USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 GLN : amide:sc= -3.13! C(o=-3!,f=-7.9!) USER MOD Set 1.2: A 88 TYR OH : rot 82:sc= 0.13 USER MOD Set 2.1: A 51 MET CE :methyl 137:sc= -0.644 (180deg=-0.913) USER MOD Set 2.2: A 66 ASN : amide:sc= -3.33! C(o=-4!,f=-7!) USER MOD Set 3.1: A 22 HIS : no HE2:sc= -0.355 K(o=0.4,f=-2.1) USER MOD Set 3.2: A 37 THR OG1 : rot -104:sc= 0.755 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0125 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 45:sc= 0.83 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.25) USER MOD Single : A 11 GLN : amide:sc= -0.0516 K(o=-0.052,f=-1.5!) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= -0.0155 (180deg=-0.167) USER MOD Single : A 23 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -32:sc= 0.365 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 46 GLN : amide:sc= -0.0708 K(o=-0.071,f=-1.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -64:sc= -0.415 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.027 X(o=-0.027,f=-0.027) USER MOD Single : A 61 THR OG1 : rot -50:sc= 0.508 USER MOD Single : A 62 SER OG : rot -105:sc= 1.05 USER MOD Single : A 63 SER OG : rot 31:sc= 0.699 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -7.34! C(o=-7.3!,f=-4.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.194 K(o=-0.19,f=-2!) USER MOD Single : A 100 GLN : amide:sc= -6.02! C(o=-6!,f=-4.6!) USER MOD Single : A 102 MET CE :methyl -135:sc= -1.8 (180deg=-4.48!) USER MOD Single : A 104 SER OG : rot 93:sc= 0.0246 USER MOD Single : A 106 SER OG : rot 37:sc= 0.305 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00562 USER MOD Single : A 111 THR OG1 : rot -179:sc= 1.11 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 115 SER OG : rot 37:sc= 0.552 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.584 33.316 13.020 1.00 0.00 N ATOM 2 CA GLY A 1 -13.701 32.609 13.618 1.00 0.00 C ATOM 3 C GLY A 1 -14.083 31.365 12.839 1.00 0.00 C ATOM 4 O GLY A 1 -14.044 31.359 11.609 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.797 34.333 12.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.729 33.161 13.592 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.424 32.961 12.056 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.445 32.330 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.561 33.276 13.676 1.00 0.00 H new ATOM 8 N SER A 2 -14.452 30.310 13.557 1.00 0.00 N ATOM 9 CA SER A 2 -14.838 29.053 12.926 1.00 0.00 C ATOM 10 C SER A 2 -15.646 28.187 13.888 1.00 0.00 C ATOM 11 O SER A 2 -15.246 27.972 15.032 1.00 0.00 O ATOM 12 CB SER A 2 -13.596 28.292 12.456 1.00 0.00 C ATOM 13 OG SER A 2 -13.925 26.968 12.072 1.00 0.00 O ATOM 0 H SER A 2 -14.492 30.300 14.576 1.00 0.00 H new ATOM 0 HA SER A 2 -15.462 29.285 12.063 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.141 28.816 11.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.855 28.269 13.255 1.00 0.00 H new ATOM 0 HG SER A 2 -13.115 26.503 11.774 1.00 0.00 H new ATOM 19 N SER A 3 -16.785 27.692 13.414 1.00 0.00 N ATOM 20 CA SER A 3 -17.652 26.853 14.232 1.00 0.00 C ATOM 21 C SER A 3 -17.184 25.401 14.207 1.00 0.00 C ATOM 22 O SER A 3 -17.072 24.755 15.248 1.00 0.00 O ATOM 23 CB SER A 3 -19.098 26.943 13.739 1.00 0.00 C ATOM 24 OG SER A 3 -19.517 28.293 13.634 1.00 0.00 O ATOM 0 H SER A 3 -17.128 27.858 12.468 1.00 0.00 H new ATOM 0 HA SER A 3 -17.603 27.215 15.259 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.186 26.455 12.768 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.754 26.408 14.426 1.00 0.00 H new ATOM 0 HG SER A 3 -20.443 28.324 13.316 1.00 0.00 H new ATOM 30 N GLY A 4 -16.912 24.894 13.008 1.00 0.00 N ATOM 31 CA GLY A 4 -16.459 23.523 12.868 1.00 0.00 C ATOM 32 C GLY A 4 -17.609 22.541 12.762 1.00 0.00 C ATOM 33 O GLY A 4 -17.736 21.632 13.583 1.00 0.00 O ATOM 0 H GLY A 4 -16.997 25.409 12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.831 23.440 11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.838 23.259 13.724 1.00 0.00 H new ATOM 37 N SER A 5 -18.451 22.724 11.750 1.00 0.00 N ATOM 38 CA SER A 5 -19.600 21.850 11.543 1.00 0.00 C ATOM 39 C SER A 5 -19.257 20.722 10.575 1.00 0.00 C ATOM 40 O SER A 5 -19.481 20.834 9.370 1.00 0.00 O ATOM 41 CB SER A 5 -20.788 22.652 11.009 1.00 0.00 C ATOM 42 OG SER A 5 -20.469 23.278 9.778 1.00 0.00 O ATOM 0 H SER A 5 -18.359 23.470 11.060 1.00 0.00 H new ATOM 0 HA SER A 5 -19.869 21.411 12.504 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.645 21.992 10.874 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.079 23.407 11.740 1.00 0.00 H new ATOM 0 HG SER A 5 -20.006 22.639 9.197 1.00 0.00 H new ATOM 48 N SER A 6 -18.712 19.635 11.112 1.00 0.00 N ATOM 49 CA SER A 6 -18.334 18.487 10.297 1.00 0.00 C ATOM 50 C SER A 6 -18.830 17.188 10.924 1.00 0.00 C ATOM 51 O SER A 6 -19.231 17.161 12.087 1.00 0.00 O ATOM 52 CB SER A 6 -16.815 18.436 10.123 1.00 0.00 C ATOM 53 OG SER A 6 -16.187 17.908 11.279 1.00 0.00 O ATOM 0 H SER A 6 -18.522 19.526 12.108 1.00 0.00 H new ATOM 0 HA SER A 6 -18.801 18.598 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.565 17.823 9.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.435 19.438 9.924 1.00 0.00 H new ATOM 0 HG SER A 6 -15.217 17.884 11.142 1.00 0.00 H new ATOM 59 N GLY A 7 -18.798 16.111 10.145 1.00 0.00 N ATOM 60 CA GLY A 7 -19.247 14.823 10.640 1.00 0.00 C ATOM 61 C GLY A 7 -20.547 14.377 10.001 1.00 0.00 C ATOM 62 O GLY A 7 -20.744 13.189 9.745 1.00 0.00 O ATOM 0 H GLY A 7 -18.469 16.108 9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.477 14.076 10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.377 14.878 11.721 1.00 0.00 H new ATOM 66 N ARG A 8 -21.436 15.330 9.745 1.00 0.00 N ATOM 67 CA ARG A 8 -22.725 15.028 9.135 1.00 0.00 C ATOM 68 C ARG A 8 -22.562 14.698 7.654 1.00 0.00 C ATOM 69 O ARG A 8 -23.314 13.895 7.102 1.00 0.00 O ATOM 70 CB ARG A 8 -23.682 16.210 9.302 1.00 0.00 C ATOM 71 CG ARG A 8 -23.203 17.482 8.622 1.00 0.00 C ATOM 72 CD ARG A 8 -23.708 17.572 7.190 1.00 0.00 C ATOM 73 NE ARG A 8 -25.166 17.567 7.122 1.00 0.00 N ATOM 74 CZ ARG A 8 -25.855 18.025 6.083 1.00 0.00 C ATOM 75 NH1 ARG A 8 -25.221 18.520 5.029 1.00 0.00 N ATOM 76 NH2 ARG A 8 -27.182 17.987 6.096 1.00 0.00 N ATOM 0 H ARG A 8 -21.288 16.318 9.950 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.142 14.157 9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.657 15.937 8.898 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -23.821 16.407 10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -23.547 18.349 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -22.113 17.511 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.327 18.483 6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -23.316 16.734 6.614 1.00 0.00 H new ATOM 0 HE ARG A 8 -25.684 17.191 7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -24.202 18.550 5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -25.753 18.871 4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.673 17.606 6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.710 18.339 5.298 1.00 0.00 H new ATOM 90 N GLN A 9 -21.576 15.322 7.019 1.00 0.00 N ATOM 91 CA GLN A 9 -21.315 15.094 5.603 1.00 0.00 C ATOM 92 C GLN A 9 -20.461 13.847 5.400 1.00 0.00 C ATOM 93 O GLN A 9 -19.855 13.662 4.345 1.00 0.00 O ATOM 94 CB GLN A 9 -20.617 16.310 4.989 1.00 0.00 C ATOM 95 CG GLN A 9 -20.543 16.267 3.472 1.00 0.00 C ATOM 96 CD GLN A 9 -20.150 17.601 2.869 1.00 0.00 C ATOM 97 OE1 GLN A 9 -19.398 18.369 3.469 1.00 0.00 O ATOM 98 NE2 GLN A 9 -20.659 17.884 1.675 1.00 0.00 N ATOM 0 H GLN A 9 -20.945 15.989 7.462 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.272 14.942 5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.145 17.214 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.607 16.380 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.821 15.509 3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.511 15.963 3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -21.278 17.218 1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.430 18.768 1.220 1.00 0.00 H new ATOM 107 N VAL A 10 -20.418 12.993 6.418 1.00 0.00 N ATOM 108 CA VAL A 10 -19.639 11.763 6.351 1.00 0.00 C ATOM 109 C VAL A 10 -20.208 10.808 5.307 1.00 0.00 C ATOM 110 O VAL A 10 -19.488 10.329 4.432 1.00 0.00 O ATOM 111 CB VAL A 10 -19.598 11.049 7.715 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.003 10.684 8.169 1.00 0.00 C ATOM 113 CG2 VAL A 10 -18.714 9.814 7.644 1.00 0.00 C ATOM 0 H VAL A 10 -20.914 13.131 7.299 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.625 12.046 6.067 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.170 11.731 8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -20.954 10.180 9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.602 11.590 8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.461 10.020 7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.697 9.322 8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.109 9.126 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.701 10.107 7.368 1.00 0.00 H new ATOM 123 N GLN A 11 -21.506 10.536 5.407 1.00 0.00 N ATOM 124 CA GLN A 11 -22.172 9.638 4.471 1.00 0.00 C ATOM 125 C GLN A 11 -22.154 10.213 3.059 1.00 0.00 C ATOM 126 O GLN A 11 -22.536 9.543 2.099 1.00 0.00 O ATOM 127 CB GLN A 11 -23.614 9.385 4.913 1.00 0.00 C ATOM 128 CG GLN A 11 -23.753 8.244 5.909 1.00 0.00 C ATOM 129 CD GLN A 11 -25.176 7.730 6.011 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.954 7.828 5.062 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.524 7.178 7.168 1.00 0.00 N ATOM 0 H GLN A 11 -22.116 10.924 6.126 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.630 8.692 4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.014 10.296 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.221 9.166 4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -23.095 7.426 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.421 8.581 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.847 7.117 7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.468 6.815 7.296 1.00 0.00 H new ATOM 140 N LYS A 12 -21.709 11.459 2.938 1.00 0.00 N ATOM 141 CA LYS A 12 -21.640 12.126 1.643 1.00 0.00 C ATOM 142 C LYS A 12 -20.228 12.057 1.070 1.00 0.00 C ATOM 143 O LYS A 12 -20.032 11.646 -0.073 1.00 0.00 O ATOM 144 CB LYS A 12 -22.078 13.586 1.774 1.00 0.00 C ATOM 145 CG LYS A 12 -22.054 14.349 0.460 1.00 0.00 C ATOM 146 CD LYS A 12 -23.350 14.171 -0.312 1.00 0.00 C ATOM 147 CE LYS A 12 -23.340 14.966 -1.608 1.00 0.00 C ATOM 148 NZ LYS A 12 -22.284 14.489 -2.544 1.00 0.00 N ATOM 0 H LYS A 12 -21.390 12.028 3.722 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.316 11.610 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.087 13.618 2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.427 14.089 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.889 15.408 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.217 14.003 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -23.501 13.114 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -24.189 14.490 0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.315 14.887 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -23.179 16.021 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -22.426 14.923 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.348 14.756 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.339 13.454 -2.631 1.00 0.00 H new ATOM 162 N GLU A 13 -19.248 12.461 1.873 1.00 0.00 N ATOM 163 CA GLU A 13 -17.855 12.444 1.444 1.00 0.00 C ATOM 164 C GLU A 13 -17.328 11.014 1.363 1.00 0.00 C ATOM 165 O GLU A 13 -16.729 10.617 0.363 1.00 0.00 O ATOM 166 CB GLU A 13 -16.992 13.264 2.406 1.00 0.00 C ATOM 167 CG GLU A 13 -15.506 12.971 2.291 1.00 0.00 C ATOM 168 CD GLU A 13 -14.913 13.465 0.985 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.367 13.006 -0.084 1.00 0.00 O ATOM 170 OE2 GLU A 13 -13.996 14.311 1.033 1.00 0.00 O ATOM 0 H GLU A 13 -19.393 12.803 2.823 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.802 12.889 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.160 14.324 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.315 13.067 3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.982 13.439 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.344 11.896 2.376 1.00 0.00 H new ATOM 177 N LEU A 14 -17.554 10.246 2.422 1.00 0.00 N ATOM 178 CA LEU A 14 -17.103 8.860 2.473 1.00 0.00 C ATOM 179 C LEU A 14 -17.126 8.228 1.084 1.00 0.00 C ATOM 180 O LEU A 14 -16.083 8.042 0.459 1.00 0.00 O ATOM 181 CB LEU A 14 -17.981 8.051 3.428 1.00 0.00 C ATOM 182 CG LEU A 14 -17.810 6.532 3.375 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.626 6.099 4.226 1.00 0.00 C ATOM 184 CD2 LEU A 14 -19.082 5.835 3.833 1.00 0.00 C ATOM 0 H LEU A 14 -18.047 10.560 3.258 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.076 8.852 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.778 8.384 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.024 8.286 3.218 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.614 6.243 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.519 5.015 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.717 6.571 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.792 6.400 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.941 4.755 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.309 6.129 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.908 6.120 3.182 1.00 0.00 H new ATOM 196 N GLY A 15 -18.324 7.904 0.608 1.00 0.00 N ATOM 197 CA GLY A 15 -18.461 7.299 -0.705 1.00 0.00 C ATOM 198 C GLY A 15 -17.769 8.102 -1.788 1.00 0.00 C ATOM 199 O GLY A 15 -17.126 7.538 -2.673 1.00 0.00 O ATOM 0 H GLY A 15 -19.202 8.049 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.046 6.291 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.519 7.202 -0.949 1.00 0.00 H new ATOM 203 N ASP A 16 -17.903 9.422 -1.720 1.00 0.00 N ATOM 204 CA ASP A 16 -17.286 10.305 -2.704 1.00 0.00 C ATOM 205 C ASP A 16 -15.799 9.998 -2.852 1.00 0.00 C ATOM 206 O ASP A 16 -15.329 9.655 -3.937 1.00 0.00 O ATOM 207 CB ASP A 16 -17.480 11.767 -2.301 1.00 0.00 C ATOM 208 CG ASP A 16 -17.143 12.727 -3.425 1.00 0.00 C ATOM 209 OD1 ASP A 16 -16.004 12.667 -3.934 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.017 13.539 -3.795 1.00 0.00 O ATOM 0 H ASP A 16 -18.433 9.904 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.771 10.134 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.514 11.922 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.853 11.989 -1.437 1.00 0.00 H new ATOM 