USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 hydrogens (16 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 NoAdj-H: A 91 SUZ HO2 : A 91 SUZ O2 : A 91 SUZ C12 :(short bond) USER MOD Set 1.1: A 4 THR OG1 : rot 180:sc= -0.027 USER MOD Set 1.2: A 87 THR OG1 : rot 81:sc= 0 USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0.149 USER MOD Set 2.2: A 67 ASN : amide:sc= 1.32 K(o=1.5,f=-1.9!) USER MOD Single : A 1 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.67) USER MOD Single : A 1 ASN N :NH3+ -165:sc= 1.25 (180deg=1.02) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.242 K(o=0.24,f=-6.6!) USER MOD Single : A 9 MET CE :methyl -167:sc= -0.0028 (180deg=-0.218) USER MOD Single : A 12 HIS : no HD1:sc= -0.0785 X(o=-0.079,f=-0.3) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 35:sc= 0.455 USER MOD Single : A 22 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.075) USER MOD Single : A 24 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.8!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -118:sc= -0.185 (180deg=-0.999) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 168:sc= 0 (180deg=-0.183) USER MOD Single : A 56 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.63) USER MOD Single : A 58 ASN : amide:sc= 0.655 K(o=0.66,f=-6.4!) USER MOD Single : A 61 ASN : amide:sc= -0.437 K(o=-0.44,f=-6.5!) USER MOD Single : A 64 ASN : amide:sc= -0.0561 K(o=-0.056,f=-1.3!) USER MOD Single : A 65 MET CE :methyl -177:sc= -1.66 (180deg=-1.73) USER MOD Single : A 66 SER OG : rot 114:sc= 1.37 USER MOD Single : A 79 SER OG : rot 90:sc= 1.23 USER MOD Single : A 80 GLN : amide:sc= 0.033 X(o=0.033,f=-0.1) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= 1.84 (180deg=1.2) USER MOD Single : A 91 SUZ C1 :methyl -161:sc= -0.0555 (180deg=-0.833) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.853 13.167 7.721 1.00 0.00 N ATOM 2 CA ASN A 1 3.556 12.965 8.410 1.00 0.00 C ATOM 3 C ASN A 1 2.994 11.584 8.086 1.00 0.00 C ATOM 4 O ASN A 1 2.551 11.329 6.968 1.00 0.00 O ATOM 5 CB ASN A 1 2.559 14.053 8.000 1.00 0.00 C ATOM 6 CG ASN A 1 1.231 13.930 8.724 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.165 13.460 9.863 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.163 14.346 8.067 1.00 0.00 N ATOM 0 H1 ASN A 1 5.344 13.984 8.138 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.441 12.316 7.832 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.685 13.343 6.710 1.00 0.00 H new ATOM 0 HA ASN A 1 3.720 13.032 9.485 1.00 0.00 H new ATOM 0 HB2 ASN A 1 2.991 15.032 8.205 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.389 13.998 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.758 14.285 8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.260 14.729 7.126 1.00 0.00 H new ATOM 17 N ILE A 2 3.021 10.693 9.063 1.00 0.00 N ATOM 18 CA ILE A 2 2.527 9.339 8.871 1.00 0.00 C ATOM 19 C ILE A 2 1.048 9.235 9.233 1.00 0.00 C ATOM 20 O ILE A 2 0.647 9.555 10.354 1.00 0.00 O ATOM 21 CB ILE A 2 3.337 8.339 9.712 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.828 8.457 9.387 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.850 6.926 9.462 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.725 7.779 10.401 1.00 0.00 C ATOM 0 H ILE A 2 3.380 10.883 9.999 1.00 0.00 H new ATOM 0 HA ILE A 2 2.645 9.094 7.815 1.00 0.00 H new ATOM 0 HB ILE A 2 3.193 8.573 10.767 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.012 8.024 8.404 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.096 9.512 9.326 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.432 6.229 10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.798 6.850 9.735 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.969 6.681 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.767 7.904 10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.570 8.228 11.382 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.485 6.717 10.446 1.00 0.00 H new ATOM 36 N ILE A 3 0.244 8.782 8.278 1.00 0.00 N ATOM 37 CA ILE A 3 -1.192 8.640 8.482 1.00 0.00 C ATOM 38 C ILE A 3 -1.653 7.221 8.151 1.00 0.00 C ATOM 39 O ILE A 3 -1.330 6.686 7.091 1.00 0.00 O ATOM 40 CB ILE A 3 -1.982 9.646 7.611 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.548 11.082 7.923 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.482 9.485 7.831 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.225 12.128 7.060 1.00 0.00 C ATOM 0 H ILE A 3 0.565 8.506 7.350 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.390 8.847 9.534 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.763 9.437 6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.760 11.296 8.970 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.469 11.161 7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.020 10.201 7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.783 8.473 7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.717 9.666 8.880 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.866 13.118 7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.992 11.941 6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.304 12.078 7.207 1.00 0.00 H new ATOM 55 N THR A 4 -2.394 6.610 9.065 1.00 0.00 N ATOM 56 CA THR A 4 -2.914 5.267 8.850 1.00 0.00 C ATOM 57 C THR A 4 -4.380 5.341 8.440 1.00 0.00 C ATOM 58 O THR A 4 -5.218 5.858 9.184 1.00 0.00 O ATOM 59 CB THR A 4 -2.768 4.397 10.113 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.420 4.462 10.591 1.00 0.00 O ATOM 61 CG2 THR A 4 -3.132 2.948 9.828 1.00 0.00 C ATOM 0 H THR A 4 -2.648 7.023 9.962 1.00 0.00 H new ATOM 0 HA THR A 4 -2.332 4.804 8.053 1.00 0.00 H new ATOM 0 HB THR A 4 -3.451 4.782 10.870 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.331 3.909 11.395 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.019 2.359 10.738 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.165 2.893 9.486 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.473 2.552 9.056 1.00 0.00 H new ATOM 69 N VAL A 5 -4.683 4.841 7.250 1.00 0.00 N ATOM 70 CA VAL A 5 -6.043 4.871 6.733 1.00 0.00 C ATOM 71 C VAL A 5 -6.680 3.485 6.745 1.00 0.00 C ATOM 72 O VAL A 5 -6.035 2.490 6.418 1.00 0.00 O ATOM 73 CB VAL A 5 -6.094 5.446 5.295 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.499 6.845 5.259 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.374 4.534 4.310 1.00 0.00 C ATOM 0 H VAL A 5 -4.003 4.409 6.624 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.610 5.525 7.395 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.140 5.504 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.543 7.233 4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.066 7.499 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.461 6.807 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.427 4.964 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.330 4.431 4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.849 3.553 4.308 1.00 0.00 H new ATOM 85 N THR A 6 -7.936 3.428 7.154 1.00 0.00 N ATOM 86 CA THR A 6 -8.675 2.176 7.185 1.00 0.00 C ATOM 87 C THR A 6 -9.714 2.185 6.063 1.00 0.00 C ATOM 88 O THR A 6 -10.597 3.046 6.022 1.00 0.00 O ATOM 89 CB THR A 6 -9.340 1.929 8.565 1.00 0.00 C ATOM 90 OG1 THR A 6 -10.123 0.728 8.537 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.215 3.101 8.992 1.00 0.00 C ATOM 0 H THR A 6 -8.468 4.238 7.471 1.00 0.00 H new ATOM 0 HA THR A 6 -7.978 1.353 7.029 1.00 0.00 H new ATOM 0 HB THR A 6 -8.537 1.824 9.295 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.534 0.585 9.415 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.661 2.887 9.963 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.606 4.002 9.063 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.004 3.253 8.256 1.00 0.00 H new ATOM 99 N LEU A 7 -9.590 1.243 5.139 1.00 0.00 N ATOM 100 CA LEU A 7 -10.486 1.179 3.993 1.00 0.00 C ATOM 101 C LEU A 7 -11.457 0.005 4.078 1.00 0.00 C ATOM 102 O LEU A 7 -11.156 -1.029 4.676 1.00 0.00 O ATOM 103 CB LEU A 7 -9.659 1.079 2.712 1.00 0.00 C ATOM 104 CG LEU A 7 -8.513 2.089 2.603 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.549 1.687 1.500 1.00 0.00 C ATOM 106 CD2 LEU A 7 -9.056 3.485 2.351 1.00 0.00 C ATOM 0 H LEU A 7 -8.878 0.513 5.160 1.00 0.00 H new ATOM 0 HA LEU A 7 -11.085 2.090 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.245 0.073 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.323 1.211 1.857 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.970 2.095 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.742 2.417 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.133 0.704 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.079 1.651 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.228 4.190 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.623 3.492 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.707 3.776 3.175 1.00 0.00 H new ATOM 118 N ASN A 8 -12.625 0.189 3.472 1.00 0.00 N ATOM 119 CA ASN A 8 -13.662 -0.835 3.442 1.00 0.00 C ATOM 120 C ASN A 8 -13.522 -1.672 2.179 1.00 0.00 C ATOM 121 O ASN A 8 -13.491 -1.132 1.069 1.00 0.00 O ATOM 122 CB ASN A 8 -15.050 -0.182 3.490 1.00 0.00 C ATOM 123 CG ASN A 8 -16.183 -1.167 3.236 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.544 -1.444 2.088 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.763 -1.696 4.301 1.00 0.00 N ATOM 0 H ASN A 8 -12.879 1.051 2.989 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.549 -1.481 4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.193 0.283 4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.096 0.615 2.748 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.534 -2.355 4.188 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.440 -1.445 5.235 1.00 0.00 H new ATOM 132 N MET A 9 -13.444 -2.986 2.345 1.00 0.00 N ATOM 133 CA MET A 9 -13.295 -3.892 1.213 1.00 0.00 C ATOM 134 C MET A 9 -14.573 -4.690 0.979 1.00 0.00 C ATOM 135 O MET A 9 -14.552 -5.755 0.356 1.00 0.00 O ATOM 136 CB MET A 9 -12.111 -4.835 1.433 1.00 0.00 C ATOM 137 CG MET A 9 -10.759 -4.142 1.336 1.00 0.00 C ATOM 138 SD MET A 9 -10.453 -3.410 -0.286 1.00 0.00 S ATOM 139 CE MET A 9 -10.254 -4.883 -1.284 1.00 0.00 C ATOM 0 H MET A 9 -13.481 -3.449 3.253 1.00 0.00 H new ATOM 0 HA MET A 9 -13.102 -3.291 0.324 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.203 -5.299 2.415 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.153 -5.637 0.696 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.701 -3.363 2.096 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.971 -4.862 1.557 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.835 -4.612 -2.253 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.582 -5.577 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.224 -5.358 -1.428 1.00 0.00 H new ATOM 