATOM 0 H THR A 37 -2.295 7.727 3.185 1.00 0.00 H new ATOM 0 HA THR A 37 -2.359 8.910 0.484 1.00 0.00 H new ATOM 0 HB THR A 37 -1.710 11.060 1.505 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.865 11.247 3.836 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.863 11.618 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.091 10.626 1.114 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.232 9.883 2.725 1.00 0.00 H new ATOM 513 N TRP A 38 0.130 8.837 0.279 1.00 0.00 N ATOM 514 CA TRP A 38 1.563 8.625 0.105 1.00 0.00 C ATOM 515 C TRP A 38 2.187 9.756 -0.705 1.00 0.00 C ATOM 516 O TRP A 38 1.481 10.525 -1.358 1.00 0.00 O ATOM 517 CB TRP A 38 1.821 7.284 -0.584 1.00 0.00 C ATOM 518 CG TRP A 38 1.094 7.137 -1.887 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.576 7.426 -3.131 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.245 6.665 -2.072 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.617 7.163 -4.080 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.509 6.695 -3.456 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.246 6.219 -1.205 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.732 6.297 -3.988 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.459 5.825 -1.735 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.694 5.865 -3.116 1.00 0.00 C ATOM 0 H TRP A 38 -0.361 9.117 -0.570 1.00 0.00 H new ATOM 0 HA TRP A 38 2.026 8.613 1.092 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.891 7.173 -0.759 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.522 6.477 0.084 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.565 7.806 -3.339 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.726 7.295 -5.086 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.074 6.183 -0.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.915 6.328 -5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.240 5.480 -1.074 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.653 5.549 -3.499 1.00 0.00 H new ATOM 537 N GLU A 39 3.512 9.851 -0.659 1.00 0.00 N ATOM 538 CA GLU A 39 4.229 10.889 -1.389 1.00 0.00 C ATOM 539 C GLU A 39 5.039 10.288 -2.534 1.00 0.00 C ATOM 540 O GLU A 39 5.259 9.078 -2.586 1.00 0.00 O ATOM 541 CB GLU A 39 5.153 11.662 -0.446 1.00 0.00 C ATOM 542 CG GLU A 39 4.423 12.658 0.440 1.00 0.00 C ATOM 543 CD GLU A 39 5.326 13.774 0.929 1.00 0.00 C ATOM 544 OE1 GLU A 39 6.539 13.528 1.091 1.00 0.00 O ATOM 545 OE2 GLU A 39 4.818 14.894 1.149 1.00 0.00 O ATOM 0 H GLU A 39 4.110 9.222 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 39 3.494 11.576 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.690 10.953 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.900 12.193 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.588 13.087 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.001 12.135 1.298 1.00 0.00 H new ATOM 552 N THR A 40 5.482 11.143 -3.451 1.00 0.00 N ATOM 553 CA THR A 40 6.266 10.698 -4.595 1.00 0.00 C ATOM 554 C THR A 40 7.749 10.619 -4.249 1.00 0.00 C ATOM 555 O THR A 40 8.332 11.552 -3.697 1.00 0.00 O ATOM 556 CB THR A 40 6.082 11.638 -5.802 1.00 0.00 C ATOM 557 OG1 THR A 40 4.739 11.551 -6.291 1.00 0.00 O ATOM 558 CG2 THR A 40 7.057 11.286 -6.916 1.00 0.00 C ATOM 0 H THR A 40 5.311 12.148 -3.423 1.00 0.00 H new ATOM 0 HA THR A 40 5.904 9.704 -4.858 1.00 0.00 H new ATOM 0 HB THR A 40 6.283 12.658 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.659 10.782 -6.893 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.908 11.963 -7.757 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.079 11.382 -6.549 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.883 10.260 -7.241 1.00 0.00 H new ATOM 566 N PRO A 41 8.375 9.480 -4.579 1.00 0.00 N ATOM 567 CA PRO A 41 9.798 9.253 -4.313 1.00 0.00 C ATOM 568 C PRO A 41 10.697 10.117 -5.191 1.00 0.00 C ATOM 569 O PRO A 41 10.788 9.906 -6.401 1.00 0.00 O ATOM 570 CB PRO A 41 9.989 7.771 -4.646 1.00 0.00 C ATOM 571 CG PRO A 41 8.909 7.460 -5.624 1.00 0.00 C ATOM 572 CD PRO A 41 7.741 8.326 -5.239 1.00 0.00 C ATOM 0 HA PRO A 41 10.068 9.512 -3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.975 7.585 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.906 7.151 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.233 7.671 -6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.641 6.404 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.162 8.630 -6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.058 7.805 -4.568 1.00 0.00 H new ATOM 580 N VAL A 42 11.360 11.090 -4.575 1.00 0.00 N ATOM 581 CA VAL A 42 12.254 11.985 -5.300 1.00 0.00 C ATOM 582 C VAL A 42 13.197 11.203 -6.208 1.00 0.00 C ATOM 583 O VAL A 42 13.380 11.548 -7.375 1.00 0.00 O ATOM 584 CB VAL A 42 13.087 12.850 -4.336 1.00 0.00 C ATOM 585 CG1 VAL A 42 12.178 13.663 -3.427 1.00 0.00 C ATOM 586 CG2 VAL A 42 14.030 11.979 -3.519 1.00 0.00 C ATOM 0 H VAL A 42 11.295 11.279 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 42 11.625 12.636 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 42 13.687 13.544 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.784 14.268 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.548 14.315 -4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.550 12.990 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.611 12.606 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.451 11.260 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.705 11.446 -4.189 1.00 0.00 H new ATOM 596 N SER A 43 13.793 10.147 -5.664 1.00 0.00 N ATOM 597 CA SER A 43 14.720 9.317 -6.423 1.00 0.00 C ATOM 598 C SER A 43 13.967 8.289 -7.262 1.00 0.00 C ATOM 599 O SER A 43 13.652 7.197 -6.792 1.00 0.00 O ATOM 600 CB SER A 43 15.693 8.607 -5.479 1.00 0.00 C ATOM 601 OG SER A 43 16.413 7.593 -6.158 1.00 0.00 O ATOM 0 H SER A 43 13.650 9.846 -4.700 1.00 0.00 H new ATOM 0 HA SER A 43 15.284 9.966 -7.094 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.389 9.332 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.143 8.171 -4.645 1.00 0.00 H new ATOM 0 HG SER A 43 17.029 7.155 -5.534 1.00 0.00 H new ATOM 607 N GLY A 44 13.681 8.649 -8.510 1.00 0.00 N ATOM 608 CA GLY A 44 12.968 7.748 -9.397 1.00 0.00 C ATOM 609 C GLY A 44 13.242 8.035 -10.859 1.00 0.00 C ATOM 610 O GLY A 44 13.101 9.170 -11.312 1.00 0.00 O ATOM 0 H GLY A 44 13.930 9.548 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.254 6.720 -9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.898 7.830 -9.209 1.00 0.00 H new ATOM 614 N ASN A 45 13.636 7.004 -11.600 1.00 0.00 N ATOM 615 CA ASN A 45 13.933 7.153 -13.020 1.00 0.00 C ATOM 616 C ASN A 45 12.651 7.331 -13.828 1.00 0.00 C ATOM 617 O ASN A 45 11.730 6.520 -13.738 1.00 0.00 O ATOM 618 CB ASN A 45 14.706 5.935 -13.530 1.00 0.00 C ATOM 619 CG ASN A 45 16.017 5.733 -12.795 1.00 0.00 C ATOM 620 OD1 ASN A 45 16.035 5.291 -11.646 1.00 0.00 O ATOM 621 ND2 ASN A 45 17.122 6.056 -13.456 1.00 0.00 N ATOM 0 H ASN A 45 13.757 6.057 -11.241 1.00 0.00 H new ATOM 0 HA ASN A 45 14.547 8.044 -13.146 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.089 5.044 -13.418 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.904 6.054 -14.595 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.033 5.941 -13.013 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.060 6.419 -14.407 1.00 0.00 H new ATOM 628 N GLY A 46 12.600 8.398 -14.619 1.00 0.00 N ATOM 629 CA GLY A 46 11.428 8.663 -15.432 1.00 0.00 C ATOM 630 C GLY A 46 10.196 8.949 -14.597 1.00 0.00 C ATOM 631 O GLY A 46 10.123 8.558 -13.433 1.00 0.00 O ATOM 0 H GLY A 46 13.350 9.084 -14.711 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.627 9.514 -16.084 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.235 7.805 -16.077 1.00 0.00 H new ATOM 635 N GLU A 47 9.225 9.635 -15.193 1.00 0.00 N ATOM 636 CA GLU A 47 7.991 9.975 -14.494 1.00 0.00 C ATOM 637 C GLU A 47 7.114 8.740 -14.308 1.00 0.00 C ATOM 638 O GLU A 47 6.935 7.947 -15.233 1.00 0.00 O ATOM 639 CB GLU A 47 7.221 11.049 -15.266 1.00 0.00 C ATOM 640 CG GLU A 47 7.609 12.468 -14.884 1.00 0.00 C ATOM 641 CD GLU A 47 7.084 12.868 -13.519 1.00 0.00 C ATOM 642 OE1 GLU A 47 5.852 13.016 -13.377 1.00 0.00 O ATOM 643 OE2 GLU A 47 7.905 13.034 -12.592 1.00 0.00 O ATOM 0 H GLU A 47 9.269 9.966 -16.157 1.00 0.00 H new ATOM 0 HA GLU A 47 8.255 10.364 -13.511 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.391 10.910 -16.334 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.153 10.914 -15.093 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.695 12.559 -14.892 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.226 13.160 -15.634 1.00 0.00 H new ATOM 650 N ILE A 48 6.570 8.584 -13.105 1.00 0.00 N ATOM 651 CA ILE A 48 5.711 7.448 -12.797 1.00 0.00 C ATOM 652 C ILE A 48 4.494 7.414 -13.714 1.00 0.00 C ATOM 653 O ILE A 48 3.782 8.408 -13.854 1.00 0.00 O ATOM 654 CB ILE A 48 5.236 7.482 -11.333 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.437 7.499 -10.384 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.339 6.288 -11.039 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.368 6.321 -10.567 1.00 0.00 C ATOM 0 H ILE A 48 6.709 9.230 -12.328 1.00 0.00 H new ATOM 0 HA ILE A 48 6.307 6.550 -12.956 1.00 0.00 H new ATOM 0 HB ILE A 48 4.659 8.393 -11.175 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.997 8.422 -10.536 