USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 950 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 30 HIS : no HD1:sc= -3.38 X(o=-5,f=-4.8!) USER MOD Set 1.2: A 124 SER OG : rot 122:sc= -1.66 USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 42 ASN : amide:sc= -3.58 K(o=-3.6,f=-7.8!) USER MOD Single : A 3 LYS NZ :NH3+ 157:sc= -0.0201 (180deg=-0.248) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.421 K(o=-0.42,f=-5!) USER MOD Single : A 11 ASN : amide:sc= -4.07! C(o=-4.1!,f=-4.5!) USER MOD Single : A 12 GLN :FLIP amide:sc= -1.83 F(o=-3.2!,f=-1.8) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= -2.1! (180deg=-4.61!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 173:sc= -2.6! USER MOD Single : A 25 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.8!) USER MOD Single : A 29 TYR OH : rot 92:sc= -3.84! USER MOD Single : A 31 LYS NZ :NH3+ -129:sc= 0.58 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= -1.19 (180deg=-1.2) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 1.11 (180deg=0.789) USER MOD Single : A 49 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.1!) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= -0.0156 (180deg=-0.0619) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.163! USER MOD Single : A 59 ASN :FLIP amide:sc= -1.03 F(o=-2.7!,f=-1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.45 K(o=-2.5,f=-3.9) USER MOD Single : A 74 SER OG : rot 100:sc= -0.766 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -27:sc= -2.03! USER MOD Single : A 85 ASN : amide:sc= -2.99 K(o=-3,f=-4.5!) USER MOD Single : A 87 ASN : amide:sc= -3.64 K(o=-3.6,f=-5!) USER MOD Single : A 89 LYS NZ :NH3+ -138:sc= -0.0592 (180deg=-1.85!) USER MOD Single : A 97 MET CE :methyl -131:sc= -3.48! (180deg=-11.1!) USER MOD Single : A 99 SER OG : rot 170:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -6.47! C(o=-6.5!,f=-16!) USER MOD Single : A 104 SER OG : rot -150:sc= -0.959 USER MOD Single : A 105 THR OG1 : rot -59:sc= 1.03 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN :FLIP amide:sc= -0.464 F(o=-2.2,f=-0.46) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -9.31! C(o=-9.3!,f=-12!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 57:sc= -0.314 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -4.68! C(o=-4.7!,f=-7.3!) USER MOD Single : A 128 HIS : no HD1:sc=-0.00584 X(o=-0.0058,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N LYS A 3 -16.252 21.015 -0.794 1.00 0.00 N ATOM 33 CA LYS A 3 -15.824 19.816 -0.078 1.00 0.00 C ATOM 34 C LYS A 3 -15.505 18.685 -1.050 1.00 0.00 C ATOM 35 O LYS A 3 -15.584 17.509 -0.695 1.00 0.00 O ATOM 36 CB LYS A 3 -16.908 19.357 0.905 1.00 0.00 C ATOM 37 CG LYS A 3 -17.723 20.493 1.507 1.00 0.00 C ATOM 38 CD LYS A 3 -16.946 21.227 2.586 1.00 0.00 C ATOM 39 CE LYS A 3 -17.003 22.733 2.391 1.00 0.00 C ATOM 40 NZ LYS A 3 -18.404 23.233 2.330 1.00 0.00 N ATOM 0 HA LYS A 3 -14.921 20.067 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.583 18.673 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.437 18.795 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.007 21.194 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.646 20.096 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.351 20.971 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.907 20.897 2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.477 23.225 3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.482 23.000 1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.424 24.241 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.774 23.113 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.994 22.695 2.996 1.00 0.00 H new ATOM 54 N THR A 4 -15.144 19.047 -2.277 1.00 0.00 N ATOM 55 CA THR A 4 -14.813 18.059 -3.296 1.00 0.00 C ATOM 56 C THR A 4 -13.681 17.152 -2.827 1.00 0.00 C ATOM 57 O THR A 4 -13.825 15.931 -2.794 1.00 0.00 O ATOM 58 CB THR A 4 -14.416 18.754 -4.598 1.00 0.00 C ATOM 59 OG1 THR A 4 -15.444 19.623 -5.037 1.00 0.00 O ATOM 60 CG2 THR A 4 -14.119 17.788 -5.725 1.00 0.00 C ATOM 0 H THR A 4 -15.073 20.016 -2.589 1.00 0.00 H new ATOM 0 HA THR A 4 -15.697 17.446 -3.473 1.00 0.00 H new ATOM 0 HB THR A 4 -13.506 19.306 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.170 20.059 -5.871 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.844 18.346 -6.620 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.295 17.135 -5.437 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.004 17.186 -5.931 1.00 0.00 H new ATOM 68 N ASN A 5 -12.556 17.761 -2.461 1.00 0.00 N ATOM 69 CA ASN A 5 -11.394 17.011 -1.992 1.00 0.00 C ATOM 70 C ASN A 5 -11.788 16.005 -0.915 1.00 0.00 C ATOM 71 O ASN A 5 -11.220 14.917 -0.833 1.00 0.00 O ATOM 72 CB ASN A 5 -10.328 17.969 -1.453 1.00 0.00 C ATOM 73 CG ASN A 5 -9.093 18.012 -2.331 1.00 0.00 C ATOM 74 OD1 ASN A 5 -7.966 18.050 -1.837 1.00 0.00 O ATOM 75 ND2 ASN A 5 -9.299 18.006 -3.644 1.00 0.00 N ATOM 0 H ASN A 5 -12.424 18.772 -2.480 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.983 16.460 -2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.750 18.971 -1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.044 17.663 -0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.506 18.033 -4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.250 17.974 -4.011 1.00 0.00 H new ATOM 82 N LEU A 6 -12.766 16.372 -0.095 1.00 0.00 N ATOM 83 CA LEU A 6 -13.239 15.502 0.970 1.00 0.00 C ATOM 84 C LEU A 6 -14.149 14.419 0.411 1.00 0.00 C ATOM 85 O LEU A 6 -13.793 13.242 0.393 1.00 0.00 O ATOM 86 CB LEU A 6 -13.996 16.314 2.019 1.00 0.00 C ATOM 87 CG LEU A 6 -13.134 16.929 3.122 1.00 0.00 C ATOM 88 CD1 LEU A 6 -12.189 15.895 3.705 1.00 0.00 C ATOM 89 CD2 LEU A 6 -12.363 18.124 2.586 1.00 0.00 C ATOM 0 H LEU A 6 -13.247 17.270 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.373 15.031 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -14.535 17.115 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.743 15.670 2.482 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.790 17.274 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.585 16.354 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.766 15.072 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.536 15.515 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.754 18.551 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.718 17.804 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -13.064 18.876 2.222 1.00 0.00 H new ATOM 101 N GLY A 7 -15.327 14.830 -0.048 1.00 0.00 N ATOM 102 CA GLY A 7 -16.283 13.889 -0.605 1.00 0.00 C ATOM 103 C GLY A 7 -15.684 12.990 -1.669 1.00 0.00 C ATOM 104 O GLY A 7 -16.247 11.943 -1.989 1.00 0.00 O ATOM 0 H GLY A 7 -15.638 15.802 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.686 13.272 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.119 14.441 -1.033 1.00 0.00 H new ATOM 108 N GLU A 8 -14.546 13.394 -2.224 1.00 0.00 N ATOM 109 CA GLU A 8 -13.890 12.608 -3.261 1.00 0.00 C ATOM 110 C GLU A 8 -12.827 11.684 -2.672 1.00 0.00 C ATOM 111 O GLU A 8 -12.508 10.650 -3.257 1.00 0.00 O ATOM 112 CB GLU A 8 -13.256 13.525 -4.311 1.00 0.00 C ATOM 113 CG GLU A 8 -11.990 14.224 -3.836 1.00 0.00 C ATOM 114 CD GLU A 8 -10.744 13.714 -4.535 1.00 0.00 C ATOM 115 OE1 GLU A 8 -10.479 12.496 -4.464 1.00 0.00 O ATOM 116 OE2 GLU A 8 -10.033 14.534 -5.154 1.00 0.00 O ATOM 0 H GLU A 8 -14.062 14.256 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.653 11.992 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.023 12.938 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.985 14.278 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.085 15.296 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.883 14.082 -2.761 1.00 0.00 H new ATOM 123 N LEU A 9 -12.278 12.054 -1.519 1.00 0.00 N ATOM 124 CA LEU A 9 -11.255 11.238 -0.884 1.00 0.00 C ATOM 125 C LEU A 9 -11.837 10.420 0.260 1.00 0.00 C ATOM 126 O LEU A 9 -11.230 9.448 0.710 1.00 0.00 O ATOM 127 CB LEU A 9 -10.108 12.115 -0.380 1.00 0.00 C ATOM 128 CG LEU A 9 -9.041 12.448 -1.425 1.00 0.00 C ATOM 129 CD1 LEU A 9 -8.132 13.561 -0.925 1.00 0.00 C ATOM 130 CD2 LEU A 9 -8.229 11.208 -1.768 1.00 0.00 C ATOM 0 H LEU A 9 -12.522 12.904 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.866 10.546 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.524 13.047 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.628 11.612 0.460 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.540 12.795 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.380 13.784 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.725 14.454 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.639 13.243 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.474 11.462 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.740 10.833 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.890 10.440 -2.169 1.00 0.00 H new ATOM 142 N ILE A 10 -13.006 10.828 0.746 1.00 0.00 N ATOM 143 CA ILE A 10 -13.642 10.134 1.851 1.00 0.00 C ATOM 144 C ILE A 10 -14.655 9.097 1.381 1.00 0.00 C ATOM 145 O ILE A 10 -14.745 8.015 1.959 1.00 0.00 O ATOM 146 CB ILE A 10 -14.323 11.114 2.825 1.00 0.00 C ATOM 147 CG1 ILE A 10 -15.573 11.773 2.215 1.00 0.00 C ATOM 148 CG2 ILE A 10 -13.350 12.178 3.250 1.00 0.00 C ATOM 149 CD1 ILE A 10 -16.038 