149 N GLU A 10 -15.687 -4.176 1.482 1.00 0.00 N ATOM 150 CA GLU A 10 -16.972 -4.836 1.309 1.00 0.00 C ATOM 151 C GLU A 10 -17.582 -4.437 -0.026 1.00 0.00 C ATOM 152 O GLU A 10 -17.920 -5.285 -0.848 1.00 0.00 O ATOM 153 CB GLU A 10 -17.925 -4.476 2.450 1.00 0.00 C ATOM 154 CG GLU A 10 -17.454 -4.951 3.813 1.00 0.00 C ATOM 155 CD GLU A 10 -17.025 -6.402 3.806 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.866 -7.278 3.499 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.844 -6.675 4.101 1.00 0.00 O ATOM 0 H GLU A 10 -15.726 -3.305 2.012 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.812 -5.914 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.053 -3.394 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.904 -4.908 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.620 -4.331 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.257 -4.817 4.538 1.00 0.00 H new ATOM 164 N ARG A 11 -17.714 -3.136 -0.238 1.00 0.00 N ATOM 165 CA ARG A 11 -18.273 -2.617 -1.481 1.00 0.00 C ATOM 166 C ARG A 11 -17.162 -2.390 -2.506 1.00 0.00 C ATOM 167 O ARG A 11 -17.415 -2.263 -3.705 1.00 0.00 O ATOM 168 CB ARG A 11 -19.031 -1.313 -1.213 1.00 0.00 C ATOM 169 CG ARG A 11 -19.693 -0.718 -2.446 1.00 0.00 C ATOM 170 CD ARG A 11 -20.393 0.590 -2.121 1.00 0.00 C ATOM 171 NE ARG A 11 -20.622 1.402 -3.315 1.00 0.00 N ATOM 172 CZ ARG A 11 -21.250 2.578 -3.308 1.00 0.00 C ATOM 173 NH1 ARG A 11 -21.743 3.068 -2.174 1.00 0.00 N ATOM 174 NH2 ARG A 11 -21.386 3.262 -4.439 1.00 0.00 N ATOM 0 H ARG A 11 -17.442 -2.419 0.434 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.972 -3.349 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.794 -1.497 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -18.339 -0.581 -0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.943 -0.549 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.414 -1.427 -2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -21.347 0.380 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.792 1.155 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.280 1.047 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -21.641 2.544 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -22.223 3.968 -2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.010 2.887 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.866 4.162 -4.436 1.00 0.00 H new ATOM 188 N HIS A 12 -15.931 -2.352 -2.022 1.00 0.00 N ATOM 189 CA HIS A 12 -14.774 -2.139 -2.880 1.00 0.00 C ATOM 190 C HIS A 12 -14.087 -3.462 -3.177 1.00 0.00 C ATOM 191 O HIS A 12 -13.888 -4.281 -2.283 1.00 0.00 O ATOM 192 CB HIS A 12 -13.789 -1.170 -2.223 1.00 0.00 C ATOM 193 CG HIS A 12 -14.236 0.257 -2.282 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.272 1.087 -1.181 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.682 0.997 -3.322 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.723 2.273 -1.544 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.980 2.247 -2.839 1.00 0.00 N ATOM 0 H HIS A 12 -15.705 -2.466 -1.034 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.117 -1.702 -3.818 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.648 -1.457 -1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.819 -1.261 -2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.785 0.666 -4.345 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.859 3.123 -0.891 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.340 3.027 -3.389 1.00 0.00 H new ATOM 206 N HIS A 13 -13.734 -3.668 -4.436 1.00 0.00 N ATOM 207 CA HIS A 13 -13.072 -4.897 -4.850 1.00 0.00 C ATOM 208 C HIS A 13 -11.574 -4.674 -5.011 1.00 0.00 C ATOM 209 O HIS A 13 -10.791 -5.626 -4.994 1.00 0.00 O ATOM 210 CB HIS A 13 -13.672 -5.424 -6.158 1.00 0.00 C ATOM 211 CG HIS A 13 -14.907 -6.254 -5.962 1.00 0.00 C ATOM 212 ND1 HIS A 13 -14.896 -7.631 -5.888 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.200 -5.885 -5.814 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.127 -8.068 -5.709 1.00 0.00 C ATOM 215 NE2 HIS A 13 -16.940 -7.031 -5.658 1.00 0.00 N ATOM 0 H HIS A 13 -13.895 -3.000 -5.190 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.231 -5.643 -4.071 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.911 -4.579 -6.804 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.922 -6.021 -6.677 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.580 -4.874 -5.818 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.421 -9.103 -5.619 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.950 -7.073 -5.525 1.00 0.00 H new ATOM 224 N PHE A 14 -11.177 -3.417 -5.171 1.00 0.00 N ATOM 225 CA PHE A 14 -9.772 -3.083 -5.330 1.00 0.00 C ATOM 226 C PHE A 14 -9.440 -1.785 -4.605 1.00 0.00 C ATOM 227 O PHE A 14 -10.321 -0.961 -4.346 1.00 0.00 O ATOM 228 CB PHE A 14 -9.385 -2.991 -6.816 1.00 0.00 C ATOM 229 CG PHE A 14 -10.159 -1.984 -7.619 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.388 -2.312 -8.170 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.646 -0.720 -7.843 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.092 -1.393 -8.922 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.343 0.203 -8.597 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.569 -0.134 -9.135 1.00 0.00 C ATOM 0 H PHE A 14 -11.808 -2.616 -5.194 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.186 -3.886 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.325 -2.748 -6.884 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.517 -3.973 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.799 -3.298 -8.009 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.688 -0.451 -7.423 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.050 -1.659 -9.343 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.930 1.187 -8.766 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.118 0.587 -9.722 1.00 0.00 H new ATOM 244 N LEU A 15 -8.170 -1.618 -4.268 1.00 0.00 N ATOM 245 CA LEU A 15 -7.708 -0.429 -3.568 1.00 0.00 C ATOM 246 C LEU A 15 -7.463 0.707 -4.554 1.00 0.00 C ATOM 247 O LEU A 15 -7.710 1.873 -4.248 1.00 0.00 O ATOM 248 CB LEU A 15 -6.421 -0.735 -2.794 1.00 0.00 C ATOM 249 CG LEU A 15 -6.535 -1.834 -1.737 1.00 0.00 C ATOM 250 CD1 LEU A 15 -5.154 -2.278 -1.281 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.355 -1.351 -0.550 1.00 0.00 C ATOM 0 H LEU A 15 -7.436 -2.297 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.481 -0.122 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.648 -1.020 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.084 0.180 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.044 -2.688 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.253 -3.061 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.596 -2.664 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.622 -1.429 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.425 -2.147 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.873 -0.481 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.356 -1.079 -0.886 1.00 0.00 H new ATOM 263 N GLY A 16 -6.998 0.347 -5.744 1.00 0.00 N ATOM 264 CA GLY A 16 -6.712 1.327 -6.773 1.00 0.00 C ATOM 265 C GLY A 16 -5.446 2.113 -6.487 1.00 0.00 C ATOM 266 O GLY A 16 -5.476 3.335 -6.462 1.00 0.00 O ATOM 0 H GLY A 16 -6.812 -0.618 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.614 0.823 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.552 2.016 -6.859 1.00 0.00 H new ATOM 270 N ILE A 17 -4.336 1.411 -6.281 1.00 0.00 N ATOM 271 CA ILE A 17 -3.047 2.060 -5.990 1.00 0.00 C ATOM 272 C ILE A 17 -1.889 1.205 -6.476 1.00 0.00 C ATOM 273 O ILE A 17 -1.541 0.211 -5.840 1.00 0.00 O ATOM 274 CB ILE A 17 -2.842 2.326 -4.484 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.511 1.234 -3.645 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.363 3.699 -4.109 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.878 1.047 -2.285 1.00 0.00 C ATOM 0 H ILE A 17 -4.296 0.392 -6.309 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.069 3.014 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.773 2.302 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.565 1.480 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.469 0.291 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.209 3.868 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.827 4.459 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.427 3.759 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.402 0.258 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.831 0.770 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.944 1.978 -1.722 1.00 0.00 H new ATOM 289 N SER A 18 -1.291 1.578 -7.601 1.00 0.00 N ATOM 290 CA SER A 18 -0.186 0.805 -8.143 1.00 0.00 C ATOM 291 C SER A 18 1.078 1.019 -7.315 1.00 0.00 C ATOM 292 O SER A 18 1.560 2.141 -7.152 1.00 0.00 O ATOM 293 CB SER A 18 0.036 1.129 -9.627 1.00 0.00 C ATOM 294 OG SER A 18 0.464 2.469 -9.817 1.00 0.00 O ATOM 0 H SER A 18 -1.549 2.399 -8.148 1.00 0.00 H new ATOM 0 HA SER A 18 -0.441 -0.253 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.780 0.448 -10.040 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.890 0.962 -10.178 1.00 0.00 H new ATOM 0 HG SER A 18 1.039 2.738 -9.070 1.00 0.00 H new ATOM 300 N ILE A 19 1.587 -0.070 -6.765 1.00 0.00 N ATOM 301 CA ILE A 19 2.776 -0.025 -5.928 1.00 0.00 C ATOM 302 C ILE A 19 4.044 0.095 -6.764 1.00 0.00 C ATOM 303 O ILE A 19 4.282 -0.708 -7.670 1.00 0.00 O ATOM 304 CB ILE A 19 2.875 -1.280 -5.037 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.501 -1.633 -4.457 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.889 -1.069 -3.920 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.865 -0.515 -3.655 1.00 0.00 C ATOM 0 H ILE A 19 1.193 -1.003 -6.884 1.00 0.00 H new ATOM 0 HA ILE A 19 2.685 0.859 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 19 3.215 -2.113 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.833 -1.906 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.602 -2.512 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.943 -1.966 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.869 -0.866 -4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.581 -0.224 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.104 -0.843 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.511 -0.256 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.730 0.359 -4.292 1.00 0.00 H new ATOM 319 N VAL A 20 4.844 1.105 -6.462 1.00 0.00 N ATOM 320 CA VAL A 20 6.093 1.337 -7.167 1.00 0.00 C ATOM 321 C VAL A 20 7.269 1.191 -6.206 1.00 0.00 C ATOM 322 O VAL A 20 7.384 1.939 -5.236 1.00 0.00 O ATOM 323 CB VAL A 20 6.122 2.741 -7.814 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.461 3.011 -8.484 1.00 0.00 C ATOM 325 CG2 VAL A 20 4.987 2.895 -8.815 1.00 0.00 C