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.077 7.511 -9.355 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.011 6.326 -10.000 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.469 6.316 -11.695 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.893 5.365 -11.211 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.196 6.399 -9.862 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.823 5.395 -10.386 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.757 6.320 -11.585 1.00 0.00 H new ATOM 669 N GLN A 49 4.259 6.263 -14.336 1.00 0.00 N ATOM 670 CA GLN A 49 3.126 6.099 -15.239 1.00 0.00 C ATOM 671 C GLN A 49 1.832 5.900 -14.458 1.00 0.00 C ATOM 672 O GLN A 49 0.832 6.570 -14.713 1.00 0.00 O ATOM 673 CB GLN A 49 3.359 4.911 -16.174 1.00 0.00 C ATOM 674 CG GLN A 49 4.642 5.016 -16.983 1.00 0.00 C ATOM 675 CD GLN A 49 4.777 6.350 -17.691 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.782 7.004 -18.004 1.00 0.00 O ATOM 677 NE2 GLN A 49 6.014 6.762 -17.947 1.00 0.00 N ATOM 0 H GLN A 49 4.838 5.430 -14.231 1.00 0.00 H new ATOM 0 HA GLN A 49 3.034 7.008 -15.834 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.385 3.995 -15.584 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.514 4.826 -16.858 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.497 4.871 -16.322 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.669 4.213 -17.720 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.810 6.188 -17.670 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.167 7.652 -18.421 1.00 0.00 H new ATOM 686 N ASN A 50 1.858 4.974 -13.504 1.00 0.00 N ATOM 687 CA ASN A 50 0.686 4.687 -12.686 1.00 0.00 C ATOM 688 C ASN A 50 1.096 4.167 -11.311 1.00 0.00 C ATOM 689 O ASN A 50 2.232 3.736 -11.113 1.00 0.00 O ATOM 690 CB ASN A 50 -0.210 3.662 -13.384 1.00 0.00 C ATOM 691 CG ASN A 50 0.247 2.236 -13.144 1.00 0.00 C ATOM 692 OD1 ASN A 50 1.317 1.830 -13.598 1.00 0.00 O ATOM 693 ND2 ASN A 50 -0.565 1.467 -12.428 1.00 0.00 N ATOM 0 H ASN A 50 2.678 4.410 -13.279 1.00 0.00 H new ATOM 0 HA ASN A 50 0.130 5.615 -12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.234 3.777 -13.029 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.220 3.862 -14.455 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.311 0.498 -12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.443 1.845 -12.071 1.00 0.00 H new ATOM 700 N TYR A 51 0.164 4.211 -10.366 1.00 0.00 N ATOM 701 CA TYR A 51 0.428 3.747 -9.010 1.00 0.00 C ATOM 702 C TYR A 51 -0.456 2.553 -8.660 1.00 0.00 C ATOM 703 O TYR A 51 -1.639 2.522 -8.998 1.00 0.00 O ATOM 704 CB TYR A 51 0.197 4.878 -8.007 1.00 0.00 C ATOM 705 CG TYR A 51 1.213 5.994 -8.107 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.472 5.866 -7.535 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.913 7.175 -8.773 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.404 6.882 -7.623 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.838 8.197 -8.868 1.00 0.00 C ATOM 710 CZ TYR A 51 3.082 8.045 -8.291 1.00 0.00 C ATOM 711 OH TYR A 51 4.006 9.061 -8.382 1.00 0.00 O ATOM 0 H TYR A 51 -0.782 4.564 -10.514 1.00 0.00 H new ATOM 0 HA TYR A 51 1.470 3.432 -8.958 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.800 5.291 -8.161 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.219 4.467 -6.998 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.727 4.956 -7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.060 7.297 -9.225 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.378 6.766 -7.172 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.589 9.109 -9.390 1.00 0.00 H new ATOM 0 HH TYR A 51 3.621 9.809 -8.885 1.00 0.00 H new ATOM 721 N LYS A 52 0.128 1.572 -7.980 1.00 0.00 N ATOM 722 CA LYS A 52 -0.604 0.376 -7.582 1.00 0.00 C ATOM 723 C LYS A 52 -0.685 0.269 -6.062 1.00 0.00 C ATOM 724 O LYS A 52 0.330 0.090 -5.388 1.00 0.00 O ATOM 725 CB LYS A 52 0.067 -0.873 -8.157 1.00 0.00 C ATOM 726 CG LYS A 52 -0.902 -2.008 -8.440 1.00 0.00 C ATOM 727 CD LYS A 52 -0.194 -3.207 -9.050 1.00 0.00 C ATOM 728 CE LYS A 52 -1.120 -3.997 -9.961 1.00 0.00 C ATOM 729 NZ LYS A 52 -1.063 -3.509 -11.367 1.00 0.00 N ATOM 0 H LYS A 52 1.107 1.582 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.617 0.451 -7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.581 -0.607 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.827 -1.221 -7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.394 -2.307 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.682 -1.661 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.674 -2.869 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.176 -3.855 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.846 -5.052 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.143 -3.923 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.708 -4.073 -11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.349 -2.510 -11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.092 -3.603 -11.728 1.00 0.00 H new ATOM 743 N LEU A 53 -1.897 0.377 -5.530 1.00 0.00 N ATOM 744 CA LEU A 53 -2.110 0.291 -4.089 1.00 0.00 C ATOM 745 C LEU A 53 -2.676 -1.072 -3.703 1.00 0.00 C ATOM 746 O LEU A 53 -3.636 -1.551 -4.307 1.00 0.00 O ATOM 747 CB LEU A 53 -3.058 1.398 -3.626 1.00 0.00 C ATOM 748 CG LEU A 53 -3.655 1.230 -2.229 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.575 1.365 -1.167 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.763 2.247 -1.996 1.00 0.00 C ATOM 0 H LEU A 53 -2.747 0.524 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.146 0.417 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.521 2.346 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.876 1.471 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.085 0.231 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.019 1.243 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.815 0.599 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.116 2.351 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.176 2.112 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.357 3.255 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.550 2.104 -2.736 1.00 0.00 H new ATOM 762 N TYR A 54 -2.075 -1.692 -2.693 1.00 0.00 N ATOM 763 CA TYR A 54 -2.519 -3.000 -2.226 1.00 0.00 C ATOM 764 C TYR A 54 -3.280 -2.879 -0.910 1.00 0.00 C ATOM 765 O TYR A 54 -3.172 -1.875 -0.207 1.00 0.00 O ATOM 766 CB TYR A 54 -1.321 -3.935 -2.052 1.00 0.00 C ATOM 767 CG TYR A 54 -0.666 -4.330 -3.356 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.152 -3.369 -4.217 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.561 -5.665 -3.727 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.447 -3.725 -5.410 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.037 -6.031 -4.918 1.00 0.00 C ATOM 772 CZ TYR A 54 0.539 -5.057 -5.756 1.00 0.00 C ATOM 773 OH TYR A 54 1.136 -5.416 -6.943 1.00 0.00 O ATOM 0 H TYR A 54 -1.279 -1.310 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.191 -3.417 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.581 -3.449 -1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.646 -4.836 -1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.222 -2.325 -3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.954 -6.430 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.841 -2.965 -6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.111 -7.073 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 54 1.120 -6.392 -7.035 1.00 0.00 H new ATOM 783 N TYR A 55 -4.050 -3.911 -0.583 1.00 0.00 N ATOM 784 CA TYR A 55 -4.831 -3.922 0.648 1.00 0.00 C ATOM 785 C TYR A 55 -5.259 -5.341 1.009 1.00 0.00 C ATOM 786 O TYR A 55 -5.747 -6.089 0.162 1.00 0.00 O ATOM 787 CB TYR A 55 -6.063 -3.027 0.503 1.00 0.00 C ATOM 788 CG TYR A 55 -7.089 -3.563 -0.470 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.858 -3.532 -1.840 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.289 -4.098 -0.020 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.793 -4.020 -2.733 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.229 -4.589 -0.906 1.00 0.00 C ATOM 793 CZ TYR A 55 -8.976 -4.547 -2.261 1.00 0.00 C ATOM 794 OH TYR A 55 -9.911 -5.034 -3.146 1.00 0.00 O ATOM 0 H TYR A 55 -4.150 -4.751 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.202 -3.536 1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.530 -2.905 1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.746 -2.037 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.932 -3.120 -2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.491 -4.131 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.598 -3.989 -3.795 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.157 -5.003 -0.539 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.687 -5.370 -2.650 1.00 0.00 H new ATOM 804 N MET A 56 -5.074 -5.705 2.274 1.00 0.00 N ATOM 805 CA MET A 56 -5.443 -7.033 2.749 1.00 0.00 C ATOM 806 C MET A 56 -5.740 -7.013 4.245 1.00 0.00 C ATOM 807 O MET A 56 -5.326 -6.097 4.956 1.00 0.00 O ATOM 808 CB MET A 56 -4.323 -8.033 2.453 1.00 0.00 C ATOM 809 CG MET A 56 -3.314 -8.167 3.582 1.00 0.00 C ATOM 810 SD MET A 56 -1.762 -8.910 3.042 1.00 0.00 S ATOM 811 CE MET A 56 -1.353 -9.914 4.468 1.00 0.00 C ATOM 0 H MET A 56 -4.671 -5.099 2.988 1.00 0.00 H new ATOM 0 HA MET A 56 -6.346 -7.342 2.222 