215 N VAL A 17 -15.061 10.125 -1.753 1.00 0.00 N ATOM 216 CA VAL A 17 -13.627 9.862 -1.760 1.00 0.00 C ATOM 217 C VAL A 17 -13.278 8.745 -2.737 1.00 0.00 C ATOM 218 O VAL A 17 -13.787 7.629 -2.628 1.00 0.00 O ATOM 219 CB VAL A 17 -13.120 9.479 -0.357 1.00 0.00 C ATOM 220 CG1 VAL A 17 -11.620 9.228 -0.381 1.00 0.00 C ATOM 221 CG2 VAL A 17 -13.471 10.564 0.651 1.00 0.00 C ATOM 0 H VAL A 17 -15.433 10.408 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.138 10.783 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.614 8.557 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.280 8.959 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.398 8.414 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.105 10.131 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.105 10.277 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.006 11.503 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.553 10.690 0.688 1.00 0.00 H new ATOM 231 N LEU A 18 -12.407 9.053 -3.692 1.00 0.00 N ATOM 232 CA LEU A 18 -11.989 8.075 -4.689 1.00 0.00 C ATOM 233 C LEU A 18 -10.531 7.675 -4.482 1.00 0.00 C ATOM 234 O LEU A 18 -9.617 8.434 -4.802 1.00 0.00 O ATOM 235 CB LEU A 18 -12.179 8.640 -6.098 1.00 0.00 C ATOM 236 CG LEU A 18 -12.207 7.617 -7.234 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.082 8.111 -8.375 1.00 0.00 C ATOM 238 CD2 LEU A 18 -10.797 7.328 -7.727 1.00 0.00 C ATOM 0 H LEU A 18 -11.977 9.972 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.610 7.187 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.113 9.202 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.375 9.349 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.633 6.690 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.090 7.370 -9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.099 8.266 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.686 9.052 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.837 6.598 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.343 8.249 -8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.199 6.929 -6.907 1.00 0.00 H new ATOM 250 N VAL A 19 -10.323 6.476 -3.946 1.00 0.00 N ATOM 251 CA VAL A 19 -8.977 5.973 -3.698 1.00 0.00 C ATOM 252 C VAL A 19 -8.384 5.348 -4.956 1.00 0.00 C ATOM 253 O VAL A 19 -9.058 4.604 -5.669 1.00 0.00 O ATOM 254 CB VAL A 19 -8.967 4.930 -2.566 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.539 4.578 -2.176 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.745 5.442 -1.363 1.00 0.00 C ATOM 0 H VAL A 19 -11.069 5.835 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.370 6.827 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.454 4.024 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.552 3.839 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.017 4.167 -3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.024 5.475 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.728 4.692 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.289 6.363 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.777 5.639 -1.654 1.00 0.00 H new ATOM 266 N ARG A 20 -7.118 5.654 -5.223 1.00 0.00 N ATOM 267 CA ARG A 20 -6.434 5.123 -6.395 1.00 0.00 C ATOM 268 C ARG A 20 -5.251 4.251 -5.986 1.00 0.00 C ATOM 269 O ARG A 20 -4.156 4.754 -5.726 1.00 0.00 O ATOM 270 CB ARG A 20 -5.954 6.264 -7.293 1.00 0.00 C ATOM 271 CG ARG A 20 -6.985 6.708 -8.318 1.00 0.00 C ATOM 272 CD ARG A 20 -6.324 7.274 -9.565 1.00 0.00 C ATOM 273 NE ARG A 20 -7.266 7.405 -10.673 1.00 0.00 N ATOM 274 CZ ARG A 20 -6.902 7.702 -11.916 1.00 0.00 C ATOM 275 NH1 ARG A 20 -5.623 7.897 -12.207 1.00 0.00 N ATOM 276 NH2 ARG A 20 -7.818 7.803 -12.870 1.00 0.00 N ATOM 0 H ARG A 20 -6.546 6.267 -4.643 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.142 4.507 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.684 7.116 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.049 5.950 -7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.615 5.862 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.637 7.462 -7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.895 8.250 -9.337 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.500 6.626 -9.864 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.258 7.261 -10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.916 7.819 -11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.346 8.125 -13.162 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.803 7.653 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.538 8.031 -13.824 1.00 0.00 H new ATOM 290 N LEU A 21 -5.477 2.944 -5.930 1.00 0.00 N ATOM 291 CA LEU A 21 -4.429 2.001 -5.551 1.00 0.00 C ATOM 292 C LEU A 21 -3.458 1.774 -6.705 1.00 0.00 C ATOM 293 O LEU A 21 -3.742 1.010 -7.628 1.00 0.00 O ATOM 294 CB LEU A 21 -5.046 0.670 -5.119 1.00 0.00 C ATOM 295 CG LEU A 21 -4.248 -0.138 -4.095 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.809 0.749 -2.940 1.00 0.00 C ATOM 297 CD2 LEU A 21 -5.070 -1.313 -3.585 1.00 0.00 C ATOM 0 H LEU A 21 -6.376 2.512 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.876 2.427 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.035 0.868 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.189 0.054 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.356 -0.529 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.243 0.157 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.182 1.556 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.687 1.170 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.486 -1.877 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.980 -0.943 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.334 -1.962 -4.420 1.00 0.00 H new ATOM 309 N HIS A 22 -2.310 2.442 -6.646 1.00 0.00 N ATOM 310 CA HIS A 22 -1.295 2.310 -7.685 1.00 0.00 C ATOM 311 C HIS A 22 -0.825 0.864 -7.805 1.00 0.00 C ATOM 312 O HIS A 22 -1.187 0.159 -8.746 1.00 0.00 O ATOM 313 CB HIS A 22 -0.106 3.223 -7.384 1.00 0.00 C ATOM 314 CG HIS A 22 -0.466 4.675 -7.322 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.073 5.621 -8.169 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.317 5.342 -6.508 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.430 6.807 -7.878 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.277 6.665 -6.874 1.00 0.00 N ATOM 0 H HIS A 22 -2.060 3.080 -5.890 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.741 2.608 -8.634 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.338 2.926 -6.434 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.656 3.078 -8.150 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.754 5.434 -8.905 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.916 4.914 -5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.190 7.735 -8.376 1.00 0.00 H new ATOM 327 N ASN A 23 -0.014 0.429 -6.846 1.00 0.00 N ATOM 328 CA ASN A 23 0.507 -0.933 -6.845 1.00 0.00 C ATOM 329 C ASN A 23 1.309 -1.208 -5.577 1.00 0.00 C ATOM 330 O ASN A 23 2.128 -0.399 -5.143 1.00 0.00 O ATOM 331 CB ASN A 23 1.385 -1.166 -8.077 1.00 0.00 C ATOM 332 CG ASN A 23 2.834 -0.790 -7.834 1.00 0.00 C ATOM 333 OD1 ASN A 23 3.180 0.391 -7.786 1.00 0.00 O ATOM 334 ND2 ASN A 23 3.688 -1.795 -7.680 1.00 0.00 N ATOM 0 H ASN A 23 0.296 1.000 -6.060 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.339 -1.619 -6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.328 -2.215 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.996 -0.583 -8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.676 -1.604 -7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.356 -2.758 -7.728 1.00 0.00 H new ATOM 341 N PRO A 24 1.068 -2.378 -4.967 1.00 0.00 N ATOM 342 CA PRO A 24 1.757 -2.788 -3.740 1.00 0.00 C ATOM 343 C PRO A 24 3.229 -3.105 -3.981 1.00 0.00 C ATOM 344 O PRO A 24 3.604 -4.263 -4.164 1.00 0.00 O ATOM 345 CB PRO A 24 1.002 -4.049 -3.313 1.00 0.00 C ATOM 346 CG PRO A 24 0.420 -4.588 -4.574 1.00 0.00 C ATOM 347 CD PRO A 24 0.104 -3.392 -5.428 1.00 0.00 C ATOM 0 HA PRO A 24 1.755 -1.999 -2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.671 -4.771 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.224 -3.817 -2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.124 -5.251 -5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.478 -5.171 -4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.228 -3.612 -6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.925 -3.060 -5.290 1.00 0.00 H new ATOM 355 N VAL A 25 4.061 -2.068 -3.978 1.00 0.00 N ATOM 356 CA VAL A 25 5.493 -2.236 -4.195 1.00 0.00 C ATOM 357 C VAL A 25 6.094 -3.199 -3.176 1.00 0.00 C ATOM 358 O VAL A 25 6.249 -2.860 -2.003 1.00 0.00 O ATOM 359 CB VAL A 25 6.235 -0.889 -4.112 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.724 -1.083 -4.358 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.648 0.104 -5.103 1.00 0.00 C ATOM 0 H VAL A 25 3.768 -1.103 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 25 5.615 -2.648 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 25 6.107 -0.485 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.232 -0.120 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.132 -1.758 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.876 -1.510 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.184 1.050 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.744 -0.291 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.594 0.266 -4.875 1.00 0.00 H new ATOM 371 N VAL A 26 6.431 -4.401 -3.633 1.00 0.00 N ATOM 372 CA VAL A 26 7.016 -5.413 -2.762 1.00 0.00 C ATOM 373 C VAL A 26 8.453 -5.057 -2.395 1.00 0.00 C ATOM 374 O VAL A 26 9.340 -5.050 -3.249 1.00 0.00 O ATOM 375 CB VAL A 26 6.996 -6.803 -3.425 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.356 -6.697 -4.899 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.943 -7.750 -2.703 1.00 0.00 C ATOM 0 H VAL A 26 6.309 -4.697 -4.601 1.00 0.00 H new ATOM 0 HA VAL A 26 6.409 -5.442 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 26 5.987 -7.208 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.337 -7.689 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.635 -6.054 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.355 -6.272 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.917 -8.728 -3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.957 -7.352 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.635 -7.849 -1.662 1.00 0.00 H new ATOM 387 N LEU A 27 8.676 -4.763 -1.119 1.00 0.00 N ATOM 388 CA LEU A 27 10.006 -4.407 -0.637 1.00 0.00 C ATOM 389 C LEU A 27 10.784 -5.650 -0.217 1.00 0.00 C ATOM 390 O LEU A 27 11.970 -5.785 -0.519 1.00 0.00 O ATOM 391 CB LEU A 27 9.900 -3.436 0.541 1.00 0.00 C ATOM 392 CG LEU A 27 9.150 -2.131 0.269 1.00 0.00 C ATOM 393 CD1 LEU A 27 8.942 -1.357 1.562 1.00 0.00 C ATOM 394 CD2 LEU A 27 9.902 -1.285 -0.747 1.00 0.00 C ATOM 0 H LEU A 27 7.953 -4.764 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 27 10.543 -3.923 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.407 -3.950 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.908 -3.190 0.875 1.00 0.00 H new ATOM 0 HG LEU A 27 8.172 -2.375 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.407 -0.431 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.360 -1.961 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.910 -1.123 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.353 -0.361 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.894 -1.049 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.999 -1.838 -1.681 1.00 0.00 H new ATOM 406 N THR A 28 10.108 -6.558 0.479 1.00 0.00 N ATOM 407 CA THR A 28 10.735 -7.791 0.939 1.00 0.00 C ATOM 408 C THR A 28 9.738 -8.944 0.950 1.00 0.00 C ATOM 409 O THR A 28 8.523 -8.746 0.953 1.00 0.00 O ATOM 410 CB THR A 28 11.327 -7.626 2.352 1.00 0.00 C ATOM 411 OG1 THR A 28 10.562 -6.673 3.096 1.00 0.00 O ATOM 412 CG2 THR A 28 12.778 -7.175 2.280 1.00 0.00 C ATOM 0 H THR A 28 9.126 -6.463 0.737 1.00 0.00 H new ATOM 0 HA THR A 28 11.540 -8.017 0.239 1.00 0.00 H new ATOM 0 HB THR A 28 11.287 -8.593 2.854 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.944 -6.576 3.993 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.175 -7.065 3.289 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.363 -7.918 1.738 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.836 -6.218 1.761 1.00 0.00 H new ATOM 420 N PRO A 29 10.260 -10.179 0.957 1.00 0.00 N ATOM 421 CA PRO A 29 9.433 -11.389 0.968 1.00 0.00 C ATOM 422 C PRO A 29 8.708 -11.583 2.296 1.00 0.00 C ATOM 423 O PRO A 29 8.009 -12.577 2.495 1.00 0.00 O ATOM 424 CB PRO A 29 10.446 -12.514 0.743 1.00 0.00 C ATOM 425 CG PRO A 29 11.739 -11.965 1.241 1.00 0.00 C ATOM 426 CD PRO A 29 11.700 -10.490 0.953 1.00 0.00 C ATOM 0 HA PRO A 29 8.645 -11.351 0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.163 -13.416 1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.510 -12.784 -0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.857 -12.151 2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.583 -12.438 0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.237 -9.918 1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.159 -10.256 -0.008 1.00 0.00 H new ATOM 434 N THR A 30 8.879 -10.626 3.203 1.00 0.00 N ATOM 435 CA THR A 30 8.242 -10.692 4.513 1.00 0.00 C ATOM 436 C THR A 30 7.464 -9.415 4.810 1.00 0.00 C ATOM 437 O THR A 30 6.814 -9.299 5.850 1.00 0.00 O ATOM 438 CB THR A 30 9.277 -10.922 5.630 1.00 0.00 C ATOM 439 OG1 THR A 30 10.380 -10.023 5.469 1.00 0.00 O ATOM 440 CG2 THR A 30 9.780 -12.357 5.615 1.00 0.00 C ATOM 0 H THR A 30 9.453 -9.796 3.055 1.00 0.00 H new ATOM 0 HA THR A 30 7.553 -11.536 4.488 1.00 0.00 H new ATOM 0 HB THR A 30 8.792 -10.734 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.033 -10.175 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.510 -12.495 6.413 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.942 -13.038 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.249 -12.568 4.654 1.00 0.00 H new ATOM 448 N THR A 31 7.534 -8.457 3.891 1.00 0.00 N ATOM 449 CA THR A 31 6.836 -7.188 4.056 1.00 0.00 C ATOM 450 C THR A 31 6.638 -6.492 2.714 1.00 0.00 C ATOM 451 O THR A 31 7.495 -6.564 1.833 1.00 0.00 O ATOM 452 CB THR A 31 7.602 -6.245 5.003 1.00 0.00 C ATOM 453 OG1 THR A 31 8.060 -6.969 6.150 1.00 0.00 O ATOM 454 CG2 THR A 31 6.719 -5.088 5.445 1.00 0.00 C ATOM 0 H THR A 31 8.067 -8.536 3.025 1.00 0.00 H new ATOM 0 HA THR A 31 5.863 -7.416 4.491 1.00 0.00 H new ATOM 0 HB THR A 31 8.459 -5.841 4.464 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.421 -7.680 6.364 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.281 -4.436 6.113 