USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 794 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 10 THR OG1 : rot 180:sc= 0.0289 USER MOD Set 1.2: A 13 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 33:sc= 0.218 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.4) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.946 F(o=-3.4!,f=-0.95) USER MOD Single : A 20 SER OG : rot -21:sc= 0.563! USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 83:sc= 0.325 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -68:sc= -1.24! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 50 CYS SG : rot 23:sc= -3.03! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00169 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 70 GLN : amide:sc=-0.00633 X(o=-0.0063,f=-0.0063) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.063) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.500 15.494 -1.129 1.00 0.00 N ATOM 2 CA GLY A 1 -17.562 16.618 -0.213 1.00 0.00 C ATOM 3 C GLY A 1 -16.337 16.709 0.676 1.00 0.00 C ATOM 4 O GLY A 1 -16.209 15.964 1.648 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.359 15.475 -1.714 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.666 15.591 -1.742 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.430 14.609 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.663 17.542 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.453 16.527 0.409 1.00 0.00 H new ATOM 8 N SER A 2 -15.432 17.625 0.343 1.00 0.00 N ATOM 9 CA SER A 2 -14.210 17.807 1.115 1.00 0.00 C ATOM 10 C SER A 2 -13.476 19.072 0.679 1.00 0.00 C ATOM 11 O SER A 2 -13.805 19.673 -0.344 1.00 0.00 O ATOM 12 CB SER A 2 -13.294 16.592 0.953 1.00 0.00 C ATOM 13 OG SER A 2 -12.803 16.496 -0.372 1.00 0.00 O ATOM 0 H SER A 2 -15.523 18.252 -0.456 1.00 0.00 H new ATOM 0 HA SER A 2 -14.484 17.910 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.459 16.667 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.841 15.684 1.208 1.00 0.00 H new ATOM 0 HG SER A 2 -12.219 15.713 -0.449 1.00 0.00 H new ATOM 19 N SER A 3 -12.479 19.471 1.463 1.00 0.00 N ATOM 20 CA SER A 3 -11.700 20.666 1.162 1.00 0.00 C ATOM 21 C SER A 3 -10.649 20.915 2.239 1.00 0.00 C ATOM 22 O SER A 3 -10.976 21.107 3.409 1.00 0.00 O ATOM 23 CB SER A 3 -12.620 21.883 1.040 1.00 0.00 C ATOM 24 OG SER A 3 -13.425 22.032 2.198 1.00 0.00 O ATOM 0 H SER A 3 -12.192 18.984 2.312 1.00 0.00 H new ATOM 0 HA SER A 3 -11.191 20.508 0.211 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.022 22.782 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.257 21.775 0.162 1.00 0.00 H new ATOM 0 HG SER A 3 -12.929 21.721 2.984 1.00 0.00 H new ATOM 30 N GLY A 4 -9.383 20.911 1.833 1.00 0.00 N ATOM 31 CA GLY A 4 -8.302 21.137 2.774 1.00 0.00 C ATOM 32 C GLY A 4 -7.011 20.468 2.346 1.00 0.00 C ATOM 33 O GLY A 4 -6.844 19.260 2.517 1.00 0.00 O ATOM 0 H GLY A 4 -9.087 20.755 0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.134 22.209 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.594 20.762 3.755 1.00 0.00 H new ATOM 37 N SER A 5 -6.095 21.252 1.786 1.00 0.00 N ATOM 38 CA SER A 5 -4.816 20.727 1.327 1.00 0.00 C ATOM 39 C SER A 5 -3.685 21.160 2.256 1.00 0.00 C ATOM 40 O SER A 5 -3.620 22.316 2.675 1.00 0.00 O ATOM 41 CB SER A 5 -4.528 21.200 -0.100 1.00 0.00 C ATOM 42 OG SER A 5 -4.101 22.550 -0.112 1.00 0.00 O ATOM 0 H SER A 5 -6.216 22.254 1.640 1.00 0.00 H new ATOM 0 HA SER A 5 -4.874 19.639 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.761 20.568 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.425 21.093 -0.710 1.00 0.00 H new ATOM 0 HG SER A 5 -3.922 22.828 -1.034 1.00 0.00 H new ATOM 48 N SER A 6 -2.798 20.224 2.575 1.00 0.00 N ATOM 49 CA SER A 6 -1.672 20.506 3.458 1.00 0.00 C ATOM 50 C SER A 6 -0.526 21.154 2.685 1.00 0.00 C ATOM 51 O SER A 6 -0.527 21.179 1.455 1.00 0.00 O ATOM 52 CB SER A 6 -1.188 19.219 4.128 1.00 0.00 C ATOM 53 OG SER A 6 -1.884 18.982 5.338 1.00 0.00 O ATOM 0 H SER A 6 -2.837 19.263 2.235 1.00 0.00 H new ATOM 0 HA SER A 6 -2.008 21.202 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.332 18.377 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.119 19.289 4.327 1.00 0.00 H new ATOM 0 HG SER A 6 -1.558 18.153 5.746 1.00 0.00 H new ATOM 59 N GLY A 7 0.452 21.677 3.419 1.00 0.00 N ATOM 60 CA GLY A 7 1.590 22.319 2.789 1.00 0.00 C ATOM 61 C GLY A 7 2.465 23.057 3.783 1.00 0.00 C ATOM 62 O GLY A 7 2.529 24.286 3.771 1.00 0.00 O ATOM 0 H GLY A 7 0.476 21.667 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.187 21.567 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.235 23.019 2.033 1.00 0.00 H new ATOM 66 N ILE A 8 3.139 22.305 4.646 1.00 0.00 N ATOM 67 CA ILE A 8 4.013 22.895 5.653 1.00 0.00 C ATOM 68 C ILE A 8 5.408 22.281 5.596 1.00 0.00 C ATOM 69 O ILE A 8 5.661 21.232 6.189 1.00 0.00 O ATOM 70 CB ILE A 8 3.442 22.714 7.071 1.00 0.00 C ATOM 71 CG1 ILE A 8 2.406 21.588 7.087 1.00 0.00 C ATOM 72 CG2 ILE A 8 2.826 24.015 7.564 1.00 0.00 C ATOM 73 CD1 ILE A 8 2.219 20.958 8.450 1.00 0.00 C ATOM 0 H ILE A 8 3.097 21.286 4.668 1.00 0.00 H new ATOM 0 HA ILE A 8 4.077 23.960 5.431 1.00 0.00 H new ATOM 0 HB ILE A 8 4.256 22.443 7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.449 21.981 6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.708 20.817 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.427 23.871 8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.589 24.794 7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.021 24.314 6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.471 20.168 8.386 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.165 20.535 8.788 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.887 21.716 9.159 1.00 0.00 H new ATOM 85 N LEU A 9 6.312 22.943 4.881 1.00 0.00 N ATOM 86 CA LEU A 9 7.682 22.464 4.749 1.00 0.00 C ATOM 87 C LEU A 9 8.620 23.601 4.356 1.00 0.00 C ATOM 88 O LEU A 9 8.179 24.713 4.065 1.00 0.00 O ATOM 89 CB LEU A 9 7.755 21.346 3.708 1.00 0.00 C ATOM 90 CG LEU A 9 6.928 20.096 4.009 1.00 0.00 C ATOM 91 CD1 LEU A 9 5.464 20.330 3.673 1.00 0.00 C ATOM 92 CD2 LEU A 9 7.470 18.900 3.238 1.00 0.00 C ATOM 0 H LEU A 9 6.120 23.813 4.384 1.00 0.00 H new ATOM 0 HA LEU A 9 7.998 22.073 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.432 21.749 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.798 21.049 3.595 1.00 0.00 H new ATOM 0 HG LEU A 9 7.004 19.881 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.891 19.429 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.082 21.158 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.368 20.571 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.870 18.019 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.424 19.106 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.505 18.718 3.529 1.00 0.00 H new ATOM 104 N THR A 10 9.919 23.315 4.348 1.00 0.00 N ATOM 105 CA THR A 10 10.919 24.312 3.989 1.00 0.00 C ATOM 106 C THR A 10 11.343 24.167 2.532 1.00 0.00 C ATOM 107 O THR A 10 11.631 25.156 1.859 1.00 0.00 O ATOM 108 CB THR A 10 12.167 24.205 4.888 1.00 0.00 C ATOM 109 OG1 THR A 10 12.087 23.027 5.697 1.00 0.00 O ATOM 110 CG2 THR A 10 12.298 25.432 5.778 1.00 0.00 C ATOM 0 H THR A 10 10.302 22.400 4.586 1.00 0.00 H new ATOM 0 HA THR A 10 10.457 25.289 4.134 1.00 0.00 H new ATOM 0 HB THR A 10 13.047 24.145 4.248 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.884 22.965 6.264 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.185 25.335 6.404 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.387 26.324 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 10 11.415 25.518 6.411 1.00 0.00 H new ATOM 118 N GLU A 11 11.378 22.928 2.051 1.00 0.00 N ATOM 119 CA GLU A 11 11.766 22.655 0.672 1.00 0.00 C ATOM 120 C GLU A 11 11.505 21.195 0.312 1.00 0.00 C ATOM 121 O GLU A 11 11.184 20.875 -0.831 1.00 0.00 O ATOM 122 CB GLU A 11 13.245 22.988 0.461 1.00 0.00 C ATOM 123 CG GLU A 11 14.191 21.949 1.040 1.00 0.00 C ATOM 124 CD GLU A 11 15.649 22.319 0.852 1.00 0.00 C ATOM 125 OE1 GLU A 11 15.969 22.970 -0.165 1.00 0.00 O ATOM 126 OE2 GLU A 11 16.470 21.959 1.722 1.00 0.00 O ATOM 0 H GLU A 11 11.143 22.098 2.595 1.00 0.00 H new ATOM 0 HA GLU A 11 11.162 23.285 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.438 23.087 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.459 23.956 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.985 21.828 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.000 20.986 0.567 1.00 0.00 H new ATOM 133 N ASN A 12 11.647 20.315 1.297 1.00 0.00 N ATOM 134 CA ASN A 12 11.428 18.888 1.085 1.00 0.00 C ATOM 135 C ASN A 12 11.440 18.132 2.411 1.00 0.00 C ATOM 136 O ASN A 12 11.735 16.937 2.455 1.00 0.00 O ATOM 137 CB ASN A 12 12.498 18.321 0.151 1.00 0.00 C ATOM 138 CG ASN A 12 11.908 17.746 -1.122 1.00 0.00 C ATOM 139 OD1 ASN A 12 12.361 16.715 -1.619 1.00 0.00 O ATOM 140 ND2 ASN A 12 10.890 18.412 -1.656 1.00 0.00 N ATOM 0 H ASN A 12 11.913 20.564 2.250 1.00 0.00 H new ATOM 0 HA ASN A 12 10.448 18.760 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 12 13.208 19.108 -0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 12 13.057 17.544 0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.452 18.073 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.547 19.263 -1.210 1.00 0.00 H new ATOM 147 N THR A 13 11.119 18.838 3.491 1.00 0.00 N ATOM 148 CA THR A 13 11.095 18.235 4.818 1.00 0.00 C ATOM 149 C THR A 13 10.642 16.781 4.752 1.00 0.00 C ATOM 150 O THR A 13 9.526 16.470 4.334 1.00 0.00 O ATOM 151 CB THR A 13 10.161 19.009 5.768 1.00 0.00 C ATOM 152 OG1 THR A 13 10.387 20.416 5.638 1.00 0.00 O ATOM 153 CG2 THR A 13 10.388 18.584 7.212 1.00 0.00 C ATOM 0 H THR A 13 10.872 19.828 3.473 1.00 0.00 H new ATOM 0 HA THR A 13 12.113 18.278 5.205 1.00 0.00 H new ATOM 0 HB THR A 13 9.130 18.781 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.788 20.901 6.244 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.718 19.143 7.865 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.187 17.517 7.313 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.422 18.787 7.493 1.00 0.00 H new ATOM 161 N PRO A 14 11.528 15.866 5.175 1.00 0.00 N ATOM 162 CA PRO A 14 11.240 14.428 5.176 1.00 0.00 C ATOM 163 C PRO A 14 10.197 14.045 6.219 1.00 0.00 C ATOM 164 O PRO A 14 9.958 14.787 7.173 1.00 0.00 O ATOM 165 CB PRO A 14 12.593 13.796 5.514 1.00 0.00 C ATOM 166 CG PRO A 14 13.326 14.852 6.267 1.00 0.00 C ATOM 167 CD PRO A 14 12.875 16.164 5.686 1.00 0.00 C ATOM 0 HA PRO A 14 10.824 14.095 4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.470 12.895 6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.132 13.507 4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.101 14.799 7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.404 14.729 6.162 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.854 16.951 6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.541 16.502 4.891 1.00 0.00 H new ATOM 175 N VAL A 15 9.579 12.882 6.034 1.00 0.00 N ATOM 176 CA VAL A 15 8.563 12.401 6.961 1.00 0.00 C ATOM 177 C VAL A 15 8.598 10.881 7.073 1.00 0.00 C ATOM 178 O VAL A 15 9.000 10.187 6.139 1.00 0.00 O ATOM 179 CB VAL A 15 7.152 12.840 6.527 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.247 13.007 7.737 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.221 14.130 5.722 1.00 0.00 C ATOM 0 H VAL A 15 9.765 12.256 5.250 1.00 0.00 H new ATOM 0 HA VAL A 15 8.788 12.840 7.933 1.00 0.00 H new ATOM 0 HB VAL A 15 6.728 12.062 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.255 13.317 7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.173 12.059 8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.663 13.765 8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.216 14.427 5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.665 