ATOM 0 H VAL A 20 4.647 1.783 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 20 6.173 0.594 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 20 5.988 3.476 -7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.451 4.006 -8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.257 2.954 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.636 2.267 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.026 3.890 -9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.088 2.144 -9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.032 2.762 -8.306 1.00 0.00 H new ATOM 335 N GLY A 21 8.132 0.223 -6.471 1.00 0.00 N ATOM 336 CA GLY A 21 9.278 0.004 -5.617 1.00 0.00 C ATOM 337 C GLY A 21 10.487 0.792 -6.077 1.00 0.00 C ATOM 338 O GLY A 21 10.850 0.751 -7.255 1.00 0.00 O ATOM 0 H GLY A 21 8.059 -0.415 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.028 0.288 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.522 -1.058 -5.602 1.00 0.00 H new ATOM 342 N GLN A 22 11.096 1.524 -5.158 1.00 0.00 N ATOM 343 CA GLN A 22 12.268 2.330 -5.465 1.00 0.00 C ATOM 344 C GLN A 22 13.538 1.573 -5.090 1.00 0.00 C ATOM 345 O GLN A 22 13.712 1.176 -3.935 1.00 0.00 O ATOM 346 CB GLN A 22 12.212 3.658 -4.706 1.00 0.00 C ATOM 347 CG GLN A 22 13.334 4.615 -5.073 1.00 0.00 C ATOM 348 CD GLN A 22 13.432 5.803 -4.136 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.776 6.910 -4.552 1.00 0.00 O ATOM 350 NE2 GLN A 22 13.140 5.587 -2.864 1.00 0.00 N ATOM 0 H GLN A 22 10.795 1.577 -4.185 1.00 0.00 H new ATOM 0 HA GLN A 22 12.279 2.535 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.255 4.140 -4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.252 3.457 -3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.281 4.075 -5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.179 4.974 -6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.859 4.656 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.196 6.351 -2.191 1.00 0.00 H new ATOM 359 N SER A 23 14.410 1.357 -6.057 1.00 0.00 N ATOM 360 CA SER A 23 15.653 0.650 -5.806 1.00 0.00 C ATOM 361 C SER A 23 16.837 1.436 -6.353 1.00 0.00 C ATOM 362 O SER A 23 16.707 2.196 -7.313 1.00 0.00 O ATOM 363 CB SER A 23 15.610 -0.746 -6.437 1.00 0.00 C ATOM 364 OG SER A 23 14.349 -1.356 -6.231 1.00 0.00 O ATOM 0 H SER A 23 14.281 1.660 -7.022 1.00 0.00 H new ATOM 0 HA SER A 23 15.775 0.545 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.813 -0.673 -7.506 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.394 -1.368 -6.006 1.00 0.00 H new ATOM 0 HG SER A 23 14.344 -2.245 -6.643 1.00 0.00 H new ATOM 370 N ASN A 24 17.978 1.269 -5.710 1.00 0.00 N ATOM 371 CA ASN A 24 19.203 1.931 -6.125 1.00 0.00 C ATOM 372 C ASN A 24 20.367 0.963 -5.928 1.00 0.00 C ATOM 373 O ASN A 24 20.181 -0.248 -6.065 1.00 0.00 O ATOM 374 CB ASN A 24 19.410 3.222 -5.324 1.00 0.00 C ATOM 375 CG ASN A 24 20.313 4.224 -6.033 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.420 4.226 -7.259 1.00 0.00 O ATOM 377 ND2 ASN A 24 20.965 5.087 -5.265 1.00 0.00 N ATOM 0 H ASN A 24 18.083 0.673 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 24 19.142 2.209 -7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 24 18.441 3.685 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.841 2.976 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 24 21.580 5.782 -5.688 1.00 0.00 H new ATOM 0 HD22 ASN A 24 20.851 5.055 -4.252 1.00 0.00 H new ATOM 384 N ASP A 25 21.548 1.473 -5.594 1.00 0.00 N ATOM 385 CA ASP A 25 22.712 0.618 -5.379 1.00 0.00 C ATOM 386 C ASP A 25 22.439 -0.359 -4.242 1.00 0.00 C ATOM 387 O ASP A 25 22.701 -1.556 -4.359 1.00 0.00 O ATOM 388 CB ASP A 25 23.959 1.444 -5.049 1.00 0.00 C ATOM 389 CG ASP A 25 24.422 2.303 -6.203 1.00 0.00 C ATOM 390 OD1 ASP A 25 24.435 1.819 -7.351 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.786 3.473 -5.962 1.00 0.00 O ATOM 0 H ASP A 25 21.725 2.469 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 25 22.896 0.069 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.749 2.082 -4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.766 0.772 -4.757 1.00 0.00 H new ATOM 396 N ARG A 26 21.892 0.165 -3.151 1.00 0.00 N ATOM 397 CA ARG A 26 21.568 -0.649 -1.986 1.00 0.00 C ATOM 398 C ARG A 26 20.328 -1.492 -2.260 1.00 0.00 C ATOM 399 O ARG A 26 20.433 -2.683 -2.548 1.00 0.00 O ATOM 400 CB ARG A 26 21.349 0.237 -0.756 1.00 0.00 C ATOM 401 CG ARG A 26 22.562 1.072 -0.376 1.00 0.00 C ATOM 402 CD ARG A 26 23.641 0.230 0.290 1.00 0.00 C ATOM 403 NE ARG A 26 24.852 1.004 0.576 1.00 0.00 N ATOM 404 CZ ARG A 26 25.076 1.661 1.716 1.00 0.00 C ATOM 405 NH1 ARG A 26 24.171 1.646 2.691 1.00 0.00 N ATOM 406 NH2 ARG A 26 26.207 2.338 1.877 1.00 0.00 N ATOM 0 H ARG A 26 21.663 1.154 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 26 22.407 -1.316 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.506 0.902 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.074 -0.393 0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.970 1.547 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.256 1.871 0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.252 -0.188 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.894 -0.611 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 26 25.573 1.043 -0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.299 1.130 2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.349 2.150 3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.902 2.355 1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.381 2.841 2.747 1.00 0.00 H new ATOM 420 N GLY A 27 19.157 -0.868 -2.197 1.00 0.00 N ATOM 421 CA GLY A 27 17.922 -1.588 -2.443 1.00 0.00 C ATOM 422 C GLY A 27 16.803 -1.171 -1.511 1.00 0.00 C ATOM 423 O GLY A 27 15.627 -1.349 -1.827 1.00 0.00 O ATOM 0 H GLY A 27 19.041 0.122 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.610 -1.423 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.102 -2.657 -2.332 1.00 0.00 H new ATOM 427 N ASP A 28 17.165 -0.602 -0.367 1.00 0.00 N ATOM 428 CA ASP A 28 16.183 -0.158 0.627 1.00 0.00 C ATOM 429 C ASP A 28 15.561 1.184 0.247 1.00 0.00 C ATOM 430 O ASP A 28 15.495 2.108 1.060 1.00 0.00 O ATOM 431 CB ASP A 28 16.832 -0.061 2.013 1.00 0.00 C ATOM 432 CG ASP A 28 18.052 0.845 2.037 1.00 0.00 C ATOM 433 OD1 ASP A 28 19.125 0.410 1.573 1.00 0.00 O ATOM 434 OD2 ASP A 28 17.945 1.996 2.513 1.00 0.00 O ATOM 0 H ASP A 28 18.135 -0.435 -0.100 1.00 0.00 H new ATOM 0 HA ASP A 28 15.386 -0.901 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.097 0.310 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.121 -1.059 2.343 1.00 0.00 H new ATOM 439 N GLY A 29 15.091 1.284 -0.985 1.00 0.00 N ATOM 440 CA GLY A 29 14.476 2.512 -1.442 1.00 0.00 C ATOM 441 C GLY A 29 13.075 2.678 -0.885 1.00 0.00 C ATOM 442 O GLY A 29 12.656 3.788 -0.559 1.00 0.00 O ATOM 0 H GLY A 29 15.124 0.536 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.090 3.361 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.438 2.517 -2.531 1.00 0.00 H new ATOM 446 N GLY A 30 12.351 1.574 -0.778 1.00 0.00 N ATOM 447 CA GLY A 30 11.004 1.622 -0.247 1.00 0.00 C ATOM 448 C GLY A 30 9.951 1.590 -1.334 1.00 0.00 C ATOM 449 O GLY A 30 10.233 1.903 -2.493 1.00 0.00 O ATOM 0 H GLY A 30 12.672 0.645 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.852 0.778 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.883 2.529 0.345 1.00 0.00 H new ATOM 453 N ILE A 31 8.739 1.205 -0.962 1.00 0.00 N ATOM 454 CA ILE A 31 7.634 1.139 -1.903 1.00 0.00 C ATOM 455 C ILE A 31 6.755 2.380 -1.778 1.00 0.00 C ATOM 456 O ILE A 31 6.310 2.738 -0.684 1.00 0.00 O ATOM 457 CB ILE A 31 6.777 -0.127 -1.697 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.465 -0.350 -0.213 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.485 -1.342 -2.279 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.354 -1.351 0.030 1.00 0.00 C ATOM 0 H ILE A 31 8.497 0.932 -0.009 1.00 0.00 H new ATOM 0 HA ILE A 31 8.064 1.095 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 31 5.831 0.015 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.368 -0.693 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.189 0.603 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.870 -2.229 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.648 -1.192 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.445 -1.477 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.188 -1.458 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.438 -1.000 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.635 -2.316 -0.391 1.00 0.00 H new ATOM 472 N TYR A 32 6.521 3.038 -2.900 1.00 0.00 N ATOM 473 CA TYR A 32 5.717 4.247 -2.930 1.00 0.00 C ATOM 474 C TYR A 32 4.431 4.029 -3.714 1.00 0.00 C ATOM 475 O TYR A 32 4.314 3.086 -4.502 1.00 0.00 O ATOM 476 CB TYR A 32 6.507 5.396 -3.565 1.00 0.00 C ATOM 477 CG TYR A 32 7.660 5.902 -2.724 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.913 5.302 -2.790 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.498 6.988 -1.878 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.969 5.775 -2.032 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.547 7.464 -1.117 1.00 0.00 C ATOM 482 CZ TYR A 32 9.780 6.855 -1.200 1.00 0.00 C ATOM 483 OH TYR A 32 10.829 7.331 -0.447 1.00 0.00 O ATOM 0 H TYR A 32 6.880 2.752 -3.811 1.00 0.00 H new ATOM 0 HA TYR A 32 5.463 4.503 -1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.894 5.066 -4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.826 6.224 -3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.064 4.455 -3.442 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.534 7.470 -1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.937 5.299 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.402 8.309 -0.460 1.00 0.00 H new ATOM 0 HH TYR A 32 10.529 8.097 0.085 1.00 0.00 H new ATOM 493 N ILE A 33 3.468 4.904 -3.477 1.00 0.00 N ATOM 494 CA ILE A 33 2.192 4.854 -4.167 1.00 0.00 C ATOM 495 C ILE A 33 2.324 5.517 -5.533 1.00 0.00 C ATOM 496 O ILE A 33 2.633 6.708 -5.623 1.00 0.00 O ATOM 497 CB ILE A 33 1.083 5.567 -3.351 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.815 4.819 -2.038 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.199 5.697 -4.170 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.234 3.435 -2.229 1.00 0.00 C ATOM 0 H ILE A 33 3.549 5.666 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 33 1.910 3.808 -4.286 1.00 0.00 H new ATOM 0 HB ILE A 33 1.431 6.571 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.748 4.737 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.131 5.409 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.961 6.200 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.002 6.278 