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.763 -9.010 2.252 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.802 -7.725 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.113 -7.182 4.004 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.745 -8.773 4.379 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.415 -10.438 4.287 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.248 -9.275 5.345 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.147 -10.641 4.641 1.00 0.00 H new ATOM 821 N GLU A 57 -6.458 -8.027 4.715 1.00 0.00 N ATOM 822 CA GLU A 57 -6.811 -8.123 6.127 1.00 0.00 C ATOM 823 C GLU A 57 -5.692 -8.789 6.923 1.00 0.00 C ATOM 824 O GLU A 57 -5.094 -9.768 6.476 1.00 0.00 O ATOM 825 CB GLU A 57 -8.111 -8.911 6.298 1.00 0.00 C ATOM 826 CG GLU A 57 -8.512 -9.116 7.750 1.00 0.00 C ATOM 827 CD GLU A 57 -9.403 -10.328 7.943 1.00 0.00 C ATOM 828 OE1 GLU A 57 -9.219 -11.323 7.212 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.284 -10.280 8.827 1.00 0.00 O ATOM 0 H GLU A 57 -6.807 -8.794 4.140 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.954 -7.112 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.914 -8.388 5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.002 -9.884 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.615 -9.229 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.031 -8.227 8.109 1.00 0.00 H new ATOM 836 N LYS A 58 -5.413 -8.250 8.105 1.00 0.00 N ATOM 837 CA LYS A 58 -4.367 -8.789 8.965 1.00 0.00 C ATOM 838 C LYS A 58 -4.672 -10.233 9.353 1.00 0.00 C ATOM 839 O LYS A 58 -5.513 -10.489 10.214 1.00 0.00 O ATOM 840 CB LYS A 58 -4.220 -7.932 10.224 1.00 0.00 C ATOM 841 CG LYS A 58 -2.813 -7.927 10.796 1.00 0.00 C ATOM 842 CD LYS A 58 -1.964 -6.827 10.179 1.00 0.00 C ATOM 843 CE LYS A 58 -0.480 -7.141 10.290 1.00 0.00 C ATOM 844 NZ LYS A 58 -0.001 -7.065 11.698 1.00 0.00 N ATOM 0 H LYS A 58 -5.898 -7.439 8.489 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.430 -8.770 8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.513 -6.908 9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.911 -8.297 10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.859 -7.790 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.343 -8.894 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.233 -6.703 9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.175 -5.880 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.289 -8.139 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.086 -6.441 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.015 -7.285 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.160 -6.106 12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.523 -7.751 12.280 1.00 0.00 H new ATOM 858 N GLY A 59 -3.983 -11.172 8.713 1.00 0.00 N ATOM 859 CA GLY A 59 -4.195 -12.577 9.006 1.00 0.00 C ATOM 860 C GLY A 59 -4.948 -13.293 7.903 1.00 0.00 C ATOM 861 O GLY A 59 -5.860 -14.076 8.169 1.00 0.00 O ATOM 0 H GLY A 59 -3.282 -10.985 7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.231 -13.063 9.158 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.749 -12.670 9.940 1.00 0.00 H new ATOM 865 N THR A 60 -4.568 -13.024 6.658 1.00 0.00 N ATOM 866 CA THR A 60 -5.215 -13.645 5.509 1.00 0.00 C ATOM 867 C THR A 60 -4.191 -14.293 4.584 1.00 0.00 C ATOM 868 O THR A 60 -4.432 -15.365 4.030 1.00 0.00 O ATOM 869 CB THR A 60 -6.040 -12.621 4.707 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.588 -11.635 5.589 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.163 -13.308 3.945 1.00 0.00 C ATOM 0 H THR A 60 -3.814 -12.379 6.420 1.00 0.00 H new ATOM 0 HA THR A 60 -5.883 -14.412 5.900 1.00 0.00 H new ATOM 0 HB THR A 60 -5.378 -12.137 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.886 -11.004 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.732 -12.565 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.741 -14.037 3.253 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.823 -13.816 4.649 1.00 0.00 H new ATOM 879 N ASP A 61 -3.048 -13.635 4.422 1.00 0.00 N ATOM 880 CA ASP A 61 -1.986 -14.148 3.565 1.00 0.00 C ATOM 881 C ASP A 61 -2.349 -13.985 2.092 1.00 0.00 C ATOM 882 O ASP A 61 -1.915 -14.764 1.244 1.00 0.00 O ATOM 883 CB ASP A 61 -1.716 -15.621 3.876 1.00 0.00 C ATOM 884 CG ASP A 61 -0.318 -16.050 3.477 1.00 0.00 C ATOM 885 OD1 ASP A 61 -0.139 -16.484 2.320 1.00 0.00 O ATOM 886 OD2 ASP A 61 0.596 -15.954 4.323 1.00 0.00 O ATOM 0 H ASP A 61 -2.834 -12.746 4.873 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.083 -13.571 3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.856 -15.796 4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.446 -16.239 3.353 1.00 0.00 H new ATOM 891 N LYS A 62 -3.151 -12.967 1.795 1.00 0.00 N ATOM 892 CA LYS A 62 -3.574 -12.700 0.425 1.00 0.00 C ATOM 893 C LYS A 62 -3.922 -11.227 0.241 1.00 0.00 C ATOM 894 O LYS A 62 -4.922 -10.746 0.772 1.00 0.00 O ATOM 895 CB LYS A 62 -4.780 -13.569 0.064 1.00 0.00 C ATOM 896 CG LYS A 62 -5.409 -13.212 -1.272 1.00 0.00 C ATOM 897 CD LYS A 62 -4.784 -14.000 -2.411 1.00 0.00 C ATOM 898 CE LYS A 62 -5.741 -14.135 -3.585 1.00 0.00 C ATOM 899 NZ LYS A 62 -5.081 -14.749 -4.771 1.00 0.00 N ATOM 0 H LYS A 62 -3.521 -12.313 2.485 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.745 -12.945 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.471 -14.614 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.532 -13.475 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.480 -13.411 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.289 -12.145 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.871 -13.504 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.499 -14.991 -2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.595 -14.744 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.128 -13.152 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.766 -14.824 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.281 -14.155 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.734 -15.698 -4.523 1.00 0.00 H new ATOM 913 N GLU A 63 -3.091 -10.517 -0.516 1.00 0.00 N ATOM 914 CA GLU A 63 -3.313 -9.098 -0.770 1.00 0.00 C ATOM 915 C GLU A 63 -3.752 -8.866 -2.213 1.00 0.00 C ATOM 916 O GLU A 63 -3.477 -9.680 -3.094 1.00 0.00 O ATOM 917 CB GLU A 63 -2.041 -8.300 -0.477 1.00 0.00 C ATOM 918 CG GLU A 63 -0.971 -8.446 -1.546 1.00 0.00 C ATOM 919 CD GLU A 63 -0.097 -9.666 -1.334 1.00 0.00 C ATOM 920 OE1 GLU A 63 0.162 -10.015 -0.163 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.329 -10.272 -2.339 1.00 0.00 O ATOM 0 H GLU A 63 -2.259 -10.901 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.108 -8.756 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.299 -7.246 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.632 -8.623 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.447 -8.510 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.346 -7.553 -1.554 1.00 0.00 H new ATOM 928 N GLN A 64 -4.436 -7.751 -2.445 1.00 0.00 N ATOM 929 CA GLN A 64 -4.914 -7.412 -3.780 1.00 0.00 C ATOM 930 C GLN A 64 -4.236 -6.148 -4.297 1.00 0.00 C ATOM 931 O GLN A 64 -3.347 -5.598 -3.646 1.00 0.00 O ATOM 932 CB GLN A 64 -6.432 -7.222 -3.768 1.00 0.00 C ATOM 933 CG GLN A 64 -7.209 -8.527 -3.838 1.00 0.00 C ATOM 934 CD GLN A 64 -8.631 -8.334 -4.328 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.589 -8.677 -3.636 1.00 0.00 O ATOM 936 NE2 GLN A 64 -8.774 -7.782 -5.527 1.00 0.00 N ATOM 0 H GLN A 64 -4.672 -7.067 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.663 -8.236 -4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.716 -6.688 -2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.718 -6.593 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.691 -9.219 -4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.228 -8.987 -2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.951 -7.513 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.707 -7.627 -5.909 1.00 0.00 H new ATOM 945 N ASP A 65 -4.660 -5.693 -5.471 1.00 0.00 N ATOM 946 CA ASP A 65 -4.093 -4.492 -6.075 1.00 0.00 C ATOM 947 C ASP A 65 -5.181 -3.653 -6.738 1.00 0.00 C ATOM 948 O ASP A 65 -6.087 -4.185 -7.379 1.00 0.00 O ATOM 949 CB ASP A 65 -3.025 -4.869 -7.103 1.00 0.00 C ATOM 950 CG ASP A 65 -3.532 -5.866 -8.126 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.764 -5.962 -8.300 1.00 0.00 O ATOM 952 OD2 ASP A 65 -2.696 -6.551 -8.752 1.00 0.00 O ATOM 0 H ASP A 65 -5.394 -6.137 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.633 -3.899 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.684 -3.969 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.161 -5.289 -6.588 1.00 0.00 H new ATOM 957 N VAL A 66 -5.085 -2.336 -6.578 1.00 0.00 N ATOM 958 CA VAL A 66 -6.061 -1.423 -7.160 1.00 0.00 C ATOM 959 C VAL A 66 -5.374 -0.331 -7.974 1.00 0.00 C ATOM 960 O VAL A 66 -4.388 0.259 -7.532 1.00 0.00 O ATOM 961 CB VAL A 66 -6.933 -0.766 -6.074 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.699 -1.823 -5.293 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.077 0.080 -5.144 1.00 0.00 C ATOM 0 H VAL A 66 -4.341 -1.879 -6.050 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.698 -2.016 -7.816 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.657 -0.112 -6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.310 -1.340 