14.916 6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.832 13.972 4.833 1.00 0.00 H new ATOM 191 N PHE A 16 8.171 10.367 8.223 1.00 0.00 N ATOM 192 CA PHE A 16 8.154 8.929 8.458 1.00 0.00 C ATOM 193 C PHE A 16 6.801 8.483 9.003 1.00 0.00 C ATOM 194 O PHE A 16 6.318 9.013 10.003 1.00 0.00 O ATOM 195 CB PHE A 16 9.264 8.537 9.436 1.00 0.00 C ATOM 196 CG PHE A 16 9.881 7.200 9.137 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.901 7.086 8.207 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.440 6.058 9.787 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.472 5.857 7.931 1.00 0.00 C ATOM 200 CE2 PHE A 16 10.007 4.828 9.514 1.00 0.00 C ATOM 201 CZ PHE A 16 11.024 4.727 8.585 1.00 0.00 C ATOM 0 H PHE A 16 7.832 10.926 9.006 1.00 0.00 H new ATOM 0 HA PHE A 16 8.325 8.429 7.505 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.042 9.300 9.415 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.858 8.523 10.447 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.254 7.967 7.692 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.645 6.130 10.514 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.268 5.781 7.205 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.655 3.945 10.027 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.468 3.766 8.371 1.00 0.00 H new ATOM 211 N GLU A 17 6.193 7.506 8.336 1.00 0.00 N ATOM 212 CA GLU A 17 4.894 6.990 8.753 1.00 0.00 C ATOM 213 C GLU A 17 4.841 5.472 8.611 1.00 0.00 C ATOM 214 O GLU A 17 5.459 4.901 7.712 1.00 0.00 O ATOM 215 CB GLU A 17 3.777 7.630 7.924 1.00 0.00 C ATOM 216 CG GLU A 17 2.573 8.051 8.749 1.00 0.00 C ATOM 217 CD GLU A 17 2.341 9.549 8.722 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.376 10.135 7.620 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.126 10.135 9.804 1.00 0.00 O ATOM 0 H GLU A 17 6.579 7.057 7.506 1.00 0.00 H new ATOM 0 HA GLU A 17 4.750 7.245 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.175 8.502 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.454 6.924 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.685 7.543 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.713 7.728 9.780 1.00 0.00 H new ATOM 226 N GLN A 18 4.101 4.826 9.506 1.00 0.00 N ATOM 227 CA GLN A 18 3.968 3.375 9.482 1.00 0.00 C ATOM 228 C GLN A 18 2.530 2.964 9.186 1.00 0.00 C ATOM 229 O GLN A 18 1.583 3.578 9.680 1.00 0.00 O ATOM 230 CB GLN A 18 4.417 2.778 10.817 1.00 0.00 C ATOM 231 CG GLN A 18 5.817 2.187 10.780 1.00 0.00 C ATOM 232 CD GLN A 18 5.951 0.949 11.646 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.602 -0.078 11.114 1.00 0.00 O flip ATOM 234 NE2 GLN A 18 5.475 0.918 12.782 1.00 0.00 N flip ATOM 0 H GLN A 18 3.585 5.285 10.257 1.00 0.00 H new ATOM 0 HA GLN A 18 4.607 2.991 8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.379 3.553 11.583 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.712 2.002 11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.074 1.936 9.751 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.533 2.938 11.113 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.982 1.731 13.151 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.574 0.079 13.354 1.00 0.00 H new ATOM 243 N LEU A 19 2.372 1.922 8.377 1.00 0.00 N ATOM 244 CA LEU A 19 1.047 1.428 8.015 1.00 0.00 C ATOM 245 C LEU A 19 0.993 -0.094 8.096 1.00 0.00 C ATOM 246 O LEU A 19 1.736 -0.790 7.404 1.00 0.00 O ATOM 247 CB LEU A 19 0.679 1.888 6.603 1.00 0.00 C ATOM 248 CG LEU A 19 -0.435 2.931 6.507 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.054 4.191 7.269 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.736 3.258 5.052 1.00 0.00 C ATOM 0 H LEU A 19 3.144 1.403 7.959 1.00 0.00 H new ATOM 0 HA LEU A 19 0.327 1.837 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.573 2.295 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.382 1.014 6.023 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.335 2.515 6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.859 4.922 7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.111 3.946 8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.859 4.610 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.531 4.002 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.161 3.654 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.053 2.353 4.534 1.00 0.00 H new ATOM 262 N SER A 20 0.106 -0.605 8.944 1.00 0.00 N ATOM 263 CA SER A 20 -0.045 -2.044 9.117 1.00 0.00 C ATOM 264 C SER A 20 -1.034 -2.612 8.105 1.00 0.00 C ATOM 265 O SER A 20 -2.194 -2.202 8.055 1.00 0.00 O ATOM 266 CB SER A 20 -0.513 -2.362 10.538 1.00 0.00 C ATOM 267 OG SER A 20 -1.917 -2.551 10.583 1.00 0.00 O ATOM 0 H SER A 20 -0.519 -0.043 9.522 1.00 0.00 H new ATOM 0 HA SER A 20 0.927 -2.509 8.950 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.010 -3.260 10.897 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.231 -1.549 11.207 1.00 0.00 H new ATOM 0 HG SER A 20 -2.330 -2.117 9.808 1.00 0.00 H new ATOM 273 N VAL A 21 -0.568 -3.560 7.297 1.00 0.00 N ATOM 274 CA VAL A 21 -1.410 -4.186 6.286 1.00 0.00 C ATOM 275 C VAL A 21 -1.454 -5.699 6.466 1.00 0.00 C ATOM 276 O VAL A 21 -0.514 -6.317 6.966 1.00 0.00 O ATOM 277 CB VAL A 21 -0.915 -3.864 4.864 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.578 -2.386 4.737 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.289 -4.725 4.513 1.00 0.00 C ATOM 0 H VAL A 21 0.389 -3.911 7.324 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.413 -3.778 6.415 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.715 -4.091 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.230 -2.178 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.467 -1.791 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.205 -2.129 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.626 -4.485 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.094 -4.530 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.010 -5.778 4.561 1.00 0.00 H new ATOM 289 N PRO A 22 -2.572 -6.314 6.049 1.00 0.00 N ATOM 290 CA PRO A 22 -2.764 -7.763 6.153 1.00 0.00 C ATOM 291 C PRO A 22 -1.864 -8.537 5.196 1.00 0.00 C ATOM 292 O PRO A 22 -1.521 -8.048 4.121 1.00 0.00 O ATOM 293 CB PRO A 22 -4.236 -7.953 5.775 1.00 0.00 C ATOM 294 CG PRO A 22 -4.561 -6.780 4.918 1.00 0.00 C ATOM 295 CD PRO A 22 -3.732 -5.639 5.443 1.00 0.00 C ATOM 0 HA PRO A 22 -2.512 -8.138 7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.389 -8.890 5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.871 -7.985 6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.327 -6.984 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.624 -6.544 4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.431 -4.960 4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.281 -5.047 6.175 1.00 0.00 H new ATOM 303 N GLN A 23 -1.487 -9.747 5.596 1.00 0.00 N ATOM 304 CA GLN A 23 -0.626 -10.589 4.772 1.00 0.00 C ATOM 305 C GLN A 23 -1.416 -11.224 3.632 1.00 0.00 C ATOM 306 O GLN A 23 -0.844 -11.861 2.748 1.00 0.00 O ATOM 307 CB GLN A 23 0.024 -11.679 5.626 1.00 0.00 C ATOM 308 CG GLN A 23 -0.898 -12.848 5.927 1.00 0.00 C ATOM 309 CD GLN A 23 -0.317 -14.178 5.488 1.00 0.00 C ATOM 310 OE1 GLN A 23 0.789 -14.575 6.109 1.00 0.00 O flip ATOM 311 NE2 GLN A 23 -0.854 -14.842 4.602 1.00 0.00 N flip ATOM 0 H GLN A 23 -1.763 -10.166 6.484 1.00 0.00 H new ATOM 0 HA GLN A 23 0.154 -9.959 4.343 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.911 -12.050 5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.359 -11.241 6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.100 -12.880 6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.853 -12.690 5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.703 -14.500 4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.451 -15.735 4.318 1.00 0.00 H new ATOM 320 N ARG A 24 -2.732 -11.047 3.660 1.00 0.00 N ATOM 321 CA ARG A 24 -3.600 -11.603 2.629 1.00 0.00 C ATOM 322 C ARG A 24 -3.705 -10.656 1.437 1.00 0.00 C ATOM 323 O ARG A 24 -3.967 -11.084 0.313 1.00 0.00 O ATOM 324 CB ARG A 24 -4.992 -11.879 3.199 1.00 0.00 C ATOM 325 CG ARG A 24 -5.564 -10.720 3.998 1.00 0.00 C ATOM 326 CD ARG A 24 -7.083 -10.687 3.925 1.00 0.00 C ATOM 327 NE ARG A 24 -7.652 -9.677 4.812 1.00 0.00 N ATOM 328 CZ ARG A 24 -8.956 -9.444 4.919 1.00 0.00 C ATOM 329 NH1 ARG A 24 -9.820 -10.147 4.200 1.00 0.00 N ATOM 330 NH2 ARG A 24 -9.397 -8.506 5.748 1.00 0.00 N ATOM 0 H ARG A 24 -3.221 -10.523 4.386 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.162 -12.541 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.671 -12.114 2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.945 -12.761 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.251 -10.805 5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.160 -9.781 3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.392 -10.484 2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.480 -11.667 4.190 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.014 -9.120 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.485 -10.869 3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.820 -9.966 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.735 -7.964 6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.398 -8.327 5.830 1.00 0.00 H new ATOM 344 N SER A 25 -3.499 -9.369 1.691 1.00 0.00 N ATOM 345 CA SER A 25 -3.574 -8.361 0.640 1.00 0.00 C ATOM 346 C SER A 25 -2.192 -7.798 0.327 1.00 0.00 C ATOM 347 O SER A 25 -2.022 -7.028 -0.619 1.00 0.00 O ATOM 348 CB SER A 25 -4.515 -7.228 1.057 1.00 0.00 C ATOM 349 OG SER A 25 -5.739 -7.739 1.556 1.00 0.00 O ATOM 0 H SER A 25 -3.279 -8.999 2.616 1.00 0.00 H new ATOM 0 HA SER A 25 -3.965 -8.838 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.035 -6.615 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.709 -6.580 0.203 1.00 0.00 H new ATOM 0 HG SER A 25 -6.322 -6.996 1.817 1.00 0.00 H new ATOM 355 N VAL A 26 -1.205 -8.188 1.127 1.00 0.00 N ATOM 356 CA VAL A 26 0.164 -7.724 0.936 1.00 0.00 C ATOM 357 C VAL A 26 0.753 -8.271 -0.360 1.00 0.00 C ATOM 358 O VAL A 26 1.590 -7.629 -0.993 1.00 0.00 O ATOM 359 CB VAL A 26 1.067 -8.141 2.112 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.455 -9.606 1.996 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.303 -7.255 2.173 1.00 0.00 C ATOM 0 H VAL A 26 -1.328 -8.825 1.914 1.00 0.00 H new ATOM 0 HA VAL A 26 0.125 -6.636 0.885 1.00 0.00 H new ATOM 0 HB VAL A 26 0.509 -8.012 3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.093 -9.881 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.556 -10.222 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.995 -9.767 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.930 -7.563 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.865 -7.350 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.000 -6.217 2.310 1.00 0.00 H new ATOM 371 N GLY A 27 0.309 -9.463 -0.749 1.00 0.00 N ATOM 372 CA GLY A 27 0.802 -10.076 -1.969 1.00 0.00 C ATOM 373 C GLY A 27 0.409 -9.299 -3.209 1.00 0.00 C ATOM 374 O GLY A 27 1.032 -9.438 -4.261 1.00 0.00 O ATOM 0 H GLY A 27 -0.383 -10.015 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.888 -10.151 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.415 -11.092 -2.043 1.00 0.00 H new ATOM 378 N ARG A 28 -0.630 -8.479 -3.088 1.00 0.00 N ATOM 379 CA ARG A 28 -1.107 -7.679 -4.208 1.00 0.00 C ATOM 380 C ARG A 28 -0.463 -6.295 -4.203 1.00 0.00 C ATOM 381 O ARG A 28 -0.238 -5.702 -5.258 1.00 0.00 O ATOM 382 CB ARG A 28 -2.631 -7.544 -4.154 1.00 0.00 C ATOM 383 CG ARG A 28 -3.225 -6.859 -5.374 1.00 0.00 C ATOM 384 CD ARG A 28 -3.890 -7.861 -6.305 1.00 0.00 C ATOM 385 NE ARG A 28 -3.010 -8.257 -7.400 1.00 0.00 N ATOM 386 CZ ARG A 28 -3.397 -9.024 -8.414 1.00 0.00 C ATOM 387 NH1 ARG A 28 -4.643 -9.474 -8.471 1.00 0.00 N ATOM 388 