13.019 2.966 1.00 0.00 C ATOM 0 H ILE A 10 -13.526 11.631 0.392 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.840 9.614 2.375 1.00 0.00 H new ATOM 0 HB ILE A 10 -14.645 10.534 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.363 12.041 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.385 11.046 2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.841 12.866 3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.498 11.714 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.005 12.726 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.923 13.429 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.280 12.754 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.243 13.765 2.961 1.00 0.00 H new ATOM 161 N ASN A 11 -15.416 9.424 0.338 1.00 0.00 N ATOM 162 CA ASN A 11 -16.417 8.498 -0.196 1.00 0.00 C ATOM 163 C ASN A 11 -15.866 7.083 -0.207 1.00 0.00 C ATOM 164 O ASN A 11 -16.513 6.132 0.231 1.00 0.00 O ATOM 165 CB ASN A 11 -16.812 8.902 -1.616 1.00 0.00 C ATOM 166 CG ASN A 11 -15.677 8.766 -2.613 1.00 0.00 C ATOM 167 OD1 ASN A 11 -15.447 7.689 -3.164 1.00 0.00 O ATOM 168 ND2 ASN A 11 -14.962 9.856 -2.849 1.00 0.00 N ATOM 0 H ASN A 11 -15.361 10.317 -0.152 1.00 0.00 H new ATOM 0 HA ASN A 11 -17.299 8.537 0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -17.650 8.286 -1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -17.160 9.935 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -14.186 9.824 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -15.188 10.728 -2.370 1.00 0.00 H new ATOM 175 N GLN A 12 -14.653 6.980 -0.710 1.00 0.00 N ATOM 176 CA GLN A 12 -13.946 5.710 -0.798 1.00 0.00 C ATOM 177 C GLN A 12 -13.347 5.327 0.552 1.00 0.00 C ATOM 178 O GLN A 12 -13.266 4.150 0.895 1.00 0.00 O ATOM 179 CB GLN A 12 -12.830 5.810 -1.838 1.00 0.00 C ATOM 180 CG GLN A 12 -11.738 6.790 -1.440 1.00 0.00 C ATOM 181 CD GLN A 12 -10.748 7.062 -2.552 1.00 0.00 C ATOM 182 OE1 GLN A 12 -9.962 8.119 -2.390 1.00 0.00 O flip ATOM 183 NE2 GLN A 12 -10.689 6.332 -3.542 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.125 7.774 -1.071 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.659 4.941 -1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.390 4.824 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.256 6.117 -2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.196 7.730 -1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.204 6.397 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.314 5.530 -3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.015 6.529 -4.282 1.00 0.00 H new ATOM 192 N GLY A 13 -12.919 6.334 1.308 1.00 0.00 N ATOM 193 CA GLY A 13 -12.320 6.089 2.606 1.00 0.00 C ATOM 194 C GLY A 13 -13.191 5.233 3.507 1.00 0.00 C ATOM 195 O GLY A 13 -12.837 4.098 3.825 1.00 0.00 O ATOM 0 H GLY A 13 -12.977 7.317 1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.356 5.599 2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.126 7.043 3.097 1.00 0.00 H new ATOM 199 N LYS A 14 -14.332 5.777 3.919 1.00 0.00 N ATOM 200 CA LYS A 14 -15.248 5.041 4.791 1.00 0.00 C ATOM 201 C LYS A 14 -15.769 3.788 4.092 1.00 0.00 C ATOM 202 O LYS A 14 -16.248 2.859 4.743 1.00 0.00 O ATOM 203 CB LYS A 14 -16.424 5.916 5.264 1.00 0.00 C ATOM 204 CG LYS A 14 -16.720 7.129 4.393 1.00 0.00 C ATOM 205 CD LYS A 14 -16.167 8.410 5.012 1.00 0.00 C ATOM 206 CE LYS A 14 -16.520 9.633 4.177 1.00 0.00 C ATOM 207 NZ LYS A 14 -17.984 9.904 4.176 1.00 0.00 N ATOM 0 H LYS A 14 -14.644 6.715 3.668 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.682 4.745 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -17.320 5.297 5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.217 6.258 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.284 6.984 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.797 7.225 4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.565 8.529 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.084 8.332 5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.991 10.503 4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.178 9.484 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.147 10.930 4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.423 9.438 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.406 9.533 5.051 1.00 0.00 H new ATOM 221 N SER A 15 -15.660 3.760 2.767 1.00 0.00 N ATOM 222 CA SER A 15 -16.106 2.611 1.988 1.00 0.00 C ATOM 223 C SER A 15 -15.004 1.558 1.907 1.00 0.00 C ATOM 224 O SER A 15 -15.274 0.378 1.681 1.00 0.00 O ATOM 225 CB SER A 15 -16.511 3.047 0.581 1.00 0.00 C ATOM 226 OG SER A 15 -17.384 2.104 -0.016 1.00 0.00 O ATOM 0 H SER A 15 -15.267 4.520 2.211 1.00 0.00 H new ATOM 0 HA SER A 15 -16.972 2.176 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.999 4.021 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.621 3.164 -0.037 1.00 0.00 H new ATOM 0 HG SER A 15 -17.629 2.408 -0.915 1.00 0.00 H new ATOM 232 N LEU A 16 -13.763 1.991 2.113 1.00 0.00 N ATOM 233 CA LEU A 16 -12.623 1.096 2.085 1.00 0.00 C ATOM 234 C LEU A 16 -12.564 0.333 3.395 1.00 0.00 C ATOM 235 O LEU A 16 -12.671 -0.889 3.422 1.00 0.00 O ATOM 236 CB LEU A 16 -11.325 1.888 1.905 1.00 0.00 C ATOM 237 CG LEU A 16 -10.795 2.001 0.475 1.00 0.00 C ATOM 238 CD1 LEU A 16 -9.972 3.278 0.317 1.00 0.00 C ATOM 239 CD2 LEU A 16 -9.959 0.777 0.124 1.00 0.00 C ATOM 0 H LEU A 16 -13.526 2.965 2.302 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.733 0.406 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.481 2.895 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.553 1.426 2.521 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.641 2.048 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.600 3.347 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.598 4.143 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.130 3.256 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.588 0.870 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.116 0.703 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.574 -0.119 0.206 1.00 0.00 H new ATOM 251 N LEU A 17 -12.412 1.083 4.484 1.00 0.00 N ATOM 252 CA LEU A 17 -12.351 0.502 5.818 1.00 0.00 C ATOM 253 C LEU A 17 -13.583 -0.357 6.086 1.00 0.00 C ATOM 254 O LEU A 17 -13.513 -1.350 6.810 1.00 0.00 O ATOM 255 CB LEU A 17 -12.248 1.611 6.868 1.00 0.00 C ATOM 256 CG LEU A 17 -10.893 2.317 6.958 1.00 0.00 C ATOM 257 CD1 LEU A 17 -10.813 3.156 8.218 1.00 0.00 C ATOM 258 CD2 LEU A 17 -9.745 1.322 6.910 1.00 0.00 C ATOM 0 H LEU A 17 -12.329 2.099 4.465 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.466 -0.132 5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -13.013 2.358 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.480 1.185 7.844 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.803 2.974 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.843 3.650 8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.603 3.907 8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.936 2.515 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.797 1.856 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.830 0.628 7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.784 0.767 5.973 1.00 0.00 H new ATOM 270 N ASP A 18 -14.713 0.030 5.495 1.00 0.00 N ATOM 271 CA ASP A 18 -15.958 -0.714 5.674 1.00 0.00 C ATOM 272 C ASP A 18 -16.075 -1.851 4.657 1.00 0.00 C ATOM 273 O ASP A 18 -17.020 -2.639 4.706 1.00 0.00 O ATOM 274 CB ASP A 18 -17.158 0.225 5.545 1.00 0.00 C ATOM 275 CG ASP A 18 -17.249 1.210 6.694 1.00 0.00 C ATOM 276 OD1 ASP A 18 -16.661 0.934 7.761 1.00 0.00 O ATOM 277 OD2 ASP A 18 -17.907 2.258 6.527 1.00 0.00 O ATOM 0 H ASP A 18 -14.792 0.849 4.892 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.947 -1.150 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -17.087 0.773 4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -18.074 -0.364 5.502 1.00 0.00 H new ATOM 282 N GLU A 19 -15.099 -1.950 3.760 1.00 0.00 N ATOM 283 CA GLU A 19 -15.071 -3.003 2.761 1.00 0.00 C ATOM 284 C GLU A 19 -13.990 -3.982 3.146 1.00 0.00 C ATOM 285 O GLU A 19 -14.136 -5.198 3.016 1.00 0.00 O ATOM 286 CB GLU A 19 -14.803 -2.428 1.369 1.00 0.00 C ATOM 287 CG GLU A 19 -16.063 -2.025 0.623 1.00 0.00 C ATOM 288 CD GLU A 19 -16.727 -3.195 -0.076 1.00 0.00 C ATOM 289 OE1 GLU A 19 -16.454 -4.350 0.311 1.00 0.00 O ATOM 290 OE2 GLU A 19 -17.520 -2.956 -1.011 1.00 0.00 O ATOM 0 H GLU A 19 -14.311 -1.304 3.708 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.038 -3.504 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.153 -1.558 1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.262 -3.167 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.768 -1.578 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.816 -1.260 -0.113 1.00 0.00 H new ATOM 297 N SER A 20 -12.900 -3.414 3.642 1.00 0.00 N ATOM 298 CA SER A 20 -11.770 -4.170 4.083 1.00 0.00 C ATOM 299 C SER A 20 -12.048 -4.767 5.437 1.00 0.00 C ATOM 300 O SER A 20 -13.014 -4.418 6.116 1.00 0.00 O ATOM 301 CB SER A 20 -10.543 -3.273 4.177 1.00 0.00 C ATOM 302 OG SER A 20 -10.918 -1.955 4.538 1.00 0.00 O ATOM 0 H SER A 20 -12.789 -2.405 3.744 1.00 0.00 H new ATOM 0 HA SER A 20 -11.583 -4.966 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.848 -3.674 4.914 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.021 -3.260 3.220 1.00 0.00 H new ATOM 0 HG SER A 20 -10.114 -1.419 4.699 1.00 0.00 H new ATOM 308 N VAL A 21 -11.183 -5.661 5.810 1.00 0.00 N ATOM 309 CA VAL A 21 -11.275 -6.342 7.081 1.00 0.00 C ATOM 310 C VAL A 21 -9.914 -6.843 7.520 1.00 0.00 C ATOM 311 O VAL A 21 -9.146 -7.355 6.712 1.00 0.00 O ATOM 312 CB VAL A 21 -12.251 -7.521 6.991 1.00 0.00 C ATOM 313 CG1 VAL A 21 -11.864 -8.442 5.847 1.00 0.00 C ATOM 314 CG2 VAL A 21 -12.319 -8.279 8.310 1.00 0.00 C ATOM 0 H VAL A 21 -10.385 -5.946 5.242 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.644 -5.629 7.818 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.247 -7.127 6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.566 -9.274 5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.890 -7.888 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.858 -8.826 6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.019 -9.110 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.330 -8.664 8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.657 -7.607 9.099 1.00 0.00 H new ATOM 324 N GLU A 22 -9.617 -6.704 8.795 1.00 0.00 N ATOM 325 CA GLU A 22 -8.340 -7.166 9.314 1.00 0.00 C ATOM 326 C GLU A 22 -8.366 -8.681 9.502 1.00 0.00 C ATOM 327 O GLU A 22 -9.043 -9.194 10.393 1.00 0.00 O ATOM 328 CB GLU A 22 -8.031 -6.491 10.651 1.00 0.00 C ATOM 329 CG GLU A 22 -9.176 -6.568 11.649 1.00 0.00 C ATOM 330 CD GLU A 22 -8.789 -7.282 12.929 1.00 0.00 C ATOM 331 OE1 GLU A 22 -7.871 -8.128 12.884 1.00 0.00 O ATOM 332 OE2 GLU A 22 -9.404 -6.996 13.978 1.00 0.00 O ATOM 0 H GLU A 22 -10.233 -6.280 9.488 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.563 -6.905 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.147 -6.956 11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.785 -5.444 10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.513 -5.559 11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.019 -7.085 11.190 1.00 0.00 H new ATOM 339 N GLY A 23 -7.626 -9.392 8.658 1.00 0.00 N ATOM 340 CA GLY A 23 -7.575 -10.838 8.747 1.00 0.00 C ATOM 341 C GLY A 23 -6.154 -11.361 8.806 1.00 0.00 C ATOM 342 O GLY A 23 -5.572 -11.472 9.886 1.00 0.00 O ATOM 0 H GLY A 23 -7.059 -8.990 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.117 -11.164 9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.084 -11.271 7.886 1.00 0.00 H new ATOM 346 N PHE A 24 -5.592 -11.681 7.643 1.00 0.00 N ATOM 347 CA PHE A 24 -4.224 -12.193 7.562 1.00 0.00 C ATOM 348 C PHE A 24 -3.923 -12.740 6.169 1.00 0.00 C ATOM 349 O PHE A 24 -3.279 -13.779 6.026 1.00 0.00 O ATOM 350 CB PHE A 24 -3.996 -13.292 8.607 1.00 0.00 C ATOM 351 CG PHE A 24 -5.154 -14.239 8.750 1.00 0.00 C ATOM 352 CD1 PHE A 24 -5.474 -15.121 7.732 1.00 0.00 C ATOM 353 CD2 PHE A 24 -5.921 -14.245 9.904 1.00 0.00 C ATOM 354 CE1 PHE A 24 -6.539 -15.993 7.860 1.00 0.00 C ATOM 355 CE2 PHE A 24 -6.987 -15.115 10.039 1.00 0.00 C ATOM 356 CZ PHE A 24 -7.296 -15.990 9.016 1.00 0.00 C ATOM 0 H PHE A 24 -6.062 -11.595 6.742 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.548 -11.362 7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.105 -13.859 8.336 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.797 -12.827 9.573 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.885 -15.128 6.827 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.684 -13.563 10.707 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.779 -16.675 7.058 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.577 -15.110 10.943 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.128 -16.671 9.119 1.00 0.00 H new ATOM 366 N ASN A 25 -4.390 -12.036 5.141 1.00 0.00 N ATOM 367 CA ASN A 25 -4.162 -12.461 3.761 1.00 0.00 C ATOM 368 C ASN A 25 -4.815 -11.500 2.774 1.00 0.00 C ATOM 369 O ASN A 25 -5.485 -10.547 3.171 1.00 0.00 O ATOM 370 CB ASN A 25 -4.705 -13.875 3.544 1.00 0.00 C ATOM 371 CG ASN A 25 -6.139 -14.022 4.012 1.00 0.00 C ATOM 372 OD1 ASN A 25 -6.908 -13.062 4.005 1.00 0.00 O ATOM 373 ND2 ASN A 25 -6.506 -15.231 4.424 1.00 0.00 N ATOM 0 H ASN A 25 -4.926 -11.173 5.235 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.087 -12.458 3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.644 -14.126 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.077 -14.588 4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.459 -15.391 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.835 -15.999 4.413 1.00 0.00 H new ATOM 380 N VAL A 26 -4.619 -11.758 1.482 1.00 0.00 N ATOM 381 CA VAL A 26 -5.193 -10.915 0.438 1.00 0.00 C ATOM 382 C VAL A 26 -6.679 -10.678 0.685 1.00 0.00 C ATOM 383 O VAL A 26 -7.458 -11.624 0.810 1.00 0.00 O ATOM 384 CB VAL A 26 -5.004 -11.537 -0.960 1.00 0.00 C ATOM 385 CG1 VAL A 26 -5.714 -12.879 -1.053 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.496 -10.587 -2.043 1.00 0.00 C ATOM 0 H VAL A 26 -4.068 -12.543 1.135 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.664 -9.963 0.472 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.939 -11.707 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.568 -13.300 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.304 -13.560 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.780 -12.740 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.353 -11.046 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.555 -10.379 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.932 -9.655 -1.993 1.00 0.00 H new ATOM 396 N GLY A 27 -7.064 -9.410 0.769 1.00 0.00 N ATOM 397 CA GLY A 27 -8.452 -9.073 1.017 1.00 0.00 C ATOM 398 C GLY A 27 -8.701 -8.693 2.465 1.00 0.00 C ATOM 399 O GLY A 27 -9.774 -8.197 2.808 1.00 0.00 O ATOM 0 H GLY A 27 -6.439 -8.610 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.744 -8.245 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.083 -9.922 0.752 1.00 0.00 H new ATOM 403 N GLU A 28 -7.701 -8.919 3.317 1.00 0.00 N ATOM 404 CA GLU A 28 -7.805 -8.596 4.725 1.00 0.00 C ATOM 405 C GLU A 28 -6.437 -8.227 5.268 1.00 0.00 C ATOM 406 O GLU A 28 -5.452 -8.909 5.001 1.00 0.00 O ATOM 407 CB GLU A 28 -8.387 -9.779 5.505 1.00 0.00 C ATOM 408 CG GLU A 28 -9.522 -10.488 4.785 1.00 0.00 C ATOM 409 CD GLU A 28 -10.310 -11.404 5.700 1.00 0.00 C ATOM 410 OE1 GLU A 28 -9.681 -12.151 6.479 1.00 0.00 O ATOM 411 OE2 GLU A 28 -11.558 -11.377 5.636 1.00 0.00 O ATOM 0 H GLU A 28 -6.807 -9.328 3.046 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.476 -7.745 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.592 -10.497 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.747 -9.424 6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.194 -9.746 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.116 -11.069 3.957 1.00 0.00 H new ATOM 418 N TYR A 29 -6.379 -7.139 6.018 1.00 0.00 N ATOM 419 CA TYR A 29 -5.115 -6.681 6.575 1.00 0.00 C ATOM 420 C TYR A 29 -4.894 -7.248 7.969 1.00 0.00 C ATOM 421 O TYR A 29 -5.757 -7.924 8.516 1.00 0.00 O ATOM 422 CB TYR A 29 -5.074 -5.153 6.595 1.00 0.00 C ATOM 423 CG TYR A 29 -5.989 -4.534 7.615 1.00 0.00 C ATOM 424 CD1 TYR A 29 -7.323 -4.254 7.315 1.00 0.00 C ATOM 425 CD2 TYR A 29 -5.517 -4.225 8.883 1.00 0.00 C ATOM 426 CE1 TYR A 29 -8.152 -3.684 8.255 1.00 0.00 C ATOM 427 CE2 TYR A 29 -6.347 -3.654 9.826 1.00 0.00 C ATOM 428 CZ TYR A 29 -7.661 -3.386 9.507 1.00 0.00 C ATOM 429 OH TYR A 29 -8.485 -2.822 10.448 1.00 0.00 O ATOM 0 H TYR A 29 -7.185 -6.560 6.254 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.306 -7.043 5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.052 -4.829 6.793 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.341 -4.779 5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.710 -4.487 6.334 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.488 -4.434 9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.183 -3.472 8.012 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.969 -3.418 10.810 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.898 -3.529 10.987 1.00 0.00 H new ATOM 439 N HIS A 30 -3.726 -6.990 8.537 1.00 0.00 N ATOM 440 CA HIS A 30 -3.413 -7.508 9.865 1.00 0.00 C ATOM 441 C HIS A 30 -4.068 -6.678 10.966 1.00 0.00 C ATOM 442 O HIS A 30 -5.021 -7.123 11.604 1.00 0.00 O ATOM 443 CB HIS A 30 -1.907 -7.554 10.073 1.00 0.00 C ATOM 444 CG HIS A 30 -1.473 -8.562 11.093 1.00 0.00 C ATOM 445 ND1 HIS A 30 -1.139 -9.861 10.774 1.00 0.00 N ATOM 446 CD2 HIS A 30 -1.320 -8.456 12.435 1.00 0.00 C ATOM 447 CE1 HIS A 30 -0.801 -10.510 11.874 1.00 0.00 C ATOM 448 NE2 HIS A 30 -0.902 -9.680 12.895 1.00 0.00 N ATOM 0 H HIS A 30 -2.987 -6.433 8.109 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.816 -8.519 9.925 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.424 -7.780 9.122 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.561 -6.567 10.379 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.494 -7.573 13.032 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.494 -11.544 11.928 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.702 -9.911 13.868 1.00 0.00 H new ATOM 457 N LYS A 31 -3.548 -5.477 11.191 1.00 0.00 N ATOM 458 CA LYS A 31 -4.085 -4.600 12.224 1.00 0.00 C ATOM 459 C LYS A 31 -3.496 -3.199 12.109 1.00 0.00 C ATOM 460 O LYS A 31 -2.429 -3.010 11.524 1.00 0.00 O ATOM 461 CB LYS A 31 -3.793 -5.175 13.612 1.00 0.00 C ATOM 462 CG LYS A 31 -4.894 -6.081 14.138 1.00 0.00 C ATOM 463 CD LYS A 31 -5.029 -5.973 15.649 1.00 0.00 C ATOM 464 CE LYS A 31 -6.228 -6.755 16.159 1.00 0.00 C ATOM 465 NZ LYS A 31 -7.488 -5.967 16.063 1.00 0.00 N ATOM 0 H LYS A 31 -2.758 -5.090 10.674 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.164 -4.534 12.084 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.859 -5.736 13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.644 -4.353 14.313 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.841 -5.816 13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.679 -7.114 13.864 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.122 -6.346 16.124 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.130 -4.925 15.932 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.331 -7.676 15.585 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.059 -7.043 17.