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.342 -2.382 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.995 -2.505 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.709 0.537 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.329 -0.551 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.579 0.861 -5.718 1.00 0.00 H new ATOM 973 N ASP A 67 -5.902 -0.067 -9.164 1.00 0.00 N ATOM 974 CA ASP A 67 -5.342 0.955 -10.039 1.00 0.00 C ATOM 975 C ASP A 67 -5.734 2.351 -9.566 1.00 0.00 C ATOM 976 O ASP A 67 -6.862 2.796 -9.781 1.00 0.00 O ATOM 977 CB ASP A 67 -5.813 0.739 -11.478 1.00 0.00 C ATOM 978 CG ASP A 67 -5.018 1.557 -12.477 1.00 0.00 C ATOM 979 OD1 ASP A 67 -3.887 1.148 -12.812 1.00 0.00 O ATOM 980 OD2 ASP A 67 -5.528 2.605 -12.924 1.00 0.00 O ATOM 0 H ASP A 67 -6.717 -0.547 -9.545 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.256 0.872 -10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.729 -0.318 -11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.868 1.002 -11.555 1.00 0.00 H new ATOM 985 N VAL A 68 -4.797 3.037 -8.920 1.00 0.00 N ATOM 986 CA VAL A 68 -5.045 4.382 -8.416 1.00 0.00 C ATOM 987 C VAL A 68 -4.368 5.430 -9.292 1.00 0.00 C ATOM 988 O VAL A 68 -3.322 5.175 -9.888 1.00 0.00 O ATOM 989 CB VAL A 68 -4.546 4.540 -6.967 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.631 5.994 -6.528 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.341 3.644 -6.030 1.00 0.00 C ATOM 0 H VAL A 68 -3.859 2.683 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.124 4.535 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.501 4.234 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.274 6.086 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.014 6.609 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.666 6.331 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.975 3.768 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.395 3.917 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.223 2.604 -6.334 1.00 0.00 H new ATOM 1001 N SER A 69 -4.972 6.612 -9.365 1.00 0.00 N ATOM 1002 CA SER A 69 -4.430 7.700 -10.171 1.00 0.00 C ATOM 1003 C SER A 69 -3.967 8.853 -9.286 1.00 0.00 C ATOM 1004 O SER A 69 -3.025 9.570 -9.624 1.00 0.00 O ATOM 1005 CB SER A 69 -5.478 8.196 -11.168 1.00 0.00 C ATOM 1006 OG SER A 69 -6.563 8.818 -10.500 1.00 0.00 O ATOM 0 H SER A 69 -5.837 6.841 -8.876 1.00 0.00 H new ATOM 0 HA SER A 69 -3.569 7.318 -10.720 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.020 8.902 -11.861 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.844 7.359 -11.762 1.00 0.00 H new ATOM 0 HG SER A 69 -7.219 9.128 -11.159 1.00 0.00 H new ATOM 1012 N SER A 70 -4.636 9.025 -8.151 1.00 0.00 N ATOM 1013 CA SER A 70 -4.297 10.094 -7.218 1.00 0.00 C ATOM 1014 C SER A 70 -3.464 9.558 -6.058 1.00 0.00 C ATOM 1015 O SER A 70 -3.586 8.393 -5.677 1.00 0.00 O ATOM 1016 CB SER A 70 -5.569 10.756 -6.685 1.00 0.00 C ATOM 1017 OG SER A 70 -6.118 11.649 -7.639 1.00 0.00 O ATOM 0 H SER A 70 -5.416 8.438 -7.855 1.00 0.00 H new ATOM 0 HA SER A 70 -3.706 10.837 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.303 9.990 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.344 11.295 -5.765 1.00 0.00 H new ATOM 0 HG SER A 70 -6.931 12.058 -7.275 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.617 10.416 -5.499 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.764 10.031 -4.381 1.00 0.00 C ATOM 1025 C HIS A 71 -2.594 9.465 -3.233 1.00 0.00 C ATOM 1026 O HIS A 71 -2.230 8.458 -2.627 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.950 11.231 -3.895 1.00 0.00 C ATOM 1028 CG HIS A 71 0.117 11.659 -4.854 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.100 12.874 -5.506 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.240 11.026 -5.269 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.165 12.969 -6.282 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.873 11.861 -6.156 1.00 0.00 N ATOM 0 H HIS A 71 -2.503 11.383 -5.802 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.081 9.256 -4.728 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.624 12.069 -3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.489 10.984 -2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.575 10.047 -4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.414 13.810 -6.912 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.748 11.659 -6.639 1.00 0.00 H new ATOM 1041 N SER A 72 -3.712 10.122 -2.938 1.00 0.00 N ATOM 1042 CA SER A 72 -4.592 9.687 -1.860 1.00 0.00 C ATOM 1043 C SER A 72 -5.779 8.903 -2.410 1.00 0.00 C ATOM 1044 O SER A 72 -6.427 9.326 -3.367 1.00 0.00 O ATOM 1045 CB SER A 72 -5.089 10.894 -1.062 1.00 0.00 C ATOM 1046 OG SER A 72 -5.886 11.745 -1.867 1.00 0.00 O ATOM 0 H SER A 72 -4.029 10.957 -3.430 1.00 0.00 H new ATOM 0 HA SER A 72 -4.022 9.033 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.668 10.553 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.237 11.451 -0.671 1.00 0.00 H new ATOM 0 HG SER A 72 -6.308 11.221 -2.579 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.058 7.758 -1.797 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.165 6.912 -2.226 1.00 0.00 C ATOM 1054 C TYR A 73 -7.960 6.405 -1.026 1.00 0.00 C ATOM 1055 O TYR A 73 -7.394 6.093 0.022 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.644 5.728 -3.043 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.739 4.856 -3.613 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.413 5.221 -4.772 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.101 3.666 -2.993 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.415 4.428 -5.296 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.101 2.866 -3.510 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.755 3.251 -4.662 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.752 2.457 -5.181 1.00 0.00 O ATOM 0 H TYR A 73 -5.533 7.395 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.826 7.513 -2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.029 6.104 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.998 5.118 -2.412 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.149 6.141 -5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.591 3.361 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.929 4.728 -6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.369 1.944 -3.015 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.867 1.665 -4.616 1.00 0.00 H new ATOM 1073 N THR A 74 -9.277 6.324 -1.188 1.00 0.00 N ATOM 1074 CA THR A 74 -10.151 5.856 -0.120 1.00 0.00 C ATOM 1075 C THR A 74 -10.736 4.487 -0.449 1.00 0.00 C ATOM 1076 O THR A 74 -11.576 4.358 -1.339 1.00 0.00 O ATOM 1077 CB THR A 74 -11.303 6.845 0.137 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.781 8.163 0.343 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.119 6.423 1.349 1.00 0.00 C ATOM 0 H THR A 74 -9.762 6.577 -2.049 1.00 0.00 H new ATOM 0 HA THR A 74 -9.539 5.781 0.779 1.00 0.00 H new ATOM 0 HB THR A 74 -11.954 6.845 -0.737 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.520 8.786 0.504 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.927 7.137 1.510 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.539 5.432 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.476 6.397 2.229 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.287 3.468 0.276 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.768 2.109 0.062 1.00 0.00 C ATOM 1089 C ILE A 75 -12.027 1.836 0.878 1.00 0.00 C ATOM 1090 O ILE A 75 -11.978 1.758 2.105 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.695 1.067 0.431 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.447 1.259 -0.435 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.246 -0.342 0.269 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.215 0.582 0.123 1.00 0.00 C ATOM 0 H ILE A 75 -9.591 3.558 1.016 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.999 2.020 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.416 1.209 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.644 0.870 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.249 2.326 -0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.476 -1.067 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.108 -0.473 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.550 -0.497 -0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.370 0.760 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.992 0.988 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.394 -0.490 0.203 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.153 1.690 0.188 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.425 1.425 0.849 1.00 0.00 C ATOM 1108 C ASN A 76 -14.737 -0.069 0.848 1.00 0.00 C ATOM 1109 O ASN A 76 -14.077 -0.851 0.166 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.553 2.193 0.157 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.589 3.654 0.560 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -16.594 4.143 1.077 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.490 4.360 0.324 1.00 0.00 N ATOM 0 H ASN A 76 -13.210 1.751 -0.829 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.346 1.762 1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.429 2.120 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.508 1.728 