NH2 ARG A 28 -2.537 -9.341 -9.374 1.00 0.00 N ATOM 0 H ARG A 28 -1.158 -8.352 -2.224 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.826 -8.188 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.072 -8.536 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.906 -6.981 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.956 -6.115 -5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.441 -6.326 -5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.183 -8.744 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.803 -7.427 -6.712 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.045 -7.927 -7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.307 -9.232 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.938 -10.062 -9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.578 -8.996 -9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.835 -9.930 -10.152 1.00 0.00 H new ATOM 402 N ILE A 29 -0.170 -5.790 -3.010 1.00 0.00 N ATOM 403 CA ILE A 29 0.449 -4.478 -2.868 1.00 0.00 C ATOM 404 C ILE A 29 1.924 -4.522 -3.252 1.00 0.00 C ATOM 405 O ILE A 29 2.397 -3.695 -4.033 1.00 0.00 O ATOM 406 CB ILE A 29 0.320 -3.948 -1.428 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.140 -3.994 -0.974 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.864 -2.529 -1.336 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.303 -4.238 0.510 1.00 0.00 C ATOM 0 H ILE A 29 -0.351 -6.269 -2.128 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.079 -3.805 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 29 0.907 -4.586 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.623 -3.052 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.658 -4.781 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.766 -2.167 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.915 -2.523 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.301 -1.879 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.363 -4.258 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.849 -5.193 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.814 -3.438 1.066 1.00 0.00 H new ATOM 421 N ILE A 30 2.645 -5.491 -2.700 1.00 0.00 N ATOM 422 CA ILE A 30 4.066 -5.643 -2.986 1.00 0.00 C ATOM 423 C ILE A 30 4.286 -6.231 -4.376 1.00 0.00 C ATOM 424 O ILE A 30 5.319 -6.001 -5.003 1.00 0.00 O ATOM 425 CB ILE A 30 4.756 -6.544 -1.944 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.933 -5.791 -0.625 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.099 -7.027 -2.470 1.00 0.00 C ATOM 428 CD1 ILE A 30 5.959 -6.416 0.294 1.00 0.00 C ATOM 0 H ILE A 30 2.269 -6.183 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 30 4.506 -4.647 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 30 4.125 -7.414 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.227 -4.763 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.974 -5.747 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.575 -7.662 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.947 -7.596 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.739 -6.169 -2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.032 -5.830 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.656 -7.434 0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.929 -6.435 -0.203 1.00 0.00 H new ATOM 440 N GLY A 31 3.305 -6.993 -4.852 1.00 0.00 N ATOM 441 CA GLY A 31 3.410 -7.602 -6.166 1.00 0.00 C ATOM 442 C GLY A 31 3.985 -9.004 -6.112 1.00 0.00 C ATOM 443 O GLY A 31 3.804 -9.718 -5.126 1.00 0.00 O ATOM 0 H GLY A 31 2.440 -7.199 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.423 -7.635 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.039 -6.979 -6.802 1.00 0.00 H new ATOM 447 N ARG A 32 4.680 -9.398 -7.174 1.00 0.00 N ATOM 448 CA ARG A 32 5.280 -10.725 -7.243 1.00 0.00 C ATOM 449 C ARG A 32 6.722 -10.697 -6.744 1.00 0.00 C ATOM 450 O ARG A 32 7.580 -11.414 -7.255 1.00 0.00 O ATOM 451 CB ARG A 32 5.237 -11.252 -8.680 1.00 0.00 C ATOM 452 CG ARG A 32 6.310 -10.659 -9.578 1.00 0.00 C ATOM 453 CD ARG A 32 7.276 -11.724 -10.070 1.00 0.00 C ATOM 454 NE ARG A 32 8.656 -11.246 -10.088 1.00 0.00 N ATOM 455 CZ ARG A 32 9.657 -11.911 -10.651 1.00 0.00 C ATOM 456 NH1 ARG A 32 9.435 -13.078 -11.240 1.00 0.00 N ATOM 457 NH2 ARG A 32 10.886 -11.411 -10.626 1.00 0.00 N ATOM 0 H ARG A 32 4.841 -8.818 -7.997 1.00 0.00 H new ATOM 0 HA ARG A 32 4.704 -11.391 -6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.347 -12.336 -8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.258 -11.037 -9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.842 -10.169 -10.432 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.860 -9.892 -9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.205 -12.602 -9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.988 -12.039 -11.073 1.00 0.00 H new ATOM 0 HE ARG A 32 8.862 -10.351 -9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.492 -13.467 -11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.207 -13.586 -11.672 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.063 -10.514 -10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.654 -11.924 -11.059 1.00 0.00 H new ATOM 471 N GLY A 33 6.979 -9.862 -5.742 1.00 0.00 N ATOM 472 CA GLY A 33 8.317 -9.755 -5.191 1.00 0.00 C ATOM 473 C GLY A 33 8.782 -8.316 -5.070 1.00 0.00 C ATOM 474 O GLY A 33 9.885 -8.051 -4.596 1.00 0.00 O ATOM 0 H GLY A 33 6.285 -9.258 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.340 -10.225 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.012 -10.306 -5.824 1.00 0.00 H new ATOM 478 N GLY A 34 7.938 -7.385 -5.505 1.00 0.00 N ATOM 479 CA GLY A 34 8.286 -5.978 -5.437 1.00 0.00 C ATOM 480 C GLY A 34 7.887 -5.221 -6.688 1.00 0.00 C ATOM 481 O GLY A 34 7.616 -4.022 -6.635 1.00 0.00 O ATOM 0 H GLY A 34 7.020 -7.580 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.798 -5.528 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.361 -5.880 -5.284 1.00 0.00 H new ATOM 485 N GLU A 35 7.854 -5.922 -7.816 1.00 0.00 N ATOM 486 CA GLU A 35 7.487 -5.306 -9.087 1.00 0.00 C ATOM 487 C GLU A 35 6.391 -4.264 -8.890 1.00 0.00 C ATOM 488 O GLU A 35 6.314 -3.279 -9.626 1.00 0.00 O ATOM 489 CB GLU A 35 7.021 -6.372 -10.080 1.00 0.00 C ATOM 490 CG GLU A 35 5.575 -6.797 -9.883 1.00 0.00 C ATOM 491 CD GLU A 35 5.062 -7.666 -11.015 1.00 0.00 C ATOM 492 OE1 GLU A 35 5.699 -7.676 -12.090 1.00 0.00 O ATOM 493 OE2 GLU A 35 4.026 -8.336 -10.827 1.00 0.00 O ATOM 0 H GLU A 35 8.076 -6.916 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 35 8.370 -4.808 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.144 -5.991 -11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.664 -7.247 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.485 -7.341 -8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.948 -5.910 -9.799 1.00 0.00 H new ATOM 500 N THR A 36 5.542 -4.487 -7.891 1.00 0.00 N ATOM 501 CA THR A 36 4.448 -3.570 -7.599 1.00 0.00 C ATOM 502 C THR A 36 4.859 -2.542 -6.550 1.00 0.00 C ATOM 503 O THR A 36 4.453 -1.382 -6.613 1.00 0.00 O ATOM 504 CB THR A 36 3.200 -4.324 -7.100 1.00 0.00 C ATOM 505 OG1 THR A 36 2.812 -5.316 -8.058 1.00 0.00 O ATOM 506 CG2 THR A 36 2.046 -3.363 -6.863 1.00 0.00 C ATOM 0 H THR A 36 5.592 -5.295 -7.271 1.00 0.00 H new ATOM 0 HA THR A 36 4.206 -3.059 -8.531 1.00 0.00 H new ATOM 0 HB THR A 36 3.448 -4.808 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.019 -5.792 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.176 -3.918 -6.511 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.334 -2.627 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.799 -2.854 -7.795 1.00 0.00 H new ATOM 514 N ILE A 37 5.666 -2.976 -5.588 1.00 0.00 N ATOM 515 CA ILE A 37 6.133 -2.092 -4.527 1.00 0.00 C ATOM 516 C ILE A 37 7.137 -1.077 -5.060 1.00 0.00 C ATOM 517 O ILE A 37 7.436 -0.079 -4.402 1.00 0.00 O ATOM 518 CB ILE A 37 6.782 -2.886 -3.378 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.583 -2.155 -2.048 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.262 -3.102 -3.653 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.130 -1.898 -1.710 1.00 0.00 C ATOM 0 H ILE A 37 6.010 -3.934 -5.521 1.00 0.00 H new ATOM 0 HA ILE A 37 5.258 -1.567 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 37 6.299 -3.861 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.035 -2.742 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.113 -1.203 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.706 -3.665 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.382 -3.660 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.760 -2.137 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.065 -1.377 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.678 -1.284 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.599 -2.847 -1.642 1.00 0.00 H new ATOM 533 N ARG A 38 7.655 -1.336 -6.255 1.00 0.00 N ATOM 534 CA ARG A 38 8.626 -0.445 -6.877 1.00 0.00 C ATOM 535 C ARG A 38 7.926 0.640 -7.691 1.00 0.00 C ATOM 536 O ARG A 38 8.321 1.805 -7.660 1.00 0.00 O ATOM 537 CB ARG A 38 9.576 -1.238 -7.777 1.00 0.00 C ATOM 538 CG ARG A 38 10.380 -2.292 -7.034 1.00 0.00 C ATOM 539 CD ARG A 38 11.716 -2.555 -7.711 1.00 0.00 C ATOM 540 NE ARG A 38 12.755 -2.914 -6.750 1.00 0.00 N ATOM 541 CZ ARG A 38 14.011 -3.186 -7.093 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.378 -3.140 -8.366 1.00 0.00 N ATOM 543 NH2 ARG A 38 14.899 -3.505 -6.160 1.00 0.00 N ATOM 0 H ARG A 38 7.418 -2.157 -6.813 1.00 0.00 H new ATOM 0 HA ARG A 38 9.201 0.033 -6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.998 -1.722 -8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.263 -0.546 -8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.549 -1.965 -6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.808 -3.219 -6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.602 -3.359 -8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.024 -1.667 -8.263 1.00 0.00 H new ATOM 0 HE ARG A 38 12.504 -2.959 -5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.697 -2.896 -9.085 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.342 -3.349 -8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.618 -3.542 -5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.862 -3.714 -6.423 1.00 0.00 H new ATOM 557 N SER A 39 6.885 0.248 -8.418 1.00 0.00 N ATOM 558 CA SER A 39 6.132 1.185 -9.242 1.00 0.00 C ATOM 559 C SER A 39 5.459 2.249 -8.380 1.00 0.00 C ATOM 560 O SER A 39 5.256 3.382 -8.819 1.00 0.00 O ATOM 561 CB SER A 39 5.080 0.441 -10.067 1.00 0.00 C ATOM 562 OG SER A 39 5.226 0.717 -11.449 1.00 0.00 O ATOM 0 H SER A 39 6.544 -0.713 -8.453 1.00 0.00 H new ATOM 0 HA SER A 39 6.831 1.678 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.171 -0.632 -9.896 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.083 0.733 -9.738 1.00 0.00 H new ATOM 0 HG SER A 39 4.543 0.228 -11.954 1.00 0.00 H new ATOM 568 N ILE A 40 5.116 1.875 -7.152 1.00 0.00 N ATOM 569 CA ILE A 40 4.467 2.797 -6.227 1.00 0.00 C ATOM 570 C ILE A 40 5.457 3.826 -5.693 1.00 0.00 C ATOM 571 O ILE A 40 5.210 5.030 -5.755 1.00 0.00 O ATOM 572 CB ILE A 40 3.830 2.048 -5.041 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.851 0.987 -5.547 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.126 3.027 -4.114 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.494 -0.050 -4.505 1.00 0.00 C ATOM 0 H ILE A 40 5.276 0.941 -6.774 1.00 0.00 H new ATOM 0 HA ILE A 40 3.683 3.308 -6.786 1.00 0.00 H new ATOM 0 HB ILE A 40 4.619 1.549 -4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.939 1.478 -5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.285 0.487 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.681 2.483 -3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.847 3.749 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.345 