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.554 4.705 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.073 2.971 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.716 3.509 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.926 2.827 -2.811 1.00 0.00 H new ATOM 512 N GLY A 34 2.119 4.739 -6.588 1.00 0.00 N ATOM 513 CA GLY A 34 2.221 5.264 -7.932 1.00 0.00 C ATOM 514 C GLY A 34 0.999 6.063 -8.331 1.00 0.00 C ATOM 515 O GLY A 34 0.891 7.246 -8.019 1.00 0.00 O ATOM 0 H GLY A 34 1.883 3.748 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.106 5.896 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.358 4.440 -8.632 1.00 0.00 H new ATOM 519 N SER A 35 0.069 5.418 -9.012 1.00 0.00 N ATOM 520 CA SER A 35 -1.146 6.082 -9.451 1.00 0.00 C ATOM 521 C SER A 35 -2.372 5.452 -8.799 1.00 0.00 C ATOM 522 O SER A 35 -2.418 4.237 -8.580 1.00 0.00 O ATOM 523 CB SER A 35 -1.256 6.022 -10.974 1.00 0.00 C ATOM 524 OG SER A 35 -0.136 6.645 -11.588 1.00 0.00 O ATOM 0 H SER A 35 0.132 4.434 -9.273 1.00 0.00 H new ATOM 0 HA SER A 35 -1.101 7.127 -9.144 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.322 4.983 -11.297 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.173 6.515 -11.296 1.00 0.00 H new ATOM 0 HG SER A 35 -0.226 6.593 -12.562 1.00 0.00 H new ATOM 530 N ILE A 36 -3.356 6.286 -8.491 1.00 0.00 N ATOM 531 CA ILE A 36 -4.582 5.833 -7.855 1.00 0.00 C ATOM 532 C ILE A 36 -5.680 5.634 -8.895 1.00 0.00 C ATOM 533 O ILE A 36 -5.953 6.523 -9.704 1.00 0.00 O ATOM 534 CB ILE A 36 -5.047 6.836 -6.775 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.939 7.041 -5.737 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.326 6.352 -6.100 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.231 8.135 -4.736 1.00 0.00 C ATOM 0 H ILE A 36 -3.326 7.289 -8.674 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.378 4.878 -7.371 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.259 7.790 -7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.779 6.105 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.009 7.275 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.634 7.074 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.114 6.249 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.145 5.387 -5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.400 8.218 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.361 9.082 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.143 7.894 -4.190 1.00 0.00 H new ATOM 549 N MET A 37 -6.308 4.468 -8.864 1.00 0.00 N ATOM 550 CA MET A 37 -7.360 4.139 -9.818 1.00 0.00 C ATOM 551 C MET A 37 -8.732 4.522 -9.281 1.00 0.00 C ATOM 552 O MET A 37 -9.069 4.225 -8.132 1.00 0.00 O ATOM 553 CB MET A 37 -7.335 2.646 -10.157 1.00 0.00 C ATOM 554 CG MET A 37 -6.067 2.194 -10.865 1.00 0.00 C ATOM 555 SD MET A 37 -5.908 2.889 -12.524 1.00 0.00 S ATOM 556 CE MET A 37 -4.822 4.284 -12.216 1.00 0.00 C ATOM 0 H MET A 37 -6.108 3.731 -8.187 1.00 0.00 H new ATOM 0 HA MET A 37 -7.172 4.714 -10.725 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.449 2.073 -9.237 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.194 2.412 -10.787 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.201 2.484 -10.270 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.060 1.106 -10.929 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.338 5.210 -12.470 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.542 4.301 -11.163 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.925 4.189 -12.828 1.00 0.00 H new ATOM 566 N LYS A 38 -9.514 5.172 -10.131 1.00 0.00 N ATOM 567 CA LYS A 38 -10.857 5.613 -9.781 1.00 0.00 C ATOM 568 C LYS A 38 -11.747 4.415 -9.481 1.00 0.00 C ATOM 569 O LYS A 38 -11.790 3.456 -10.253 1.00 0.00 O ATOM 570 CB LYS A 38 -11.455 6.431 -10.933 1.00 0.00 C ATOM 571 CG LYS A 38 -12.743 7.149 -10.577 1.00 0.00 C ATOM 572 CD LYS A 38 -12.477 8.416 -9.790 1.00 0.00 C ATOM 573 CE LYS A 38 -13.760 9.185 -9.528 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.614 8.518 -8.509 1.00 0.00 N ATOM 0 H LYS A 38 -9.235 5.409 -11.083 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.798 6.238 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.721 7.166 -11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.643 5.767 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.287 7.394 -11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.381 6.485 -9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.002 8.164 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.778 9.047 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.516 10.193 -9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.318 9.286 -10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.479 9.077 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.869 7.566 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.092 8.445 -7.613 1.00 0.00 H new ATOM 588 N GLY A 39 -12.452 4.471 -8.363 1.00 0.00 N ATOM 589 CA GLY A 39 -13.320 3.376 -7.985 1.00 0.00 C ATOM 590 C GLY A 39 -12.693 2.509 -6.918 1.00 0.00 C ATOM 591 O GLY A 39 -13.345 1.633 -6.348 1.00 0.00 O ATOM 0 H GLY A 39 -12.439 5.255 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.268 3.772 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.543 2.769 -8.862 1.00 0.00 H new ATOM 595 N GLY A 40 -11.415 2.749 -6.658 1.00 0.00 N ATOM 596 CA GLY A 40 -10.706 1.989 -5.653 1.00 0.00 C ATOM 597 C GLY A 40 -10.961 2.510 -4.256 1.00 0.00 C ATOM 598 O GLY A 40 -11.411 3.645 -4.079 1.00 0.00 O ATOM 0 H GLY A 40 -10.856 3.461 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.009 0.944 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.637 2.023 -5.862 1.00 0.00 H new ATOM 602 N ALA A 41 -10.672 1.681 -3.266 1.00 0.00 N ATOM 603 CA ALA A 41 -10.869 2.048 -1.870 1.00 0.00 C ATOM 604 C ALA A 41 -10.056 3.285 -1.492 1.00 0.00 C ATOM 605 O ALA A 41 -10.486 4.090 -0.666 1.00 0.00 O ATOM 606 CB ALA A 41 -10.514 0.877 -0.970 1.00 0.00 C ATOM 0 H ALA A 41 -10.297 0.742 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.921 2.297 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.664 1.160 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.152 0.027 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.470 0.603 -1.125 1.00 0.00 H new ATOM 612 N VAL A 42 -8.892 3.443 -2.113 1.00 0.00 N ATOM 613 CA VAL A 42 -8.030 4.587 -1.837 1.00 0.00 C ATOM 614 C VAL A 42 -8.595 5.851 -2.479 1.00 0.00 C ATOM 615 O VAL A 42 -8.530 6.937 -1.900 1.00 0.00 O ATOM 616 CB VAL A 42 -6.595 4.341 -2.341 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.725 5.569 -2.125 1.00 0.00 C ATOM 618 CG2 VAL A 42 -5.992 3.131 -1.642 1.00 0.00 C ATOM 0 H VAL A 42 -8.524 2.795 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.996 4.720 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.638 4.142 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.717 5.369 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.147 6.414 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.686 5.805 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.978 2.968 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.967 3.307 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.599 2.250 -1.851 1.00 0.00 H new ATOM 628 N ALA A 43 -9.183 5.695 -3.659 1.00 0.00 N ATOM 629 CA ALA A 43 -9.774 6.819 -4.377 1.00 0.00 C ATOM 630 C ALA A 43 -10.984 7.354 -3.626 1.00 0.00 C ATOM 631 O ALA A 43 -11.393 8.501 -3.807 1.00 0.00 O ATOM 632 CB ALA A 43 -10.169 6.399 -5.780 1.00 0.00 C ATOM 0 H ALA A 43 -9.264 4.799 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.031 7.613 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.609 7.248 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.286 6.057 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.897 5.589 -5.726 1.00 0.00 H new ATOM 638 N ALA A 44 -11.549 6.506 -2.780 1.00 0.00 N ATOM 639 CA ALA A 44 -12.704 6.875 -1.981 1.00 0.00 C ATOM 640 C ALA A 44 -12.271 7.536 -0.678 1.00 0.00 C ATOM 641 O ALA A 44 -13.095 8.083 0.051 1.00 0.00 O ATOM 642 CB ALA A 44 -13.561 5.654 -1.697 1.00 0.00 C ATOM 0 H ALA A 44 -11.222 5.551 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.297 7.594 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.423 5.946 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.903 5.223 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.973 4.916 -1.152 1.00 0.00 H new ATOM 648 N ASP A 45 -10.977 7.483 -0.386 1.00 0.00 N ATOM 649 CA ASP A 45 -10.451 8.090 0.828 1.00 0.00 C ATOM 650 C ASP A 45 -9.984 9.510 0.538 1.00 0.00 C ATOM 651 O ASP A 45 -10.621 10.479 0.952 1.00 0.00 O ATOM 652 CB ASP A 45 -9.301 7.262 1.403 1.00 0.00 C ATOM 653 CG ASP A 45 -8.891 7.742 2.779 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.124 8.717 2.870 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.348 7.156 3.781 1.00 0.00 O ATOM 0 H ASP A 45 -10.276 7.028 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.249 8.120 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.600 6.215 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.445 7.314 0.731 1.00 0.00 H new ATOM 660 N GLY A 46 -8.873 9.634 -0.181 1.00 0.00 N ATOM 661 CA GLY A 46 -8.362 10.948 -0.529 1.00 0.00 C ATOM 662 C GLY A 46 -7.108 11.349 0.226 1.00 0.00 C ATOM 663 O GLY A 46 -6.378 12.233 -0.222 1.00 0.00 O ATOM 0 H GLY A 46 -8.319 8.851 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.152 10.972 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.139 11.689 -0.340 1.00 0.00 H new ATOM 667 N ARG A 47 -6.846 10.717 1.364 1.00 0.00 N ATOM 668 CA ARG A 47 -5.667 11.052 2.158 1.00 0.00 C ATOM 669 C ARG A 47 -4.385 10.580 1.475 1.00 0.00 C ATOM 670 O ARG A 47 -3.333 11.207 1.608 1.00 0.00 O ATOM 671 CB ARG A 47 -5.767 10.450 3.557 1.00 0.00 C ATOM 672 CG ARG A 47 -6.665 11.243 4.492 1.00 0.00 C ATOM 673 CD ARG A 47 -6.896 10.503 5.798 1.00 0.00 C ATOM 674 NE ARG A 47 -7.721 9.311 5.614 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.267 8.614 6.614 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.086 8.985 7.879 1.00 0.00 N ATOM 677 NH2 ARG A 47 -8.996 7.542 6.345 1.00 0.00 N ATOM 0 H ARG A 47 -7.427 9.976 1.756 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.628 12.138 2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.145 9.431 3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.769 10.388 3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.213 12.213 4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.622 11.433 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.936 10.216 6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.378 11.170 6.512 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.891 8.991 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.525 9.810 8.093 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.508 