0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.456 5.349 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.680 3.914 -0.106 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.750 -0.457 1.618 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.132 -1.855 1.691 1.00 0.00 C ATOM 1122 C GLY A 77 -15.165 -2.678 2.518 1.00 0.00 C ATOM 1123 O GLY A 77 -14.527 -3.599 2.007 1.00 0.00 O ATOM 0 H GLY A 77 -16.312 0.172 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.131 -1.934 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.185 -2.267 0.683 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.054 -2.346 3.800 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.155 -3.060 4.700 1.00 0.00 C ATOM 1129 C LEU A 78 -14.887 -3.502 5.963 1.00 0.00 C ATOM 1130 O LEU A 78 -16.044 -3.140 6.182 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.963 -2.176 5.071 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.176 -1.586 3.900 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.093 -0.645 4.406 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.569 -2.694 3.053 1.00 0.00 C ATOM 0 H LEU A 78 -15.575 -1.587 4.239 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.793 -3.948 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.324 -1.355 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.279 -2.762 5.685 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.863 -1.015 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.543 -0.234 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.551 0.168 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.408 -1.193 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.013 -2.255 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.895 -3.293 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.363 -3.329 2.661 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.206 -4.285 6.793 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.789 -4.773 8.037 1.00 0.00 C ATOM 1148 C LYS A 79 -14.659 -3.733 9.144 1.00 0.00 C ATOM 1149 O LYS A 79 -13.861 -2.801 9.045 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.111 -6.077 8.464 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.448 -7.259 7.573 1.00 0.00 C ATOM 1152 CD LYS A 79 -15.802 -7.853 7.923 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.707 -8.798 9.110 1.00 0.00 C ATOM 1154 NZ LYS A 79 -16.098 -8.132 10.383 1.00 0.00 N ATOM 0 H LYS A 79 -13.249 -4.595 6.626 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.849 -4.961 7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.031 -5.931 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.403 -6.310 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.448 -6.942 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.677 -8.023 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.504 -7.051 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.199 -8.389 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.351 -9.661 8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.687 -9.173 9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.337 -8.245 11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.261 -7.120 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.970 -8.565 10.748 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.449 -3.898 10.200 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.421 -2.975 11.329 1.00 0.00 C ATOM 1170 C LYS A 80 -14.413 -3.431 12.379 1.00 0.00 C ATOM 1171 O LYS A 80 -14.276 -4.625 12.645 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.812 -2.862 11.956 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.736 -1.909 11.219 1.00 0.00 C ATOM 1174 CD LYS A 80 -19.187 -2.348 11.320 1.00 0.00 C ATOM 1175 CE LYS A 80 -20.091 -1.496 10.442 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.167 -0.089 10.925 1.00 0.00 N ATOM 0 H LYS A 80 -16.117 -4.663 10.298 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.116 -1.996 10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.270 -3.851 11.983 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.710 -2.529 12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.629 -0.906 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.443 -1.855 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.273 -3.394 11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.517 -2.281 12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.719 -1.509 9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -21.091 -1.928 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.806 0.455 10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.530 -0.076 11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.219 0.337 10.903 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.712 -2.472 12.974 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.716 -2.776 13.995 1.00 0.00 C ATOM 1192 C TYR A 81 -11.793 -3.901 13.539 1.00 0.00 C ATOM 1193 O TYR A 81 -11.512 -4.835 14.292 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.402 -3.163 15.307 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.485 -3.110 16.508 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -12.031 -1.895 17.007 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -12.074 -4.274 17.145 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -11.193 -1.842 18.104 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.237 -4.230 18.243 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.799 -3.012 18.719 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.965 -2.963 19.812 1.00 0.00 O ATOM 0 H TYR A 81 -13.815 -1.479 12.767 1.00 0.00 H new ATOM 0 HA TYR A 81 -12.115 -1.882 14.157 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.247 -2.496 15.476 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.806 -4.171 15.213 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.339 -0.977 16.529 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.415 -5.230 16.775 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.848 -0.889 18.478 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.927 -5.145 18.726 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.784 -3.873 20.127 1.00 0.00 H new ATOM 1211 N THR A 82 -11.323 -3.806 12.299 1.00 0.00 N ATOM 1212 CA THR A 82 -10.432 -4.815 11.740 1.00 0.00 C ATOM 1213 C THR A 82 -9.205 -4.173 11.104 1.00 0.00 C ATOM 1214 O THR A 82 -9.321 -3.219 10.335 1.00 0.00 O ATOM 1215 CB THR A 82 -11.151 -5.677 10.686 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.239 -6.385 11.291 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.188 -6.667 10.048 1.00 0.00 C ATOM 0 H THR A 82 -11.545 -3.040 11.663 1.00 0.00 H new ATOM 0 HA THR A 82 -10.118 -5.452 12.567 1.00 0.00 H new ATOM 0 HB THR A 82 -11.535 -5.016 9.909 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.861 -5.745 11.695 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.719 -7.265 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.377 -6.124 9.563 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.778 -7.322 10.816 1.00 0.00 H new ATOM 1225 N GLU A 83 -8.030 -4.703 11.429 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.781 -4.180 10.888 1.00 0.00 C ATOM 1227 C GLU A 83 -6.604 -4.594 9.429 1.00 0.00 C ATOM 1228 O GLU A 83 -7.060 -5.660 9.016 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.593 -4.674 11.717 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.396 -3.738 11.683 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.339 -4.107 12.705 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.711 -4.494 13.833 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.138 -4.010 12.376 1.00 0.00 O ATOM 0 H GLU A 83 -7.917 -5.493 12.064 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.822 -3.092 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.912 -4.805 12.751 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.288 -5.654 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.954 -3.755 10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.732 -2.717 11.866 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.939 -3.743 8.656 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.705 -4.018 7.243 1.00 0.00 C ATOM 1242 C TYR A 84 -4.353 -3.466 6.798 1.00 0.00 C ATOM 1243 O TYR A 84 -3.992 -2.337 7.129 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.821 -3.411 6.391 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.091 -4.232 6.383 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.284 -5.240 5.447 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.097 -4.000 7.313 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.443 -5.992 5.436 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.258 -4.748 7.310 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.427 -5.742 6.370 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.582 -6.490 6.363 1.00 0.00 O ATOM 0 H TYR A 84 -5.553 -2.858 8.983 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.700 -5.099 7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.047 -2.411 6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.465 -3.298 5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.515 -5.439 4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.969 -3.222 8.051 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.578 -6.771 