3.551 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.797 -0.770 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.397 -0.567 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.030 0.439 -3.648 1.00 0.00 H new ATOM 587 N CYS A 41 6.578 3.343 -5.168 1.00 0.00 N ATOM 588 CA CYS A 41 7.607 4.222 -4.622 1.00 0.00 C ATOM 589 C CYS A 41 7.982 5.309 -5.625 1.00 0.00 C ATOM 590 O CYS A 41 8.331 6.426 -5.244 1.00 0.00 O ATOM 591 CB CYS A 41 8.848 3.412 -4.241 1.00 0.00 C ATOM 592 SG CYS A 41 8.534 2.106 -3.031 1.00 0.00 S ATOM 0 H CYS A 41 6.798 2.349 -5.109 1.00 0.00 H new ATOM 0 HA CYS A 41 7.206 4.701 -3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.267 2.964 -5.142 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.602 4.090 -3.841 1.00 0.00 H new ATOM 0 HG CYS A 41 8.080 1.051 -3.639 1.00 0.00 H new ATOM 598 N LYS A 42 7.908 4.972 -6.908 1.00 0.00 N ATOM 599 CA LYS A 42 8.240 5.919 -7.967 1.00 0.00 C ATOM 600 C LYS A 42 7.034 6.783 -8.322 1.00 0.00 C ATOM 601 O LYS A 42 7.181 7.947 -8.693 1.00 0.00 O ATOM 602 CB LYS A 42 8.728 5.173 -9.211 1.00 0.00 C ATOM 603 CG LYS A 42 7.615 4.496 -9.991 1.00 0.00 C ATOM 604 CD LYS A 42 8.015 4.251 -11.437 1.00 0.00 C ATOM 605 CE LYS A 42 8.970 3.074 -11.558 1.00 0.00 C ATOM 606 NZ LYS A 42 9.778 3.141 -12.808 1.00 0.00 N ATOM 0 H LYS A 42 7.621 4.051 -7.240 1.00 0.00 H new ATOM 0 HA LYS A 42 9.036 6.568 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.244 5.875 -9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.458 4.422 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.362 3.548 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.719 5.116 -9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.124 4.061 -12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.486 5.147 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.636 3.057 -10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.403 2.143 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.416 2.321 -12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.144 3.132 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.339 4.017 -12.812 1.00 0.00 H new ATOM 620 N ALA A 43 5.843 6.207 -8.202 1.00 0.00 N ATOM 621 CA ALA A 43 4.612 6.927 -8.507 1.00 0.00 C ATOM 622 C ALA A 43 4.324 7.991 -7.453 1.00 0.00 C ATOM 623 O ALA A 43 3.675 8.999 -7.736 1.00 0.00 O ATOM 624 CB ALA A 43 3.445 5.956 -8.611 1.00 0.00 C ATOM 0 H ALA A 43 5.704 5.244 -7.896 1.00 0.00 H new ATOM 0 HA ALA A 43 4.741 7.428 -9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.533 6.507 -8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.641 5.235 -9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.324 5.430 -7.664 1.00 0.00 H new ATOM 630 N SER A 44 4.810 7.761 -6.237 1.00 0.00 N ATOM 631 CA SER A 44 4.600 8.699 -5.141 1.00 0.00 C ATOM 632 C SER A 44 5.874 9.488 -4.850 1.00 0.00 C ATOM 633 O SER A 44 5.821 10.671 -4.517 1.00 0.00 O ATOM 634 CB SER A 44 4.151 7.953 -3.883 1.00 0.00 C ATOM 635 OG SER A 44 5.044 6.897 -3.569 1.00 0.00 O ATOM 0 H SER A 44 5.351 6.934 -5.987 1.00 0.00 H new ATOM 0 HA SER A 44 3.819 9.399 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.096 8.648 -3.045 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.148 7.553 -4.032 1.00 0.00 H new ATOM 0 HG SER A 44 4.980 6.200 -4.255 1.00 0.00 H new ATOM 641 N GLY A 45 7.017 8.823 -4.980 1.00 0.00 N ATOM 642 CA GLY A 45 8.288 9.476 -4.727 1.00 0.00 C ATOM 643 C GLY A 45 8.835 9.168 -3.348 1.00 0.00 C ATOM 644 O GLY A 45 9.951 9.563 -3.013 1.00 0.00 O ATOM 0 H GLY A 45 7.086 7.843 -5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.011 9.161 -5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.166 10.554 -4.834 1.00 0.00 H new ATOM 648 N ALA A 46 8.045 8.464 -2.544 1.00 0.00 N ATOM 649 CA ALA A 46 8.456 8.103 -1.193 1.00 0.00 C ATOM 650 C ALA A 46 8.867 6.636 -1.117 1.00 0.00 C ATOM 651 O ALA A 46 8.384 5.805 -1.885 1.00 0.00 O ATOM 652 CB ALA A 46 7.336 8.391 -0.205 1.00 0.00 C ATOM 0 H ALA A 46 7.116 8.132 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 46 9.322 8.710 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.657 8.116 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.093 9.453 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.454 7.810 -0.475 1.00 0.00 H new ATOM 658 N LYS A 47 9.762 6.325 -0.185 1.00 0.00 N ATOM 659 CA LYS A 47 10.238 4.959 -0.007 1.00 0.00 C ATOM 660 C LYS A 47 9.265 4.151 0.846 1.00 0.00 C ATOM 661 O LYS A 47 8.824 4.606 1.901 1.00 0.00 O ATOM 662 CB LYS A 47 11.623 4.960 0.643 1.00 0.00 C ATOM 663 CG LYS A 47 12.007 3.626 1.259 1.00 0.00 C ATOM 664 CD LYS A 47 12.328 2.591 0.194 1.00 0.00 C ATOM 665 CE LYS A 47 12.019 1.182 0.675 1.00 0.00 C ATOM 666 NZ LYS A 47 13.257 0.384 0.890 1.00 0.00 N ATOM 0 H LYS A 47 10.172 7.001 0.459 1.00 0.00 H new ATOM 0 HA LYS A 47 10.305 4.493 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.366 5.232 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.652 5.729 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.871 3.760 1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.191 3.265 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.752 2.804 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.381 2.661 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.453 1.232 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.386 0.680 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.003 -0.570 1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.785 0.314 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.850 0.849 1.607 1.00 0.00 H new ATOM 680 N ILE A 48 8.935 2.949 0.382 1.00 0.00 N ATOM 681 CA ILE A 48 8.017 2.078 1.105 1.00 0.00 C ATOM 682 C ILE A 48 8.630 0.699 1.328 1.00 0.00 C ATOM 683 O ILE A 48 9.078 0.045 0.385 1.00 0.00 O ATOM 684 CB ILE A 48 6.683 1.919 0.352 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.012 3.281 0.167 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.764 0.967 1.101 1.00 0.00 C ATOM 687 CD1 ILE A 48 5.789 3.653 -1.283 1.00 0.00 C ATOM 0 H ILE A 48 9.290 2.557 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 48 7.827 2.549 2.069 1.00 0.00 H new ATOM 0 HB ILE A 48 6.885 1.498 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.053 3.278 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.627 4.047 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.825 0.864 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.242 -0.009 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.565 1.362 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.310 4.630 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.747 3.689 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.149 2.908 -1.756 1.00 0.00 H new ATOM 699 N THR A 49 8.643 0.260 2.583 1.00 0.00 N ATOM 700 CA THR A 49 9.199 -1.041 2.932 1.00 0.00 C ATOM 701 C THR A 49 8.258 -1.813 3.849 1.00 0.00 C ATOM 702 O THR A 49 7.351 -1.237 4.450 1.00 0.00 O ATOM 703 CB THR A 49 10.570 -0.900 3.621 1.00 0.00 C ATOM 704 OG1 THR A 49 11.222 -2.173 3.678 1.00 0.00 O ATOM 705 CG2 THR A 49 10.413 -0.342 5.027 1.00 0.00 C ATOM 0 H THR A 49 8.274 0.787 3.375 1.00 0.00 H new ATOM 0 HA THR A 49 9.325 -1.591 2.000 1.00 0.00 H new ATOM 0 HB THR A 49 11.176 -0.207 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.093 -2.075 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.394 -0.251 5.494 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.942 0.640 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.791 -1.014 5.618 1.00 0.00 H new ATOM 713 N CYS A 50 8.480 -3.119 3.953 1.00 0.00 N ATOM 714 CA CYS A 50 7.651 -3.970 4.798 1.00 0.00 C ATOM 715 C CYS A 50 8.397 -4.367 6.068 1.00 0.00 C ATOM 716 O CYS A 50 9.604 -4.605 6.043 1.00 0.00 O ATOM 717 CB CYS A 50 7.222 -5.223 4.032 1.00 0.00 C ATOM 718 SG CYS A 50 8.593 -6.307 3.565 1.00 0.00 S ATOM 0 H CYS A 50 9.227 -3.611 3.463 1.00 0.00 H new ATOM 0 HA CYS A 50 6.763 -3.404 5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.519 -5.787 4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.689 -4.920 3.131 1.00 0.00 H new ATOM 0 HG CYS A 50 9.602 -6.096 4.356 1.00 0.00 H new ATOM 724 N ASP A 51 7.669 -4.434 7.178 1.00 0.00 N ATOM 725 CA ASP A 51 8.261 -4.799 8.460 1.00 0.00 C ATOM 726 C ASP A 51 9.335 -5.868 8.276 1.00 0.00 C ATOM 727 O ASP A 51 9.319 -6.619 7.302 1.00 0.00 O ATOM 728 CB ASP A 51 7.183 -5.303 9.419 1.00 0.00 C ATOM 729 CG ASP A 51 7.349 -4.749 10.820 1.00 0.00 C ATOM 730 OD1 ASP A 51 7.915 -3.644 10.959 1.00 0.00 O ATOM 731 OD2 ASP A 51 6.913 -5.420 11.779 1.00 0.00 O ATOM 0 H ASP A 51 6.668 -4.240 7.216 1.00 0.00 H new ATOM 0 HA ASP A 51 8.726 -3.909 8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.201 -5.025 9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.214 -6.392 9.456 1.00 0.00 H new ATOM 736 N LYS A 52 10.269 -5.928 9.219 1.00 0.00 N ATOM 737 CA LYS A 52 11.351 -6.903 9.163 1.00 0.00 C ATOM 738 C LYS A 52 11.558 -7.566 10.522 1.00 0.00 C ATOM 739 O LYS A 52 11.651 -8.788 10.617 1.00 0.00 O ATOM 740 CB LYS A 52 12.649 -6.230 8.710 1.00 0.00 C ATOM 741 CG LYS A 52 12.861 -4.850 9.309 1.00 0.00 C ATOM 742 CD LYS A 52 14.146 -4.783 10.117 1.00 0.00 C ATOM 743 CE LYS A 52 14.620 -3.349 10.292 1.00 0.00 C ATOM 744 NZ LYS A 52 14.129 -2.753 11.566 1.00 0.00 N ATOM 0 H LYS A 52 10.298 -5.312 10.032 1.00 0.00 H new ATOM 0 HA LYS A 52 11.076 -7.672 8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.492 -6.867 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.646 -6.148 7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.893 -4.107 8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.015 -4.596 9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.986 -5.236 11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.921 -5.365 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.710 -3.322 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.273 -2.747 9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.474 -1.775 11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.089 -2.755 11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.481 -3.312 12.369 1.00 0.00 H new ATOM 758 N GLU A 53 11.627 -6.749 11.569 1.00 0.00 N ATOM 759 CA GLU A 53 11.821 -7.259 12.922 1.00 0.00 C ATOM 760 C GLU A 53 11.024 -8.541 13.140 1.00 0.00 C ATOM 761 O GLU A 53 11.394 -9.383 13.957 1.00 0.00 O ATOM 762 CB GLU A 53 11.406 -6.205 13.950 1.00 0.00 C ATOM 763 CG GLU A 53 12.538 -5.283 14.369 1.00 0.00 C ATOM 764 CD GLU A 53 13.369 -5.857 15.501 1.00 0.00 C ATOM 765 OE1 GLU A 53 12.887 -5.850 16.653 1.00 0.00 O ATOM 766 OE2 GLU A 53 14.502 -6.310 15.236 1.00 0.00 O ATOM 0 H GLU A 53 11.552 -5.734 11.507 1.00 0.00 H new ATOM 0 HA GLU A 53 12.880 -7.485 13.050 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.595 -5.606 13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.012 -6.707 14.834 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.182 -5.092 13.511 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.124 -4.323 14.677 1.00 0.00 H new ATOM 773 N SER A 54 9.927 -8.682 12.403 1.00 0.00 N ATOM 774 CA SER A 54 9.074 -9.859 12.518 1.00 0.00 C ATOM 775 C SER A 54 9.528 -10.955 11.558 1.00 0.00 C ATOM 776 O SER A 54 10.105 -10.674 10.509 1.00 0.00 O ATOM 777 CB SER A 54 7.617 -9.489 12.235 1.00 0.00 C ATOM 778 OG SER A 54 7.414 -9.234 10.856 1.00 0.00 O ATOM 0 H SER A 54 9.608 -7.995 11.720 1.00 0.00 H new ATOM 0 HA SER A 54 9.154 -10.237 13.537 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.963 -10.299 12.558 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.343 -8.608 12.815 1.00 0.00 H new ATOM 0 HG SER A 54 6.475 -9.001 10.701 1.00 0.00 H new ATOM 784 N GLU A 55 9.261 -12.204 11.929 1.00 0.00 N ATOM 785 CA GLU A 55 9.643 -13.342 11.100 1.00 0.00 C ATOM 786 C GLU A 55 9.245 -13.115 9.645 1.00 0.00 C ATOM 787 O GLU A 55 9.939 -13.546 8.726 1.00 0.00 O ATOM 788 CB GLU A 55 8.991 -14.623 11.625 1.00 0.00 C ATOM 789 CG GLU A 55 9.960 -15.551 12.340 1.00 0.00 C ATOM 790 CD GLU A 55 9.454 -15.987 13.700 1.00 0.00 C ATOM 791 OE1 GLU A 55 9.312 -15.119 14.587 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.200 -17.196 13.880 1.00 0.00 O ATOM 0 H GLU A 55 8.783 -12.453 12.795 1.00 0.00 H new ATOM 0 HA GLU A 55 10.727 -13.447 11.149 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.185 -14.356 12.309 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.537 -15.158 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.136 -16.432 11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.919 -15.047 12.458 1.00 0.00 H new ATOM 799 N GLY A 56 8.120 -12.433 9.445 1.00 0.00 N ATOM 800 CA GLY A 56 7.648 -12.161 8.100 1.00 0.00 C ATOM 801 C GLY A 56 7.490 -13.422 7.274 1.00 0.00 C ATOM 802 O GLY A 56 7.786 -13.432 6.079 1.00 0.00 O ATOM 0 H GLY A 56 7.528 -12.065 10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.691 -11.643 8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.347 -11.490 7.602 1.00 0.00 H new ATOM 806 N THR A 57 7.023 -14.491 7.913 1.00 0.00 N ATOM 807 CA THR A 57 6.830 -15.764 7.230 1.00 0.00 C ATOM 808 C THR A 57 5.368 -15.964 6.845 1.00 0.00 C ATOM 809 O THR A 57 4.993 -15.797 5.684 1.00 0.00 O ATOM 810 CB THR A 57 7.284 -16.946 8.106 1.00 0.00 C ATOM 811 OG1 THR A 57 8.675 -16.814 8.424 1.00 0.00 O ATOM 812 CG2 THR A 57 7.045 -18.270 7.396 1.00 0.00 C ATOM 0 H THR A 57 6.772 -14.500 8.902 1.00 0.00 H new ATOM 0 HA THR A 57 7.441 -15.735 6.328 1.00 0.00 H new ATOM 0 HB THR A 57 6.698 -16.934 9.025 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.956 -17.569 8.983 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.374 -19.090 8.035 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.982 -18.381 7.181 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.608 -18.289 6.463 1.00 0.00 H new ATOM 820 N LEU A 58 4.547 -16.322 7.826 1.00 0.00 N ATOM 821 CA LEU A 58 3.125 -16.545 7.591 1.00 0.00 C ATOM 822 C LEU A 58 2.284 -15.907 8.693 1.00 0.00 C ATOM 823 O LEU A 58 1.187 -16.375 9.000 1.00 0.00 O ATOM 824 CB LEU A 58 2.829 -18.044 7.511 1.00 0.00 C ATOM 825 CG LEU A 58 1.939 -18.492 6.351 1.00 0.00 C ATOM 826 CD1 LEU A 58 2.452 -19.794 5.756 1.00 0.00 C ATOM 827 CD2 LEU A 58 0.498 -18.645 6.814 1.00 0.00 C ATOM 0 H LEU A 58 4.842 -16.464 8.792 1.00 0.00 H new ATOM 0 HA LEU A 58 2.862 -16.078 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.777 -18.578 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.357 -18.351 8.444 1.00 0.00 H new ATOM 0 HG LEU A 58 1.971 -17.726 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.806 -20.097 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.467 -19.650 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.451 -20.569 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.121 -18.964 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.448 -19.391 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.134 -17.689 7.191 1.00 0.00 H new ATOM 839 N LEU A 59 2.804 -14.836 9.282 1.00 0.00 N ATOM 840 CA LEU A 59 2.101 -14.132 10.347 1.00 0.00 C ATOM 841 C LEU A 59 0.679 -13.779 9.922 1.00 0.00 C ATOM 842 O LEU A 59 0.220 -14.187 8.854 1.00 0.00 O ATOM 843 CB LEU A 59 2.859 -12.862 10.735 1.00 0.00 C ATOM 844 CG LEU A 59 3.679 -12.205 9.623 1.00 0.00 C ATOM 845 CD1 LEU A 59 2.834 -12.027 8.371 1.00 0.00 C ATOM 846 CD2 LEU A 59 4.233 -10.866 10.089 1.00 0.00 C ATOM 0 H LEU A 59 3.711 -14.436 9.039 1.00 0.00 H new ATOM 0 HA LEU A 59 2.048 -14.794 11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.140 -12.133 11.108 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.529 -13.100 11.561 1.00 0.00 H new ATOM 0 HG LEU A 59 4.517 -12.858 9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.434 -11.558 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.486 -13.000 8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.976 -11.395 8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.814 -10.413 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.409 -10.205 10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.874 -11.020 10.957 1.00 0.00 H new ATOM 858 N LEU A 60 -0.013 -13.018 10.762 1.00 0.00 N ATOM 859 CA LEU A 60 -1.382 -12.607 10.471 1.00 0.00 C ATOM 860 C LEU A 60 -1.404 -11.432 9.499 1.00 0.00 C ATOM 861 O LEU A 60 -2.009 -11.509 8.430 1.00 0.00 O ATOM 862 CB LEU A 60 -2.106 -12.226 11.764 1.00 0.00 C ATOM 863 CG LEU A 60 -2.425 -13.378 12.718 1.00 0.00 C ATOM 864 CD1 LEU A 60 -1.176 -13.810 13.470 1.00 0.00 C ATOM 865 CD2 LEU A 60 -3.523 -12.975 13.692 1.00 0.00 C ATOM 0 H LEU A 60 0.351 -12.673 11.650 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.896 -13.448 10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.496 -11.497 12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.040 -11.729 11.501 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.781 -14.224 12.129 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.423 -14.630 14.144 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.419 -14.140 12.759 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.790 -12.970 14.047 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.737 -13.807 14.363 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.195 -12.114 14.274 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.424 -12.715 13.137 1.00 0.00 H new ATOM 877 N SER A 61 -0.737 -10.346 9.876 1.00 0.00 N ATOM 878 CA SER A 61 -0.680 -9.154 9.038 1.00 0.00 C ATOM 879 C SER A 61 0.733 -8.581 9.003 1.00 0.00 C ATOM 880 O SER A 61 1.498 -8.730 9.956 1.00 0.00 O ATOM 881 CB SER A 61 -1.660 -8.097 9.551 1.00 0.00 C ATOM 882 OG SER A 61 -1.512 -7.899 10.947 1.00 0.00 O ATOM 0 H SER A 61 -0.228 -10.267 10.757 1.00 0.00 H new ATOM 0 HA SER A 61 -0.962 -9.439 8.024 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.492 -7.156 9.027 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.682 -8.406 9.331 1.00 0.00 H new ATOM 0 HG SER A 61 -2.148 -7.218 11.250 1.00 0.00 H new ATOM 888 N ARG A 62 1.071 -7.923 7.899 1.00 0.00 N ATOM 889 CA ARG A 62 2.392 -7.328 7.738 1.00 0.00 C ATOM 890 C ARG A 62 2.347 -5.826 8.006 1.00 0.00 C ATOM 891 O ARG A 62 1.272 -5.240 8.140 1.00 0.00 O ATOM 892 CB ARG A 62 2.925 -7.590 6.329 1.00 0.00 C ATOM 893 CG ARG A 62 3.776 -8.846 6.223 1.00 0.00 C ATOM 894 CD ARG A 62 5.225 -8.513 5.908 1.00 0.00 C ATOM 895 NE ARG A 62 5.562 -8.794 4.515 1.00 0.00 N ATOM 896 CZ ARG A 62 6.807 -8.907 4.068 1.00 0.00 C ATOM 897 NH1 ARG A 62 7.829 -8.765 4.900 1.00 0.00 N ATOM 898 NH2 ARG A 62 7.033 -9.165 2.786 1.00 0.00 N ATOM 0 H ARG A 62 0.448 -7.788 7.103 1.00 0.00 H new ATOM 0 HA ARG A 62 3.062 -7.790 8.463 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.084 -7.672 5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.516 -6.732 6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.725 -9.401 7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.373 -9.495 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.409 -7.460 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.880 -9.089 6.562 1.00 0.00 H new ATOM 0 HE ARG A 62 4.799 -8.910 3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.660 -8.568 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.784 -8.852 4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.250 -9.277 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.990 -9.251 2.444 1.00 0.00 H new ATOM 912 N LEU A 63 3.522 -5.209 8.082 1.00 0.00 N ATOM 913 CA LEU A 63 3.617 -3.776 8.334 1.00 0.00 C ATOM 914 C LEU A 63 4.344 -3.070 7.194 1.00 0.00 C ATOM 915 O LEU A 63 5.133 -3.682 6.475 1.00 0.00 O ATOM 916 CB LEU A 63 4.344 -3.517 9.655 1.00 0.00 C ATOM 917 CG LEU A 63 3.754 -2.422 10.543 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.400 -2.445 11.919 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.926 -1.057 9.893 1.00 0.00 C ATOM 0 H LEU A 63 4.421 -5.679 7.973 1.00 0.00 H new ATOM 0 HA LEU A 63 2.605 -3.376 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.364 -4.447 10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.379 -3.258 9.432 1.00 0.00 H new ATOM 0 HG LEU A 63 2.687 -2.613 10.662 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.967 -1.658 12.537 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.224 -3.413 12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.473 -2.280 11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.500 -0.290 10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.987 -0.857 9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.415 -1.045 8.931 1.00 0.00 H new ATOM 931 N ILE A 64 4.073 -1.778 7.035 1.00 0.00 N ATOM 932 CA ILE A 64 4.703 -0.989 5.985 1.00 0.00 C ATOM 933 C ILE A 64 5.334 0.278 6.553 1.00 0.00 C ATOM 934 O ILE A 64 4.884 0.807 7.569 1.00 0.00 O ATOM 935 CB ILE A 64 3.693 -0.600 4.890 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.129 -1.854 4.217 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.350 0.310 3.862 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.086 -2.496 3.237 1.00 0.00 C ATOM 0 H ILE A 64 3.421 -1.256 7.621 1.00 0.00 H new ATOM 0 HA ILE A 64 5.481 -1.613 5.545 1.00 0.00 H new ATOM 0 HB ILE A 64 2.869 -0.057 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.866 -2.581 4.985 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.208 -1.594 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.623 0.576 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.707 1.215 4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.191 -0.209 3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.620 -3.379 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.330 -1.785 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.998 -2.788 3.757 1.00 0.00 H new ATOM 950 N LYS A 65 6.378 0.761 5.889 1.00 0.00 N ATOM 951 CA LYS A 65 7.070 1.969 6.324 1.00 0.00 C ATOM 952 C LYS A 65 7.218 2.957 5.172 1.00 0.00 C ATOM 953 O LYS A 65 7.996 2.732 4.244 1.00 0.00 O ATOM 954 CB LYS A 65 8.449 1.616 6.887 1.00 0.00 C ATOM 955 CG LYS A 65 8.471 1.473 8.399 1.00 0.00 C ATOM 956 CD LYS A 65 9.589 0.551 8.855 1.00 0.00 C ATOM 957 CE LYS A 65 10.927 1.272 8.890 1.00 0.00 C ATOM 958 NZ LYS A 65 12.037 0.364 9.290 1.00 0.00 N ATOM 0 H LYS A 65 6.764 0.334 5.047 1.00 0.00 H new ATOM 0 HA LYS A 65 6.473 2.438 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.788 0.683 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.160 2.388 6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.598 2.454 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.513 1.083 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.359 0.161 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.653 -0.305 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.138 1.693 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.871 2.107 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.932 0.894 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.848 -0.018 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.107 -0.419 8.609 1.00 0.00 H new ATOM 972 N ILE A 66 6.466 4.050 5.237 1.00 0.00 N ATOM 973 CA ILE A 66 6.516 5.074 4.199 1.00 0.00 C ATOM 974 C ILE A 66 7.331 6.279 4.654 1.00 0.00 C ATOM 975 O ILE A 66 7.067 6.858 5.708 1.00 0.00 O ATOM 976 CB ILE A 66 5.103 5.544 3.804 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.228 4.345 3.435 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.177 6.530 2.648 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.827 4.421 4.001 1.00 0.00 C ATOM 0 H ILE A 66 5.815 4.250 5.996 1.00 0.00 H new ATOM 0 HA ILE A 66 6.996 4.621 3.332 1.00 0.00 H new ATOM 0 HB ILE A 66 4.652 6.049 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.169 4.270 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.706 3.433 