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.397 -4.522 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.845 -5.476 5.968 1.00 0.00 H new ATOM 462 N VAL A 32 5.503 -5.816 2.565 1.00 0.00 N ATOM 463 CA VAL A 32 5.193 -5.104 1.331 1.00 0.00 C ATOM 464 C VAL A 32 4.650 -3.710 1.622 1.00 0.00 C ATOM 465 O VAL A 32 3.902 -3.512 2.579 1.00 0.00 O ATOM 466 CB VAL A 32 4.166 -5.876 0.481 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.846 -5.111 -0.794 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.681 -7.271 0.161 1.00 0.00 C ATOM 0 H VAL A 32 4.783 -5.747 3.284 1.00 0.00 H new ATOM 0 HA VAL A 32 6.125 -5.018 0.773 1.00 0.00 H new ATOM 0 HB VAL A 32 3.246 -5.977 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.119 -5.671 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.432 -4.136 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.758 -4.977 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.943 -7.802 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.615 -7.195 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.854 -7.817 1.089 1.00 0.00 H new ATOM 478 N GLN A 33 5.032 -2.747 0.790 1.00 0.00 N ATOM 479 CA GLN A 33 4.583 -1.370 0.958 1.00 0.00 C ATOM 480 C GLN A 33 3.410 -1.062 0.033 1.00 0.00 C ATOM 481 O GLN A 33 3.486 -1.284 -1.176 1.00 0.00 O ATOM 482 CB GLN A 33 5.733 -0.399 0.685 1.00 0.00 C ATOM 483 CG GLN A 33 5.638 0.895 1.477 1.00 0.00 C ATOM 484 CD GLN A 33 6.262 2.071 0.752 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.292 1.931 0.090 1.00 0.00 O ATOM 486 NE2 GLN A 33 5.641 3.238 0.872 1.00 0.00 N ATOM 0 H GLN A 33 5.651 -2.895 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 33 4.250 -1.247 1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.677 -0.891 0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.754 -0.163 -0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.590 1.114 1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.131 0.764 2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.790 3.308 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.014 4.065 0.406 1.00 0.00 H new ATOM 495 N VAL A 34 2.327 -0.549 0.608 1.00 0.00 N ATOM 496 CA VAL A 34 1.139 -0.210 -0.166 1.00 0.00 C ATOM 497 C VAL A 34 0.874 1.291 -0.137 1.00 0.00 C ATOM 498 O VAL A 34 0.772 1.894 0.932 1.00 0.00 O ATOM 499 CB VAL A 34 -0.105 -0.950 0.362 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.332 -0.587 -0.460 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.127 -2.454 0.353 1.00 0.00 C ATOM 0 H VAL A 34 2.248 -0.359 1.607 1.00 0.00 H new ATOM 0 HA VAL A 34 1.330 -0.523 -1.193 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.282 -0.638 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.200 -1.119 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.507 0.487 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.169 -0.868 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.761 -2.961 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.330 -2.785 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.979 -2.695 0.989 1.00 0.00 H new ATOM 511 N THR A 35 0.763 1.890 -1.319 1.00 0.00 N ATOM 512 CA THR A 35 0.510 3.321 -1.430 1.00 0.00 C ATOM 513 C THR A 35 -0.776 3.594 -2.200 1.00 0.00 C ATOM 514 O THR A 35 -1.153 2.830 -3.089 1.00 0.00 O ATOM 515 CB THR A 35 1.677 4.045 -2.128 1.00 0.00 C ATOM 516 OG1 THR A 35 2.916 3.698 -1.498 1.00 0.00 O ATOM 517 CG2 THR A 35 1.483 5.553 -2.082 1.00 0.00 C ATOM 0 H THR A 35 0.844 1.406 -2.213 1.00 0.00 H new ATOM 0 HA THR A 35 0.410 3.704 -0.414 1.00 0.00 H new ATOM 0 HB THR A 35 1.700 3.730 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.653 4.161 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.319 6.043 -2.581 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.554 5.816 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.436 5.882 -1.044 1.00 0.00 H new ATOM 525 N TRP A 36 -1.446 4.687 -1.855 1.00 0.00 N ATOM 526 CA TRP A 36 -2.691 5.061 -2.516 1.00 0.00 C ATOM 527 C TRP A 36 -2.891 6.573 -2.486 1.00 0.00 C ATOM 528 O TRP A 36 -2.328 7.267 -1.639 1.00 0.00 O ATOM 529 CB TRP A 36 -3.877 4.365 -1.846 1.00 0.00 C ATOM 530 CG TRP A 36 -4.085 4.783 -0.422 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.804 5.856 0.021 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.565 4.137 0.745 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.763 5.915 1.393 1.00 0.00 N ATOM 534 CE2 TRP A 36 -4.010 4.872 1.862 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.768 3.008 0.956 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.683 4.513 3.167 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.445 2.654 2.252 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.902 3.404 3.344 1.00 0.00 C ATOM 0 H TRP A 36 -1.148 5.330 -1.121 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.631 4.742 -3.556 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.782 4.577 -2.415 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.723 3.286 -1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.328 6.555 -0.614 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.220 6.622 1.969 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.411 2.423 0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.034 5.090 4.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.829 1.784 2.426 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.632 3.101 4.345 1.00 0.00 H new ATOM 549 N THR A 37 -3.696 7.078 -3.416 1.00 0.00 N ATOM 550 CA THR A 37 -3.968 8.507 -3.497 1.00 0.00 C ATOM 551 C THR A 37 -5.467 8.779 -3.551 1.00 0.00 C ATOM 552 O THR A 37 -6.181 8.218 -4.383 1.00 0.00 O ATOM 553 CB THR A 37 -3.299 9.138 -4.732 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.620 8.379 -5.904 1.00 0.00 O ATOM 555 CG2 THR A 37 -1.789 9.197 -4.559 1.00 0.00 C ATOM 0 H THR A 37 -4.171 6.518 -4.124 1.00 0.00 H new ATOM 0 HA THR A 37 -3.551 8.959 -2.597 1.00 0.00 H new ATOM 0 HB THR A 37 -3.676 10.155 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.846 7.838 -6.166 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.339 9.646 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.546 9.799 -3.683 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.398 8.188 -4.426 1.00 0.00 H new ATOM 563 N VAL A 38 -5.940 9.643 -2.658 1.00 0.00 N ATOM 564 CA VAL A 38 -7.355 9.990 -2.605 1.00 0.00 C ATOM 565 C VAL A 38 -7.582 11.436 -3.034 1.00 0.00 C ATOM 566 O VAL A 38 -7.106 12.368 -2.387 1.00 0.00 O ATOM 567 CB VAL A 38 -7.930 9.790 -1.190 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.620 8.390 -0.681 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.385 10.845 -0.240 1.00 0.00 C ATOM 0 H VAL A 38 -5.364 10.115 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.871 9.323 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.013 9.902 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.034 8.267 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.064 7.653 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.540 8.246 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.802 10.689 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.299 10.768 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.664 11.836 -0.598 1.00 0.00 H new ATOM 579 N ASP A 39 -8.313 11.614 -4.128 1.00 0.00 N ATOM 580 CA ASP A 39 -8.606 12.947 -4.644 1.00 0.00 C ATOM 581 C ASP A 39 -9.286 13.803 -3.580 1.00 0.00 C ATOM 582 O ASP A 39 -9.103 15.020 -3.539 1.00 0.00 O ATOM 583 CB ASP A 39 -9.493 12.853 -5.886 1.00 0.00 C ATOM 584 CG ASP A 39 -9.869 14.216 -6.433 1.00 0.00 C ATOM 585 OD1 ASP A 39 -9.078 14.777 -7.220 1.00 0.00 O ATOM 586 OD2 ASP A 39 -10.953 14.722 -6.074 1.00 0.00 O ATOM 0 H ASP A 39 -8.714 10.852 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.663 13.420 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.973 12.286 -6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.400 12.300 -5.640 1.00 0.00 H new ATOM 591 N ARG A 40 -10.073 13.160 -2.724 1.00 0.00 N ATOM 592 CA ARG A 40 -10.783 13.863 -1.662 1.00 0.00 C ATOM 593 C ARG A 40 -10.212 13.500 -0.294 1.00 0.00 C ATOM 594 O ARG A 40 -10.075 12.324 0.039 1.00 0.00 O ATOM 595 CB ARG A 40 -12.275 13.529 -1.709 1.00 0.00 C ATOM 596 CG ARG A 40 -12.846 13.489 -3.117 1.00 0.00 C ATOM 597 CD ARG A 40 -13.040 14.888 -3.680 1.00 0.00 C ATOM 598 NE ARG A 40 -14.226 15.540 -3.130 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.616 16.763 -3.470 1.00 0.00 C ATOM 600 NH1 ARG A 40 -13.918 17.464 -4.354 1.00 0.00 N ATOM 601 NH2 ARG A 40 -15.707 17.288 -2.927 1.00 0.00 N ATOM 0 H ARG A 40 -10.235 12.153 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.653 14.934 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.437 12.562 -1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.823 14.268 -1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.177 12.924 -3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.801 12.963 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.160 15.492 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.127 14.833 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.785 15.028 -2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.079 17.064 -4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.220 18.403 -4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.247 16.752 -2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.006 18.227 -3.189 1.00 0.00 H new ATOM 615 N GLN A 41 -9.882 14.519 0.493 1.00 0.00 N ATOM 616 CA GLN A 41 -9.325 14.307 1.823 1.00 0.00 C ATOM 617 C GLN A 41 -10.382 14.537 2.899 1.00 0.00 C ATOM 618 O GLN A 41 -10.642 15.666 3.317 1.00 0.00 O ATOM 619 CB GLN A 41 -8.134 15.238 2.055 1.00 0.00 C ATOM 620 CG GLN A 41 -7.435 15.011 3.386 1.00 0.00 C ATOM 621 CD GLN A 41 -6.065 15.658 3.443 1.00 0.00 C ATOM 622 OE1 GLN A 41 -5.931 16.825 3.812 1.00 0.00 O ATOM 623 NE2 GLN A 41 -5.037 14.901 3.076 1.00 0.00 N ATOM 0 H GLN A 41 -9.991 15.499 0.232 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.986 13.273 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.414 15.102 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.476 16.272 2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.054 15.409 4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.334 13.940 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.194 13.938 2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.091 15.282 3.093 1.00 0.00 H new ATOM 632 N PRO A 42 -11.008 13.443 3.358 1.00 0.00 N ATOM 633 CA PRO A 42 -12.047 13.500 4.391 1.00 0.00 C ATOM 634 C PRO A 42 -11.485 13.873 5.758 1.00 0.00 C ATOM 635 O PRO A 42 -10.472 13.325 6.192 1.00 0.00 O ATOM 636 CB PRO A 42 -12.604 12.075 4.412 1.00 0.00 C ATOM 637 CG PRO A 42 -11.490 11.225 3.906 1.00 0.00 C ATOM 638 CD PRO A 42 -10.749 12.066 2.905 1.00 0.00 C ATOM 0 HA PRO A 42 -12.796 14.262 4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.901 11.781 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.488 11.986 3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.833 10.918 4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.872 10.315 3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.683 11.839 2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.115 11.901 1.892 1.00 0.00 H new ATOM 646 N GLN A 43 -12.149 14.806 6.432 1.00 0.00 N ATOM 647 CA GLN A 43 -11.715 15.251 7.750 1.00 0.00 C ATOM 648 C GLN A 43 -12.218 14.307 8.837 1.00 0.00 C ATOM 649 O GLN A 43 -11.481 13.955 9.759 1.00 0.00 O ATOM 650 CB GLN A 43 -12.213 16.672 8.022 1.00 0.00 C ATOM 651 CG GLN A 43 -11.510 17.732 7.190 1.00 0.00 C ATOM 652 CD GLN A 43 -11.960 19.138 7.536 1.00 0.00 C ATOM 653 OE1 GLN A 43 -12.186 19.461 8.702 1.00 0.00 O ATOM 654 NE2 GLN A 43 -12.093 19.984 6.521 1.00 0.00 N ATOM 0 H GLN A 43 -12.990 15.268 6.087 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.625 15.246 7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.284 16.717 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.075 16.901 9.079 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.433 17.652 7.340 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.699 17.544 6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.895 19.674 5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.393 20.944 6.693 1.00 0.00 H new ATOM 663 N PHE A 44 -13.477 13.899 8.722 1.00 0.00 N ATOM 664 CA PHE A 44 -14.080 12.995 9.696 1.00 0.00 C ATOM 665 C PHE A 44 -13.291 11.693 9.790 1.00 0.00 C ATOM 666 O PHE A 44 -13.231 11.066 10.849 1.00 0.00 O ATOM 667 CB PHE A 44 -15.533 12.699 9.317 1.00 0.00 C ATOM 668 CG PHE A 44 -15.708 12.298 7.880 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.791 13.258 6.885 1.00 0.00 C ATOM 670 CD2 PHE A 44 -15.789 10.961 7.525 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.953 12.892 5.562 1.00 0.00 C ATOM 672 CE2 PHE A 44 -15.950 10.589 6.204 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.031 11.555 5.221 1.00 0.00 C ATOM 0 H PHE A 44 -14.100 14.179 7.965 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.058 13.483 10.670 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -15.912 11.902 9.957 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.139 13.583 9.516 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.728 14.304 7.146 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.726 10.201 8.290 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.019 13.650 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.012 9.543 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.155 11.266 4.188 1.00 0.00 H new ATOM 683 N ILE A 45 -12.688 11.291 8.676 1.00 0.00 N ATOM 684 CA ILE A 45 -11.903 10.064 8.633 1.00 0.00 C ATOM 685 C ILE A 45 -10.999 9.946 9.855 1.00 0.00 C ATOM 686 O ILE A 45 -10.531 10.950 10.391 1.00 0.00 O ATOM 687 CB ILE A 45 -11.038 9.994 7.360 1.00 0.00 C ATOM 688 CG1 ILE A 45 -10.669 8.542 7.048 1.00 0.00 C ATOM 689 CG2 ILE A 45 -9.786 10.841 7.523 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.213 8.327 5.622 1.00 0.00 C ATOM 0 H ILE A 45 -12.728 11.797 7.791 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.612 9.236 8.628 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.614 10.391 6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.877 8.223 7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.532 7.906 7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.185 10.781 6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.069 11.878 7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.204 10.472 8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.968 7.275 5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.011 8.614 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.331 