4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.030 -4.555 8.041 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.597 -7.076 7.148 1.00 0.00 H new ATOM 1261 N SER A 85 -3.612 -4.272 6.045 1.00 0.00 N ATOM 1262 CA SER A 85 -2.299 -3.868 5.557 1.00 0.00 C ATOM 1263 C SER A 85 -2.424 -3.048 4.276 1.00 0.00 C ATOM 1264 O SER A 85 -3.374 -3.214 3.510 1.00 0.00 O ATOM 1265 CB SER A 85 -1.424 -5.097 5.305 1.00 0.00 C ATOM 1266 OG SER A 85 -0.056 -4.739 5.210 1.00 0.00 O ATOM 0 H SER A 85 -3.898 -5.208 5.760 1.00 0.00 H new ATOM 0 HA SER A 85 -1.830 -3.248 6.321 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.560 -5.816 6.113 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.739 -5.589 4.385 1.00 0.00 H new ATOM 0 HG SER A 85 0.462 -5.508 4.894 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.459 -2.163 4.051 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.461 -1.315 2.864 1.00 0.00 C ATOM 1274 C PHE A 86 -0.038 -1.048 2.385 1.00 0.00 C ATOM 1275 O PHE A 86 0.867 -0.823 3.188 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.170 0.008 3.157 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.632 -0.150 3.466 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.527 -0.516 2.474 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -4.110 0.067 4.748 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.872 -0.661 2.755 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.454 -0.078 5.036 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.336 -0.443 4.038 1.00 0.00 C ATOM 0 H PHE A 86 -0.666 -2.014 4.675 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.999 -1.839 2.074 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.679 0.495 4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.058 0.669 2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.169 -0.690 1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.424 0.353 5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.560 -0.945 1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.814 0.094 6.040 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.387 -0.558 4.260 1.00 0.00 H new ATOM 1292 N ARG A 87 0.152 -1.073 1.069 1.00 0.00 N ATOM 1293 CA ARG A 87 1.465 -0.835 0.482 1.00 0.00 C ATOM 1294 C ARG A 87 1.336 -0.225 -0.910 1.00 0.00 C ATOM 1295 O ARG A 87 0.505 -0.652 -1.712 1.00 0.00 O ATOM 1296 CB ARG A 87 2.258 -2.141 0.406 1.00 0.00 C ATOM 1297 CG ARG A 87 1.635 -3.179 -0.513 1.00 0.00 C ATOM 1298 CD ARG A 87 2.642 -4.249 -0.908 1.00 0.00 C ATOM 1299 NE ARG A 87 2.649 -5.367 0.031 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.658 -6.222 0.148 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.737 -6.087 -0.610 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.591 -7.215 1.026 1.00 0.00 N ATOM 0 H ARG A 87 -0.587 -1.256 0.390 1.00 0.00 H new ATOM 0 HA ARG A 87 1.998 -0.131 1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.269 -1.923 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.346 -2.561 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.785 -3.644 -0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.251 -2.690 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.408 -4.616 -1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.638 -3.809 -0.956 1.00 0.00 H new ATOM 0 HE ARG A 87 1.834 -5.498 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.794 -5.325 -1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.511 -6.745 -0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.763 -7.322 1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.367 -7.871 1.114 1.00 0.00 H new ATOM 1316 N VAL A 88 2.162 0.778 -1.191 1.00 0.00 N ATOM 1317 CA VAL A 88 2.140 1.447 -2.486 1.00 0.00 C ATOM 1318 C VAL A 88 3.301 0.988 -3.361 1.00 0.00 C ATOM 1319 O VAL A 88 4.431 0.851 -2.891 1.00 0.00 O ATOM 1320 CB VAL A 88 2.205 2.978 -2.328 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.237 3.655 -3.690 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.030 3.478 -1.502 1.00 0.00 C ATOM 0 H VAL A 88 2.855 1.145 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 88 1.199 1.178 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 88 3.125 3.233 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.283 4.736 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.115 3.319 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.337 3.395 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.092 4.561 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.097 3.213 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.058 3.019 -0.514 1.00 0.00 H new ATOM 1332 N VAL A 89 3.015 0.752 -4.637 1.00 0.00 N ATOM 1333 CA VAL A 89 4.036 0.309 -5.580 1.00 0.00 C ATOM 1334 C VAL A 89 4.109 1.238 -6.787 1.00 0.00 C ATOM 1335 O VAL A 89 3.085 1.614 -7.356 1.00 0.00 O ATOM 1336 CB VAL A 89 3.765 -1.127 -6.067 1.00 0.00 C ATOM 1337 CG1 VAL A 89 4.842 -1.571 -7.044 1.00 0.00 C ATOM 1338 CG2 VAL A 89 3.678 -2.082 -4.886 1.00 0.00 C ATOM 0 H VAL A 89 2.085 0.860 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 89 4.988 0.331 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 89 2.808 -1.141 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.634 -2.588 -7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.851 -0.902 -7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.814 -1.542 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.486 -3.092 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.619 -2.066 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.867 -1.773 -4.227 1.00 0.00 H new ATOM 1348 N ALA A 90 5.327 1.604 -7.172 1.00 0.00 N ATOM 1349 CA ALA A 90 5.534 2.487 -8.313 1.00 0.00 C ATOM 1350 C ALA A 90 5.673 1.690 -9.606 1.00 0.00 C ATOM 1351 O ALA A 90 6.313 0.639 -9.633 1.00 0.00 O ATOM 1352 CB ALA A 90 6.764 3.355 -8.092 1.00 0.00 C ATOM 0 H ALA A 90 6.185 1.303 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 90 4.660 3.131 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.907 4.010 -8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.627 3.959 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.641 2.719 -7.971 1.00 0.00 H new ATOM 1358 N TYR A 91 5.068 2.197 -10.675 1.00 0.00 N ATOM 1359 CA TYR A 91 5.122 1.530 -11.970 1.00 0.00 C ATOM 1360 C TYR A 91 5.539 2.504 -13.068 1.00 0.00 C ATOM 1361 O TYR A 91 4.791 3.415 -13.422 1.00 0.00 O ATOM 1362 CB TYR A 91 3.762 0.916 -12.308 1.00 0.00 C ATOM 1363 CG TYR A 91 3.539 -0.443 -11.685 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.065 -0.564 -10.384 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.802 -1.607 -12.397 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.861 -1.804 -9.811 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.600 -2.851 -11.832 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.130 -2.944 -10.538 1.00 0.00 C ATOM 1369 OH TYR A 91 2.927 -4.181 -9.971 1.00 0.00 O ATOM 0 H TYR A 91 4.535 3.067 -10.670 1.00 0.00 H new ATOM 0 HA TYR A 91 5.867 0.737 -11.910 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.975 1.592 -11.975 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.671 0.829 -13.391 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.853 0.327 -9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.171 -1.538 -13.410 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.493 -1.880 -8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.809 -3.746 -12.400 1.00 0.00 H new ATOM 0 HH TYR A 91 3.164 -4.879 -10.616 1.00 0.00 H new ATOM 1379 N ASN A 92 6.740 2.305 -13.602 1.00 0.00 N ATOM 1380 CA ASN A 92 7.258 3.165 -14.659 1.00 0.00 C ATOM 1381 C ASN A 92 7.627 2.347 -15.894 1.00 0.00 C ATOM 1382 O ASN A 92 7.809 1.132 -15.816 1.00 0.00 O ATOM 1383 CB ASN A 92 8.481 3.938 -14.162 1.00 0.00 C ATOM 1384 CG ASN A 92 9.623 3.022 -13.767 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.474 1.801 -13.743 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.772 3.611 -13.455 1.00 0.00 N ATOM 0 H ASN A 92 7.372 1.556 -13.320 1.00 0.00 H new ATOM 0 HA ASN A 92 6.476 3.873 -14.934 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.819 4.619 -14.943 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.197 4.550 -13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.577 3.047 -13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.850 4.627 -13.489 1.00 0.00 H new ATOM 1393 N LYS A 93 7.736 3.023 -17.033 1.00 0.00 N ATOM 1394 CA LYS A 93 8.085 2.361 -18.284 1.00 0.00 C ATOM 1395 C LYS A 93 9.053 1.208 -18.039 1.00 0.00 C ATOM 1396 O LYS A 93 8.865 0.106 -18.556 1.00 0.00 O ATOM 1397 CB LYS A 93 8.707 3.364 -19.259 1.00 0.00 C ATOM 1398 CG LYS A 93 10.024 3.945 -18.776 1.00 0.00 C ATOM 1399 CD LYS A 93 10.510 5.060 -19.687 1.00 0.00 C ATOM 1400 CE LYS A 93 11.291 4.511 -20.871 1.00 0.00 C ATOM 1401 NZ LYS A 93 12.279 5.497 -21.389 1.00 0.00 N ATOM 0 H LYS A 93 7.588 4.029 -17.115 1.00 0.00 H new ATOM 0 HA LYS A 93 7.171 1.958 -18.720 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.866 2.873 -20.219 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.002 4.177 -19.430 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.904 4.328 -17.763 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.776 3.157 -18.731 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.657 5.635 -20.047 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.140 5.746 -19.120 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.810 3.600 -20.573 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.599 4.238 -21.