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.171 6.853 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.769 7.396 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.644 6.049 1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.264 3.538 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.876 4.465 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.330 5.315 3.624 1.00 0.00 H new ATOM 991 N SER A 67 8.322 6.652 3.852 1.00 0.00 N ATOM 992 CA SER A 67 9.179 7.789 4.173 1.00 0.00 C ATOM 993 C SER A 67 9.364 8.690 2.956 1.00 0.00 C ATOM 994 O SER A 67 9.353 8.225 1.817 1.00 0.00 O ATOM 995 CB SER A 67 10.540 7.302 4.673 1.00 0.00 C ATOM 996 OG SER A 67 11.056 6.280 3.838 1.00 0.00 O ATOM 0 H SER A 67 8.552 6.184 2.975 1.00 0.00 H new ATOM 0 HA SER A 67 8.696 8.367 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.239 8.138 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.444 6.929 5.692 1.00 0.00 H new ATOM 0 HG SER A 67 11.927 5.988 4.179 1.00 0.00 H new ATOM 1002 N GLY A 68 9.535 9.985 3.206 1.00 0.00 N ATOM 1003 CA GLY A 68 9.720 10.932 2.123 1.00 0.00 C ATOM 1004 C GLY A 68 9.159 12.302 2.449 1.00 0.00 C ATOM 1005 O GLY A 68 8.992 12.652 3.617 1.00 0.00 O ATOM 0 H GLY A 68 9.549 10.395 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.783 11.022 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.237 10.550 1.224 1.00 0.00 H new ATOM 1009 N THR A 69 8.868 13.081 1.412 1.00 0.00 N ATOM 1010 CA THR A 69 8.325 14.421 1.593 1.00 0.00 C ATOM 1011 C THR A 69 6.823 14.377 1.848 1.00 0.00 C ATOM 1012 O THR A 69 6.120 13.515 1.320 1.00 0.00 O ATOM 1013 CB THR A 69 8.599 15.310 0.365 1.00 0.00 C ATOM 1014 OG1 THR A 69 7.673 14.998 -0.682 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.022 15.117 -0.137 1.00 0.00 C ATOM 0 H THR A 69 8.999 12.807 0.438 1.00 0.00 H new ATOM 0 HA THR A 69 8.826 14.849 2.461 1.00 0.00 H new ATOM 0 HB THR A 69 8.474 16.351 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.853 15.568 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.192 15.755 -1.004 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.725 15.383 0.652 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.170 14.075 -0.419 1.00 0.00 H new ATOM 1023 N GLN A 70 6.336 15.310 2.661 1.00 0.00 N ATOM 1024 CA GLN A 70 4.916 15.376 2.986 1.00 0.00 C ATOM 1025 C GLN A 70 4.063 15.116 1.749 1.00 0.00 C ATOM 1026 O GLN A 70 2.924 14.660 1.851 1.00 0.00 O ATOM 1027 CB GLN A 70 4.570 16.740 3.582 1.00 0.00 C ATOM 1028 CG GLN A 70 3.242 16.763 4.319 1.00 0.00 C ATOM 1029 CD GLN A 70 3.322 16.118 5.689 1.00 0.00 C ATOM 1030 OE1 GLN A 70 3.951 16.653 6.603 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.685 14.962 5.838 1.00 0.00 N ATOM 0 H GLN A 70 6.904 16.030 3.106 1.00 0.00 H new ATOM 0 HA GLN A 70 4.701 14.602 3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.362 17.039 4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.545 17.481 2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.909 17.795 4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.491 16.246 3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.176 14.555 5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.705 14.481 6.737 1.00 0.00 H new ATOM 1040 N LYS A 71 4.621 15.410 0.579 1.00 0.00 N ATOM 1041 CA LYS A 71 3.912 15.209 -0.679 1.00 0.00 C ATOM 1042 C LYS A 71 3.840 13.727 -1.032 1.00 0.00 C ATOM 1043 O LYS A 71 2.797 13.232 -1.457 1.00 0.00 O ATOM 1044 CB LYS A 71 4.602 15.979 -1.806 1.00 0.00 C ATOM 1045 CG LYS A 71 4.216 17.447 -1.867 1.00 0.00 C ATOM 1046 CD LYS A 71 5.273 18.272 -2.583 1.00 0.00 C ATOM 1047 CE LYS A 71 5.484 19.616 -1.903 1.00 0.00 C ATOM 1048 NZ LYS A 71 6.705 20.306 -2.406 1.00 0.00 N ATOM 0 H LYS A 71 5.563 15.788 0.476 1.00 0.00 H new ATOM 0 HA LYS A 71 2.896 15.586 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.682 15.901 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.358 15.508 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.261 17.552 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.077 17.830 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.214 17.722 -2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.973 18.430 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.613 20.249 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.567 19.469 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.814 21.218 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.539 19.713 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.615 20.469 -3.429 1.00 0.00 H new ATOM 1062 N GLU A 72 4.953 13.024 -0.849 1.00 0.00 N ATOM 1063 CA GLU A 72 5.015 11.599 -1.148 1.00 0.00 C ATOM 1064 C GLU A 72 4.361 10.782 -0.036 1.00 0.00 C ATOM 1065 O GLU A 72 3.288 10.207 -0.221 1.00 0.00 O ATOM 1066 CB GLU A 72 6.468 11.156 -1.334 1.00 0.00 C ATOM 1067 CG GLU A 72 7.299 12.126 -2.156 1.00 0.00 C ATOM 1068 CD GLU A 72 8.789 11.938 -1.949 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.169 11.192 -1.024 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.574 12.538 -2.713 1.00 0.00 O ATOM 0 H GLU A 72 5.824 13.419 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 72 4.469 11.424 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.930 11.034 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.482 10.179 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.063 11.996 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.025 13.147 -1.892 1.00 0.00 H new ATOM 1077 N VAL A 73 5.018 10.735 1.119 1.00 0.00 N ATOM 1078 CA VAL A 73 4.501 9.989 2.261 1.00 0.00 C ATOM 1079 C VAL A 73 2.979 10.055 2.318 1.00 0.00 C ATOM 1080 O VAL A 73 2.324 9.115 2.766 1.00 0.00 O ATOM 1081 CB VAL A 73 5.077 10.523 3.586 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.583 9.689 4.758 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.597 10.541 3.537 1.00 0.00 C ATOM 0 H VAL A 73 5.908 11.204 1.289 1.00 0.00 H new ATOM 0 HA VAL A 73 4.811 8.953 2.129 1.00 0.00 H new ATOM 0 HB VAL A 73 4.729 11.546 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.000 10.081 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.495 9.733 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.899 8.654 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.987 10.921 4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.968 9.529 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.927 11.186 2.722 1.00 0.00 H new ATOM 1093 N ALA A 74 2.423 11.172 1.860 1.00 0.00 N ATOM 1094 CA ALA A 74 0.978 11.359 1.857 1.00 0.00 C ATOM 1095 C ALA A 74 0.352 10.775 0.595 1.00 0.00 C ATOM 1096 O ALA A 74 -0.692 10.125 0.652 1.00 0.00 O ATOM 1097 CB ALA A 74 0.637 12.837 1.982 1.00 0.00 C ATOM 0 H ALA A 74 2.951 11.960 1.487 1.00 0.00 H new ATOM 0 HA ALA A 74 0.566 10.828 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.446 12.962 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.044 13.227 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.068 13.382 1.142 1.00 0.00 H new ATOM 1103 N ALA A 75 0.995 11.011 -0.544 1.00 0.00 N ATOM 1104 CA ALA A 75 0.501 10.507 -1.819 1.00 0.00 C ATOM 1105 C ALA A 75 0.615 8.988 -1.891 1.00 0.00 C ATOM 1106 O ALA A 75 -0.362 8.295 -2.172 1.00 0.00 O ATOM 1107 CB ALA A 75 1.261 11.149 -2.970 1.00 0.00 C ATOM 0 H ALA A 75 1.860 11.548 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.553 10.771 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.882 10.763 -3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.125 12.230 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.322 10.914 -2.882 1.00 0.00 H new ATOM 1113 N ALA A 76 1.815 8.476 -1.633 1.00 0.00 N ATOM 1114 CA ALA A 76 2.055 7.039 -1.667 1.00 0.00 C ATOM 1115 C ALA A 76 1.064 6.295 -0.779 1.00 0.00 C ATOM 1116 O ALA A 76 0.549 5.242 -1.152 1.00 0.00 O ATOM 1117 CB ALA A 76 3.484 6.733 -1.239 1.00 0.00 C ATOM 0 H ALA A 76 2.635 9.035 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 76 1.912 6.696 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.650 5.656 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.180 7.226 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.646 7.097 -0.224 1.00 0.00 H new ATOM 1123 N LYS A 77 0.802 6.850 0.400 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.129 6.240 1.343 1.00 0.00 C ATOM 1125 C LYS A 77 -1.430 5.849 0.649 1.00 0.00 C ATOM 1126 O LYS A 77 -2.101 4.901 1.056 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.423 7.202 2.496 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.629 6.507 3.831 1.00 0.00 C ATOM 1129 CD LYS A 77 0.457 6.879 4.827 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.047 7.880 5.855 1.00 0.00 C ATOM 1131 NZ LYS A 77 -0.096 9.263 5.306 1.00 0.00 N ATOM 0 H LYS A 77 1.221 7.721 0.725 1.00 0.00 H new ATOM 0 HA LYS A 77 0.335 5.337 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.402 7.909 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.315 7.781 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.604 6.778 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.634 5.427 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.809 5.981 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.310 7.300 4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.042 7.587 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.602 7.860 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.445 9.915 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.858 9.553 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.736 9.289 4.486 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.779 6.585 -0.403 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.997 6.314 -1.155 1.00 0.00 C ATOM 1147 C HIS A 78 -2.803 5.128 -2.095 1.00 0.00 C ATOM 1148 O HIS A 78 -3.499 4.117 -1.987 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.415 7.549 -1.954 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.822 7.485 -2.463 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.879 8.107 -1.833 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.342 6.870 -3.551 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.990 7.875 -2.510 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.691 7.127 -3.558 1.00 0.00 N ATOM 0 H HIS A 78 -1.234 7.373 -0.753 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.785 6.067 -0.444 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.305 8.433 -1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.737 7.672 -2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.797 6.286 -4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.975 8.235 -2.251 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.354 6.795 -4.258 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.855 5.258 -3.016 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.569 4.198 -3.975 1.00 0.00 C ATOM 1164 C LEU A 79 -1.470 2.845 -3.278 1.00 0.00 C ATOM 1165 O LEU A 79 -2.022 1.849 -3.751 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.269 4.495 -4.723 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.110 5.921 -5.253 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.206 6.069 -6.001 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.281 6.288 -6.151 1.00 0.00 C ATOM 0 H LEU A 79 -1.271 6.088 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.391 4.159 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.567 4.281 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.191 3.806 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.100 6.605 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.302 7.090 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.034 5.848 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.227 5.375 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.152 7.306 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.322 5.599 -6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.209 