8.936 5.426 1.00 0.00 H new ATOM 702 N GLN A 46 -10.757 8.714 10.289 1.00 0.00 N ATOM 703 CA GLN A 46 -9.908 8.465 11.448 1.00 0.00 C ATOM 704 C GLN A 46 -8.607 7.786 11.034 1.00 0.00 C ATOM 705 O GLN A 46 -7.622 7.805 11.771 1.00 0.00 O ATOM 706 CB GLN A 46 -10.645 7.600 12.472 1.00 0.00 C ATOM 707 CG GLN A 46 -11.471 8.403 13.464 1.00 0.00 C ATOM 708 CD GLN A 46 -10.636 8.961 14.600 1.00 0.00 C ATOM 709 OE1 GLN A 46 -9.652 8.352 15.021 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.026 10.126 15.104 1.00 0.00 N ATOM 0 H GLN A 46 -11.137 7.872 9.856 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.667 9.426 11.902 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.299 6.906 11.945 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.918 7.000 13.019 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.962 9.224 12.942 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.258 7.769 13.873 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.848 10.596 14.725 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.504 10.551 15.870 1.00 0.00 H new ATOM 719 N GLY A 47 -8.610 7.184 9.848 1.00 0.00 N ATOM 720 CA GLY A 47 -7.425 6.506 9.357 1.00 0.00 C ATOM 721 C GLY A 47 -7.665 5.805 8.034 1.00 0.00 C ATOM 722 O GLY A 47 -8.335 6.341 7.152 1.00 0.00 O ATOM 0 H GLY A 47 -9.412 7.154 9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.618 7.230 9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.095 5.777 10.097 1.00 0.00 H new ATOM 726 N TYR A 48 -7.115 4.604 7.895 1.00 0.00 N ATOM 727 CA TYR A 48 -7.269 3.830 6.669 1.00 0.00 C ATOM 728 C TYR A 48 -7.160 2.335 6.951 1.00 0.00 C ATOM 729 O TYR A 48 -6.105 1.842 7.352 1.00 0.00 O ATOM 730 CB TYR A 48 -6.212 4.245 5.643 1.00 0.00 C ATOM 731 CG TYR A 48 -6.553 5.520 4.906 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.523 5.533 3.912 1.00 0.00 C ATOM 733 CD2 TYR A 48 -5.903 6.712 5.202 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.837 6.696 3.235 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.211 7.880 4.532 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.179 7.867 3.549 1.00 0.00 C ATOM 737 OH TYR A 48 -7.488 9.027 2.877 1.00 0.00 O ATOM 0 H TYR A 48 -6.558 4.145 8.616 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.260 4.033 6.263 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.256 4.373 6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.084 3.440 4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.041 4.618 3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.143 6.725 5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.593 6.688 2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.697 8.798 4.776 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.935 9.760 3.219 1.00 0.00 H new ATOM 747 N ARG A 49 -8.258 1.617 6.738 1.00 0.00 N ATOM 748 CA ARG A 49 -8.288 0.178 6.969 1.00 0.00 C ATOM 749 C ARG A 49 -7.773 -0.579 5.749 1.00 0.00 C ATOM 750 O ARG A 49 -8.422 -0.607 4.703 1.00 0.00 O ATOM 751 CB ARG A 49 -9.710 -0.277 7.303 1.00 0.00 C ATOM 752 CG ARG A 49 -9.779 -1.677 7.890 1.00 0.00 C ATOM 753 CD ARG A 49 -9.683 -1.651 9.407 1.00 0.00 C ATOM 754 NE ARG A 49 -10.890 -1.106 10.022 1.00 0.00 N ATOM 755 CZ ARG A 49 -11.274 -1.386 11.263 1.00 0.00 C ATOM 756 NH1 ARG A 49 -10.548 -2.200 12.017 1.00 0.00 N ATOM 757 NH2 ARG A 49 -12.385 -0.851 11.752 1.00 0.00 N ATOM 0 H ARG A 49 -9.139 2.009 6.406 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.636 -0.043 7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.151 0.426 8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.316 -0.241 6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.714 -2.152 7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.969 -2.283 7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.512 -2.662 9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.822 -1.053 9.706 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.470 -0.476 9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.693 -2.613 11.645 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.845 -2.413 12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.946 -0.224 11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.679 -1.067 12.705 1.00 0.00 H new ATOM 771 N VAL A 50 -6.602 -1.192 5.890 1.00 0.00 N ATOM 772 CA VAL A 50 -6.000 -1.951 4.800 1.00 0.00 C ATOM 773 C VAL A 50 -6.180 -3.450 5.008 1.00 0.00 C ATOM 774 O VAL A 50 -5.438 -4.075 5.766 1.00 0.00 O ATOM 775 CB VAL A 50 -4.498 -1.640 4.662 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.898 -2.407 3.493 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.277 -0.143 4.498 1.00 0.00 C ATOM 0 H VAL A 50 -6.051 -1.178 6.748 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.512 -1.650 3.886 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.993 -1.961 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.836 -2.174 3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.023 -3.477 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.404 -2.120 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.210 0.059 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.794 0.205 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.668 0.380 5.371 1.00 0.00 H new ATOM 787 N MET A 51 -7.170 -4.022 4.331 1.00 0.00 N ATOM 788 CA MET A 51 -7.447 -5.449 4.441 1.00 0.00 C ATOM 789 C MET A 51 -6.564 -6.249 3.488 1.00 0.00 C ATOM 790 O MET A 51 -6.419 -5.896 2.317 1.00 0.00 O ATOM 791 CB MET A 51 -8.921 -5.729 4.144 1.00 0.00 C ATOM 792 CG MET A 51 -9.863 -5.242 5.234 1.00 0.00 C ATOM 793 SD MET A 51 -11.569 -5.758 4.958 1.00 0.00 S ATOM 794 CE MET A 51 -11.445 -7.518 5.266 1.00 0.00 C ATOM 0 H MET A 51 -7.794 -3.519 3.700 1.00 0.00 H new ATOM 0 HA MET A 51 -7.224 -5.759 5.462 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.191 -5.252 3.202 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.059 -6.802 4.009 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.524 -5.621 6.198 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.820 -4.154 5.287 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.296 -7.844 5.864 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.442 -8.054 4.317 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.521 -7.729 5.805 1.00 0.00 H new ATOM 804 N TYR A 52 -5.976 -7.326 3.997 1.00 0.00 N ATOM 805 CA TYR A 52 -5.105 -8.174 3.192 1.00 0.00 C ATOM 806 C TYR A 52 -5.225 -9.635 3.614 1.00 0.00 C ATOM 807 O TYR A 52 -5.585 -9.936 4.752 1.00 0.00 O ATOM 808 CB TYR A 52 -3.652 -7.713 3.316 1.00 0.00 C ATOM 809 CG TYR A 52 -3.096 -7.834 4.717 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.564 -7.024 5.744 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.104 -8.761 5.014 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.058 -7.131 7.025 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.593 -8.876 6.292 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.073 -8.059 7.294 1.00 0.00 C ATOM 815 OH TYR A 52 -1.568 -8.170 8.569 1.00 0.00 O ATOM 0 H TYR A 52 -6.087 -7.632 4.964 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.418 -8.089 2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.034 -8.300 2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.580 -6.674 2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.337 -6.298 5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.726 -9.403 4.232 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.431 -6.492 7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.822 -9.602 6.505 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.883 -8.871 8.590 1.00 0.00 H new ATOM 825 N ARG A 53 -4.919 -10.539 2.689 1.00 0.00 N ATOM 826 CA ARG A 53 -4.993 -11.969 2.963 1.00 0.00 C ATOM 827 C ARG A 53 -4.318 -12.771 1.854 1.00 0.00 C ATOM 828 O ARG A 53 -4.047 -12.247 0.774 1.00 0.00 O ATOM 829 CB ARG A 53 -6.451 -12.407 3.110 1.00 0.00 C ATOM 830 CG ARG A 53 -7.199 -12.488 1.790 1.00 0.00 C ATOM 831 CD ARG A 53 -8.335 -13.497 1.853 1.00 0.00 C ATOM 832 NE ARG A 53 -8.885 -13.785 0.532 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.080 -14.333 0.337 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.845 -14.648 1.372 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.511 -14.565 -0.897 1.00 0.00 N ATOM 0 H ARG A 53 -4.617 -10.306 1.743 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.467 -12.162 3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.481 -13.383 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.967 -11.708 3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.597 -11.506 1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.507 -12.767 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.974 -14.421 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.125 -13.114 2.499 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.322 -13.553 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.517 -14.470 2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.762 -15.068 1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.925 -14.323 -1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.428 -14.986 -1.046 1.00 0.00 H new ATOM 849 N GLN A 54 -4.051 -14.043 2.130 1.00 0.00 N ATOM 850 CA GLN A 54 -3.407 -14.916 1.156 1.00 0.00 C ATOM 851 C GLN A 54 -4.412 -15.409 0.119 1.00 0.00 C ATOM 852 O GLN A 54 -5.595 -15.578 0.416 1.00 0.00 O ATOM 853 CB GLN A 54 -2.756 -16.108 1.860 1.00 0.00 C ATOM 854 CG GLN A 54 -1.606 -16.722 1.078 1.00 0.00 C ATOM 855 CD GLN A 54 -0.644 -17.491 1.963 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.316 -17.056 3.067 1.00 0.00 O ATOM 857 NE2 GLN A 54 -0.186 -18.640 1.481 1.00 0.00 N ATOM 0 H GLN A 54 -4.270 -14.492 3.019 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.636 -14.341 0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.391 -15.788 2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.513 -16.872 2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.006 -17.390 0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.063 -15.933 0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.485 -18.962 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.465 -19.201 2.031 1.00 0.00 H new ATOM 866 N THR A 55 -3.933 -15.639 -1.099 1.00 0.00 N ATOM 867 CA THR A 55 -4.788 -16.111 -2.181 1.00 0.00 C ATOM 868 C THR A 55 -4.410 -17.526 -2.604 1.00 0.00 C ATOM 869 O THR A 55 -5.252 -18.289 -3.074 1.00 0.00 O ATOM 870 CB THR A 55 -4.709 -15.182 -3.407 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.348 -15.047 -3.831 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.283 -13.810 -3.084 1.00 0.00 C ATOM 0 H THR A 55 -2.956 -15.506 -1.361 1.00 0.00 H new ATOM 0 HA THR A 55 -5.809 -16.110 -1.799 1.00 0.00 H new ATOM 0 HB THR A 55 -5.298 -15.625 -4.210 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.830 -14.600 -3.130 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.216 -13.171 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.327 -13.913 -2.788 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.717 -13.362 -2.267 1.00 0.00 H new ATOM 880 N SER A 56 -3.137 -17.869 -2.433 1.00 0.00 N ATOM 881 CA SER A 56 -2.646 -19.192 -2.800 1.00 0.00 C ATOM 882 C SER A 56 -2.261 -19.992 -1.560 1.00 0.00 C ATOM 883 O SER A 56 -1.946 -19.425 -0.515 1.00 0.00 O ATOM 884 CB SER A 56 -1.443 -19.070 -3.737 1.00 0.00 C ATOM 885 OG SER A 56 -1.320 -20.217 -4.561 1.00 0.00 O ATOM 0 H SER A 56 -2.427 -17.249 -2.043 1.00 0.00 H new ATOM 0 HA SER A 56 -3.448 -19.720 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.551 -18.181 -4.359 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.533 -18.940 -3.151 1.00 0.00 H new ATOM 0 HG SER A 56 -0.545 -20.114 -5.152 1.00 0.00 H new ATOM 891 N GLY A 57 -2.288 -21.316 -1.685 1.00 0.00 N ATOM 892 CA GLY A 57 -1.940 -22.174 -0.568 1.00 0.00 C ATOM 893 C GLY A 57 -3.049 -22.262 0.463 1.00 0.00 C ATOM 894 O GLY A 57 -4.114 -21.669 0.292 1.00 0.00 O ATOM 0 H GLY A 57 -2.545 -21.809 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.712 -23.173 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.035 -21.797 -0.092 1.00 0.00 H new ATOM 898 N LEU A 58 -2.799 -23.005 1.535 1.00 0.00 N ATOM 899 CA LEU A 58 -3.785 -23.171 2.597 1.00 0.00 C ATOM 900 C LEU A 58 -4.181 -21.822 3.189 1.00 0.00 C ATOM 901 O LEU A 58 -5.364 -21.502 3.291 1.00 0.00 O ATOM 902 CB LEU A 58 -3.232 -24.080 3.696 1.00 0.00 C ATOM 903 CG LEU A 58 -4.248 -24.989 4.389 1.00 0.00 C ATOM 904 CD1 LEU A 58 -5.285 -24.162 5.132 1.00 0.00 C ATOM 905 CD2 LEU A 58 -4.919 -25.907 3.378 1.00 0.00 C ATOM 0 H LEU A 58 -1.922 -23.502 1.692 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.673 -23.632 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.451 -24.705 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.758 -23.455 4.453 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.719 -25.606 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.999 -24.826 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.790 -23.548 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.810 -23.518 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.639 -26.547 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.435 -25.307 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.165 -26.526 2.892 1.00 0.00 H new ATOM 917 N GLN A 59 -3.181 -21.035 3.574 1.00 0.00 N ATOM 918 CA GLN A 59 -3.425 -19.719 4.153 1.00 0.00 C ATOM 919 C GLN A 59 -4.368 -18.904 3.275 1.00 0.00 C ATOM 920 O GLN A 59 -4.939 -17.907 3.718 1.00 0.00 O ATOM 921 CB GLN A 59 -2.106 -18.968 4.340 1.00 0.00 C ATOM 922 CG GLN A 59 -1.298 -19.445 5.536 1.00 0.00 C ATOM 923 CD GLN A 59 -1.892 -18.998 6.857 1.00 0.00 C ATOM 924 OE1 GLN A 59 -1.752 -17.841 7.255 1.00 0.00 O ATOM 925 NE2 GLN A 59 -2.561 -19.915 7.547 1.00 0.00 N ATOM 0 H GLN A 59 -2.195 -21.286 3.496 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.895 -19.860 5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.504 -19.078 3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.316 -17.905 4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.238 -20.533 5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.278 -19.068 5.454 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.653 -20.862 7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.983 -19.672 8.443 1.00 0.00 H new ATOM 934 N ALA A 60 -4.527 -19.333 2.027 1.00 0.00 N ATOM 935 CA ALA A 60 -5.402 -18.644 1.087 1.00 0.00 C ATOM 936 C ALA A 60 -6.839 -18.613 1.596 1.00 0.00 C ATOM 937 O ALA A 60 -7.195 -19.338 2.526 1.00 0.00 O ATOM 938 CB ALA A 60 -5.338 -19.311 -0.279 1.00 0.00 C ATOM 0 H ALA A 60 -4.061 -20.155 1.644 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.055 -17.615 