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.791 5.085 -22.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.782 6.357 -21.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.955 5.739 -20.637 1.00 0.00 H new ATOM 1415 N HIS A 94 10.087 1.468 -17.246 1.00 0.00 N ATOM 1416 CA HIS A 94 11.084 0.450 -16.931 1.00 0.00 C ATOM 1417 C HIS A 94 10.430 -0.768 -16.285 1.00 0.00 C ATOM 1418 O HIS A 94 10.429 -1.859 -16.855 1.00 0.00 O ATOM 1419 CB HIS A 94 12.152 1.024 -15.999 1.00 0.00 C ATOM 1420 CG HIS A 94 12.613 2.395 -16.388 1.00 0.00 C ATOM 1421 ND1 HIS A 94 12.834 2.772 -17.696 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.892 3.482 -15.633 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.231 4.031 -17.728 1.00 0.00 C ATOM 1424 NE2 HIS A 94 13.275 4.486 -16.489 1.00 0.00 N ATOM 0 H HIS A 94 10.257 2.374 -16.810 1.00 0.00 H new ATOM 0 HA HIS A 94 11.555 0.137 -17.863 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.757 1.057 -14.984 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.010 0.352 -15.985 1.00 0.00 H new ATOM 0 HD2 HIS A 94 12.826 3.548 -14.557 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.478 4.593 -18.617 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.549 5.429 -16.213 1.00 0.00 H new ATOM 1433 N GLY A 95 9.875 -0.574 -15.093 1.00 0.00 N ATOM 1434 CA GLY A 95 9.227 -1.666 -14.390 1.00 0.00 C ATOM 1435 C GLY A 95 8.903 -1.317 -12.951 1.00 0.00 C ATOM 1436 O GLY A 95 9.245 -0.242 -12.458 1.00 0.00 O ATOM 0 H GLY A 95 9.862 0.320 -14.601 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.308 -1.935 -14.911 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.874 -2.543 -14.411 1.00 0.00 H new ATOM 1440 N PRO A 96 8.225 -2.241 -12.252 1.00 0.00 N ATOM 1441 CA PRO A 96 7.838 -2.047 -10.852 1.00 0.00 C ATOM 1442 C PRO A 96 9.037 -2.074 -9.910 1.00 0.00 C ATOM 1443 O PRO A 96 9.634 -3.124 -9.679 1.00 0.00 O ATOM 1444 CB PRO A 96 6.913 -3.234 -10.572 1.00 0.00 C ATOM 1445 CG PRO A 96 7.335 -4.281 -11.545 1.00 0.00 C ATOM 1446 CD PRO A 96 7.785 -3.544 -12.776 1.00 0.00 C ATOM 0 HA PRO A 96 7.370 -1.076 -10.690 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.017 -3.583 -9.545 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.867 -2.962 -10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.142 -4.890 -11.138 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.511 -4.956 -11.774 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.595 -4.067 -13.284 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.975 -3.434 -13.497 1.00 0.00 H new ATOM 1454 N GLY A 97 9.385 -0.910 -9.369 1.00 0.00 N ATOM 1455 CA GLY A 97 10.512 -0.823 -8.458 1.00 0.00 C ATOM 1456 C GLY A 97 10.208 -1.424 -7.101 1.00 0.00 C ATOM 1457 O GLY A 97 9.237 -2.166 -6.945 1.00 0.00 O ATOM 0 H GLY A 97 8.907 -0.026 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.369 -1.335 -8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.795 0.222 -8.334 1.00 0.00 H new ATOM 1461 N VAL A 98 11.040 -1.106 -6.114 1.00 0.00 N ATOM 1462 CA VAL A 98 10.856 -1.621 -4.762 1.00 0.00 C ATOM 1463 C VAL A 98 9.415 -1.442 -4.298 1.00 0.00 C ATOM 1464 O VAL A 98 8.583 -0.891 -5.019 1.00 0.00 O ATOM 1465 CB VAL A 98 11.796 -0.921 -3.763 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.242 -1.311 -4.027 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.621 0.588 -3.834 1.00 0.00 C ATOM 0 H VAL A 98 11.848 -0.494 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 98 11.096 -2.684 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 98 11.535 -1.247 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.891 -0.807 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.353 -2.390 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.519 -1.016 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.293 1.066 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.854 0.934 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.590 0.847 -3.591 1.00 0.00 H new ATOM 1477 N SER A 99 9.126 -1.913 -3.089 1.00 0.00 N ATOM 1478 CA SER A 99 7.784 -1.809 -2.529 1.00 0.00 C ATOM 1479 C SER A 99 7.828 -1.245 -1.112 1.00 0.00 C ATOM 1480 O SER A 99 8.611 -1.696 -0.275 1.00 0.00 O ATOM 1481 CB SER A 99 7.103 -3.179 -2.523 1.00 0.00 C ATOM 1482 OG SER A 99 5.920 -3.158 -1.742 1.00 0.00 O ATOM 0 H SER A 99 9.803 -2.370 -2.479 1.00 0.00 H new ATOM 0 HA SER A 99 7.208 -1.127 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.863 -3.473 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.790 -3.928 -2.128 1.00 0.00 H new ATOM 0 HG SER A 99 6.057 -3.685 -0.927 1.00 0.00 H new ATOM 1488 N THR A 100 6.983 -0.253 -0.850 1.00 0.00 N ATOM 1489 CA THR A 100 6.925 0.375 0.464 1.00 0.00 C ATOM 1490 C THR A 100 6.615 -0.649 1.550 1.00 0.00 C ATOM 1491 O THR A 100 6.026 -1.700 1.296 1.00 0.00 O ATOM 1492 CB THR A 100 5.864 1.490 0.508 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.651 1.037 -0.105 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.361 2.739 -0.204 1.00 0.00 C ATOM 0 H THR A 100 6.329 0.133 -1.531 1.00 0.00 H new ATOM 0 HA THR A 100 7.907 0.811 0.649 1.00 0.00 H new ATOM 0 HB THR A 100 5.673 1.738 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.716 1.143 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.594 3.512 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.268 3.099 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.578 2.502 -1.246 1.00 0.00 H new ATOM 1502 N PRO A 101 7.020 -0.338 2.790 1.00 0.00 N ATOM 1503 CA PRO A 101 6.795 -1.218 3.941 1.00 0.00 C ATOM 1504 C PRO A 101 5.323 -1.293 4.334 1.00 0.00 C ATOM 1505 O PRO A 101 4.660 -0.268 4.491 1.00 0.00 O ATOM 1506 CB PRO A 101 7.613 -0.562 5.055 1.00 0.00 C ATOM 1507 CG PRO A 101 7.696 0.874 4.669 1.00 0.00 C ATOM 1508 CD PRO A 101 7.728 0.898 3.166 1.00 0.00 C ATOM 0 HA PRO A 101 7.086 -2.247 3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.130 -0.684 6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.604 -1.009 5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.840 1.431 5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.589 1.339 5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.231 1.783 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.750 0.908 2.786 1.00 0.00 H new ATOM 1516 N ASP A 102 4.819 -2.512 4.491 1.00 0.00 N ATOM 1517 CA ASP A 102 3.426 -2.721 4.868 1.00 0.00 C ATOM 1518 C ASP A 102 2.974 -1.673 5.880 1.00 0.00 C ATOM 1519 O ASP A 102 3.756 -1.227 6.719 1.00 0.00 O ATOM 1520 CB ASP A 102 3.237 -4.124 5.448 1.00 0.00 C ATOM 1521 CG ASP A 102 3.919 -4.291 6.791 1.00 0.00 C ATOM 1522 OD1 ASP A 102 5.122 -4.626 6.808 1.00 0.00 O ATOM 1523 OD2 ASP A 102 3.250 -4.089 7.826 1.00 0.00 O ATOM 0 H ASP A 102 5.354 -3.371 4.363 1.00 0.00 H new ATOM 0 HA ASP A 102 2.814 -2.622 3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.172 -4.329 5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.633 -4.860 4.748 1.00 0.00 H new ATOM 1528 N VAL A 103 1.706 -1.283 5.794 1.00 0.00 N ATOM 1529 CA VAL A 103 1.149 -0.287 6.702 1.00 0.00 C ATOM 1530 C VAL A 103 -0.182 -0.754 7.280 1.00 0.00 C ATOM 1531 O VAL A 103 -1.247 -0.327 6.836 1.00 0.00 O ATOM 1532 CB VAL A 103 0.943 1.065 5.994 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.241 2.049 6.917 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.274 1.625 5.517 1.00 0.00 C ATOM 0 H VAL A 103 1.045 -1.642 5.105 1.00 0.00 H new ATOM 0 HA VAL A 103 1.868 -0.159 7.511 1.00 0.00 H new ATOM 0 HB VAL A 103 0.309 0.906 5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.104 2.999 6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.731 1.648 7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.847 2.206 7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.109 2.581 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.935 1.770 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.733 0.926 4.818 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.113 -1.634 8.274 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.312 -2.157 8.915 1.00 0.00 C ATOM 1546 C ALA A 104 -1.985 -1.092 9.774 1.00 0.00 C ATOM 1547 O ALA A 104 -1.343 -0.459 10.612 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.971 -3.378 9.757 1.00 0.00 C ATOM 0 H ALA A 104 0.761 -1.999 8.652 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.012 -2.452 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.876 -3.758 10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.542 -4.151 9.120 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.250 -3.100 10.525 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.283 -0.898 9.559 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.043 0.091 10.314 1.00 0.00 C ATOM 1556 C VAL A 105 -5.384 -0.475 10.767 1.00 0.00 C ATOM 1557 O VAL A 105 -6.006 -1.267 10.058 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.290 1.364 9.482 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.213 1.066 8.311 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.864 2.469 10.356 1.00 0.00 C ATOM 0 H VAL A 105 -3.829 -1.413 8.868 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.446 0.348 11.189 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.335 