6.223 -5.583 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.767 2.815 -2.152 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.599 1.585 -1.388 1.00 0.00 C ATOM 1183 C ILE A 80 -1.942 0.913 -1.127 1.00 0.00 C ATOM 1184 O ILE A 80 -2.079 -0.303 -1.270 1.00 0.00 O ATOM 1185 CB ILE A 80 0.101 1.849 -0.042 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.588 2.137 -0.263 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -0.082 0.662 0.892 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.104 3.304 0.549 1.00 0.00 C ATOM 0 H ILE A 80 -0.304 3.629 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 80 0.025 0.923 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.354 2.724 0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.164 1.246 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.758 2.337 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.418 0.864 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.145 0.500 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.349 -0.229 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.164 3.450 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.554 4.206 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.966 3.098 1.610 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.933 1.711 -0.743 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.267 1.194 -0.464 1.00 0.00 C ATOM 1202 C LEU A 81 -4.929 0.676 -1.737 1.00 0.00 C ATOM 1203 O LEU A 81 -5.471 -0.428 -1.760 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.136 2.284 0.168 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.149 2.330 1.696 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -4.944 3.753 2.189 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -6.453 1.758 2.236 1.00 0.00 C ATOM 0 H LEU A 81 -2.837 2.719 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.168 0.364 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.796 3.251 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.160 2.151 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.326 1.718 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.956 3.766 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.984 4.127 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.744 4.388 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.445 1.799 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.291 2.343 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.558 0.722 1.912 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.878 1.480 -2.794 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.471 1.101 -4.071 1.00 0.00 C ATOM 1221 C GLU A 82 -5.295 -0.392 -4.331 1.00 0.00 C ATOM 1222 O GLU A 82 -6.133 -1.025 -4.973 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.841 1.906 -5.210 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.307 3.351 -5.266 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.935 3.710 -6.599 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -5.522 3.130 -7.625 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -6.840 4.570 -6.615 1.00 0.00 O ATOM 0 H GLU A 82 -4.432 2.398 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.538 1.321 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.757 1.887 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.074 1.421 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.029 3.527 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.459 4.010 -5.079 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.199 -0.949 -3.827 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.912 -2.368 -4.004 1.00 0.00 C ATOM 1236 C LYS A 83 -4.630 -3.203 -2.948 1.00 0.00 C ATOM 1237 O LYS A 83 -5.186 -4.258 -3.250 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.403 -2.617 -3.927 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.676 -2.348 -5.232 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.702 -0.872 -5.591 1.00 0.00 C ATOM 1241 CE LYS A 83 -1.012 -0.609 -6.921 1.00 0.00 C ATOM 1242 NZ LYS A 83 -1.981 -0.570 -8.051 1.00 0.00 N ATOM 0 H LYS A 83 -3.495 -0.440 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.274 -2.667 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.978 -1.985 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.228 -3.651 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.643 -2.685 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.138 -2.926 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.735 -0.527 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.212 -0.297 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.475 0.338 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.270 -1.386 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.471 -0.389 -8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.476 -1.483 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.674 0.188 -7.888 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.614 -2.722 -1.708 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.266 -3.424 -0.609 1.00 0.00 C ATOM 1258 C VAL A 84 -6.735 -3.686 -0.918 1.00 0.00 C ATOM 1259 O VAL A 84 -7.321 -4.649 -0.423 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.165 -2.625 0.705 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -5.792 -3.402 1.852 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.713 -2.285 1.010 1.00 0.00 C ATOM 0 H VAL A 84 -4.157 -1.850 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.748 -4.375 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.716 -1.692 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.711 -2.822 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.843 -3.590 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.272 -4.352 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.659 -1.721 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.137 -3.205 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.301 -1.685 0.198 1.00 0.00 H new ATOM 1272 N SER A 85 -7.324 -2.824 -1.741 1.00 0.00 N ATOM 1273 CA SER A 85 -8.728 -2.962 -2.115 1.00 0.00 C ATOM 1274 C SER A 85 -8.891 -3.967 -3.251 1.00 0.00 C ATOM 1275 O SER A 85 -9.945 -4.582 -3.401 1.00 0.00 O ATOM 1276 CB SER A 85 -9.300 -1.606 -2.532 1.00 0.00 C ATOM 1277 OG SER A 85 -9.980 -0.986 -1.454 1.00 0.00 O ATOM 0 H SER A 85 -6.852 -2.023 -2.161 1.00 0.00 H new ATOM 0 HA SER A 85 -9.276 -3.329 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.494 -0.959 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.985 -1.739 -3.370 1.00 0.00 H new ATOM 0 HG SER A 85 -10.335 -0.120 -1.746 1.00 0.00 H new ATOM 1283 N GLU A 86 -7.839 -4.126 -4.047 1.00 0.00 N ATOM 1284 CA GLU A 86 -7.866 -5.056 -5.170 1.00 0.00 C ATOM 1285 C GLU A 86 -7.986 -6.496 -4.683 1.00 0.00 C ATOM 1286 O GLU A 86 -8.973 -7.177 -4.962 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.604 -4.898 -6.022 1.00 0.00 C ATOM 1288 CG GLU A 86 -6.760 -3.908 -7.164 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.660 -4.567 -8.526 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -5.528 -4.704 -9.036 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -7.712 -4.946 -9.081 1.00 0.00 O ATOM 0 H GLU A 86 -6.958 -3.624 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.740 -4.823 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.782 -4.575 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.328 -5.870 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.724 -3.408 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.993 -3.138 -7.080 1.00 0.00 H new ATOM 1298 N ASP A 87 -6.976 -6.953 -3.951 1.00 0.00 N ATOM 1299 CA ASP A 87 -6.968 -8.313 -3.423 1.00 0.00 C ATOM 1300 C ASP A 87 -8.150 -8.538 -2.487 1.00 0.00 C ATOM 1301 O ASP A 87 -8.707 -9.634 -2.429 1.00 0.00 O ATOM 1302 CB ASP A 87 -5.657 -8.587 -2.685 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.232 -10.040 -2.779 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.079 -10.923 -2.530 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.053 -10.294 -3.103 1.00 0.00 O ATOM 0 H ASP A 87 -6.152 -6.402 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.055 -9.004 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.872 -7.954 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.769 -8.311 -1.636 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.528 -7.495 -1.755 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.642 -7.581 -0.820 1.00 0.00 C ATOM 1312 C GLU A 88 -10.893 -8.116 -1.512 1.00 0.00 C ATOM 1313 O GLU A 88 -11.593 -8.974 -0.975 1.00 0.00 O ATOM 1314 CB GLU A 88 -9.933 -6.209 -0.208 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.276 -6.128 0.498 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.139 -5.817 1.976 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -10.097 -5.249 2.368 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.072 -6.139 2.740 1.00 0.00 O ATOM 0 H GLU A 88 -8.078 -6.580 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.362 -8.273 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.144 -5.963 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.900 -5.455 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.886 -5.359 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.804 -7.074 0.377 1.00 0.00 H new ATOM 1325 N GLU A 89 -11.166 -7.603 -2.707 1.00 0.00 N ATOM 1326 CA GLU A 89 -12.332 -8.028 -3.472 1.00 0.00 C ATOM 1327 C GLU A 89 -12.004 -9.242 -4.336 1.00 0.00 C ATOM 1328 O GLU A 89 -12.766 -10.208 -4.386 1.00 0.00 O ATOM 1329 CB GLU A 89 -12.837 -6.884 -4.353 1.00 0.00 C ATOM 1330 CG GLU A 89 -14.296 -6.531 -4.116 1.00 0.00 C ATOM 1331 CD GLU A 89 -14.984 -6.024 -5.370 1.00 0.00 C ATOM 1332 OE1 GLU A 89 -14.344 -5.272 -6.134 1.00 0.00 O ATOM 1333 OE2 GLU A 89 -16.162 -6.379 -5.585 1.00 0.00 O ATOM 0 H GLU A 89 -10.596 -6.893 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.115 -8.307 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.224 -6.001 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.703 -7.157 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.824 -7.410 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.360 -5.771 -3.338 1.00 0.00 H new ATOM 1340 N LEU A 90 -10.863 -9.187 -5.015 1.00 0.00 N ATOM 1341 CA LEU A 90 -10.431 -10.281 -5.878 1.00 0.00 C ATOM 1342 C LEU A 90 -10.643 -11.628 -5.195 1.00 0.00 C ATOM 1343 O LEU A 90 -11.050 -12.600 -5.832 1.00 0.00 O ATOM 1344 CB LEU A 90 -8.957 -10.111 -6.251 1.00 0.00 C ATOM 1345 CG LEU A 90 -8.001 -11.172 -5.707 1.00 0.00 C ATOM 1346 CD1 LEU A 90 -8.216 -12.500 -6.416 1.00 0.00 C ATOM 1347 CD2 LEU A 90 -6.557 -10.715 -5.853 1.00 0.00 C ATOM 0 H LEU A 90 -10.220 -8.396 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.034 -10.256 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.877 -10.101 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.624 -9.135 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.211 -11.312 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.526 -13.242 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.241 -12.835 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.035 -12.376 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.891 -11.483 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.334 -10.545 -6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.410 -9.789 -5.297 1.00 0.00 H new ATOM 1359 N ARG A 91 -10.367 -11.678 -3.896 1.00 0.00 N ATOM 1360 CA ARG A 91 -10.528 -12.906 -3.127 1.00 0.00 C ATOM 1361 C ARG A 91 -11.998 -13.151 -2.797 1.00 0.00 C ATOM 1362 O ARG A 91 -12.416 -14.290 -2.587 1.00 0.00 O ATOM 1363 CB ARG A 91 -9.710 -12.836 -1.837 1.00 0.00 C ATOM 1364 CG ARG A 91 -8.260 -13.257 -2.011 1.00 0.00 C ATOM 1365 CD ARG A 91 -7.616 -13.605 -0.678 1.00 0.00 C ATOM 1366 NE ARG A 91 -6.158 -13.569 -0.749 1.00 0.00 N ATOM 1367 CZ ARG A 91 -5.365 -13.869 0.275 1.00 0.00 C ATOM 