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.996 -18.786 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.315 -19.276 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.657 -20.350 -0.192 1.00 0.00 H new ATOM 944 N THR A 61 -7.661 -17.768 0.982 1.00 0.00 N ATOM 945 CA THR A 61 -9.059 -17.642 1.374 1.00 0.00 C ATOM 946 C THR A 61 -9.229 -17.840 2.876 1.00 0.00 C ATOM 947 O THR A 61 -10.214 -18.426 3.327 1.00 0.00 O ATOM 948 CB THR A 61 -9.946 -18.657 0.629 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.328 -18.357 0.852 1.00 0.00 O ATOM 950 CG2 THR A 61 -9.649 -20.076 1.092 1.00 0.00 C ATOM 0 H THR A 61 -7.383 -17.161 0.211 1.00 0.00 H new ATOM 0 HA THR A 61 -9.372 -16.633 1.106 1.00 0.00 H new ATOM 0 HB THR A 61 -9.727 -18.585 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.488 -18.246 1.813 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.287 -20.776 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.603 -20.312 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.844 -20.158 2.161 1.00 0.00 H new ATOM 958 N SER A 62 -8.264 -17.349 3.646 1.00 0.00 N ATOM 959 CA SER A 62 -8.305 -17.476 5.098 1.00 0.00 C ATOM 960 C SER A 62 -8.851 -16.204 5.739 1.00 0.00 C ATOM 961 O SER A 62 -8.905 -15.150 5.105 1.00 0.00 O ATOM 962 CB SER A 62 -6.909 -17.778 5.645 1.00 0.00 C ATOM 963 OG SER A 62 -6.052 -16.659 5.500 1.00 0.00 O ATOM 0 H SER A 62 -7.444 -16.859 3.289 1.00 0.00 H new ATOM 0 HA SER A 62 -8.971 -18.302 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.979 -18.053 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.486 -18.634 5.119 1.00 0.00 H new ATOM 0 HG SER A 62 -5.423 -16.822 4.766 1.00 0.00 H new ATOM 969 N SER A 63 -9.255 -16.311 7.001 1.00 0.00 N ATOM 970 CA SER A 63 -9.800 -15.170 7.728 1.00 0.00 C ATOM 971 C SER A 63 -9.111 -13.876 7.306 1.00 0.00 C ATOM 972 O SER A 63 -7.928 -13.674 7.576 1.00 0.00 O ATOM 973 CB SER A 63 -9.642 -15.377 9.236 1.00 0.00 C ATOM 974 OG SER A 63 -8.274 -15.467 9.597 1.00 0.00 O ATOM 0 H SER A 63 -9.215 -17.175 7.541 1.00 0.00 H new ATOM 0 HA SER A 63 -10.860 -15.091 7.488 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.109 -14.550 9.771 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.162 -16.286 9.538 1.00 0.00 H new ATOM 0 HG SER A 63 -7.738 -14.921 8.985 1.00 0.00 H new ATOM 980 N TRP A 64 -9.861 -13.005 6.641 1.00 0.00 N ATOM 981 CA TRP A 64 -9.323 -11.730 6.180 1.00 0.00 C ATOM 982 C TRP A 64 -8.731 -10.938 7.340 1.00 0.00 C ATOM 983 O TRP A 64 -9.248 -10.976 8.456 1.00 0.00 O ATOM 984 CB TRP A 64 -10.417 -10.911 5.492 1.00 0.00 C ATOM 985 CG TRP A 64 -10.492 -11.143 4.013 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.304 -12.028 3.363 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.724 -10.482 3.002 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.087 -11.957 2.008 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.123 -11.016 1.761 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.740 -9.490 3.023 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.571 -10.590 0.556 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.193 -9.069 1.826 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.609 -9.617 0.606 1.00 0.00 C ATOM 0 H TRP A 64 -10.842 -13.158 6.409 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.528 -11.937 5.463 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.380 -11.156 5.940 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.239 -9.852 5.678 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.012 -12.687 3.843 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.566 -12.515 1.301 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.413 -9.060 3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.890 -11.012 -0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.431 -8.304 1.831 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.163 -9.265 -0.312 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.645 -10.221 7.068 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.984 -9.420 8.092 1.00 0.00 C ATOM 1006 C GLN A 65 -7.217 -7.932 7.854 1.00 0.00 C ATOM 1007 O GLN A 65 -7.526 -7.512 6.739 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.483 -9.716 8.110 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.154 -11.177 8.374 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.689 -11.494 8.154 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -3.210 -11.515 7.019 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -2.967 -11.744 9.240 1.00 0.00 N ATOM 0 H GLN A 65 -7.205 -10.178 6.149 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.412 -9.686 9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.052 -9.422 7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.009 -9.101 8.875 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.426 -11.427 9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.760 -11.806 7.721 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.405 -11.716 10.161 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.975 -11.964 9.153 1.00 0.00 H new ATOM 1021 N ASN A 66 -7.068 -7.138 8.909 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.264 -5.696 8.815 1.00 0.00 C ATOM 1023 C ASN A 66 -6.156 -4.947 9.549 1.00 0.00 C ATOM 1024 O ASN A 66 -5.813 -5.280 10.684 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.627 -5.306 9.392 1.00 0.00 C ATOM 1026 CG ASN A 66 -9.680 -6.371 9.156 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.619 -7.115 8.177 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.654 -6.449 10.056 1.00 0.00 N ATOM 0 H ASN A 66 -6.812 -7.469 9.839 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.230 -5.418 7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.528 -5.128 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.955 -4.369 8.942 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.391 -7.146 9.951 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.665 -5.812 10.852 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.599 -3.935 8.894 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.530 -3.137 9.484 1.00 0.00 C ATOM 1037 C LEU A 67 -4.971 -1.689 9.673 1.00 0.00 C ATOM 1038 O LEU A 67 -4.937 -0.892 8.736 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.281 -3.190 8.601 1.00 0.00 C ATOM 1040 CG LEU A 67 -2.006 -2.602 9.207 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.350 -3.603 10.145 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -1.038 -2.184 8.109 1.00 0.00 C ATOM 0 H LEU A 67 -5.870 -3.647 7.954 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.295 -3.556 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.089 -4.231 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.495 -2.662 7.672 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.275 -1.717 9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.444 -3.167 10.567 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.041 -3.854 10.950 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.094 -4.507 9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.136 -1.768 8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.775 -3.053 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.509 -1.432 7.476 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.382 -1.356 10.892 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.827 -0.003 11.205 1.00 0.00 C ATOM 1056 C ASP A 68 -4.645 0.960 11.250 1.00 0.00 C ATOM 1057 O ASP A 68 -3.970 1.084 12.272 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.567 0.015 12.544 1.00 0.00 C ATOM 1059 CG ASP A 68 -7.719 -0.970 12.582 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -7.473 -2.179 12.388 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -8.866 -0.532 12.808 1.00 0.00 O ATOM 0 H ASP A 68 -5.416 -2.004 11.679 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.507 0.322 10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.867 -0.218 13.346 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.945 1.020 12.733 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.401 1.641 10.135 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.301 2.594 10.047 1.00 0.00 C ATOM 1068 C ALA A 69 -3.266 3.505 11.269 1.00 0.00 C ATOM 1069 O ALA A 69 -2.194 3.866 11.756 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.419 3.419 8.774 1.00 0.00 C ATOM 0 H ALA A 69 -4.950 1.551 9.280 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.367 2.033 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.591 4.126 8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.387 2.758 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.363 3.964 8.780 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.444 3.874 11.761 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.548 4.743 12.927 1.00 0.00 C ATOM 1078 C LYS A 70 -3.927 6.107 12.646 1.00 0.00 C ATOM 1079 O LYS A 70 -3.388 6.752 13.546 1.00 0.00 O ATOM 1080 CB LYS A 70 -3.862 4.097 14.133 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.726 3.074 14.849 1.00 0.00 C ATOM 1082 CD LYS A 70 -5.839 3.741 15.641 1.00 0.00 C ATOM 1083 CE LYS A 70 -6.988 2.780 15.906 1.00 0.00 C ATOM 1084 NZ LYS A 70 -6.591 1.682 16.831 1.00 0.00 N ATOM 0 H LYS A 70 -5.340 3.584 11.370 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.605 4.884 13.151 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.942 3.615 13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.577 4.877 14.839 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.157 2.387 14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.107 2.479 15.520 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.444 4.107 16.589 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.208 4.608 15.093 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.829 3.328 16.332 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.330 2.354 14.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.401 1.049 16.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.806 1.143 16.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.289 2.086 17.740 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.008 6.543 11.393 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.457 7.832 10.994 1.00 0.00 C ATOM 1100 C VAL A 71 -4.112 8.338 9.714 1.00 0.00 C ATOM 1101 O VAL A 71 -3.883 7.816 8.623 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.934 7.750 10.781 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.349 9.136 10.558 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.267 7.065 11.965 1.00 0.00 C ATOM 0 H VAL A 71 -4.450 6.022 10.636 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.666 8.530 11.805 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.742 7.154 9.889 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.272 9.057 10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.805 9.586 9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.550 9.760 11.429 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.191 7.015 11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.467 7.632 12.874 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.664 6.056 12.073 1.00 0.00 H new ATOM 1114 N PRO A 72 -4.946 9.380 9.848 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.651 9.980 8.711 1.00 0.00 C ATOM 1116 C PRO A 72 -4.709 10.729 7.775 1.00 0.00 C ATOM 1117 O PRO A 72 -5.072 11.061 6.646 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.630 10.952 9.374 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.002 11.288 10.683 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.265 10.052 11.118 1.00 0.00 C ATOM 0 HA PRO A 72 -6.133 9.227 8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.776 11.844 8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.610 10.495 9.511 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.321 12.134 10.584 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.757 11.571 11.417 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.364 10.298 11.680 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.880 9.423 11.762 1.00 0.00 H new ATOM 1128 N THR A 73 -3.495 10.993 8.250 1.00 0.00 N ATOM 1129 CA THR A 73 -2.501 11.703 7.456 1.00 0.00 C ATOM 1130 C THR A 73 -1.627 10.731 6.672 1.00 0.00 C ATOM 1131 O THR A 73 -0.846 11.139 5.813 1.00 0.00 O ATOM 1132 CB THR A 73 -1.601 12.586 8.341 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.033 11.803 9.397 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.391 13.744 8.930 1.00 0.00 C ATOM 0 H THR A 73 -3.177 10.725 9.181 1.00 0.00 H new ATOM 0 HA THR A 73 -3.048 12.338 6.759 1.00 0.00 H new ATOM 0 HB THR A 73 -0.802 12.991 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.461 12.371 9.954 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.735 14.354 9.551 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.798 14.354 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.208 13.355 9.538 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.764 9.443 6.973 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.986 8.414 6.295 1.00 0.00 C ATOM 1144 C GLU A 74 -1.759 7.837 5.113 1.00 0.00 C ATOM 1145 O GLU A 74 -2.903 7.405 5.257 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.617 7.295 7.272 1.00 0.00 C ATOM 1147 CG GLU A 74 0.616 7.598 8.107 1.00 0.00 C ATOM 1148 CD GLU A 74 1.894 7.102 7.460 1.00 0.00 C ATOM 1149 OE1 GLU A 74 2.259 5.930 7.687 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.530 7.887 6.726 1.00 0.00 O ATOM 0 H GLU A 74 -2.406 9.088 7.682 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.072 8.875 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.461 7.113 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.449 6.375 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.687 8.674 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.508 7.137 9.089 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.126 7.835 3.944 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.754 7.313 2.736 1.00 0.00 C ATOM 1159 C ARG A 75 -1.065 6.032 2.274 1.00 0.00 C ATOM 1160 O ARG A 75 -1.067 5.709 1.087 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.711 8.359 1.621 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.421 9.656 1.974 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.002 10.327 0.739 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.037 11.211 0.091 1.00 0.00 N ATOM 1165 CZ ARG A 75 -2.375 12.159 -0.775 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -3.648 12.346 -1.095 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -1.439 12.924 -1.323 1.00 0.00 N ATOM 0 H ARG A 75 -0.179 8.189 3.808 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.794 