1.707 9.083 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.376 1.977 7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.758 0.309 7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.168 0.698 8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.032 3.361 9.752 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.809 2.139 10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.162 2.701 11.157 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.824 -0.063 11.951 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.092 -0.530 12.499 1.00 0.00 C ATOM 1572 C ARG A 106 -8.219 0.443 12.166 1.00 0.00 C ATOM 1573 O ARG A 106 -8.104 1.647 12.398 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.984 -0.702 14.015 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.137 -1.483 14.623 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.246 -1.241 16.121 1.00 0.00 C ATOM 1577 NE ARG A 106 -7.074 -1.732 16.841 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.801 -3.022 17.008 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.611 -3.944 16.508 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.715 -3.390 17.675 1.00 0.00 N ATOM 0 H ARG A 106 -5.322 0.593 12.549 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.322 -1.494 12.046 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.049 -1.211 14.249 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.937 0.282 14.481 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.069 -1.194 14.138 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.996 -2.547 14.435 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.366 -0.174 16.308 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.140 -1.734 16.504 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.430 -1.048 17.237 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.446 -3.664 15.994 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.399 -4.933 16.638 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.089 -2.683 18.060 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.506 -4.380 17.803 1.00 0.00 H new ATOM 1594 N THR A 107 -9.310 -0.086 11.621 1.00 0.00 N ATOM 1595 CA THR A 107 -10.457 0.734 11.255 1.00 0.00 C ATOM 1596 C THR A 107 -11.210 1.210 12.492 1.00 0.00 C ATOM 1597 O THR A 107 -11.061 0.647 13.577 1.00 0.00 O ATOM 1598 CB THR A 107 -11.430 -0.035 10.341 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.760 -1.298 10.930 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.819 -0.255 8.965 1.00 0.00 C ATOM 0 H THR A 107 -9.423 -1.080 11.423 1.00 0.00 H new ATOM 0 HA THR A 107 -10.068 1.597 10.715 1.00 0.00 H new ATOM 0 HB THR A 107 -12.336 0.560 10.228 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.393 -1.773 10.352 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.524 -0.800 8.337 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.595 0.709 8.508 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.899 -0.832 9.063 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.019 2.251 12.323 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.796 2.803 13.427 1.00 0.00 C ATOM 1610 C LEU A 108 -13.796 1.779 13.954 1.00 0.00 C ATOM 1611 O LEU A 108 -14.242 0.897 13.220 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.532 4.066 12.976 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.660 5.178 12.392 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.526 6.278 11.796 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.734 5.745 13.458 1.00 0.00 C ATOM 0 H LEU A 108 -12.154 2.729 11.432 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.107 3.059 14.232 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.274 3.783 12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.077 4.469 13.830 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.048 4.754 11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.888 7.061 11.385 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.147 5.862 11.003 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.164 6.700 12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.121 6.535 13.025 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.328 6.154 14.276 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.089 4.953 13.838 1.00 0.00 H new ATOM 1627 N SER A 109 -14.146 1.904 15.230 1.00 0.00 N ATOM 1628 CA SER A 109 -15.093 0.988 15.856 1.00 0.00 C ATOM 1629 C SER A 109 -16.483 1.612 15.931 1.00 0.00 C ATOM 1630 O SER A 109 -16.661 2.695 16.488 1.00 0.00 O ATOM 1631 CB SER A 109 -14.616 0.609 17.260 1.00 0.00 C ATOM 1632 OG SER A 109 -15.006 1.583 18.211 1.00 0.00 O ATOM 0 H SER A 109 -13.788 2.630 15.851 1.00 0.00 H new ATOM 0 HA SER A 109 -15.150 0.088 15.243 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.028 -0.361 17.538 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.531 0.507 17.264 1.00 0.00 H new ATOM 0 HG SER A 109 -15.403 2.351 17.749 1.00 0.00 H new ATOM 1638 N ASP A 110 -17.466 0.919 15.365 1.00 0.00 N ATOM 1639 CA ASP A 110 -18.842 1.403 15.368 1.00 0.00 C ATOM 1640 C ASP A 110 -19.492 1.186 16.730 1.00 0.00 C ATOM 1641 O ASP A 110 -20.042 2.115 17.322 1.00 0.00 O ATOM 1642 CB ASP A 110 -19.655 0.696 14.282 1.00 0.00 C ATOM 1643 CG ASP A 110 -21.140 0.677 14.591 1.00 0.00 C ATOM 1644 OD1 ASP A 110 -21.624 1.631 15.235 1.00 0.00 O ATOM 1645 OD2 ASP A 110 -21.817 -0.291 14.188 1.00 0.00 O ATOM 0 H ASP A 110 -17.335 0.021 14.899 1.00 0.00 H new ATOM 0 HA ASP A 110 -18.826 2.473 15.161 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -19.492 1.195 13.327 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -19.296 -0.327 14.172 1.00 0.00 H new ATOM 1650 N SER A 111 -19.426 -0.047 17.222 1.00 0.00 N ATOM 1651 CA SER A 111 -20.012 -0.388 18.513 1.00 0.00 C ATOM 1652 C SER A 111 -19.380 0.435 19.631 1.00 0.00 C ATOM 1653 O SER A 111 -20.058 1.204 20.311 1.00 0.00 O ATOM 1654 CB SER A 111 -19.834 -1.880 18.800 1.00 0.00 C ATOM 1655 OG SER A 111 -20.638 -2.288 19.894 1.00 0.00 O ATOM 0 H SER A 111 -18.972 -0.827 16.746 1.00 0.00 H new ATOM 0 HA SER A 111 -21.077 -0.157 18.473 1.00 0.00 H new ATOM 0 HB2 SER A 111 -20.099 -2.458 17.915 1.00 0.00 H new ATOM 0 HB3 SER A 111 -18.786 -2.090 19.016 1.00 0.00 H new ATOM 0 HG SER A 111 -20.508 -3.246 20.056 1.00 0.00 H new ATOM 1661 N GLY A 112 -18.074 0.268 19.816 1.00 0.00 N ATOM 1662 CA GLY A 112 -17.371 1.001 20.852 1.00 0.00 C ATOM 1663 C GLY A 112 -15.982 0.450 21.111 1.00 0.00 C ATOM 1664 O GLY A 112 -15.516 -0.464 20.431 1.00 0.00 O ATOM 0 H GLY A 112 -17.490 -0.362 19.266 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -17.295 2.049 20.563 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -17.950 0.966 21.775 1.00 0.00 H new ATOM 1668 N PRO A 113 -15.297 1.014 22.117 1.00 0.00 N ATOM 1669 CA PRO A 113 -13.943 0.590 22.487 1.00 0.00 C ATOM 1670 C PRO A 113 -13.922 -0.797 23.120 1.00 0.00 C ATOM 1671 O PRO A 113 -12.893 -1.473 23.125 1.00 0.00 O ATOM 1672 CB PRO A 113 -13.505 1.648 23.503 1.00 0.00 C ATOM 1673 CG PRO A 113 -14.777 2.168 24.080 1.00 0.00 C ATOM 1674 CD PRO A 113 -15.790 2.108 22.970 1.00 0.00 C ATOM 0 HA PRO A 113 -13.288 0.516 21.619 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -12.868 1.216 24.275 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -12.933 2.443 23.025 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.094 1.566 24.931 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.653 3.189 24.441 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -16.791 1.902 23.350 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.844 3.050 22.424 1.00 0.00 H new ATOM 1682 N SER A 114 -15.066 -1.216 23.653 1.00 0.00 N ATOM 1683 CA SER A 114 -15.178 -2.522 24.292 1.00 0.00 C ATOM 1684 C SER A 114 -15.509 -3.602 23.267 1.00 0.00 C ATOM 1685 O SER A 114 -16.639 -3.694 22.789 1.00 0.00 O ATOM 1686 CB SER A 114 -16.252 -2.490 25.381 1.00 0.00 C ATOM 1687 OG SER A 114 -17.514 -2.134 24.843 1.00 0.00 O ATOM 0 H SER A 114 -15.928 -0.670 23.655 1.00 0.00 H new ATOM 0 HA SER A 114 -14.216 -2.760 24.747 1.00 0.00 H new ATOM 0 HB2 SER A 114 -16.319 -3.468 25.858 1.00 0.00 H new ATOM 0 HB3 SER A 114 -15.969 -1.776 26.155 1.00 0.00 H new ATOM 0 HG SER A 114 -17.617 -2.538 23.956 1.00 0.00 H new ATOM 1693 N SER A 115 -14.514 -4.417 22.933 1.00 0.00 N ATOM 1694 CA SER A 115 -14.697 -5.489 21.962 1.00 0.00 C ATOM 1695 C SER A 115 -14.203 -6.820 22.522 1.00 0.00 C ATOM 1696 O SER A 115 -13.018 -7.139 22.442 1.00 0.00 O ATOM 1697 CB SER A 115 -13.954 -5.162 20.664 1.00 0.00 C ATOM 1698 OG SER A 115 -14.498 -5.882 19.571 1.00 0.00 O ATOM 0 H SER A 115 -13.573 -4.355 23.321 1.00 0.00 H new ATOM 0 HA SER A 115 -15.763 -5.577 21.751 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.015 -4.092 20.466 1.00 0.00 H new ATOM 0 HB3 SER A 115 -12.897 -5.406 20.775 1.00 0.00 H new ATOM 0 HG SER A 115 -14.008 -5.655 18.753 1.00 0.00 H new ATOM 1704 N GLY A 116 -15.124 -7.594 23.089 1.00 0.00 N ATOM 1705 CA GLY A 116 -14.765 -8.881 23.655 1.00 0.00 C ATOM 1706 C GLY A 116 -15.957 -9.808 23.790 1.00 0.00 C ATOM 1707 O GLY A 116 -16.109 -10.751 23.014 1.00 0.00 O ATOM 0 H GLY A 116 -16.112 -7.352 23.166 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.011 -9.353 23.026 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.313 -8.730 24.635 1.00 0.00 H new TER 1711 GLY A 116