1368 NH1 ARG A 91 -5.888 -14.224 1.440 1.00 0.00 N ATOM 1369 NH2 ARG A 91 -4.047 -13.813 0.132 1.00 0.00 N ATOM 0 H ARG A 91 -10.031 -10.882 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.166 -13.736 -3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.740 -11.816 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.177 -13.473 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.208 -14.118 -2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.701 -12.451 -2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.959 -12.905 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.939 -14.599 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.725 -13.299 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.901 -14.267 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.278 -14.454 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.642 -13.540 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.439 -14.043 0.918 1.00 0.00 H new ATOM 1383 N LYS A 92 -12.777 -12.077 -2.753 1.00 0.00 N ATOM 1384 CA LYS A 92 -14.199 -12.173 -2.451 1.00 0.00 C ATOM 1385 C LYS A 92 -14.972 -12.734 -3.640 1.00 0.00 C ATOM 1386 O LYS A 92 -15.844 -13.587 -3.479 1.00 0.00 O ATOM 1387 CB LYS A 92 -14.755 -10.800 -2.069 1.00 0.00 C ATOM 1388 CG LYS A 92 -14.382 -10.362 -0.663 1.00 0.00 C ATOM 1389 CD LYS A 92 -15.608 -9.954 0.138 1.00 0.00 C ATOM 1390 CE LYS A 92 -15.382 -8.643 0.875 1.00 0.00 C ATOM 1391 NZ LYS A 92 -16.623 -7.823 0.941 1.00 0.00 N ATOM 0 H LYS A 92 -12.446 -11.127 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 92 -14.320 -12.854 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.390 -10.059 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -15.841 -10.820 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.867 -11.175 -0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -13.685 -9.526 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.464 -9.854 -0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.853 -10.738 0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.030 -8.850 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.598 -8.075 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.428 -6.938 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -16.946 -7.603 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.364 -8.354 1.441 1.00 0.00 H new ATOM 1405 N ARG A 93 -14.646 -12.249 -4.834 1.00 0.00 N ATOM 1406 CA ARG A 93 -15.308 -12.702 -6.050 1.00 0.00 C ATOM 1407 C ARG A 93 -15.067 -14.191 -6.278 1.00 0.00 C ATOM 1408 O ARG A 93 -15.837 -14.855 -6.975 1.00 0.00 O ATOM 1409 CB ARG A 93 -14.810 -11.903 -7.256 1.00 0.00 C ATOM 1410 CG ARG A 93 -15.140 -10.421 -7.184 1.00 0.00 C ATOM 1411 CD ARG A 93 -14.766 -9.704 -8.470 1.00 0.00 C ATOM 1412 NE ARG A 93 -15.834 -9.770 -9.464 1.00 0.00 N ATOM 1413 CZ ARG A 93 -15.956 -10.753 -10.349 1.00 0.00 C ATOM 1414 NH1 ARG A 93 -15.080 -11.748 -10.363 1.00 0.00 N ATOM 1415 NH2 ARG A 93 -16.956 -10.742 -11.221 1.00 0.00 N ATOM 0 H ARG A 93 -13.927 -11.542 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.379 -12.539 -5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.730 -12.022 -7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.247 -12.320 -8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -16.205 -10.293 -6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.609 -9.969 -6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.539 -8.661 -8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.860 -10.148 -8.882 1.00 0.00 H new ATOM 0 HE ARG A 93 -16.525 -9.020 -9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.311 -11.760 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.175 -12.502 -11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -17.632 -9.978 -11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -17.049 -11.497 -11.900 1.00 0.00 H new ATOM 1429 N ILE A 94 -13.996 -14.709 -5.689 1.00 0.00 N ATOM 1430 CA ILE A 94 -13.654 -16.120 -5.828 1.00 0.00 C ATOM 1431 C ILE A 94 -14.244 -16.943 -4.688 1.00 0.00 C ATOM 1432 O ILE A 94 -14.812 -18.011 -4.910 1.00 0.00 O ATOM 1433 CB ILE A 94 -12.129 -16.329 -5.861 1.00 0.00 C ATOM 1434 CG1 ILE A 94 -11.492 -15.432 -6.924 1.00 0.00 C ATOM 1435 CG2 ILE A 94 -11.800 -17.790 -6.127 1.00 0.00 C ATOM 1436 CD1 ILE A 94 -9.981 -15.407 -6.868 1.00 0.00 C ATOM 0 H ILE A 94 -13.349 -14.173 -5.110 1.00 0.00 H new ATOM 0 HA ILE A 94 -14.079 -16.456 -6.774 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.719 -16.056 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -11.805 -15.773 -7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.869 -14.416 -6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.718 -17.921 -6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.226 -18.409 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.220 -18.088 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.599 -14.751 -7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.659 -15.037 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.595 -16.415 -7.019 1.00 0.00 H new ATOM 1448 N ALA A 95 -14.107 -16.437 -3.466 1.00 0.00 N ATOM 1449 CA ALA A 95 -14.630 -17.123 -2.291 1.00 0.00 C ATOM 1450 C ALA A 95 -16.151 -17.219 -2.344 1.00 0.00 C ATOM 1451 O ALA A 95 -16.734 -18.226 -1.938 1.00 0.00 O ATOM 1452 CB ALA A 95 -14.189 -16.408 -1.023 1.00 0.00 C ATOM 0 H ALA A 95 -13.638 -15.554 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.228 -18.136 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.587 -16.931 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.100 -16.395 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.564 -15.384 -1.033 1.00 0.00 H new ATOM 1458 N HIS A 96 -16.789 -16.167 -2.845 1.00 0.00 N ATOM 1459 CA HIS A 96 -18.244 -16.134 -2.951 1.00 0.00 C ATOM 1460 C HIS A 96 -18.694 -16.464 -4.371 1.00 0.00 C ATOM 1461 O HIS A 96 -18.100 -15.999 -5.344 1.00 0.00 O ATOM 1462 CB HIS A 96 -18.774 -14.760 -2.542 1.00 0.00 C ATOM 1463 CG HIS A 96 -19.633 -14.790 -1.314 1.00 0.00 C ATOM 1464 ND1 HIS A 96 -20.668 -13.905 -1.099 1.00 0.00 N ATOM 1465 CD2 HIS A 96 -19.607 -15.607 -0.236 1.00 0.00 C ATOM 1466 CE1 HIS A 96 -21.240 -14.175 0.062 1.00 0.00 C ATOM 1467 NE2 HIS A 96 -20.615 -15.205 0.604 1.00 0.00 N ATOM 0 H HIS A 96 -16.322 -15.326 -3.184 1.00 0.00 H new ATOM 0 HA HIS A 96 -18.650 -16.888 -2.277 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -17.931 -14.091 -2.369 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -19.349 -14.341 -3.368 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -18.921 -16.424 -0.068 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -22.076 -13.644 0.494 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -20.844 -15.632 1.501 1.00 0.00 H new ATOM 1475 N SER A 97 -19.745 -17.269 -4.482 1.00 0.00 N ATOM 1476 CA SER A 97 -20.272 -17.664 -5.783 1.00 0.00 C ATOM 1477 C SER A 97 -19.310 -18.613 -6.493 1.00 0.00 C ATOM 1478 O SER A 97 -18.092 -18.453 -6.411 1.00 0.00 O ATOM 1479 CB SER A 97 -20.523 -16.430 -6.652 1.00 0.00 C ATOM 1480 OG SER A 97 -21.877 -16.368 -7.068 1.00 0.00 O ATOM 0 H SER A 97 -20.249 -17.661 -3.686 1.00 0.00 H new ATOM 0 HA SER A 97 -21.216 -18.184 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 97 -20.269 -15.529 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 97 -19.871 -16.457 -7.525 1.00 0.00 H new ATOM 0 HG SER A 97 -22.013 -15.570 -7.620 1.00 0.00 H new ATOM 1486 N ALA A 98 -19.866 -19.598 -7.189 1.00 0.00 N ATOM 1487 CA ALA A 98 -19.059 -20.570 -7.916 1.00 0.00 C ATOM 1488 C ALA A 98 -19.940 -21.551 -8.683 1.00 0.00 C ATOM 1489 O ALA A 98 -20.093 -22.705 -8.284 1.00 0.00 O ATOM 1490 CB ALA A 98 -18.145 -21.319 -6.957 1.00 0.00 C ATOM 0 H ALA A 98 -20.873 -19.744 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 98 -18.447 -20.030 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -17.548 -22.042 -7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -17.484 -20.611 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -18.747 -21.841 -6.214 1.00 0.00 H new ATOM 1496 N SER A 99 -20.516 -21.083 -9.785 1.00 0.00 N ATOM 1497 CA SER A 99 -21.385 -21.917 -10.607 1.00 0.00 C ATOM 1498 C SER A 99 -20.564 -22.859 -11.484 1.00 0.00 C ATOM 1499 O SER A 99 -20.616 -24.078 -11.325 1.00 0.00 O ATOM 1500 CB SER A 99 -22.289 -21.045 -11.480 1.00 0.00 C ATOM 1501 OG SER A 99 -23.655 -21.350 -11.265 1.00 0.00 O ATOM 0 H SER A 99 -20.397 -20.130 -10.130 1.00 0.00 H new ATOM 0 HA SER A 99 -22.006 -22.517 -9.942 1.00 0.00 H new ATOM 0 HB2 SER A 99 -22.109 -19.993 -11.258 1.00 0.00 H new ATOM 0 HB3 SER A 99 -22.041 -21.196 -12.530 1.00 0.00 H new ATOM 0 HG SER A 99 -24.211 -20.778 -11.834 1.00 0.00 H new ATOM 1507 N GLY A 100 -19.806 -22.281 -12.412 1.00 0.00 N ATOM 1508 CA GLY A 100 -18.985 -23.081 -13.301 1.00 0.00 C ATOM 1509 C GLY A 100 -17.863 -22.281 -13.932 1.00 0.00 C ATOM 1510 O GLY A 100 -17.978 -21.074 -14.145 1.00 0.00 O ATOM 0 H GLY A 100 -19.746 -21.274 -12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.562 -23.918 -12.745 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -19.611 -23.504 -14.086 1.00 0.00 H new ATOM 1514 N PRO A 101 -16.747 -22.959 -14.239 1.00 0.00 N ATOM 1515 CA PRO A 101 -15.578 -22.322 -14.853 1.00 0.00 C ATOM 1516 C PRO A 101 -15.838 -21.900 -16.296 1.00 0.00 C ATOM 1517 O PRO A 101 -16.931 -22.103 -16.824 1.00 0.00 O ATOM 1518 CB PRO A 101 -14.510 -23.417 -14.800 1.00 0.00 C ATOM 1519 CG PRO A 101 -15.276 -24.693 -14.770 1.00 0.00 C ATOM 1520 CD PRO A 101 -16.542 -24.399 -14.014 1.00 0.00 C ATOM 0 HA PRO A 101 -15.295 -21.405 -14.336 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.852 -23.371 -15.668 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.880 -23.313 -13.917 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.496 -25.040 -15.780 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.703 -25.481 -14.280 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -17.380 -24.987 -14.389 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.440 -24.629 -12.954 1.00 0.00 H new ATOM 1528 N SER A 102 -14.826 -21.314 -16.927 1.00 0.00 N ATOM 1529 CA SER A 102 -14.945 -20.861 -18.308 1.00 0.00 C ATOM 1530 C SER A 102 -13.627 -20.277 -18.805 1.00 0.00 C ATOM 1531 O SER A 102 -13.187 -20.566 -19.917 1.00 0.00 O ATOM 1532 CB SER A 102 -16.057 -19.817 -18.430 1.00 0.00 C ATOM 1533 OG SER A 102 -16.522 -19.721 -19.765 1.00 0.00 O ATOM 0 H SER A 102 -13.914 -21.142 -16.504 1.00 0.00 H new ATOM 0 HA SER A 102 -15.195 -21.723 -18.926 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.884 -20.083 -17.772 1.00 0.00 H new ATOM 0 HB3 SER A 102 -15.687 -18.846 -18.100 1.00 0.00 H new ATOM 0 HG SER A 102 -17.233 -19.049 -19.816 1.00 0.00 H new ATOM 1539 N SER A 103 -13.001 -19.453 -17.971 1.00 0.00 N ATOM 1540 CA SER A 103 -11.734 -18.823 -18.325 1.00 0.00 C ATOM 1541 C SER A 103 -10.774 -18.831 -17.140 1.00 0.00 C ATOM 1542 O SER A 103 -9.673 -19.374 -17.222 1.00 0.00 O ATOM 1543 CB SER A 103 -11.968 -17.387 -18.797 1.00 0.00 C ATOM 1544 OG SER A 103 -10.869 -16.914 -19.556 1.00 0.00 O ATOM 0 H SER A 103 -13.350 -19.206 -17.045 1.00 0.00 H new ATOM 0 HA SER A 103 -11.286 -19.396 -19.137 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.876 -17.342 -19.399 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.125 -16.739 -17.935 1.00 0.00 H new ATOM 0 HG SER A 103 -11.044 -15.995 -19.847 1.00 0.00 H new ATOM 1550 N GLY A 104 -11.200 -18.224 -16.036 1.00 0.00 N ATOM 1551 CA GLY A 104 -10.366 -18.171 -14.849 1.00 0.00 C ATOM 1552 C GLY A 104 -9.336 -17.062 -14.913 1.00 0.00 C ATOM 1553 O GLY A 104 -9.275 -16.317 -15.891 1.00 0.00 O ATOM 0 H GLY A 104 -12.108 -17.768 -15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.997 -18.027 -13.972 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.858 -19.127 -14.723 1.00 0.00 H new TER 1557 GLY A 104