7.082 2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.671 8.578 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.165 7.939 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.219 9.453 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.721 10.334 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.327 9.564 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.886 10.899 1.020 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.049 11.094 0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.371 11.761 -0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.905 13.075 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.459 12.784 -1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.700 13.652 -1.988 1.00 0.00 H new ATOM 1181 N SER A 76 -0.477 5.308 3.221 1.00 0.00 N ATOM 1182 CA SER A 76 0.219 4.065 2.912 1.00 0.00 C ATOM 1183 C SER A 76 0.196 3.117 4.106 1.00 0.00 C ATOM 1184 O SER A 76 -0.161 3.509 5.217 1.00 0.00 O ATOM 1185 CB SER A 76 1.665 4.354 2.504 1.00 0.00 C ATOM 1186 OG SER A 76 2.455 4.691 3.631 1.00 0.00 O ATOM 0 H SER A 76 -0.469 5.561 4.209 1.00 0.00 H new ATOM 0 HA SER A 76 -0.298 3.586 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.088 3.480 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.686 5.171 1.783 1.00 0.00 H new ATOM 0 HG SER A 76 3.375 4.869 3.344 1.00 0.00 H new ATOM 1192 N ALA A 77 0.579 1.867 3.869 1.00 0.00 N ATOM 1193 CA ALA A 77 0.604 0.862 4.925 1.00 0.00 C ATOM 1194 C ALA A 77 1.709 -0.161 4.683 1.00 0.00 C ATOM 1195 O ALA A 77 2.028 -0.487 3.539 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.747 0.169 5.026 1.00 0.00 C ATOM 0 H ALA A 77 0.876 1.526 2.955 1.00 0.00 H new ATOM 0 HA ALA A 77 0.812 1.367 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.714 -0.579 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.518 0.905 5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.979 -0.317 4.078 1.00 0.00 H new ATOM 1202 N VAL A 78 2.291 -0.665 5.767 1.00 0.00 N ATOM 1203 CA VAL A 78 3.360 -1.651 5.672 1.00 0.00 C ATOM 1204 C VAL A 78 2.919 -2.996 6.239 1.00 0.00 C ATOM 1205 O VAL A 78 2.944 -3.209 7.452 1.00 0.00 O ATOM 1206 CB VAL A 78 4.624 -1.182 6.416 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.726 -2.225 6.307 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.093 0.160 5.875 1.00 0.00 C ATOM 0 H VAL A 78 2.040 -0.406 6.721 1.00 0.00 H new ATOM 0 HA VAL A 78 3.592 -1.765 4.613 1.00 0.00 H new ATOM 0 HB VAL A 78 4.379 -1.057 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.611 -1.876 6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.385 -3.162 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.973 -2.385 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.987 0.476 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.322 0.064 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.306 0.902 6.011 1.00 0.00 H new ATOM 1218 N LEU A 79 2.515 -3.901 5.355 1.00 0.00 N ATOM 1219 CA LEU A 79 2.069 -5.227 5.767 1.00 0.00 C ATOM 1220 C LEU A 79 3.257 -6.122 6.104 1.00 0.00 C ATOM 1221 O LEU A 79 3.940 -6.627 5.213 1.00 0.00 O ATOM 1222 CB LEU A 79 1.229 -5.871 4.662 1.00 0.00 C ATOM 1223 CG LEU A 79 0.060 -5.037 4.136 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.509 -5.655 2.868 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -1.021 -4.905 5.199 1.00 0.00 C ATOM 0 H LEU A 79 2.487 -3.741 4.348 1.00 0.00 H new ATOM 0 HA LEU A 79 1.457 -5.115 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.886 -6.108 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.836 -6.816 5.036 1.00 0.00 H new ATOM 0 HG LEU A 79 0.429 -4.040 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.340 -5.048 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.267 -5.697 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.863 -6.664 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.845 -4.309 4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.387 -5.895 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.606 -4.417 6.081 1.00 0.00 H new ATOM 1237 N VAL A 80 3.498 -6.316 7.397 1.00 0.00 N ATOM 1238 CA VAL A 80 4.602 -7.152 7.853 1.00 0.00 C ATOM 1239 C VAL A 80 4.129 -8.570 8.155 1.00 0.00 C ATOM 1240 O VAL A 80 2.971 -8.912 7.919 1.00 0.00 O ATOM 1241 CB VAL A 80 5.268 -6.566 9.111 1.00 0.00 C ATOM 1242 CG1 VAL A 80 5.798 -5.167 8.833 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.289 -6.552 10.275 1.00 0.00 C ATOM 0 H VAL A 80 2.943 -5.905 8.148 1.00 0.00 H new ATOM 0 HA VAL A 80 5.333 -7.180 7.044 1.00 0.00 H new ATOM 0 HB VAL A 80 6.111 -7.201 9.383 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.265 -4.769 9.734 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.535 -5.210 8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.974 -4.518 8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.777 -6.135 11.156 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.424 -5.941 10.016 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.963 -7.570 10.489 1.00 0.00 H new ATOM 1253 N ASN A 81 5.033 -9.390 8.680 1.00 0.00 N ATOM 1254 CA ASN A 81 4.708 -10.772 9.016 1.00 0.00 C ATOM 1255 C ASN A 81 3.989 -11.458 7.858 1.00 0.00 C ATOM 1256 O ASN A 81 3.059 -12.239 8.066 1.00 0.00 O ATOM 1257 CB ASN A 81 3.838 -10.822 10.273 1.00 0.00 C ATOM 1258 CG ASN A 81 2.471 -10.201 10.056 1.00 0.00 C ATOM 1259 OD1 ASN A 81 1.646 -10.735 9.315 1.00 0.00 O ATOM 1260 ND2 ASN A 81 2.227 -9.068 10.703 1.00 0.00 N ATOM 0 H ASN A 81 5.996 -9.122 8.882 1.00 0.00 H new ATOM 0 HA ASN A 81 5.641 -11.303 9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.717 -11.859 10.587 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.346 -10.301 11.084 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.325 -8.604 10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.941 -8.662 11.307 1.00 0.00 H new ATOM 1267 N LEU A 82 4.425 -11.161 6.639 1.00 0.00 N ATOM 1268 CA LEU A 82 3.824 -11.750 5.447 1.00 0.00 C ATOM 1269 C LEU A 82 4.535 -13.042 5.060 1.00 0.00 C ATOM 1270 O LEU A 82 5.595 -13.366 5.597 1.00 0.00 O ATOM 1271 CB LEU A 82 3.874 -10.758 4.284 1.00 0.00 C ATOM 1272 CG LEU A 82 3.047 -9.483 4.453 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.136 -8.619 3.205 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.597 -9.825 4.764 1.00 0.00 C ATOM 0 H LEU A 82 5.192 -10.516 6.450 1.00 0.00 H new ATOM 0 HA LEU A 82 2.784 -11.984 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.913 -10.474 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.537 -11.269 3.382 1.00 0.00 H new ATOM 0 HG LEU A 82 3.454 -8.918 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.541 -7.716 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.176 -8.344 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.755 -9.176 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.023 -8.906 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.178 -10.412 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.549 -10.402 5.687 1.00 0.00 H new ATOM 1286 N LYS A 83 3.948 -13.777 4.122 1.00 0.00 N ATOM 1287 CA LYS A 83 4.526 -15.032 3.658 1.00 0.00 C ATOM 1288 C LYS A 83 5.457 -14.798 2.473 1.00 0.00 C ATOM 1289 O LYS A 83 5.364 -13.778 1.789 1.00 0.00 O ATOM 1290 CB LYS A 83 3.419 -16.013 3.264 1.00 0.00 C ATOM 1291 CG LYS A 83 3.852 -17.468 3.307 1.00 0.00 C ATOM 1292 CD LYS A 83 2.678 -18.392 3.584 1.00 0.00 C ATOM 1293 CE LYS A 83 3.124 -19.841 3.705 1.00 0.00 C ATOM 1294 NZ LYS A 83 3.286 -20.485 2.372 1.00 0.00 N ATOM 0 H LYS A 83 3.071 -13.524 3.667 1.00 0.00 H new ATOM 0 HA LYS A 83 5.107 -15.458 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.569 -15.876 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.075 -15.775 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.313 -17.739 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.610 -17.600 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.182 -18.085 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.946 -18.302 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.068 -19.886 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.393 -20.398 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.591 -21.471 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.379 -20.465 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.002 -19.969 1.822 1.00 0.00 H new ATOM 1308 N LYS A 84 6.354 -15.748 2.234 1.00 0.00 N ATOM 1309 CA LYS A 84 7.301 -15.647 1.130 1.00 0.00 C ATOM 1310 C LYS A 84 6.881 -16.544 -0.031 1.00 0.00 C ATOM 1311 O LYS A 84 6.449 -17.678 0.173 1.00 0.00 O ATOM 1312 CB LYS A 84 8.707 -16.028 1.600 1.00 0.00 C ATOM 1313 CG LYS A 84 9.070 -15.455 2.959 1.00 0.00 C ATOM 1314 CD LYS A 84 10.300 -16.132 3.539 1.00 0.00 C ATOM 1315 CE LYS A 84 10.524 -15.733 4.989 1.00 0.00 C ATOM 1316 NZ LYS A 84 9.815 -16.643 5.931 1.00 0.00 N ATOM 0 H LYS A 84 6.445 -16.598 2.791 1.00 0.00 H new ATOM 0 HA LYS A 84 7.308 -14.613 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.786 -17.114 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.433 -15.683 0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.252 -14.384 2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.230 -15.577 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.187 -17.214 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.176 -15.866 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.592 -15.744 5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.178 -14.711 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.993 -16.337 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.793 -16.613 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.163 -17.615 5.803 1.00 0.00 H new ATOM 1330 N GLY A 85 7.013 -16.028 -1.249 1.00 0.00 N ATOM 1331 CA GLY A 85 6.644 -16.796 -2.424 1.00 0.00 C ATOM 1332 C GLY A 85 5.156 -17.081 -2.487 1.00 0.00 C ATOM 1333 O GLY A 85 4.738 -18.238 -2.501 1.00 0.00 O ATOM 0 H GLY A 85 7.369 -15.092 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.945 -16.252 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.192 -17.738 -2.425 1.00 0.00 H new ATOM 1337 N VAL A 86 4.354 -16.021 -2.523 1.00 0.00 N ATOM 1338 CA VAL A 86 2.904 -16.162 -2.585 1.00 0.00 C ATOM 1339 C VAL A 86 2.233 -14.821 -2.859 1.00 0.00 C ATOM 1340 O VAL A 86 2.690 -13.778 -2.391 1.00 0.00 O ATOM 1341 CB VAL A 86 2.341 -16.748 -1.276 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.651 -15.830 -0.104 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.843 -16.983 -1.399 1.00 0.00 C ATOM 0 H VAL A 86 4.684 -15.056 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 86 2.687 -16.847 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 86 2.822 -17.708 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.246 -16.260 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.731 -15.718 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.199 -14.853 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.462 -17.397 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.342 -16.038 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.650 -17.683 -2.212 1.00 0.00 H new ATOM 1353 N THR A 87 1.144 -14.855 -3.621 1.00 0.00 N ATOM 1354 CA THR A 87 0.409 -13.643 -3.958 1.00 0.00 C ATOM 1355 C THR A 87 -0.466 -13.188 -2.795 1.00 0.00 C ATOM 1356 O THR A 87 -0.980 -14.009 -2.035 1.00 0.00 O ATOM 1357 CB THR A 87 -0.477 -13.850 -5.201 1.00 0.00 C ATOM 1358 OG1 THR A 87 0.212 -14.656 -6.164 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.854 -12.515 -5.825 1.00 0.00 C ATOM 0 H THR A 87 0.752 -15.710 -4.016 1.00 0.00 H new ATOM 0 HA THR A 87 1.151 -12.874 -4.173 1.00 0.00 H new ATOM 0 HB THR A 87 -1.390 -14.358 -4.890 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.358 -14.785 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.480 -12.687 -6.701 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.403 -11.916 -5.099 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.050 -11.984 -6.123 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.631 -11.877 -2.663 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.442 -11.313 -1.590 1.00 0.00 C ATOM 1369 C TYR A 88 -2.349 -10.205 -2.118 1.00 0.00 C ATOM 1370 O TYR A 88 -1.898 -9.305 -2.825 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.546 -10.767 -0.477 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.190 -11.796 0.572 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.084 -12.122 1.585 1.00 0.00 C ATOM 1374 CD2 TYR A 88 1.041 -12.441 0.552 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.762 -13.061 2.546 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.370 -13.381 1.508 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.465 -13.688 2.503 1.00 0.00 C ATOM 1378 OH TYR A 88 0.790 -14.623 3.459 1.00 0.00 O ATOM 0 H TYR A 88 -0.214 -11.185 -3.285 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.068 -12.109 -1.185 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.371 -10.378 -0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.049 -9.928 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.046 -11.633 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.752 -12.203 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.468 -13.303 3.327 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.331 -13.873 1.477 1.00 0.00 H new ATOM 0 HH TYR A 88 0.391 -15.486 3.222 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.629 -10.280 -1.767 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.599 -9.283 -2.206 1.00 0.00 C ATOM 1390 C GLU A 89 -4.844 -8.245 -1.114 1.00 0.00 C ATOM 1391 O GLU A 89 -5.043 -8.589 0.051 1.00 0.00 O ATOM 1392 CB GLU A 89 -5.919 -9.958 -2.588 1.00 0.00 C ATOM 1393 CG GLU A 89 -6.976 -8.988 -3.088 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.333 -9.642 -3.260 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -9.021 -9.858 -2.240 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -8.707 -9.938 -4.414 1.00 0.00 O ATOM 0 H GLU A 89 -4.018 -11.019 -1.181 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.191 -8.776 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.726 -10.702 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.309 -10.492 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.063 -8.158 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.656 -8.567 -4.041 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.827 -6.974 -1.501 1.00 0.00 N ATOM 1404 CA ILE A 90 -5.047 -5.886 -0.557 1.00 0.00 C ATOM 1405 C ILE A 90 -5.822 -4.744 -1.205 1.00 0.00 C ATOM 1406 O ILE A 90 -5.641 -4.447 -2.386 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.716 -5.340 -0.006 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.787 -6.494 0.379 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.969 -4.435 1.190 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.938 -6.995 -0.768 1.00 0.00 C ATOM 0 H ILE A 90 -4.663 -6.673 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.631 -6.297 0.267 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.231 -4.752 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.134 -6.169 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.386 -7.319 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.019 -4.057 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.597 -3.598 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.472 -5.001 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.305 -7.812 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.584 -7.351 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.312 -6.183 -1.139 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.686 -4.104 -0.424 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.488 -2.992 -0.919 1.00 0.00 C ATOM 1424 C LYS A 91 -7.647 -1.917 0.152 1.00 0.00 C ATOM 1425 O LYS A 91 -8.038 -2.206 1.283 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.864 -3.488 -1.368 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.612 -4.260 -0.294 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.308 -5.747 -0.364 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.136 -6.533 0.642 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.479 -6.883 0.102 1.00 0.00 N ATOM 0 H LYS A 91 -6.849 -4.337 0.556 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.970 -2.555 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.467 -2.633 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.743 -4.125 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.337 -3.877 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.684 -4.101 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.511 -6.114 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.248 -5.912 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.605 -7.445 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.253 -5.947 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.012 -7.418 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.996 -6.012 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.369 -7.464 -0.754 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.343 -0.675 -0.213 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.456 0.443 0.716 1.00 0.00 C ATOM 1446 C VAL A 92 -8.895 0.937 0.810 1.00 0.00 C ATOM 1447 O VAL A 92 -9.595 1.035 -0.198 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.549 1.615 0.296 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.829 2.841 1.152 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.084 1.214 0.387 1.00 0.00 C ATOM 0 H VAL A 92 -7.017 -0.418 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.137 0.077 1.692 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.769 1.868 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.179 3.658 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.870 3.139 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.639 2.605 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.458 2.054 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.847 0.933 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.897 0.367 -0.274 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.330 1.248 2.026 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.687 1.731 2.252 1.00 0.00 C ATOM 1462 C ARG A 93 -10.717 2.757 3.381 1.00 0.00 C ATOM 1463 O ARG A 93 -10.392 2.461 4.531 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.619 0.564 2.584 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.104 -0.328 3.701 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.124 -1.388 4.083 1.00 0.00 C ATOM 1467 NE ARG A 93 -12.280 -2.399 3.040 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.078 -3.455 3.153 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -13.790 -3.637 4.257 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -13.165 -4.331 2.160 1.00 0.00 N ATOM 0 H ARG A 93 -8.763 1.174 2.870 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.032 2.212 1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.595 0.959 2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.766 -0.039 1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.178 -0.809 3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.866 0.281 4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.816 -1.869 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.086 -0.913 4.274 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.747 -2.288 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.726 -2.965 5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.402 -4.449 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.619 -4.194 1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.778 -5.142 2.247 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.117 3.993 3.048 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.200 5.088 4.019 1.00 0.00 C ATOM 1486 C PRO A 94 -12.330 4.888 5.023 1.00 0.00 C ATOM 1487 O PRO A 94 -13.504 5.051 4.691 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.470 6.317 3.147 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.124 5.775 1.923 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.519 4.418 1.696 1.00 0.00 C ATOM 0 HA PRO A 94 -10.295 5.167 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.116 7.031 3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.546 6.841 2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.203 5.703 2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.951 6.427 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.237 3.727 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.666 4.467 1.020 1.00 0.00 H new ATOM 1498 N TYR A 95 -11.968 4.535 6.251 1.00 0.00 N ATOM 1499 CA TYR A 95 -12.952 4.310 7.303 1.00 0.00 C ATOM 1500 C TYR A 95 -12.854 5.387 8.380 1.00 0.00 C ATOM 1501 O TYR A 95 -11.773 5.907 8.658 1.00 0.00 O ATOM 1502 CB TYR A 95 -12.755 2.929 7.929 1.00 0.00 C ATOM 1503 CG TYR A 95 -11.821 2.931 9.118 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.288 3.225 10.393 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.471 2.639 8.967 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.438 3.228 11.483 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.614 2.639 10.050 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.102 2.934 11.306 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.252 2.936 12.388 1.00 0.00 O ATOM 0 H TYR A 95 -11.000 4.398 6.543 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.944 4.359 6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.724 2.538 8.240 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.365 2.249 7.172 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.334 3.455 10.535 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.085 2.408 7.985 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.818 3.459 12.467 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.567 2.409 9.914 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.346 2.708 12.093 1.00 0.00 H new ATOM 1519 N PHE A 96 -13.992 5.718 8.982 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.036 6.733 10.028 1.00 0.00 C ATOM 1521 C PHE A 96 -14.226 6.092 11.400 1.00 0.00 C ATOM 1522 O PHE A 96 -13.288 6.004 12.191 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.167 7.727 9.756 1.00 0.00 C ATOM 1524 CG PHE A 96 -15.371 8.721 10.863 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -14.362 8.977 11.777 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -16.573 9.398 10.991 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -14.546 9.891 12.797 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -16.764 10.313 12.009 1.00 0.00 C ATOM 1529 CZ PHE A 96 -15.749 10.559 12.914 1.00 0.00 C ATOM 0 H PHE A 96 -14.896 5.298 8.763 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.085 7.265 10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -14.954 8.264 8.832 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.094 7.176 9.598 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -13.420 8.456 11.691 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.370 9.209 10.287 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -13.750 10.083 13.502 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.705 10.835 12.097 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.896 11.272 13.711 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.448 5.647 11.674 1.00 0.00 N ATOM 1540 CA ASN A 97 -15.763 5.016 12.950 1.00 0.00 C ATOM 1541 C ASN A 97 -15.899 3.505 12.791 1.00 0.00 C ATOM 1542 O ASN A 97 -15.102 2.740 13.332 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.056 5.598 13.526 1.00 0.00 C ATOM 1544 CG ASN A 97 -16.803 6.794 14.423 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -15.665 7.238 14.578 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -17.866 7.322 15.019 1.00 0.00 N ATOM 0 H ASN A 97 -16.236 5.712 11.030 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.943 5.219 13.639 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.714 5.893 12.709 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.578 4.827 14.092 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.758 8.128 15.634 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.791 6.921 14.862 1.00 0.00 H new ATOM 1553 N GLU A 98 -16.915 3.083 12.044 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.156 1.663 11.814 1.00 0.00 C ATOM 1555 C GLU A 98 -17.327 1.375 10.325 1.00 0.00 C ATOM 1556 O GLU A 98 -16.893 0.334 9.829 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.398 1.203 12.580 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.072 -0.014 11.970 1.00 0.00 C ATOM 1559 CD GLU A 98 -19.762 -0.880 13.006 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -20.652 -0.364 13.714 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -19.412 -2.074 13.109 1.00 0.00 O ATOM 0 H GLU A 98 -17.584 3.704 11.588 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.289 1.110 12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.117 0.975 13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.115 2.023 12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.803 0.313 11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -18.328 -0.610 11.441 1.00 0.00 H new ATOM 1568 N PHE A 99 -17.962 2.303 9.618 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.192 2.149 8.186 1.00 0.00 C ATOM 1570 C PHE A 99 -16.895 2.333 7.404 1.00 0.00 C ATOM 1571 O PHE A 99 -15.906 2.841 7.932 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.238 3.157 7.705 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.141 4.493 8.386 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -19.715 4.694 9.631 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.477 5.547 7.780 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -19.627 5.921 10.260 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.386 6.777 8.405 1.00 0.00 C ATOM 1578 CZ PHE A 99 -18.963 6.964 9.645 1.00 0.00 C ATOM 0 H PHE A 99 -18.327 3.170 10.013 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.562 1.139 8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.128 3.297 6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.233 2.744 7.872 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.237 3.882 10.115 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.026 5.406 6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.077 6.064 11.231 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -17.864 7.591 7.923 1.00 0.00 H new ATOM 0 HZ PHE A 99 -18.895 7.925 10.134 1.00 0.00 H new ATOM 1588 N GLN A 100 -16.908 1.915 6.142 1.00 0.00 N ATOM 1589 CA GLN A 100 -15.732 2.031 5.287 1.00 0.00 C ATOM 1590 C GLN A 100 -16.118 2.518 3.894 1.00 0.00 C ATOM 1591 O GLN A 100 -17.027 1.976 3.267 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.011 0.686 5.189 1.00 0.00 C ATOM 1593 CG GLN A 100 -15.918 -0.461 4.773 1.00 0.00 C ATOM 1594 CD GLN A 100 -16.217 -0.459 3.286 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -17.376 -0.496 2.874 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -15.169 -0.416 2.472 1.00 0.00 N ATOM 0 H GLN A 100 -17.719 1.493 5.689 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.060 2.763 5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.195 0.772 4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.563 0.452 6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.449 -1.407 5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.854 -0.399 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.225 -0.386 2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.308 -0.413 1.462 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.421 3.545 3.417 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.706 4.087 2.102 1.00 0.00 C ATOM 1607 C GLY A 101 -15.563 3.052 1.004 1.00 0.00 C ATOM 1608 O GLY A 101 -15.513 1.853 1.275 1.00 0.00 O ATOM 0 H GLY A 101 -14.664 4.011 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.720 4.487 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.032 4.920 1.902 1.00 0.00 H new ATOM 1612 N MET A 102 -15.499 3.516 -0.240 1.00 0.00 N ATOM 1613 CA MET A 102 -15.361 2.621 -1.383 1.00 0.00 C ATOM 1614 C MET A 102 -13.983 1.967 -1.399 1.00 0.00 C ATOM 1615 O MET A 102 -12.967 2.634 -1.199 1.00 0.00 O ATOM 1616 CB MET A 102 -15.590 3.385 -2.688 1.00 0.00 C ATOM 1617 CG MET A 102 -17.048 3.431 -3.117 1.00 0.00 C ATOM 1618 SD MET A 102 -17.258 4.057 -4.795 1.00 0.00 S ATOM 1619 CE MET A 102 -16.271 5.550 -4.726 1.00 0.00 C ATOM 0 H MET A 102 -15.540 4.506 -0.482 1.00 0.00 H new ATOM 0 HA MET A 102 -16.114 1.839 -1.292 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.221 4.404 -2.572 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.001 2.921 -3.479 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.474 2.430 -3.051 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.607 4.062 -2.425 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.818 6.369 -5.192 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.061 5.800 -3.686 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.333 5.391 -5.258 1.00 0.00 H new ATOM 1629 N ASP A 103 -13.955 0.660 -1.637 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.701 -0.083 -1.679 1.00 0.00 C ATOM 1631 C ASP A 103 -12.096 -0.049 -3.079 1.00 0.00 C ATOM 1632 O ASP A 103 -12.751 -0.407 -4.058 1.00 0.00 O ATOM 1633 CB ASP A 103 -12.927 -1.531 -1.243 1.00 