8.445 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.139 7.252 5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.415 7.006 7.105 1.00 0.00 H new ATOM 691 N ILE A 48 -4.475 9.471 0.756 1.00 0.00 N ATOM 692 CA ILE A 48 -3.322 8.929 0.046 1.00 0.00 C ATOM 693 C ILE A 48 -3.200 9.591 -1.321 1.00 0.00 C ATOM 694 O ILE A 48 -4.202 9.809 -2.005 1.00 0.00 O ATOM 695 CB ILE A 48 -3.420 7.397 -0.130 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.632 6.714 1.226 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.169 6.856 -0.817 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.735 5.206 1.136 1.00 0.00 C ATOM 0 H ILE A 48 -5.332 8.928 0.648 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.437 9.141 0.646 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.280 7.176 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.806 6.974 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.541 7.105 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.256 5.776 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.064 7.319 -1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.293 7.087 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.884 4.791 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.579 4.936 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.816 4.803 0.709 1.00 0.00 H new ATOM 710 N GLU A 49 -1.979 9.925 -1.706 1.00 0.00 N ATOM 711 CA GLU A 49 -1.725 10.568 -2.983 1.00 0.00 C ATOM 712 C GLU A 49 -0.472 9.985 -3.639 1.00 0.00 C ATOM 713 O GLU A 49 0.332 9.329 -2.972 1.00 0.00 O ATOM 714 CB GLU A 49 -1.547 12.069 -2.770 1.00 0.00 C ATOM 715 CG GLU A 49 -0.248 12.425 -2.066 1.00 0.00 C ATOM 716 CD GLU A 49 -0.204 13.866 -1.621 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.951 14.222 -0.688 1.00 0.00 O ATOM 718 OE2 GLU A 49 0.586 14.644 -2.194 1.00 0.00 O ATOM 0 H GLU A 49 -1.142 9.759 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.575 10.390 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.579 12.573 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.385 12.448 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.120 11.777 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.589 12.230 -2.736 1.00 0.00 H new ATOM 725 N PRO A 50 -0.298 10.194 -4.956 1.00 0.00 N ATOM 726 CA PRO A 50 0.883 9.710 -5.679 1.00 0.00 C ATOM 727 C PRO A 50 2.175 10.257 -5.075 1.00 0.00 C ATOM 728 O PRO A 50 2.418 11.467 -5.097 1.00 0.00 O ATOM 729 CB PRO A 50 0.688 10.258 -7.096 1.00 0.00 C ATOM 730 CG PRO A 50 -0.777 10.485 -7.217 1.00 0.00 C ATOM 731 CD PRO A 50 -1.239 10.895 -5.851 1.00 0.00 C ATOM 0 HA PRO A 50 0.973 8.624 -5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.245 11.183 -7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.042 9.551 -7.846 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.994 11.260 -7.952 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.287 9.580 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.193 11.976 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.270 10.594 -5.667 1.00 0.00 H new ATOM 739 N GLY A 51 2.991 9.368 -4.523 1.00 0.00 N ATOM 740 CA GLY A 51 4.237 9.786 -3.916 1.00 0.00 C ATOM 741 C GLY A 51 4.336 9.376 -2.462 1.00 0.00 C ATOM 742 O GLY A 51 5.417 9.413 -1.873 1.00 0.00 O ATOM 0 H GLY A 51 2.811 8.365 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.071 9.355 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.330 10.869 -3.992 1.00 0.00 H new ATOM 746 N ASP A 52 3.206 8.991 -1.876 1.00 0.00 N ATOM 747 CA ASP A 52 3.179 8.563 -0.480 1.00 0.00 C ATOM 748 C ASP A 52 3.897 7.227 -0.340 1.00 0.00 C ATOM 749 O ASP A 52 3.816 6.381 -1.228 1.00 0.00 O ATOM 750 CB ASP A 52 1.737 8.445 0.033 1.00 0.00 C ATOM 751 CG ASP A 52 1.091 9.794 0.317 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.818 10.770 0.591 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.154 9.882 0.278 1.00 0.00 O ATOM 0 H ASP A 52 2.300 8.966 -2.344 1.00 0.00 H new ATOM 0 HA ASP A 52 3.690 9.314 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.138 7.910 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.730 7.847 0.944 1.00 0.00 H new ATOM 758 N MET A 53 4.608 7.043 0.759 1.00 0.00 N ATOM 759 CA MET A 53 5.347 5.805 0.984 1.00 0.00 C ATOM 760 C MET A 53 4.587 4.869 1.913 1.00 0.00 C ATOM 761 O MET A 53 4.042 5.301 2.925 1.00 0.00 O ATOM 762 CB MET A 53 6.728 6.113 1.571 1.00 0.00 C ATOM 763 CG MET A 53 7.540 4.875 1.930 1.00 0.00 C ATOM 764 SD MET A 53 9.243 5.266 2.376 1.00 0.00 S ATOM 765 CE MET A 53 9.802 3.674 2.977 1.00 0.00 C ATOM 0 H MET A 53 4.692 7.730 1.509 1.00 0.00 H new ATOM 0 HA MET A 53 5.466 5.307 0.022 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.292 6.709 0.853 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.603 6.725 2.465 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.060 4.359 2.762 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.539 4.187 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.886 3.688 3.091 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.338 3.466 3.941 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.523 2.898 2.265 1.00 0.00 H new ATOM 775 N LEU A 54 4.558 3.591 1.560 1.00 0.00 N ATOM 776 CA LEU A 54 3.882 2.589 2.372 1.00 0.00 C ATOM 777 C LEU A 54 4.839 2.059 3.428 1.00 0.00 C ATOM 778 O LEU A 54 5.901 1.535 3.099 1.00 0.00 O ATOM 779 CB LEU A 54 3.379 1.430 1.507 1.00 0.00 C ATOM 780 CG LEU A 54 2.138 1.725 0.666 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.896 0.601 -0.328 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.918 1.912 1.557 1.00 0.00 C ATOM 0 H LEU A 54 4.996 3.223 0.715 1.00 0.00 H new ATOM 0 HA LEU A 54 3.023 3.058 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.184 1.122 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.163 0.582 2.157 1.00 0.00 H new ATOM 0 HG LEU A 54 2.308 2.650 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.009 0.824 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.759 0.507 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.747 -0.335 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.045 2.121 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.745 1.003 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.089 2.746 2.238 1.00 0.00 H new ATOM 794 N LEU A 55 4.474 2.211 4.688 1.00 0.00 N ATOM 795 CA LEU A 55 5.318 1.748 5.777 1.00 0.00 C ATOM 796 C LEU A 55 4.798 0.437 6.351 1.00 0.00 C ATOM 797 O LEU A 55 5.530 -0.547 6.460 1.00 0.00 O ATOM 798 CB LEU A 55 5.377 2.800 6.885 1.00 0.00 C ATOM 799 CG LEU A 55 5.799 4.202 6.444 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.689 5.179 7.605 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.218 4.189 5.898 1.00 0.00 C ATOM 0 H LEU A 55 3.602 2.650 4.983 1.00 0.00 H new ATOM 0 HA LEU A 55 6.319 1.583 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.394 2.866 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.071 2.456 7.652 1.00 0.00 H new ATOM 0 HG LEU A 55 5.128 4.527 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.993 6.172 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.657 5.213 7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.338 4.853 8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.499 5.196 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.903 3.842 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.272 3.519 5.040 1.00 0.00 H new ATOM 813 N GLN A 56 3.525 0.428 6.702 1.00 0.00 N ATOM 814 CA GLN A 56 2.904 -0.745 7.289 1.00 0.00 C ATOM 815 C GLN A 56 1.550 -1.012 6.645 1.00 0.00 C ATOM 816 O GLN A 56 0.794 -0.083 6.360 1.00 0.00 O ATOM 817 CB GLN A 56 2.745 -0.539 8.798 1.00 0.00 C ATOM 818 CG GLN A 56 2.026 -1.668 9.516 1.00 0.00 C ATOM 819 CD GLN A 56 1.940 -1.442 11.012 1.00 0.00 C ATOM 820 OE1 GLN A 56 0.970 -1.842 11.657 1.00 0.00 O ATOM 821 NE2 GLN A 56 2.956 -0.806 11.578 1.00 0.00 N ATOM 0 H GLN A 56 2.898 1.225 6.590 1.00 0.00 H new ATOM 0 HA GLN A 56 3.541 -1.611 7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.733 -0.415 9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.200 0.389 8.970 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.020 -1.771 9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.546 -2.606 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.741 -0.491 11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.953 -0.632 12.583 1.00 0.00 H new ATOM 830 N VAL A 57 1.259 -2.278 6.398 1.00 0.00 N ATOM 831 CA VAL A 57 -0.009 -2.666 5.801 1.00 0.00 C ATOM 832 C VAL A 57 -0.600 -3.840 6.568 1.00 0.00 C ATOM 833 O VAL A 57 -0.168 -4.974 6.397 1.00 0.00 O ATOM 834 CB VAL A 57 0.144 -3.051 4.311 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.173 -3.564 3.754 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.645 -1.868 3.495 1.00 0.00 C ATOM 0 H VAL A 57 1.885 -3.057 6.602 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.675 -1.805 5.857 1.00 0.00 H new ATOM 0 HB VAL A 57 0.882 -3.850 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.045 -3.830 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.487 -4.444 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.932 -2.787 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.745 -2.163 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.065 -1.045 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.615 -1.548 3.876 1.00 0.00 H new ATOM 846 N ASN A 58 -1.569 -3.554 7.427 1.00 0.00 N ATOM 847 CA ASN A 58 -2.228 -4.582 8.237 1.00 0.00 C ATOM 848 C ASN A 58 -1.240 -5.283 9.170 1.00 0.00 C ATOM 849 O ASN A 58 -0.920 -6.460 8.986 1.00 0.00 O ATOM 850 CB ASN A 58 -2.947 -5.613 7.353 1.00 0.00 C ATOM 851 CG ASN A 58 -4.435 -5.348 7.247 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.883 -4.210 7.367 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.215 -6.396 7.017 1.00 0.00 N ATOM 0 H ASN A 58 -1.922 -2.610 7.585 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.972 -4.075 8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.507 -5.602 6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.787 -6.611 7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.224 -6.272 6.934 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.806 -7.326 6.923 1.00 0.00 H new ATOM 860 N ASP A 59 -0.744 -4.526 10.150 1.00 0.00 N ATOM 861 CA ASP A 59 0.190 -5.017 11.178 1.00 0.00 C ATOM 862 C ASP A 59 1.607 -5.273 10.659 1.00 0.00 C ATOM 863 O ASP A 59 2.579 -4.876 11.309 1.00 0.00 O ATOM 864 CB ASP A 59 -0.349 -6.276 11.867 1.00 0.00 C ATOM 865 CG ASP A 59 -1.417 -5.963 12.894 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.601 -5.830 12.507 1.00 0.00 O ATOM 867 OD2 ASP A 59 -1.084 -5.850 14.096 1.00 0.00 O ATOM 0 H ASP A 59 -0.980 -3.540 10.258 1.00 0.00 H new ATOM 0 HA ASP A 59 0.264 -4.207 11.904 