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.978 -5.982 16.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.264 -4.984 15.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.103 -6.384 15.335 1.00 0.00 H new ATOM 479 N GLY A 32 -4.195 -2.222 12.674 1.00 0.00 N ATOM 480 CA GLY A 32 -3.722 -0.852 12.627 1.00 0.00 C ATOM 481 C GLY A 32 -4.129 -0.128 11.355 1.00 0.00 C ATOM 482 O GLY A 32 -3.808 1.047 11.178 1.00 0.00 O ATOM 0 H GLY A 32 -5.080 -2.354 13.163 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.111 -0.309 13.488 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.635 -0.845 12.711 1.00 0.00 H new ATOM 486 N ALA A 33 -4.833 -0.824 10.464 1.00 0.00 N ATOM 487 CA ALA A 33 -5.270 -0.226 9.210 1.00 0.00 C ATOM 488 C ALA A 33 -6.601 0.510 9.381 1.00 0.00 C ATOM 489 O ALA A 33 -6.728 1.676 9.006 1.00 0.00 O ATOM 490 CB ALA A 33 -5.370 -1.297 8.135 1.00 0.00 C ATOM 0 H ALA A 33 -5.110 -1.798 10.589 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.530 0.512 8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.697 -0.844 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.394 -1.761 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.090 -2.055 8.442 1.00 0.00 H new ATOM 496 N LYS A 34 -7.588 -0.177 9.953 1.00 0.00 N ATOM 497 CA LYS A 34 -8.912 0.400 10.185 1.00 0.00 C ATOM 498 C LYS A 34 -8.835 1.816 10.758 1.00 0.00 C ATOM 499 O LYS A 34 -9.778 2.590 10.627 1.00 0.00 O ATOM 500 CB LYS A 34 -9.713 -0.487 11.143 1.00 0.00 C ATOM 501 CG LYS A 34 -10.738 -1.370 10.450 1.00 0.00 C ATOM 502 CD LYS A 34 -12.159 -0.893 10.714 1.00 0.00 C ATOM 503 CE LYS A 34 -12.938 -0.734 9.420 1.00 0.00 C ATOM 504 NZ LYS A 34 -13.911 0.390 9.490 1.00 0.00 N ATOM 0 H LYS A 34 -7.495 -1.143 10.267 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.410 0.455 9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.022 -1.118 11.702 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.224 0.146 11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.549 -1.374 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.628 -2.397 10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.669 -1.605 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.133 0.059 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.244 -0.562 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.469 -1.660 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.397 0.486 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.610 0.198 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.406 1.273 9.708 1.00 0.00 H new ATOM 518 N ASP A 35 -7.728 2.145 11.416 1.00 0.00 N ATOM 519 CA ASP A 35 -7.579 3.472 12.017 1.00 0.00 C ATOM 520 C ASP A 35 -7.121 4.514 10.998 1.00 0.00 C ATOM 521 O ASP A 35 -7.886 5.397 10.637 1.00 0.00 O ATOM 522 CB ASP A 35 -6.611 3.437 13.202 1.00 0.00 C ATOM 523 CG ASP A 35 -5.436 2.503 12.985 1.00 0.00 C ATOM 524 OD1 ASP A 35 -5.609 1.280 13.168 1.00 0.00 O ATOM 525 OD2 ASP A 35 -4.343 2.995 12.632 1.00 0.00 O ATOM 0 H ASP A 35 -6.930 1.524 11.547 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.565 3.765 12.377 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.237 4.444 13.388 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.152 3.128 14.096 1.00 0.00 H new ATOM 530 N GLY A 36 -5.874 4.414 10.537 1.00 0.00 N ATOM 531 CA GLY A 36 -5.348 5.366 9.568 1.00 0.00 C ATOM 532 C GLY A 36 -6.397 5.841 8.581 1.00 0.00 C ATOM 533 O GLY A 36 -6.882 6.969 8.676 1.00 0.00 O ATOM 0 H GLY A 36 -5.216 3.687 10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.937 6.226 10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.525 4.905 9.022 1.00 0.00 H new ATOM 537 N LEU A 37 -6.750 4.980 7.633 1.00 0.00 N ATOM 538 CA LEU A 37 -7.743 5.308 6.630 1.00 0.00 C ATOM 539 C LEU A 37 -9.002 5.933 7.237 1.00 0.00 C ATOM 540 O LEU A 37 -9.728 6.638 6.547 1.00 0.00 O ATOM 541 CB LEU A 37 -8.110 4.061 5.841 1.00 0.00 C ATOM 542 CG LEU A 37 -9.258 4.239 4.858 1.00 0.00 C ATOM 543 CD1 LEU A 37 -8.961 5.372 3.899 1.00 0.00 C ATOM 544 CD2 LEU A 37 -9.508 2.949 4.102 1.00 0.00 C ATOM 0 H LEU A 37 -6.356 4.043 7.542 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.302 6.052 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.230 3.724 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.371 3.269 6.543 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.160 4.491 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.792 5.486 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.827 6.297 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.050 5.149 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.332 3.091 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.609 2.669 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.763 2.158 4.807 1.00 0.00 H new ATOM 556 N THR A 38 -9.258 5.691 8.524 1.00 0.00 N ATOM 557 CA THR A 38 -10.427 6.281 9.177 1.00 0.00 C ATOM 558 C THR A 38 -10.021 7.579 9.858 1.00 0.00 C ATOM 559 O THR A 38 -10.769 8.549 9.864 1.00 0.00 O ATOM 560 CB THR A 38 -11.070 5.318 10.188 1.00 0.00 C ATOM 561 OG1 THR A 38 -12.480 5.410 10.143 1.00 0.00 O ATOM 562 CG2 THR A 38 -10.648 5.552 11.607 1.00 0.00 C ATOM 0 H THR A 38 -8.683 5.101 9.126 1.00 0.00 H new ATOM 0 HA THR A 38 -11.177 6.485 8.413 1.00 0.00 H new ATOM 0 HB THR A 38 -10.723 4.329 9.888 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.869 4.788 10.793 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.145 4.833 12.258 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.568 5.431 11.690 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.924 6.563 11.907 1.00 0.00 H new ATOM 570 N VAL A 39 -8.812 7.590 10.412 1.00 0.00 N ATOM 571 CA VAL A 39 -8.277 8.769 11.076 1.00 0.00 C ATOM 572 C VAL A 39 -8.346 9.948 10.125 1.00 0.00 C ATOM 573 O VAL A 39 -8.651 11.074 10.520 1.00 0.00 O ATOM 574 CB VAL A 39 -6.825 8.522 11.532 1.00 0.00 C ATOM 575 CG1 VAL A 39 -6.129 9.814 11.931 1.00 0.00 C ATOM 576 CG2 VAL A 39 -6.817 7.532 12.682 1.00 0.00 C ATOM 0 H VAL A 39 -8.182 6.788 10.412 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.872 8.986 11.963 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.269 8.107 10.691 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.109 9.595 12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.108 10.494 11.079 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.671 10.280 12.754 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.791 7.357 13.005 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.395 7.935 13.513 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.260 6.591 12.355 1.00 0.00 H new ATOM 586 N GLU A 40 -8.110 9.658 8.855 1.00 0.00 N ATOM 587 CA GLU A 40 -8.194 10.663 7.818 1.00 0.00 C ATOM 588 C GLU A 40 -9.657 11.037 7.635 1.00 0.00 C ATOM 589 O GLU A 40 -9.984 12.185 7.362 1.00 0.00 O ATOM 590 CB GLU A 40 -7.616 10.127 6.510 1.00 0.00 C ATOM 591 CG GLU A 40 -8.074 8.714 6.196 1.00 0.00 C ATOM 592 CD GLU A 40 -8.453 8.532 4.742 1.00 0.00 C ATOM 593 OE1 GLU A 40 -7.661 8.934 3.866 1.00 0.00 O ATOM 594 OE2 GLU A 40 -9.545 7.988 4.477 1.00 0.00 O ATOM 0 H GLU A 40 -7.858 8.728 8.521 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.617 11.542 8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.906 10.787 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.528 10.147 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.278 8.014 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.930 8.466 6.824 1.00 0.00 H new ATOM 601 N ILE A 41 -10.531 10.043 7.827 1.00 0.00 N ATOM 602 CA ILE A 41 -11.973 10.233 7.724 1.00 0.00 C ATOM 603 C ILE A 41 -12.478 11.027 8.916 1.00 0.00 C ATOM 604 O ILE A 41 -13.083 12.084 8.752 1.00 0.00 O ATOM 605 CB ILE A 41 -12.720 8.887 7.669 1.00 0.00 C ATOM 606 CG1 ILE A 41 -12.096 7.982 6.604 1.00 0.00 C ATOM 607 CG2 ILE A 41 -14.204 9.108 7.407 1.00 0.00 C ATOM 608 CD1 ILE A 41 -12.552 8.273 5.191 1.00 0.00 C ATOM 0 H ILE A 41 -10.255 9.089 8.057 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.166 10.776 6.799 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.625 8.391 8.635 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.012 8.081 6.650 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.332 6.945 6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.715 8.146 7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.628 9.715 8.207 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.333 9.622 6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.061 7.586 