0.00 C ATOM 1634 CG ASP A 103 -13.941 -1.647 -0.121 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -15.097 -1.219 -0.320 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -13.577 -2.165 0.955 1.00 0.00 O ATOM 0 H ASP A 103 -14.787 0.093 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.003 0.391 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -13.267 -2.116 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.980 -1.962 -0.919 1.00 0.00 H new ATOM 1641 N SER A 104 -10.843 0.386 -3.166 1.00 0.00 N ATOM 1642 CA SER A 104 -10.151 0.472 -4.447 1.00 0.00 C ATOM 1643 C SER A 104 -10.037 -0.904 -5.096 1.00 0.00 C ATOM 1644 O SER A 104 -10.309 -1.924 -4.464 1.00 0.00 O ATOM 1645 CB SER A 104 -8.759 1.077 -4.259 1.00 0.00 C ATOM 1646 OG SER A 104 -8.223 1.516 -5.495 1.00 0.00 O ATOM 0 H SER A 104 -10.286 0.684 -2.365 1.00 0.00 H new ATOM 0 HA SER A 104 -10.734 1.117 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.814 1.915 -3.565 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.094 0.337 -3.813 1.00 0.00 H new ATOM 0 HG SER A 104 -8.438 2.463 -5.627 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.632 -0.923 -6.362 1.00 0.00 N ATOM 1653 CA GLU A 105 -9.482 -2.174 -7.097 1.00 0.00 C ATOM 1654 C GLU A 105 -8.444 -3.074 -6.433 1.00 0.00 C ATOM 1655 O GLU A 105 -7.241 -2.906 -6.634 1.00 0.00 O ATOM 1656 CB GLU A 105 -9.078 -1.894 -8.546 1.00 0.00 C ATOM 1657 CG GLU A 105 -10.008 -0.929 -9.262 1.00 0.00 C ATOM 1658 CD GLU A 105 -9.675 -0.780 -10.733 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -8.720 -0.041 -11.053 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -10.367 -1.402 -11.565 1.00 0.00 O ATOM 0 H GLU A 105 -9.402 -0.087 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.443 -2.689 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.066 -1.488 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.052 -2.835 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.036 -1.278 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.953 0.047 -8.780 1.00 0.00 H new ATOM 1667 N SER A 106 -8.919 -4.030 -5.641 1.00 0.00 N ATOM 1668 CA SER A 106 -8.033 -4.954 -4.943 1.00 0.00 C ATOM 1669 C SER A 106 -6.843 -5.332 -5.820 1.00 0.00 C ATOM 1670 O SER A 106 -7.009 -5.877 -6.911 1.00 0.00 O ATOM 1671 CB SER A 106 -8.797 -6.214 -4.531 1.00 0.00 C ATOM 1672 OG SER A 106 -9.359 -6.862 -5.659 1.00 0.00 O ATOM 0 H SER A 106 -9.912 -4.185 -5.467 1.00 0.00 H new ATOM 0 HA SER A 106 -7.660 -4.455 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.124 -6.898 -4.013 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.587 -5.950 -3.828 1.00 0.00 H new ATOM 0 HG SER A 106 -8.746 -6.786 -6.419 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.641 -5.040 -5.334 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.421 -5.349 -6.070 1.00 0.00 C ATOM 1680 C LYS A 107 -3.725 -6.572 -5.481 1.00 0.00 C ATOM 1681 O LYS A 107 -3.789 -6.815 -4.276 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.471 -4.149 -6.050 1.00 0.00 C ATOM 1683 CG LYS A 107 -4.074 -2.886 -6.638 1.00 0.00 C ATOM 1684 CD LYS A 107 -4.127 -2.947 -8.156 1.00 0.00 C ATOM 1685 CE LYS A 107 -2.856 -2.393 -8.780 1.00 0.00 C ATOM 1686 NZ LYS A 107 -3.016 -2.150 -10.241 1.00 0.00 N ATOM 0 H LYS A 107 -5.486 -4.589 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.695 -5.571 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.169 -3.952 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.567 -4.402 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.080 -2.744 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.486 -2.022 -6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.270 -3.979 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.987 -2.380 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.584 -1.461 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.036 -3.092 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.128 -1.773 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.250 -3.044 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.781 -1.463 -10.397 1.00 0.00 H new ATOM 1700 N THR A 108 -3.059 -7.338 -6.339 1.00 0.00 N ATOM 1701 CA THR A 108 -2.351 -8.536 -5.904 1.00 0.00 C ATOM 1702 C THR A 108 -0.844 -8.308 -5.888 1.00 0.00 C ATOM 1703 O THR A 108 -0.290 -7.692 -6.799 1.00 0.00 O ATOM 1704 CB THR A 108 -2.668 -9.737 -6.814 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.688 -9.323 -8.184 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.008 -10.356 -6.446 1.00 0.00 C ATOM 0 H THR A 108 -2.995 -7.150 -7.340 1.00 0.00 H new ATOM 0 HA THR A 108 -2.693 -8.756 -4.893 1.00 0.00 H new ATOM 0 HB THR A 108 -1.889 -10.486 -6.673 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.889 -10.093 -8.756 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.210 -11.202 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.979 -10.698 -5.411 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.796 -9.612 -6.560 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.185 -8.809 -4.849 1.00 0.00 N ATOM 1715 CA VAL A 109 1.259 -8.662 -4.716 1.00 0.00 C ATOM 1716 C VAL A 109 1.935 -10.016 -4.530 1.00 0.00 C ATOM 1717 O VAL A 109 1.578 -10.782 -3.635 1.00 0.00 O ATOM 1718 CB VAL A 109 1.624 -7.752 -3.528 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.308 -8.442 -2.209 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.090 -7.353 -3.593 1.00 0.00 C ATOM 0 H VAL A 109 -0.629 -9.321 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 109 1.616 -8.204 -5.638 1.00 0.00 H new ATOM 0 HB VAL A 109 1.022 -6.846 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.573 -7.784 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.243 -8.671 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.881 -9.366 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.330 -6.710 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.712 -8.247 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.280 -6.815 -4.522 1.00 0.00 H new ATOM 1730 N ARG A 110 2.913 -10.304 -5.382 1.00 0.00 N ATOM 1731 CA ARG A 110 3.639 -11.567 -5.313 1.00 0.00 C ATOM 1732 C ARG A 110 4.974 -11.388 -4.594 1.00 0.00 C ATOM 1733 O ARG A 110 5.904 -10.783 -5.129 1.00 0.00 O ATOM 1734 CB ARG A 110 3.876 -12.122 -6.719 1.00 0.00 C ATOM 1735 CG ARG A 110 4.062 -13.630 -6.755 1.00 0.00 C ATOM 1736 CD ARG A 110 4.576 -14.095 -8.108 1.00 0.00 C ATOM 1737 NE ARG A 110 6.012 -13.869 -8.255 1.00 0.00 N ATOM 1738 CZ ARG A 110 6.664 -14.008 -9.404 1.00 0.00 C ATOM 1739 NH1 ARG A 110 6.012 -14.370 -10.501 1.00 0.00 N ATOM 1740 NH2 ARG A 110 7.970 -13.784 -9.458 1.00 0.00 N ATOM 0 H ARG A 110 3.221 -9.680 -6.128 1.00 0.00 H new ATOM 0 HA ARG A 110 3.033 -12.275 -4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.032 -11.853 -7.354 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.759 -11.645 -7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.762 -13.930 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.113 -14.120 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.361 -15.156 -8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.043 -13.568 -8.899 1.00 0.00 H new ATOM 0 HE ARG A 110 6.543 -13.589 -7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.007 -14.542 -10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.515 -14.476 -11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.475 -13.505 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.470 -13.891 -10.341 1.00 0.00 H new ATOM 1754 N THR A 111 5.060 -11.918 -3.378 1.00 0.00 N ATOM 1755 CA THR A 111 6.279 -11.816 -2.585 1.00 0.00 C ATOM 1756 C THR A 111 7.322 -12.827 -3.047 1.00 0.00 C ATOM 1757 O THR A 111 7.197 -14.025 -2.792 1.00 0.00 O ATOM 1758 CB THR A 111 5.995 -12.036 -1.087 1.00 0.00 C ATOM 1759 OG1 THR A 111 5.438 -13.340 -0.881 1.00 0.00 O ATOM 1760 CG2 THR A 111 5.037 -10.980 -0.557 1.00 0.00 C ATOM 0 H THR A 111 4.300 -12.422 -2.921 1.00 0.00 H new ATOM 0 HA THR A 111 6.666 -10.807 -2.729 1.00 0.00 H new ATOM 0 HB THR A 111 6.937 -11.954 -0.545 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.250 -13.469 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.851 -11.156 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.476 -9.991 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.096 -11.035 -1.104 1.00 0.00 H new ATOM 1768 N THR A 112 8.353 -12.337 -3.729 1.00 0.00 N ATOM 1769 CA THR A 112 9.418 -13.198 -4.227 1.00 0.00 C ATOM 1770 C THR A 112 9.903 -14.155 -3.144 1.00 0.00 C ATOM 1771 O THR A 112 9.543 -14.018 -1.976 1.00 0.00 O ATOM 1772 CB THR A 112 10.613 -12.374 -4.741 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.571 -13.236 -5.365 1.00 0.00 O ATOM 1774 CG2 THR A 112 11.275 -11.613 -3.601 1.00 0.00 C ATOM 0 H THR A 112 8.473 -11.348 -3.949 1.00 0.00 H new ATOM 0 HA THR A 112 9.000 -13.772 -5.054 1.00 0.00 H new ATOM 0 HB THR A 112 10.243 -11.655 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 112 12.327 -12.704 -5.691 1.00 0.00 H new ATOM 0 HG21 THR A 112 12.116 -11.038 -3.988 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.551 -10.936 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.632 -12.319 -2.851 1.00 0.00 H new ATOM 1782 N GLU A 113 10.723 -15.124 -3.541 1.00 0.00 N ATOM 1783 CA GLU A 113 11.257 -16.104 -2.602 1.00 0.00 C ATOM 1784 C GLU A 113 12.745 -15.867 -2.356 1.00 0.00 C ATOM 1785 O GLU A 113 13.185 -15.757 -1.212 1.00 0.00 O ATOM 1786 CB GLU A 113 11.036 -17.522 -3.131 1.00 0.00 C ATOM 1787 CG GLU A 113 9.621 -18.035 -2.925 1.00 0.00 C ATOM 1788 CD GLU A 113 9.507 -19.533 -3.131 1.00 0.00 C ATOM 1789 OE1 GLU A 113 9.312 -19.960 -4.288 1.00 0.00 O ATOM 1790 OE2 GLU A 113 9.613 -20.278 -2.135 1.00 0.00 O ATOM 0 H GLU A 113 11.031 -15.251 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 113 10.727 -15.990 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 113 11.270 -17.544 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.734 -18.198 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.291 -17.785 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.950 -17.525 -3.616 1.00 0.00 H new ATOM 1797 N GLU A 114 13.513 -15.790 -3.438 1.00 0.00 N ATOM 1798 CA GLU A 114 14.951 -15.568 -3.340 1.00 0.00 C ATOM 1799 C GLU A 114 15.250 -14.151 -2.860 1.00 0.00 C ATOM 1800 O GLU A 114 14.788 -13.174 -3.450 1.00 0.00 O ATOM 1801 CB GLU A 114 15.621 -15.813 -4.693 1.00 0.00 C ATOM 1802 CG GLU A 114 17.124 -16.019 -4.599 1.00 0.00 C ATOM 1803 CD GLU A 114 17.503 -17.107 -3.613 1.00 0.00 C ATOM 1804 OE1 GLU A 114 17.582 -16.810 -2.403 1.00 0.00 O ATOM 1805 OE2 GLU A 114 17.721 -18.256 -4.053 1.00 0.00 O ATOM 0 H GLU A 114 13.164 -15.878 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 114 15.353 -16.272 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.171 -16.690 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.419 -14.965 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.514 -16.275 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.597 -15.083 -4.302 1.00 0.00 H new ATOM 1812 N SER A 115 16.027 -14.047 -1.786 1.00 0.00 N ATOM 1813 CA SER A 115 16.385 -12.750 -1.224 1.00 0.00 C ATOM 1814 C SER A 115 17.408 -12.040 -2.106 1.00 0.00 C ATOM 1815 O SER A 115 18.544 -12.490 -2.244 1.00 0.00 O ATOM 1816 CB SER A 115 16.945 -12.921 0.189 1.00 0.00 C ATOM 1817 OG SER A 115 18.098 -13.745 0.186 1.00 0.00 O ATOM 0 H SER A 115 16.420 -14.845 -1.288 1.00 0.00 H new ATOM 0 HA SER A 115 15.483 -12.139 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 115 17.193 -11.945 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 115 16.183 -13.359 0.835 1.00 0.00 H new ATOM 0 HG SER A 115 18.629 -13.562 -0.617 1.00 0.00 H new ATOM 1823 N GLY A 116 16.994 -10.926 -2.702 1.00 0.00 N ATOM 1824 CA GLY A 116 17.885 -10.170 -3.563 1.00 0.00 C ATOM 1825 C GLY A 116 17.253 -8.888 -4.068 1.00 0.00 C ATOM 1826 O GLY A 116 16.808 -8.799 -5.213 1.00 0.00 O ATOM 0 H GLY A 116 16.058 -10.534 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 116 18.797 -9.931 -3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 116 18.175 -10.788 -4.413 1.00 0.00 H new ATOM 1830 N PRO A 117 17.206 -7.865 -3.202 1.00 0.00 N ATOM 1831 CA PRO A 117 16.625 -6.564 -3.544 1.00 0.00 C ATOM 1832 C PRO A 117 17.474 -5.798 -4.553 1.00 0.00 C ATOM 1833 O PRO A 117 18.643 -6.118 -4.766 1.00 0.00 O ATOM 1834 CB PRO A 117 16.593 -5.826 -2.203 1.00 0.00 C ATOM 1835 CG PRO A 117 17.674 -6.459 -1.397 1.00 0.00 C ATOM 1836 CD PRO A 117 17.718 -7.901 -1.821 1.00 0.00 C ATOM 0 HA PRO A 117 15.647 -6.665 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 117 16.770 -4.759 -2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 117 15.623 -5.931 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 117 18.632 -5.970 -1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 117 17.467 -6.372 -0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 117 18.731 -8.302 -1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 117 17.099 -8.528 -1.179 1.00 0.00 H new ATOM 1844 N SER A 118 16.877 -4.784 -5.172 1.00 0.00 N ATOM 1845 CA SER A 118 17.577 -3.974 -6.162 1.00 0.00 C ATOM 1846 C SER A 118 17.523 -2.495 -5.790 1.00 0.00 C ATOM 1847 O SER A 118 16.447 -1.934 -5.587 1.00 0.00 O ATOM 1848 CB SER A 118 16.968 -4.186 -7.549 1.00 0.00 C ATOM 1849 OG SER A 118 17.447 -3.221 -8.469 1.00 0.00 O ATOM 0 H SER A 118 15.910 -4.504 -5.005 1.00 0.00 H new ATOM 0 HA SER A 118 18.621 -4.288 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 118 17.211 -5.186 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 118 15.882 -4.125 -7.486 1.00 0.00 H new ATOM 0 HG SER A 118 17.044 -3.379 -9.348 1.00 0.00 H new ATOM 1855 N SER A 119 18.693 -1.870 -5.705 1.00 0.00 N ATOM 1856 CA SER A 119 18.780 -0.457 -5.354 1.00 0.00 C ATOM 1857 C SER A 119 19.935 0.215 -6.090 1.00 0.00 C ATOM 1858 O SER A 119 20.924 -0.430 -6.437 1.00 0.00 O ATOM 1859 CB SER A 119 18.960 -0.295 -3.843 1.00 0.00 C ATOM 1860 OG SER A 119 20.294 -0.573 -3.456 1.00 0.00 O ATOM 0 H SER A 119 19.593 -2.319 -5.874 1.00 0.00 H new ATOM 0 HA SER A 119 17.850 0.025 -5.656 1.00 0.00 H new ATOM 0 HB2 SER A 119 18.697 0.721 -3.549 1.00 0.00 H new ATOM 0 HB3 SER A 119 18.279 -0.965 -3.318 1.00 0.00 H new ATOM 0 HG SER A 119 20.384 -0.461 -2.487 1.00 0.00 H new ATOM 1866 N GLY A 120 19.802 1.517 -6.325 1.00 0.00 N ATOM 1867 CA GLY A 120 20.841 2.256 -7.018 1.00 0.00 C ATOM 1868 C GLY A 120 20.341 3.574 -7.576 1.00 0.00 C ATOM 1869 O GLY A 120 19.871 3.636 -8.712 1.00 0.00 O ATOM 0 H GLY A 120 18.993 2.073 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.667 2.445 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.235 1.647 -7.831 1.00 0.00 H new TER 1873 GLY A 120