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.759 -6.950 11.115 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.474 -6.801 12.352 1.00 0.00 H new ATOM 872 N VAL A 60 1.746 -5.935 9.517 1.00 0.00 N ATOM 873 CA VAL A 60 3.077 -6.226 8.976 1.00 0.00 C ATOM 874 C VAL A 60 3.783 -4.956 8.504 1.00 0.00 C ATOM 875 O VAL A 60 3.187 -4.095 7.853 1.00 0.00 O ATOM 876 CB VAL A 60 3.052 -7.268 7.832 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.664 -8.635 8.369 1.00 0.00 C ATOM 878 CG2 VAL A 60 2.112 -6.848 6.717 1.00 0.00 C ATOM 0 H VAL A 60 0.969 -6.278 8.951 1.00 0.00 H new ATOM 0 HA VAL A 60 3.639 -6.660 9.803 1.00 0.00 H new ATOM 0 HB VAL A 60 4.057 -7.327 7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.651 -9.357 7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.389 -8.950 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.674 -8.581 8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.120 -7.603 5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.101 -6.746 7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.439 -5.893 6.306 1.00 0.00 H new ATOM 888 N ASN A 61 5.057 -4.849 8.854 1.00 0.00 N ATOM 889 CA ASN A 61 5.872 -3.691 8.495 1.00 0.00 C ATOM 890 C ASN A 61 6.686 -3.981 7.240 1.00 0.00 C ATOM 891 O ASN A 61 7.379 -4.993 7.173 1.00 0.00 O ATOM 892 CB ASN A 61 6.808 -3.347 9.659 1.00 0.00 C ATOM 893 CG ASN A 61 7.799 -2.249 9.323 1.00 0.00 C ATOM 894 OD1 ASN A 61 7.486 -1.315 8.587 1.00 0.00 O ATOM 895 ND2 ASN A 61 9.003 -2.354 9.862 1.00 0.00 N ATOM 0 H ASN A 61 5.555 -5.558 9.392 1.00 0.00 H new ATOM 0 HA ASN A 61 5.217 -2.844 8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.212 -3.039 10.518 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.354 -4.243 9.955 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.711 -1.644 9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.223 -3.145 10.468 1.00 0.00 H new ATOM 902 N PHE A 62 6.620 -3.089 6.254 1.00 0.00 N ATOM 903 CA PHE A 62 7.351 -3.281 5.005 1.00 0.00 C ATOM 904 C PHE A 62 8.636 -2.457 4.973 1.00 0.00 C ATOM 905 O PHE A 62 9.433 -2.580 4.044 1.00 0.00 O ATOM 906 CB PHE A 62 6.470 -2.919 3.806 1.00 0.00 C ATOM 907 CG PHE A 62 5.329 -3.873 3.572 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.446 -5.218 3.887 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.141 -3.421 3.026 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.398 -6.090 3.668 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.090 -4.288 2.801 1.00 0.00 C ATOM 912 CZ PHE A 62 3.217 -5.624 3.123 1.00 0.00 C ATOM 0 H PHE A 62 6.071 -2.231 6.296 1.00 0.00 H new ATOM 0 HA PHE A 62 7.623 -4.335 4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.067 -1.917 3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.090 -2.884 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.369 -5.588 4.309 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.034 -2.377 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.501 -7.135 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.169 -3.921 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.396 -6.303 2.949 1.00 0.00 H new ATOM 922 N GLU A 63 8.839 -1.624 5.990 1.00 0.00 N ATOM 923 CA GLU A 63 10.039 -0.788 6.064 1.00 0.00 C ATOM 924 C GLU A 63 11.300 -1.645 6.086 1.00 0.00 C ATOM 925 O GLU A 63 12.313 -1.292 5.484 1.00 0.00 O ATOM 926 CB GLU A 63 10.013 0.098 7.310 1.00 0.00 C ATOM 927 CG GLU A 63 9.157 1.345 7.176 1.00 0.00 C ATOM 928 CD GLU A 63 9.179 2.194 8.431 1.00 0.00 C ATOM 929 OE1 GLU A 63 10.252 2.740 8.766 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.131 2.307 9.099 1.00 0.00 O ATOM 0 H GLU A 63 8.194 -1.508 6.771 1.00 0.00 H new ATOM 0 HA GLU A 63 10.050 -0.157 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.647 -0.490 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.033 0.397 7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.511 1.938 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.130 1.056 6.953 1.00 0.00 H new ATOM 937 N ASN A 64 11.228 -2.775 6.776 1.00 0.00 N ATOM 938 CA ASN A 64 12.368 -3.677 6.889 1.00 0.00 C ATOM 939 C ASN A 64 12.212 -4.879 5.965 1.00 0.00 C ATOM 940 O ASN A 64 12.581 -5.999 6.321 1.00 0.00 O ATOM 941 CB ASN A 64 12.529 -4.152 8.335 1.00 0.00 C ATOM 942 CG ASN A 64 13.123 -3.092 9.241 1.00 0.00 C ATOM 943 OD1 ASN A 64 13.815 -2.180 8.788 1.00 0.00 O ATOM 944 ND2 ASN A 64 12.858 -3.212 10.531 1.00 0.00 N ATOM 0 H ASN A 64 10.391 -3.090 7.267 1.00 0.00 H new ATOM 0 HA ASN A 64 13.260 -3.127 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.556 -4.452 8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.166 -5.037 8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.232 -2.533 11.194 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.280 -3.984 10.863 1.00 0.00 H new ATOM 951 N MET A 65 11.666 -4.649 4.781 1.00 0.00 N ATOM 952 CA MET A 65 11.463 -5.712 3.807 1.00 0.00 C ATOM 953 C MET A 65 11.790 -5.211 2.409 1.00 0.00 C ATOM 954 O MET A 65 11.641 -4.024 2.123 1.00 0.00 O ATOM 955 CB MET A 65 10.015 -6.207 3.853 1.00 0.00 C ATOM 956 CG MET A 65 9.703 -7.084 5.058 1.00 0.00 C ATOM 957 SD MET A 65 7.953 -7.512 5.188 1.00 0.00 S ATOM 958 CE MET A 65 7.668 -8.255 3.585 1.00 0.00 C ATOM 0 H MET A 65 11.353 -3.729 4.469 1.00 0.00 H new ATOM 0 HA MET A 65 12.128 -6.540 4.055 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.347 -5.346 3.859 1.00 0.00 H new ATOM 0 HB3 MET A 65 9.804 -6.768 2.943 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.291 -8.000 4.996 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.013 -6.567 5.966 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.616 -8.524 3.490 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.933 -7.544 2.802 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.282 -9.150 3.485 1.00 0.00 H new ATOM 968 N SER A 66 12.253 -6.113 1.553 1.00 0.00 N ATOM 969 CA SER A 66 12.592 -5.763 0.179 1.00 0.00 C ATOM 970 C SER A 66 11.350 -5.287 -0.571 1.00 0.00 C ATOM 971 O SER A 66 10.230 -5.667 -0.229 1.00 0.00 O ATOM 972 CB SER A 66 13.201 -6.974 -0.528 1.00 0.00 C ATOM 973 OG SER A 66 13.670 -7.925 0.415 1.00 0.00 O ATOM 0 H SER A 66 12.403 -7.095 1.786 1.00 0.00 H new ATOM 0 HA SER A 66 13.321 -4.952 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.456 -7.435 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.024 -6.652 -1.167 1.00 0.00 H new ATOM 0 HG SER A 66 13.133 -8.742 0.351 1.00 0.00 H new ATOM 979 N ASN A 67 11.551 -4.469 -1.594 1.00 0.00 N ATOM 980 CA ASN A 67 10.441 -3.932 -2.382 1.00 0.00 C ATOM 981 C ASN A 67 9.570 -5.051 -2.939 1.00 0.00 C ATOM 982 O ASN A 67 8.342 -4.998 -2.845 1.00 0.00 O ATOM 983 CB ASN A 67 10.962 -3.063 -3.530 1.00 0.00 C ATOM 984 CG ASN A 67 11.701 -1.831 -3.050 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.469 -1.334 -1.946 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.601 -1.329 -3.877 1.00 0.00 N ATOM 0 H ASN A 67 12.473 -4.160 -1.902 1.00 0.00 H new ATOM 0 HA ASN A 67 9.834 -3.317 -1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.627 -3.658 -4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.124 -2.757 -4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.133 -0.501 -3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.764 -1.770 -4.782 1.00 0.00 H new ATOM 993 N ASP A 68 10.212 -6.069 -3.503 1.00 0.00 N ATOM 994 CA ASP A 68 9.503 -7.208 -4.077 1.00 0.00 C ATOM 995 C ASP A 68 8.756 -7.967 -2.988 1.00 0.00 C ATOM 996 O ASP A 68 7.583 -8.304 -3.142 1.00 0.00 O ATOM 997 CB ASP A 68 10.476 -8.151 -4.800 1.00 0.00 C ATOM 998 CG ASP A 68 11.047 -7.549 -6.072 1.00 0.00 C ATOM 999 OD1 ASP A 68 10.371 -7.602 -7.121 1.00 0.00 O ATOM 1000 OD2 ASP A 68 12.176 -7.019 -6.031 1.00 0.00 O ATOM 0 H ASP A 68 11.228 -6.129 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 68 8.785 -6.829 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.294 -8.407 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.960 -9.080 -5.043 1.00 0.00 H new ATOM 1005 N ASP A 69 9.439 -8.201 -1.871 1.00 0.00 N ATOM 1006 CA ASP A 69 8.854 -8.923 -0.741 1.00 0.00 C ATOM 1007 C ASP A 69 7.661 -8.167 -0.177 1.00 0.00 C ATOM 1008 O ASP A 69 6.649 -8.768 0.183 1.00 0.00 O ATOM 1009 CB ASP A 69 9.895 -9.150 0.358 1.00 0.00 C ATOM 1010 CG ASP A 69 10.851 -10.281 0.037 1.00 0.00 C ATOM 1011 OD1 ASP A 69 10.388 -11.427 -0.161 1.00 0.00 O ATOM 1012 OD2 ASP A 69 12.073 -10.027 -0.025 1.00 0.00 O ATOM 0 H ASP A 69 10.402 -7.900 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 69 8.514 -9.892 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.463 -8.232 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.385 -9.367 1.296 1.00 0.00 H new ATOM 1017 N ALA A 70 7.791 -6.848 -0.105 1.00 0.00 N ATOM 1018 CA ALA A 70 6.722 -6.002 0.396 1.00 0.00 C ATOM 1019 C ALA A 70 5.467 -6.189 -0.449 1.00 0.00 C ATOM 1020 O ALA A 70 4.369 -6.352 0.079 1.00 0.00 O ATOM 1021 CB ALA A 70 7.156 -4.547 0.400 1.00 0.00 C ATOM 0 H ALA A 70 8.630 -6.342 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 70 6.495 -6.292 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.344 -3.926 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.030 -4.430 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.406 -4.239 -0.615 1.00 0.00 H new ATOM 1027 N VAL A 71 5.647 -6.191 -1.766 1.00 0.00 N ATOM 1028 CA VAL A 71 4.537 -6.383 -2.690 1.00 0.00 C ATOM 1029 C VAL A 71 3.978 -7.798 -2.541 1.00 0.00 C ATOM 1030 O VAL A 71 2.766 -7.984 -2.483 1.00 0.00 O ATOM 1031 CB VAL A 71 4.961 -6.135 -4.159 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.841 -6.514 -5.120 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.364 -4.679 -4.364 1.00 0.00 C ATOM 0 H VAL A 71 6.553 -6.062 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 71 3.766 -5.654 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 71 5.823 -6.767 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.163 -6.331 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.600 -7.570 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.958 -5.913 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.658 -4.526 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.520 -4.031 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.202 -4.438 -3.710 1.00 0.00 H new ATOM 1043 N ARG A 72 4.878 -8.779 -2.445 1.00 0.00 N ATOM 1044 CA ARG A 72 4.492 -10.187 -2.291 1.00 0.00 C ATOM 1045 C ARG A 72 3.501 -10.366 -1.144 1.00 0.00 C ATOM 1046 O ARG A 72 2.412 -10.908 -1.329 1.00 0.00 O ATOM 1047 CB ARG A 72 5.729 -11.057 -2.032 1.00 0.00 C ATOM 1048 CG ARG A 72 6.615 -11.265 -3.251 1.00 0.00 C ATOM 1049 CD ARG A 72 7.874 -12.045 -2.893 1.00 0.00 C ATOM 1050 NE ARG A 72 8.752 -12.220 -4.046 1.00 0.00 N ATOM 1051 CZ ARG A 72 10.076 -12.341 -3.969 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.696 -12.270 -2.795 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.784 -12.528 -5.073 1.00 0.00 N ATOM 0 H ARG A 72 5.886 -8.624 -2.471 1.00 0.00 H new ATOM 0 HA ARG A 72 4.014 -10.500 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.322 -10.598 -1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.404 -12.030 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.059 -11.801 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.891 -10.298 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.413 -11.522 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.596 -13.022 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 72 8.323 -12.252 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.157 -12.122 -1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.711 -12.364 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.315 -12.579 -5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.798 -12.621 -5.019 1.00 0.00 H new ATOM 1067 N VAL A 73 3.880 -9.891 0.037 1.00 0.00 N ATOM 1068 CA VAL A 73 3.026 -9.998 1.212 1.00 0.00 C ATOM 1069 C VAL A 73 1.757 -9.165 1.037 1.00 0.00 C ATOM 1070 O VAL A 73 0.672 -9.575 1.452 1.00 0.00 O ATOM 1071 CB VAL A 73 3.779 -9.566 2.490 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.851 -9.516 3.695 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.941 -10.509 2.762 1.00 0.00 C ATOM 0 H VAL A 73 4.773 -9.428 0.205 1.00 0.00 H new ATOM 0 HA VAL A 73 2.743 -11.045 1.322 1.00 0.00 H new ATOM 0 HB VAL A 73 4.166 -8.561 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.415 -9.209 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.051 -8.800 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.422 -10.504 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.463 -10.193 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.563 -11.522 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.631 -10.489 1.919 1.00 0.00 H new ATOM 1083 N LEU A 74 1.901 -8.009 0.404 1.00 0.00 N ATOM 1084 CA LEU A 74 0.773 -7.123 0.159 1.00 0.00 C ATOM 1085 C LEU A 74 -0.292 -7.821 -0.687 1.00 0.00 C ATOM 1086 O LEU A 74 -1.479 -7.747 -0.380 1.00 0.00 O ATOM 1087 CB LEU A 74 1.246 -5.848 -0.546 1.00 0.00 C ATOM 1088 CG LEU A 74 0.145 -4.853 -0.914 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.456 -4.229 0.330 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.693 -3.776 -1.830 1.00 0.00 C ATOM 0 H LEU A 74 2.792 -7.662 0.050 1.00 0.00 H new ATOM 0 HA LEU A 74 0.333 -6.858 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.967 -5.344 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.775 -6.132 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.642 -5.394 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.237 -3.525 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.885 -5.010 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.321 -3.703 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.102 -3.075 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.499 -3.244 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.077 -4.234 -2.741 1.00 0.00 H new ATOM 1102 N ARG A 75 0.147 -8.513 -1.739 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.758 -9.231 -2.635 1.00 0.00 C ATOM 1104 C ARG A 75 -1.580 -10.251 -1.863 1.00 0.00 C ATOM 1105 O ARG A 75 -2.775 -10.409 -2.105 1.00 0.00 O ATOM 1106 CB ARG A 75 0.022 -9.927 -3.755 1.00 0.00 C ATOM 1107 CG ARG A 75 0.927 -8.992 -4.541 1.00 0.00 C ATOM 1108 CD ARG A 75 1.265 -9.551 -5.915 1.00 0.00 C ATOM 1109 NE ARG A 75 0.095 -9.572 -6.790 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.029 -8.981 -7.984 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.078 -8.322 -8.474 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -1.090 -9.062 -8.691 1.00 0.00 N ATOM 0 H ARG A 75 1.132 -8.591 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.433 -8.502 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.626 -10.725 -3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.684 -10.396 -4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.439 -8.024 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.847 -8.822 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.050 -8.948 -6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.660 -10.562 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.731 -10.075 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.942 -8.266 -7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.017 -7.874 -9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.891 -9.573 -8.321 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.149 -8.613 -9.605 1.00 0.00 H new ATOM 1126 N GLU A 76 -0.940 -10.921 -0.916 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.614 -11.919 -0.098 1.00 0.00 C ATOM 1128 C GLU A 76 -2.718 -11.283 0.741 1.00 0.00 C ATOM 1129 O GLU A 76 -3.804 -11.845 0.884 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.609 -12.626 0.811 1.00 0.00 C ATOM 1131 CG GLU A 76 0.320 -13.571 0.064 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.438 -14.647 -0.683 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.029 -15.529 -0.025 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.452 -14.613 -1.931 1.00 0.00 O ATOM 0 H GLU A 76 0.047 -10.791 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.068 -12.652 -0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.012 -11.877 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.151 -13.187 1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.926 -13.001 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.006 -14.037 0.771 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.443 -10.102 1.279 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.417 -9.391 2.101 1.00 0.00 C ATOM 1143 C ILE A 77 -4.536 -8.812 1.239 1.00 0.00 C ATOM 1144 O ILE A 77 -5.717 -8.952 1.552 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.755 -8.243 2.897 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.575 -8.766 3.719 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.775 -7.556 3.799 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.745 -7.670 4.353 1.00 0.00 C ATOM 0 H ILE A 77 -1.554 -9.615 1.162 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.831 -10.116 2.801 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.377 -7.508 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.952 -9.424 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.934 -9.370 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.289 -6.751 4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.580 -7.144 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.186 -8.281 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.073 -8.115 4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.338 -7.025 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.371 -7.080 5.022 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.145 -8.183 0.140 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.084 -7.560 -0.789 1.00 0.00 C ATOM 1162 C VAL A 78 -6.045 -8.591 -1.394 1.00 0.00 C ATOM 1163 O VAL A 78 -7.187 -8.271 -1.727 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.309 -6.812 -1.903 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.223 -6.332 -3.023 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.553 -5.641 -1.299 1.00 0.00 C ATOM 0 H VAL A 78 -3.167 -8.089 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.686 -6.842 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.606 -7.516 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.632 -5.814 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.723 -7.188 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.970 -5.650 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.008 -5.116 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.258 -4.957 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.849 -6.009 -0.552 1.00 0.00 H new ATOM 1176 N SER A 79 -5.589 -9.833 -1.513 1.00 0.00 N ATOM 1177 CA SER A 79 -6.419 -10.896 -2.072 1.00 0.00 C ATOM 1178 C SER A 79 -7.188 -11.633 -0.977 1.00 0.00 C ATOM 1179 O SER A 79 -7.973 -12.541 -1.259 1.00 0.00 O ATOM 1180 CB SER A 79 -5.556 -11.878 -2.868 1.00 0.00 C ATOM 1181 OG SER A 79 -4.695 -11.184 -3.755 1.00 0.00 O ATOM 0 H SER A 79 -4.654 -10.129 -1.232 1.00 0.00 H new ATOM 0 HA SER A 79 -7.146 -10.438 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.966 -12.488 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.195 -12.558 -3.431 1.00 0.00 H new ATOM 0 HG SER A 79 -3.848 -10.989 -3.303 1.00 0.00 H new ATOM 1187 N GLN A 80 -6.983 -11.224 0.266 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.647 -11.854 1.401 1.00 0.00 C ATOM 1189 C GLN A 80 -8.848 -11.023 1.844 1.00 0.00 C ATOM 1190 O GLN A 80 -8.909 -9.821 1.586 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.665 -12.029 2.565 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.706 -13.413 3.196 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.194 -14.510 2.278 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.678 -15.643 2.321 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.202 -14.196 1.459 1.00 0.00 N ATOM 0 H GLN A 80 -6.360 -10.456 0.516 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.000 -12.838 1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.654 -11.831 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.885 -11.284 3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.110 -13.406 4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.731 -13.642 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.827 -13.247 1.452 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.812 -14.903 0.835 1.00 0.00 H new ATOM 1204 N THR A 81 -9.804 -11.664 2.501 1.00 0.00 N ATOM 1205 CA THR A 81 -11.000 -10.981 2.974 1.00 0.00 C ATOM 1206 C THR A 81 -10.757 -10.322 4.333 1.00 0.00 C ATOM 1207 O THR A 81 -10.127 -10.907 5.220 1.00 0.00 O ATOM 1208 CB THR A 81 -12.184 -11.962 3.085 1.00 0.00 C ATOM 1209 OG1 THR A 81 -12.204 -12.827 1.942 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.508 -11.216 3.180 1.00 0.00 C ATOM 0 H THR A 81 -9.774 -12.660 2.719 1.00 0.00 H new ATOM 0 HA THR A 81 -11.243 -10.208 2.245 1.00 0.00 H new ATOM 0 HB THR A 81 -12.054 -12.551 3.993 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.957 -13.450 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.325 -11.933 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.502 -10.576 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.646 -10.604 2.289 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.242 -9.097 4.486 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.077 -8.387 5.735 1.00 0.00 C ATOM 1220 C GLY A 82 -10.676 -6.943 5.530 1.00 0.00 C ATOM 1221 O GLY A 82 -10.164 -6.591 4.466 1.00 