4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.632 8.144 5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.292 9.298 4.929 1.00 0.00 H new ATOM 620 N ASN A 42 -12.202 10.525 10.125 1.00 0.00 N ATOM 621 CA ASN A 42 -12.613 11.225 11.339 1.00 0.00 C ATOM 622 C ASN A 42 -12.231 12.692 11.210 1.00 0.00 C ATOM 623 O ASN A 42 -12.958 13.586 11.640 1.00 0.00 O ATOM 624 CB ASN A 42 -11.940 10.631 12.587 1.00 0.00 C ATOM 625 CG ASN A 42 -11.756 9.126 12.519 1.00 0.00 C ATOM 626 OD1 ASN A 42 -12.412 8.440 11.737 1.00 0.00 O ATOM 627 ND2 ASN A 42 -10.852 8.609 13.349 1.00 0.00 N ATOM 0 H ASN A 42 -11.703 9.650 10.284 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.691 11.116 11.455 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.967 11.102 12.724 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.539 10.876 13.464 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.680 7.604 13.353 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.332 9.218 13.980 1.00 0.00 H new ATOM 634 N LYS A 43 -11.072 12.914 10.597 1.00 0.00 N ATOM 635 CA LYS A 43 -10.560 14.265 10.382 1.00 0.00 C ATOM 636 C LYS A 43 -11.087 14.873 9.074 1.00 0.00 C ATOM 637 O LYS A 43 -11.190 16.094 8.954 1.00 0.00 O ATOM 638 CB LYS A 43 -9.030 14.250 10.366 1.00 0.00 C ATOM 639 CG LYS A 43 -8.404 15.462 11.040 1.00 0.00 C ATOM 640 CD LYS A 43 -7.930 16.485 10.020 1.00 0.00 C ATOM 641 CE LYS A 43 -6.763 15.956 9.201 1.00 0.00 C ATOM 642 NZ LYS A 43 -5.747 17.012 8.935 1.00 0.00 N ATOM 0 H LYS A 43 -10.468 12.174 10.239 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.913 14.886 11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.678 13.346 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.686 14.201 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.131 15.923 11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.562 15.143 11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.754 16.746 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.631 17.400 10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.294 15.127 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.133 15.562 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.889 16.577 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.130 17.699 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.512 17.499 9.823 1.00 0.00 H new ATOM 656 N ALA A 44 -11.405 14.025 8.094 1.00 0.00 N ATOM 657 CA ALA A 44 -11.905 14.499 6.802 1.00 0.00 C ATOM 658 C ALA A 44 -13.400 14.772 6.839 1.00 0.00 C ATOM 659 O ALA A 44 -13.839 15.886 6.568 1.00 0.00 O ATOM 660 CB ALA A 44 -11.599 13.496 5.703 1.00 0.00 C ATOM 0 H ALA A 44 -11.326 13.011 8.170 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.392 15.437 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -11.980 13.870 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.521 13.353 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.076 12.544 5.936 1.00 0.00 H new ATOM 666 N GLU A 45 -14.181 13.747 7.166 1.00 0.00 N ATOM 667 CA GLU A 45 -15.631 13.882 7.231 1.00 0.00 C ATOM 668 C GLU A 45 -16.020 15.106 8.047 1.00 0.00 C ATOM 669 O GLU A 45 -16.926 15.852 7.676 1.00 0.00 O ATOM 670 CB GLU A 45 -16.252 12.625 7.830 1.00 0.00 C ATOM 671 CG GLU A 45 -16.570 11.569 6.787 1.00 0.00 C ATOM 672 CD GLU A 45 -18.060 11.401 6.570 1.00 0.00 C ATOM 673 OE1 GLU A 45 -18.664 12.266 5.901 1.00 0.00 O ATOM 674 OE2 GLU A 45 -18.625 10.405 7.069 1.00 0.00 O ATOM 0 H GLU A 45 -13.834 12.814 7.390 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.011 14.011 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.569 12.205 8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.167 12.894 8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.097 11.840 5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.141 10.616 7.096 1.00 0.00 H new ATOM 681 N GLU A 46 -15.306 15.323 9.146 1.00 0.00 N ATOM 682 CA GLU A 46 -15.557 16.479 9.993 1.00 0.00 C ATOM 683 C GLU A 46 -15.398 17.753 9.176 1.00 0.00 C ATOM 684 O GLU A 46 -15.971 18.786 9.504 1.00 0.00 O ATOM 685 CB GLU A 46 -14.599 16.491 11.187 1.00 0.00 C ATOM 686 CG GLU A 46 -13.139 16.638 10.794 1.00 0.00 C ATOM 687 CD GLU A 46 -12.379 17.575 11.712 1.00 0.00 C ATOM 688 OE1 GLU A 46 -12.810 17.748 12.871 1.00 0.00 O ATOM 689 OE2 GLU A 46 -11.354 18.137 11.272 1.00 0.00 O ATOM 0 H GLU A 46 -14.553 14.716 9.469 1.00 0.00 H new ATOM 0 HA GLU A 46 -16.576 16.422 10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.872 17.310 11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.723 15.567 11.751 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.663 15.658 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.078 17.009 9.771 1.00 0.00 H new ATOM 696 N VAL A 47 -14.626 17.649 8.091 1.00 0.00 N ATOM 697 CA VAL A 47 -14.392 18.767 7.190 1.00 0.00 C ATOM 698 C VAL A 47 -15.359 18.696 6.018 1.00 0.00 C ATOM 699 O VAL A 47 -15.944 19.702 5.619 1.00 0.00 O ATOM 700 CB VAL A 47 -12.927 18.785 6.682 1.00 0.00 C ATOM 701 CG1 VAL A 47 -12.808 19.360 5.272 1.00 0.00 C ATOM 702 CG2 VAL A 47 -12.074 19.588 7.640 1.00 0.00 C ATOM 0 H VAL A 47 -14.150 16.789 7.818 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.563 19.692 7.741 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.578 17.753 6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.763 19.351 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.396 18.756 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.180 20.385 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.043 19.602 7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.453 20.609 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.111 19.132 8.629 1.00 0.00 H new ATOM 712 N PHE A 48 -15.533 17.494 5.476 1.00 0.00 N ATOM 713 CA PHE A 48 -16.440 17.283 4.354 1.00 0.00 C ATOM 714 C PHE A 48 -17.765 17.992 4.602 1.00 0.00 C ATOM 715 O PHE A 48 -18.314 18.643 3.713 1.00 0.00 O ATOM 716 CB PHE A 48 -16.696 15.790 4.147 1.00 0.00 C ATOM 717 CG PHE A 48 -17.653 15.498 3.024 1.00 0.00 C ATOM 718 CD1 PHE A 48 -17.421 15.998 1.753 1.00 0.00 C ATOM 719 CD2 PHE A 48 -18.783 14.726 3.242 1.00 0.00 C ATOM 720 CE1 PHE A 48 -18.300 15.732 0.719 1.00 0.00 C ATOM 721 CE2 PHE A 48 -19.664 14.457 2.213 1.00 0.00 C ATOM 722 CZ PHE A 48 -19.422 14.961 0.950 1.00 0.00 C ATOM 0 H PHE A 48 -15.057 16.651 5.797 1.00 0.00 H new ATOM 0 HA PHE A 48 -15.973 17.694 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.748 15.291 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.090 15.365 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -16.545 16.602 1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.977 14.330 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -18.109 16.127 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -20.541 13.853 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 48 -20.110 14.752 0.144 1.00 0.00 H new ATOM 732 N ASN A 49 -18.270 17.856 5.823 1.00 0.00 N ATOM 733 CA ASN A 49 -19.532 18.482 6.198 1.00 0.00 C ATOM 734 C ASN A 49 -19.306 19.739 7.037 1.00 0.00 C ATOM 735 O ASN A 49 -20.253 20.298 7.592 1.00 0.00 O ATOM 736 CB ASN A 49 -20.404 17.491 6.972 1.00 0.00 C ATOM 737 CG ASN A 49 -19.685 16.903 8.171 1.00 0.00 C ATOM 738 OD1 ASN A 49 -19.272 17.626 9.077 1.00 0.00 O ATOM 739 ND2 ASN A 49 -19.531 15.584 8.181 1.00 0.00 N ATOM 0 H ASN A 49 -17.826 17.319 6.568 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.042 18.775 5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -21.311 17.994 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -20.713 16.685 6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -19.054 15.132 8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.889 15.023 7.408 1.00 0.00 H new ATOM 746 N LYS A 50 -18.053 20.179 7.137 1.00 0.00 N ATOM 747 CA LYS A 50 -17.731 21.372 7.925 1.00 0.00 C ATOM 748 C LYS A 50 -18.109 22.657 7.193 1.00 0.00 C ATOM 749 O LYS A 50 -18.206 22.681 5.966 1.00 0.00 O ATOM 750 CB LYS A 50 -16.241 21.404 8.258 1.00 0.00 C ATOM 751 CG LYS A 50 -15.840 22.551 9.168 1.00 0.00 C ATOM 752 CD LYS A 50 -14.640 22.183 10.024 1.00 0.00 C ATOM 753 CE LYS A 50 -13.877 23.417 10.474 1.00 0.00 C ATOM 754 NZ LYS A 50 -14.742 24.358 11.237 1.00 0.00 N ATOM 0 H LYS A 50 -17.251 19.735 6.689 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.315 21.316 8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -15.964 20.463 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.673 21.473 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.605 23.430 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.679 22.819 9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.973 21.622 10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.976 21.529 9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.033 23.116 11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.466 23.927 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.162 25.136 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.474 24.744 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.195 23.852 12.025 1.00 0.00 H new ATOM 768 N GLU A 51 -18.304 23.730 7.960 1.00 0.00 N ATOM 769 CA GLU A 51 -18.649 25.029 7.392 1.00 0.00 C ATOM 770 C GLU A 51 -17.392 25.775 7.001 1.00 0.00 C ATOM 771 O GLU A 51 -17.334 26.390 5.935 1.00 0.00 O ATOM 772 CB GLU A 51 -19.475 25.853 8.380 1.00 0.00 C ATOM 773 CG GLU A 51 -20.349 26.904 7.715 1.00 0.00 C ATOM 774 CD GLU A 51 -20.388 28.205 8.492 1.00 0.00 C ATOM 775 OE1 GLU A 51 -20.488 28.152 9.736 1.00 0.00 O ATOM 776 OE2 GLU A 51 -20.319 29.279 7.856 1.00 0.00 O ATOM 0 H GLU A 51 -18.228 23.723 8.977 1.00 0.00 H new ATOM 0 HA GLU A 51 -19.254 24.866 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.107 25.181 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.802 26.344 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.977 27.097 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -21.362 26.516 7.611 1.00 0.00 H new ATOM 783 N ASP A 52 -16.366 25.687 7.837 1.00 0.00 N ATOM 784 CA ASP A 52 -15.106 26.330 7.517 1.00 0.00 C ATOM 785 C ASP A 52 -14.276 25.422 6.631 1.00 0.00 C ATOM 786 O ASP A 52 -13.083 25.651 6.433 1.00 0.00 O ATOM 787 CB ASP A 52 -14.314 26.708 8.764 1.00 0.00 C ATOM 788 CG ASP A 52 -15.176 27.355 9.829 1.00 0.00 C ATOM 789 OD1 ASP A 52 -16.271 27.852 9.487 1.00 0.00 O ATOM 790 OD2 ASP A 52 -14.759 27.366 11.006 1.00 0.00 O ATOM 0 H ASP A 52 -16.382 25.186 8.725 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.337 27.255 6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.844 25.815 9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.512 27.392 8.487 1.00 0.00 H new ATOM 795 N ALA A 53 -14.926 24.411 6.063 1.00 0.00 N ATOM 796 CA ALA A 53 -14.264 23.490 5.158 1.00 0.00 C ATOM 797 C ALA A 53 -14.074 24.179 3.822 1.00 0.00 C ATOM 798 O ALA A 53 -14.341 23.623 2.760 1.00 0.00 O ATOM 799 CB ALA A 53 -15.063 22.207 5.005 1.00 0.00 C ATOM 0 H ALA A 53 -15.914 24.212 6.217 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.292 23.212 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.544 21.535 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.168 21.726 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.051 22.439 4.606 1.00 0.00 H new ATOM 805 N THR A 54 -13.627 25.418 3.913 1.00 0.00 N ATOM 806 CA THR A 54 -13.388 26.258 2.764 1.00 0.00 C ATOM 807 C THR A 54 -11.992 26.021 2.212 1.00 0.00 C ATOM 808 O THR A 54 -11.619 24.897 1.889 1.00 0.00 O ATOM 809 CB THR A 54 -13.606 27.722 3.171 1.00 0.00 C ATOM 810 OG1 THR A 54 -12.529 28.190 3.963 1.00 0.00 O ATOM 811 CG2 THR A 54 -14.881 27.933 3.964 1.00 0.00 C ATOM 0 H THR A 54 -13.418 25.872 4.802 1.00 0.00 H new ATOM 0 HA THR A 54 -14.087 26.011 1.965 1.00 0.00 H new ATOM 0 HB THR A 54 -13.676 28.276 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.687 29.125 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.979 28.987 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.738 27.625 3.364 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.845 27.338 4.877 1.00 0.00 H new ATOM 819 N GLU A 55 -11.238 27.080 2.106 1.00 0.00 N ATOM 820 CA GLU A 55 -9.877 27.003 1.589 1.00 0.00 C ATOM 821 C GLU A 55 -8.878 26.641 2.690 1.00 0.00 C ATOM 822 O GLU A 55 -7.710 26.378 2.411 1.00 0.00 O ATOM 823 CB GLU A 55 -9.480 28.333 0.947 1.00 0.00 C ATOM 824 CG GLU A 55 -9.842 28.427 -0.527 1.00 0.00 C ATOM 825 CD GLU A 55 -11.083 29.264 -0.769 1.00 0.00 C ATOM 826 OE1 GLU A 55 -10.948 30.496 -0.920 1.00 0.00 O ATOM 827 OE2 GLU A 55 -12.190 28.686 -0.808 1.00 0.00 O ATOM 0 H GLU A 55 -11.536 28.019 2.370 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.853 26.215 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.966 29.147 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.405 28.475 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.005 28.857 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.001 27.424 -0.923 1.00 0.00 H new ATOM 834 N GLU A 56 -9.331 26.653 3.941 1.00 0.00 N ATOM 835 CA GLU A 56 -8.456 26.346 5.067 1.00 0.00 C ATOM 836 C GLU A 56 -8.563 24.892 5.542 1.00 0.00 C ATOM 837 O GLU A 56 -7.548 24.257 5.827 1.00 0.00 O ATOM 838 CB GLU A 56 -8.752 27.288 6.235 1.00 0.00 C ATOM 839 CG GLU A 56 -7.675 28.336 6.458 1.00 0.00 C ATOM 840 CD GLU A 56 -8.118 29.439 7.399 1.00 0.00 C ATOM 841 OE1 GLU A 56 -8.919 30.297 6.972 1.00 0.00 O ATOM 842 OE2 GLU A 56 -7.667 29.443 8.563 1.00 0.00 O ATOM 0 H GLU A 56 -10.294 26.871 4.199 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.436 26.490 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.703 27.789 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.869 26.700 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.784 27.855 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.395 28.773 5.499 1.00 0.00 H new ATOM 849 N GLU A 57 -9.787 24.388 5.689 1.00 0.00 N ATOM 850 CA GLU A 57 -9.992 23.030 6.208 1.00 0.00 C ATOM 851 C GLU A 57 -9.903 21.926 5.148 1.00 0.00 C ATOM 852 O GLU A 57 -9.405 20.840 5.438 1.00 0.00 O ATOM 853 CB GLU A 57 -11.339 22.945 6.924 1.00 0.00 C ATOM 854 CG GLU A 57 -11.221 22.666 8.413 1.00 0.00 C ATOM 855 CD GLU A 57 -10.469 23.755 9.153 1.00 0.00 C ATOM 856 OE1 GLU A 57 -10.730 24.946 8.880 1.00 0.00 O ATOM 857 OE2 GLU A 57 -9.621 23.417 10.004 1.00 0.00 O ATOM 0 H GLU A 57 -10.645 24.890 5.460 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.170 22.851 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.877 23.882 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.937 22.160 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.219 22.564 8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.712 21.713 8.561 1.00 0.00 H new ATOM 864 N ILE A 58 -10.396 22.174 3.941 1.00 0.00 N ATOM 865 CA ILE A 58 -10.367 21.151 2.892 1.00 0.00 C ATOM 866 C ILE A 58 -8.959 20.605 2.694 1.00 0.00 C ATOM 867 O ILE A 58 -8.696 19.431 2.951 1.00 0.00 O ATOM 868 CB ILE A 58 -10.879 21.692 1.548 1.00 0.00 C ATOM 869 CG1 ILE A 58 -12.276 22.292 1.714 1.00 0.00 C ATOM 870 CG2 ILE A 58 -10.888 20.593 0.488 1.00 0.00 C ATOM 871 CD1 ILE A 58 -13.361 21.264 1.960 1.00 0.00 C ATOM 0 H ILE A 58 -10.816 23.061 3.662 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.028 20.351 3.226 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.201 22.478 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.262 22.996 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.525 22.861 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.254 21.000 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.876 20.212 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.540 19.782 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.322 21.768 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.405 20.573 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.138 20.711 2.872 1.00 0.00 H new ATOM 883 N ASN A 59 -8.059 21.466 2.239 1.00 0.00 N ATOM 884 CA ASN A 59 -6.672 21.063 2.013 1.00 0.00 C ATOM 885 C ASN A 59 -6.076 20.519 3.302 1.00 0.00 C ATOM 886 O ASN A 59 -5.205 19.648 3.283 1.00 0.00 O ATOM 887 CB ASN A 59 -5.823 22.236 1.506 1.00 0.00 C ATOM 888 CG ASN A 59 -6.609 23.211 0.654 1.00 0.00 C ATOM 889 OD1 ASN A 59 -7.211 24.200 1.302 1.00 0.00 O flip ATOM 890 ND2 ASN A 59 -6.675 23.078 -0.568 1.00 0.00 N flip ATOM 0 H ASN A 59 -8.259 22.442 2.020 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.668 20.286 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.400 22.767 2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.986 21.847 0.926 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.195 22.301 -1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.209 23.744 -1.125 1.00 0.00 H new ATOM 897 N LEU A 60 -6.566 21.037 4.420 1.00 0.00 N ATOM 898 CA LEU A 60 -6.108 20.612 5.730 1.00 0.00 C ATOM 899 C LEU A 60 -6.639 19.220 6.058 1.00 0.00 C ATOM 900 O LEU A 60 -6.013 18.465 6.802 1.00 0.00 O ATOM 901 CB LEU A 60 -6.569 21.616 6.790 1.00 0.00 C ATOM 902 CG LEU A 60 -5.526 22.660 7.199 1.00 0.00 C ATOM 903 CD1 LEU A 60 -4.960 23.359 5.972 1.00 0.00 C ATOM 904 CD2 LEU A 60 -6.134 23.673 8.161 1.00 0.00 C ATOM 0 H LEU A 60 -7.287 21.758 4.442 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.019 20.571 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.451 22.135 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.876 21.065 7.679 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.709 22.149 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.221 24.097 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.488 22.624 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.766 23.857 5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.379 24.407 8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.970 24.178 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.489 23.159 9.054 1.00 0.00 H new ATOM 916 N ALA A 61 -7.802 18.886 5.501 1.00 0.00 N ATOM 917 CA ALA A 61 -8.416 17.584 5.742 1.00 0.00 C ATOM 918 C ALA A 61 -8.087 16.587 4.632 1.00 0.00 C ATOM 919 O ALA A 61 -8.164 15.375 4.835 1.00 0.00 O ATOM 920 CB ALA A 61 -9.922 17.740 5.880 1.00 0.00 C ATOM 0 H ALA A 61 -8.335 19.497 4.882 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.005 17.187 6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.374 16.764 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.144 18.402 6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.329 18.165 4.963 1.00 0.00 H new ATOM 926 N LYS A 62 -7.726 17.098 3.459 1.00 0.00 N ATOM 927 CA LYS A 62 -7.394 16.248 2.325 1.00 0.00 C ATOM 928 C LYS A 62 -5.995 15.653 2.477 1.00 0.00 C ATOM 929 O LYS A 62 -5.685 14.609 1.902 1.00 0.00 O ATOM 930 CB LYS A 62 -7.494 17.046 1.017 1.00 0.00 C ATOM 931 CG LYS A 