0.00 O ATOM 0 H GLY A 82 -11.748 -8.583 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.010 -8.426 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.320 -8.889 6.338 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.907 -6.081 6.531 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.552 -4.661 6.453 1.00 0.00 C ATOM 1227 C PRO A 83 -9.046 -4.470 6.308 1.00 0.00 C ATOM 1228 O PRO A 83 -8.254 -5.164 6.953 1.00 0.00 O ATOM 1229 CB PRO A 83 -11.043 -4.087 7.788 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.161 -5.264 8.693 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.536 -6.421 7.817 1.00 0.00 C ATOM 0 HA PRO A 83 -10.997 -4.170 5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.341 -3.353 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.001 -3.581 7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.221 -5.455 9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.917 -5.093 9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.161 -7.365 8.213 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.617 -6.522 7.723 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.650 -3.534 5.458 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.236 -3.277 5.224 1.00 0.00 C ATOM 1241 C ILE A 84 -6.853 -1.861 5.652 1.00 0.00 C ATOM 1242 O ILE A 84 -7.475 -0.881 5.233 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.861 -3.483 3.735 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.324 -4.863 3.243 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.358 -3.324 3.539 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -7.123 -5.084 1.758 1.00 0.00 C ATOM 0 H ILE A 84 -9.284 -2.942 4.921 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.680 -3.994 5.828 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.371 -2.722 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.783 -5.634 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.381 -4.986 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.111 -3.472 2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.055 -2.323 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.832 -4.063 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.474 -6.080 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.687 -4.337 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.064 -4.994 1.517 1.00 0.00 H new ATOM 1258 N SER A 85 -5.842 -1.769 6.501 1.00 0.00 N ATOM 1259 CA SER A 85 -5.348 -0.489 6.976 1.00 0.00 C ATOM 1260 C SER A 85 -3.985 -0.199 6.354 1.00 0.00 C ATOM 1261 O SER A 85 -3.072 -1.029 6.425 1.00 0.00 O ATOM 1262 CB SER A 85 -5.232 -0.498 8.500 1.00 0.00 C ATOM 1263 OG SER A 85 -6.459 -0.872 9.109 1.00 0.00 O ATOM 0 H SER A 85 -5.344 -2.575 6.878 1.00 0.00 H new ATOM 0 HA SER A 85 -6.051 0.291 6.683 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.447 -1.191 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.936 0.491 8.850 1.00 0.00 H new ATOM 0 HG SER A 85 -6.354 -0.871 10.083 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.853 0.967 5.739 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.605 1.353 5.095 1.00 0.00 C ATOM 1271 C LEU A 86 -1.929 2.503 5.833 1.00 0.00 C ATOM 1272 O LEU A 86 -2.512 3.576 6.005 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.858 1.765 3.640 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.672 0.780 2.794 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.925 1.357 1.409 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.954 -0.555 2.683 1.00 0.00 C ATOM 0 H LEU A 86 -4.595 1.663 5.672 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.944 0.487 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.373 2.725 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.895 1.920 3.154 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.630 0.616 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.504 0.647 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.480 2.291 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.972 1.548 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.549 -1.239 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.982 -0.407 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.815 -0.977 3.678 1.00 0.00 H new ATOM 1288 N THR A 87 -0.709 2.268 6.278 1.00 0.00 N ATOM 1289 CA THR A 87 0.068 3.281 6.964 1.00 0.00 C ATOM 1290 C THR A 87 0.995 3.971 5.968 1.00 0.00 C ATOM 1291 O THR A 87 2.044 3.431 5.604 1.00 0.00 O ATOM 1292 CB THR A 87 0.896 2.663 8.105 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.052 1.850 8.931 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.557 3.739 8.955 1.00 0.00 C ATOM 0 H THR A 87 -0.231 1.373 6.174 1.00 0.00 H new ATOM 0 HA THR A 87 -0.617 4.010 7.397 1.00 0.00 H new ATOM 0 HB THR A 87 1.680 2.050 7.660 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.067 0.972 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.134 3.270 9.752 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.220 4.339 8.332 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.791 4.380 9.391 1.00 0.00 H new ATOM 1302 N VAL A 88 0.598 5.155 5.514 1.00 0.00 N ATOM 1303 CA VAL A 88 1.380 5.900 4.536 1.00 0.00 C ATOM 1304 C VAL A 88 2.159 7.044 5.174 1.00 0.00 C ATOM 1305 O VAL A 88 1.716 7.660 6.146 1.00 0.00 O ATOM 1306 CB VAL A 88 0.497 6.470 3.399 1.00 0.00 C ATOM 1307 CG1 VAL A 88 -0.092 5.346 2.561 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.607 7.359 3.955 1.00 0.00 C ATOM 0 H VAL A 88 -0.261 5.619 5.808 1.00 0.00 H new ATOM 0 HA VAL A 88 2.084 5.182 4.116 1.00 0.00 H new ATOM 0 HB VAL A 88 1.131 7.082 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.709 5.768 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.714 4.760 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.704 4.703 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.211 7.745 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.238 6.778 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.163 8.191 4.502 1.00 0.00 H new ATOM 1318 N ALA A 89 3.334 7.300 4.628 1.00 0.00 N ATOM 1319 CA ALA A 89 4.184 8.375 5.100 1.00 0.00 C ATOM 1320 C ALA A 89 4.153 9.525 4.110 1.00 0.00 C ATOM 1321 O ALA A 89 4.729 9.432 3.023 1.00 0.00 O ATOM 1322 CB ALA A 89 5.609 7.888 5.303 1.00 0.00 C ATOM 0 H ALA A 89 3.724 6.770 3.848 1.00 0.00 H new ATOM 0 HA ALA A 89 3.807 8.722 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.228 8.712 5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.618 7.085 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.005 7.517 4.358 1.00 0.00 H new ATOM 1328 N LYS A 90 3.464 10.590 4.472 1.00 0.00 N ATOM 1329 CA LYS A 90 3.352 11.749 3.610 1.00 0.00 C ATOM 1330 C LYS A 90 4.478 12.727 3.891 1.00 0.00 C ATOM 1331 O LYS A 90 4.598 13.183 5.050 1.00 0.00 O ATOM 1332 CB LYS A 90 1.999 12.429 3.811 1.00 0.00 C ATOM 1333 CG LYS A 90 0.815 11.481 3.669 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.507 12.226 3.723 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.707 13.110 2.501 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.881 12.314 1.261 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.247 13.036 2.957 1.00 0.00 O ATOM 0 H LYS A 90 2.972 10.676 5.361 1.00 0.00 H new ATOM 0 HA LYS A 90 3.428 11.420 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.973 12.884 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.896 13.237 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.891 10.942 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.847 10.737 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.326 11.510 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.543 12.838 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.581 13.743 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.151 13.773 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.197 12.937 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.025 11.874 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.592 11.573 1.421 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 2.906 -4.071 -8.719 1.00 20.00 C HETATM 1353 C19 SUZ A 91 1.922 -3.090 -8.717 1.00 20.00 C HETATM 1354 C5 SUZ A 91 0.823 -3.173 -9.635 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.463 -2.441 -9.307 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.300 -2.772 -8.145 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.936 -3.857 -7.093 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.074 -4.836 -6.939 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.061 -5.625 -5.840 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.928 -5.490 -4.863 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.908 -6.292 -3.789 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.926 -4.541 -4.994 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.920 -3.737 -6.100 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.866 -2.621 -6.522 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.995 -2.182 -5.542 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.380 -2.365 -6.141 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.683 -1.688 -7.236 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -6.226 -3.111 -5.623 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.531 -2.052 -7.702 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -3.244 -0.954 -8.395 1.00 20.00 C HETATM 1371 C4 SUZ A 91 0.763 -4.235 -10.528 1.00 20.00 C HETATM 1372 C3 SUZ A 91 1.776 -5.237 -10.526 1.00 20.00 C HETATM 1373 C2 SUZ A 91 2.833 -5.155 -9.635 1.00 20.00 C HETATM 1374 S SUZ A 91 4.092 -6.351 -9.594 1.00 20.00 S HETATM 1375 O1 SUZ A 91 3.915 -7.301 -8.532 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.502 -5.354 -9.221 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.920 -2.761 -4.622 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.572 -0.105 -8.518 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.578 -1.298 -9.374 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -4.108 -0.650 -7.803 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.782 -1.631 -9.963 1.00 20.00 H new HETATM 0 H4 SUZ A 91 -0.064 -4.302 -11.235 1.00 20.00 H new HETATM 0 H3 SUZ A 91 1.719 -6.070 -11.227 1.00 20.00 H new HETATM 0 H20 SUZ A 91 3.737 -4.009 -8.016 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.410 -5.894 -9.489 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.451 -4.425 -9.789 1.00 20.00 H new HETATM 0 H19 SUZ A 91 1.985 -2.257 -8.017 1.00 20.00 H new HETATM 0 H17 SUZ A 91 0.851 -4.953 -7.695 1.00 20.00 H new HETATM 0 H16 SUZ A 91 0.837 -6.380 -5.715 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.699 -4.437 -4.233 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.853 -1.135 -5.273 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.515 -5.127 -8.155 1.00 20.00 H new