62 -6.269 17.895 0.710 1.00 0.00 C ATOM 932 CD LYS A 62 -5.203 17.095 -0.024 1.00 0.00 C ATOM 933 CE LYS A 62 -3.814 17.379 0.527 1.00 0.00 C ATOM 934 NZ LYS A 62 -3.046 18.303 -0.353 1.00 0.00 N ATOM 0 H LYS A 62 -7.656 18.098 3.271 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.110 15.427 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.657 16.352 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.369 17.694 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.562 18.753 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.855 18.287 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.420 16.031 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.231 17.338 -1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.900 17.814 1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.268 16.442 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.105 18.471 0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.941 17.877 -1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.554 19.207 -0.436 1.00 0.00 H new ATOM 948 N GLU A 63 -5.148 16.334 3.249 1.00 0.00 N ATOM 949 CA GLU A 63 -3.774 15.891 3.477 1.00 0.00 C ATOM 950 C GLU A 63 -3.704 14.398 3.786 1.00 0.00 C ATOM 951 O GLU A 63 -3.105 13.629 3.035 1.00 0.00 O ATOM 952 CB GLU A 63 -3.148 16.688 4.624 1.00 0.00 C ATOM 953 CG GLU A 63 -1.636 16.547 4.708 1.00 0.00 C ATOM 954 CD GLU A 63 -0.935 17.039 3.456 1.00 0.00 C ATOM 955 OE1 GLU A 63 -1.307 18.120 2.953 1.00 0.00 O ATOM 956 OE2 GLU A 63 -0.015 16.343 2.978 1.00 0.00 O ATOM 0 H GLU A 63 -5.392 17.200 3.729 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.214 16.069 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.400 17.742 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.588 16.360 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.270 17.106 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.381 15.501 4.876 1.00 0.00 H new ATOM 963 N SER A 64 -4.314 13.994 4.895 1.00 0.00 N ATOM 964 CA SER A 64 -4.313 12.596 5.297 1.00 0.00 C ATOM 965 C SER A 64 -5.286 11.782 4.452 1.00 0.00 C ATOM 966 O SER A 64 -5.233 10.560 4.440 1.00 0.00 O ATOM 967 CB SER A 64 -4.677 12.469 6.777 1.00 0.00 C ATOM 968 OG SER A 64 -3.942 11.426 7.395 1.00 0.00 O ATOM 0 H SER A 64 -4.815 14.616 5.530 1.00 0.00 H new ATOM 0 HA SER A 64 -3.309 12.202 5.140 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.476 13.411 7.286 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.745 12.274 6.877 1.00 0.00 H new ATOM 0 HG SER A 64 -4.191 11.366 8.341 1.00 0.00 H new ATOM 974 N LEU A 65 -6.171 12.461 3.736 1.00 0.00 N ATOM 975 CA LEU A 65 -7.139 11.781 2.895 1.00 0.00 C ATOM 976 C LEU A 65 -6.462 11.237 1.651 1.00 0.00 C ATOM 977 O LEU A 65 -6.846 10.193 1.123 1.00 0.00 O ATOM 978 CB LEU A 65 -8.260 12.737 2.507 1.00 0.00 C ATOM 979 CG LEU A 65 -9.635 12.386 3.067 1.00 0.00 C ATOM 980 CD1 LEU A 65 -10.694 13.274 2.443 1.00 0.00 C ATOM 981 CD2 LEU A 65 -9.956 10.916 2.831 1.00 0.00 C ATOM 0 H LEU A 65 -6.237 13.479 3.722 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.565 10.948 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.994 13.739 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.326 12.772 1.420 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.626 12.558 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.672 13.015 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.472 14.317 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.700 13.129 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.941 10.689 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.950 10.709 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.207 10.296 3.325 1.00 0.00 H new ATOM 993 N GLU A 66 -5.453 11.957 1.189 1.00 0.00 N ATOM 994 CA GLU A 66 -4.713 11.557 0.005 1.00 0.00 C ATOM 995 C GLU A 66 -3.495 10.706 0.368 1.00 0.00 C ATOM 996 O GLU A 66 -2.848 10.134 -0.508 1.00 0.00 O ATOM 997 CB GLU A 66 -4.273 12.789 -0.788 1.00 0.00 C ATOM 998 CG GLU A 66 -3.220 13.626 -0.078 1.00 0.00 C ATOM 999 CD GLU A 66 -2.583 14.657 -0.989 1.00 0.00 C ATOM 1000 OE1 GLU A 66 -3.213 15.022 -2.005 1.00 0.00 O ATOM 1001 OE2 GLU A 66 -1.456 15.102 -0.687 1.00 0.00 O ATOM 0 H GLU A 66 -5.128 12.823 1.618 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.377 10.951 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.880 12.468 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.145 13.412 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.676 14.131 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.446 12.969 0.319 1.00 0.00 H new ATOM 1008 N GLY A 67 -3.182 10.633 1.661 1.00 0.00 N ATOM 1009 CA GLY A 67 -2.037 9.856 2.100 1.00 0.00 C ATOM 1010 C GLY A 67 -2.408 8.720 3.037 1.00 0.00 C ATOM 1011 O GLY A 67 -1.601 7.821 3.275 1.00 0.00 O ATOM 0 H GLY A 67 -3.699 11.096 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.528 9.447 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.329 10.516 2.602 1.00 0.00 H new ATOM 1015 N ALA A 68 -3.625 8.755 3.574 1.00 0.00 N ATOM 1016 CA ALA A 68 -4.078 7.714 4.489 1.00 0.00 C ATOM 1017 C ALA A 68 -4.738 6.568 3.732 1.00 0.00 C ATOM 1018 O ALA A 68 -4.508 5.399 4.045 1.00 0.00 O ATOM 1019 CB ALA A 68 -5.028 8.286 5.527 1.00 0.00 C ATOM 0 H ALA A 68 -4.310 9.488 3.392 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.203 7.318 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.353 7.492 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.518 9.060 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.896 8.717 5.028 1.00 0.00 H new ATOM 1025 N ILE A 69 -5.540 6.895 2.718 1.00 0.00 N ATOM 1026 CA ILE A 69 -6.190 5.875 1.925 1.00 0.00 C ATOM 1027 C ILE A 69 -5.134 5.117 1.157 1.00 0.00 C ATOM 1028 O ILE A 69 -5.149 3.889 1.082 1.00 0.00 O ATOM 1029 CB ILE A 69 -7.198 6.470 0.911 1.00 0.00 C ATOM 1030 CG1 ILE A 69 -6.512 7.494 -0.002 1.00 0.00 C ATOM 1031 CG2 ILE A 69 -8.374 7.099 1.630 1.00 0.00 C ATOM 1032 CD1 ILE A 69 -7.470 8.246 -0.907 1.00 0.00 C ATOM 0 H ILE A 69 -5.748 7.853 2.435 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.741 5.225 2.605 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.573 5.657 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.971 8.211 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.773 6.981 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.070 7.511 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.882 6.342 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.018 7.897 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.911 8.951 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.994 7.539 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -8.194 8.789 -0.299 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.200 5.877 0.597 1.00 0.00 N ATOM 1045 CA ALA A 70 -3.109 5.298 -0.164 1.00 0.00 C ATOM 1046 C ALA A 70 -2.346 4.284 0.677 1.00 0.00 C ATOM 1047 O ALA A 70 -1.714 3.371 0.147 1.00 0.00 O ATOM 1048 CB ALA A 70 -2.176 6.387 -0.671 1.00 0.00 C ATOM 0 H ALA A 70 -4.180 6.895 0.658 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.529 4.778 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.364 5.934 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.731 7.072 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.764 6.936 0.176 1.00 0.00 H new ATOM 1054 N ARG A 71 -2.423 4.446 1.993 1.00 0.00 N ATOM 1055 CA ARG A 71 -1.753 3.542 2.912 1.00 0.00 C ATOM 1056 C ARG A 71 -2.584 2.281 3.119 1.00 0.00 C ATOM 1057 O ARG A 71 -2.130 1.176 2.824 1.00 0.00 O ATOM 1058 CB ARG A 71 -1.504 4.235 4.255 1.00 0.00 C ATOM 1059 CG ARG A 71 -0.031 4.471 4.553 1.00 0.00 C ATOM 1060 CD ARG A 71 0.642 5.263 3.445 1.00 0.00 C ATOM 1061 NE ARG A 71 1.971 5.728 3.834 1.00 0.00 N ATOM 1062 CZ ARG A 71 2.189 6.673 4.746 1.00 0.00 C ATOM 1063 NH1 ARG A 71 1.169 7.255 5.365 1.00 0.00 N ATOM 1064 NH2 ARG A 71 3.429 7.036 5.041 1.00 0.00 N ATOM 0 H ARG A 71 -2.944 5.197 2.445 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.793 3.260 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.026 5.192 4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.935 3.630 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.069 5.007 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.474 3.513 4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.722 4.642 2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.021 6.119 3.183 1.00 0.00 H new ATOM 0 HE ARG A 71 2.780 5.304 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.213 6.979 5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.342 7.978 6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.216 6.591 4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.596 7.760 5.740 1.00 0.00 H new ATOM 1078 N PHE A 72 -3.803 2.450 3.627 1.00 0.00 N ATOM 1079 CA PHE A 72 -4.688 1.326 3.875 1.00 0.00 C ATOM 1080 C PHE A 72 -4.918 0.492 2.617 1.00 0.00 C ATOM 1081 O PHE A 72 -5.072 -0.727 2.693 1.00 0.00 O ATOM 1082 CB PHE A 72 -6.021 1.817 4.420 1.00 0.00 C ATOM 1083 CG PHE A 72 -6.912 0.692 4.830 1.00 0.00 C ATOM 1084 CD1 PHE A 72 -7.620 -0.016 3.880 1.00 0.00 C ATOM 1085 CD2 PHE A 72 -7.025 0.330 6.159 1.00 0.00 C ATOM 1086 CE1 PHE A 72 -8.428 -1.067 4.246 1.00 0.00 C ATOM 1087 CE2 PHE A 72 -7.833 -0.721 6.535 1.00 0.00 C ATOM 1088 CZ PHE A 72 -8.535 -1.421 5.580 1.00 0.00 C ATOM 0 H PHE A 72 -4.196 3.358 3.874 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.204 0.687 4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.844 2.468 5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.523 2.417 3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.539 0.258 2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.474 0.876 6.910 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.978 -1.615 3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.915 -0.995 7.576 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.169 -2.246 5.871 1.00 0.00 H new ATOM 1098 N ASN A 73 -4.946 1.145 1.460 1.00 0.00 N ATOM 1099 CA ASN A 73 -5.159 0.441 0.197 1.00 0.00 C ATOM 1100 C ASN A 73 -4.240 -0.770 0.106 1.00 0.00 C ATOM 1101 O ASN A 73 -4.617 -1.817 -0.421 1.00 0.00 O ATOM 1102 CB ASN A 73 -4.905 1.372 -0.987 1.00 0.00 C ATOM 1103 CG ASN A 73 -5.940 2.473 -1.088 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -7.058 2.338 -0.593 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -5.570 3.572 -1.733 1.00 0.00 N ATOM 0 H ASN A 73 -4.825 2.154 1.369 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.196 0.106 0.164 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.914 1.816 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.905 0.791 -1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.224 4.349 -1.834 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.632 3.640 -2.128 1.00 0.00 H new ATOM 1112 N SER A 74 -3.033 -0.612 0.631 1.00 0.00 N ATOM 1113 CA SER A 74 -2.047 -1.686 0.622 1.00 0.00 C ATOM 1114 C SER A 74 -1.865 -2.284 2.016 1.00 0.00 C ATOM 1115 O SER A 74 -0.779 -2.749 2.362 1.00 0.00 O ATOM 1116 CB SER A 74 -0.708 -1.166 0.101 1.00 0.00 C ATOM 1117 OG SER A 74 -0.830 -0.680 -1.225 1.00 0.00 O ATOM 0 H SER A 74 -2.712 0.251 1.070 1.00 0.00 H new ATOM 0 HA SER A 74 -2.413 -2.471 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.346 -0.370 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.033 -1.965 0.132 1.00 0.00 H new ATOM 0 HG SER A 74 -0.900 0.297 -1.210 1.00 0.00 H new ATOM 1123 N LEU A 75 -2.931 -2.274 2.814 1.00 0.00 N ATOM 1124 CA LEU A 75 -2.876 -2.822 4.167 1.00 0.00 C ATOM 1125 C LEU A 75 -3.434 -4.245 4.204 1.00 0.00 C ATOM 1126 O LEU A 75 -2.956 -5.092 4.957 1.00 0.00 O ATOM 1127 CB LEU A 75 -3.655 -1.929 5.142 1.00 0.00 C ATOM 1128 CG LEU A 75 -2.794 -1.036 6.039 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -1.945 -1.882 6.974 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -1.914 -0.122 5.200 1.00 0.00 C ATOM 0 H LEU A 75 -3.840 -1.894 2.548 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.830 -2.852 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.331 -1.296 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.274 -2.564 5.776 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.457 -0.415 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.339 -1.231 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.594 -2.493 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.292 -2.529 6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.310 0.504 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.259 -0.725 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.541 0.510 4.571 1.00 0.00 H new ATOM 1142 N LEU A 76 -4.443 -4.497 3.375 1.00 0.00 N ATOM 1143 CA LEU A 76 -5.084 -5.811 3.287 1.00 0.00 C ATOM 1144 C LEU A 76 -4.214 -6.794 2.517 1.00 0.00 C ATOM 1145 O LEU A 76 -4.677 -7.435 1.573 1.00 0.00 O ATOM 1146 CB LEU A 76 -6.440 -5.681 2.587 1.00 0.00 C ATOM 1147 CG LEU A 76 -6.469 -4.776 1.341 1.00 0.00 C ATOM 1148 CD1 LEU A 76 -6.794 -3.340 1.733 1.00 0.00 C ATOM 1149 CD2 LEU A 76 -5.149 -4.840 0.563 1.00 0.00 C ATOM 0 H LEU A 76 -4.841 -3.800 2.746 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.223 -6.188 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.774 -6.677 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.164 -5.299 3.307 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.255 -5.145 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.810 -2.714 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.770 -3.307 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.034 -2.970 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.209 -4.188 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.332 -4.513 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.967 -5.865 0.238 1.00 0.00 H new ATOM 1161 N ILE A 77 -2.948 -6.884 2.898 1.00 0.00 N ATOM 1162 CA ILE A 77 -2.016 -7.766 2.203 1.00 0.00 C ATOM 1163 C ILE A 77 -2.137 -7.515 0.724 1.00 0.00 C ATOM 1164 O ILE A 77 -2.564 -8.386 -0.034 1.00 0.00 O ATOM 1165 CB ILE A 77 -2.284 -9.253 2.506 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -2.633 -9.448 3.984 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -1.076 -10.094 2.126 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -1.618 -8.855 4.939 1.00 0.00 C ATOM 0 H ILE A 77 -2.543 -6.364 3.676 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.007 -7.547 2.553 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.136 -9.580 1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.607 -8.999 4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.728 -10.515 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.279 -11.142 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.873 -9.979 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.209 -9.765 2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.936 -9.034 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.647 -9.321 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.539 -7.782 4.766 1.00 0.00 H new ATOM 1180 N GLU A 78 -1.779 -6.288 0.338 1.00 0.00 N ATOM 1181 CA GLU A 78 -1.855 -5.849 -1.044 1.00 0.00 C ATOM 1182 C GLU A 78 -2.043 -7.022 -1.982 1.00 0.00 C ATOM 1183 O GLU A 78 -1.248 -7.961 -2.000 1.00 0.00 O ATOM 1184 CB GLU A 78 -0.618 -5.043 -1.431 1.00 0.00 C ATOM 1185 CG GLU A 78 -0.961 -3.669 -1.983 1.00 0.00 C ATOM 1186 CD GLU A 78 -0.871 -3.610 -3.496 1.00 0.00 C ATOM 1187 OE1 GLU A 78 -1.820 -4.069 -4.165 1.00 0.00 O ATOM 1188 OE2 GLU A 78 0.150 -3.106 -4.010 1.00 0.00 O ATOM 0 H GLU A 78 -1.429 -5.576 0.980 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.727 -5.201 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.024 -4.929 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.047 -5.597 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.970 -3.398 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.285 -2.930 -1.553 1.00 0.00 H new ATOM 1195 N GLU A 79 -3.120 -6.959 -2.740 1.00 0.00 N ATOM 1196 CA GLU A 79 -3.481 -8.003 -3.686 1.00 0.00 C ATOM 1197 C GLU A 79 -2.255 -8.597 -4.391 1.00 0.00 C ATOM 1198 O GLU A 79 -2.299 -9.730 -4.868 1.00 0.00 O ATOM 1199 CB GLU A 79 -4.480 -7.437 -4.692 1.00 0.00 C ATOM 1200 CG GLU A 79 -5.572 -6.597 -4.033 1.00 0.00 C ATOM 1201 CD GLU A 79 -6.956 -6.915 -4.566 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -7.348 -8.100 -4.526 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -7.646 -5.980 -5.020 1.00 0.00 O ATOM 0 H GLU A 79 -3.775 -6.178 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.942 -8.825 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.948 -6.826 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.941 -8.258 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.554 -6.765 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.359 -5.540 -4.194 1.00 0.00 H new ATOM 1210 N SER A 80 -1.158 -7.838 -4.442 1.00 0.00 N ATOM 1211 CA SER A 80 0.064 -8.318 -5.073 1.00 0.00 C ATOM 1212 C SER A 80 1.316 -7.977 -4.251 1.00 0.00 C ATOM 1213 O SER A 80 2.379 -7.739 -4.824 1.00 0.00 O ATOM 1214 CB SER A 80 0.194 -7.728 -6.478 1.00 0.00 C ATOM 1215 OG SER A 80 -0.127 -6.348 -6.485 1.00 0.00 O ATOM 0 H SER A 80 -1.095 -6.896 -4.056 1.00 0.00 H new ATOM 0 HA SER A 80 -0.007 -9.404 -5.131 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.212 -7.869 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.466 -8.261 -7.162 1.00 0.00 H new ATOM 0 HG SER A 80 -0.034 -5.995 -7.395 1.00 0.00 H new ATOM 1221 N THR A 81 1.207 -7.956 -2.915 1.00 0.00 N ATOM 1222 CA THR A 81 2.367 -7.646 -2.077 1.00 0.00 C ATOM 1223 C THR A 81 3.300 -8.846 -1.947 1.00 0.00 C ATOM 1224 O THR A 81 4.430 -8.709 -1.477 1.00 0.00 O ATOM 1225 CB THR A 81 1.917 -7.197 -0.692 1.00 0.00 C ATOM 1226 OG1 THR A 81 3.027 -7.069 0.178 1.00 0.00 O ATOM 1227 CG2 THR A 81 0.935 -8.153 -0.055 1.00 0.00 C ATOM 0 H THR A 81 0.346 -8.146 -2.403 1.00 0.00 H new ATOM 0 HA THR A 81 2.914 -6.837 -2.562 1.00 0.00 H new ATOM 0 HB THR A 81 1.424 -6.236 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.744 -7.669 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.651 -7.781 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.047 -8.234 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.398 -9.135 0.048 1.00 0.00 H new ATOM 1235 N GLY A 82 2.830 -10.020 -2.362 1.00 0.00 N ATOM 1236 CA GLY A 82 3.648 -11.217 -2.277 1.00 0.00 C ATOM 1237 C GLY A 82 5.060 -10.992 -2.785 1.00 0.00 C ATOM 1238 O GLY A 82 6.012 -11.578 -2.271 1.00 0.00 O ATOM 0 H GLY A 82 1.900 -10.163 -2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.687 -11.554 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.180 -12.015 -2.854 1.00 0.00 H new ATOM 1242 N ASP A 83 5.196 -10.138 -3.796 1.00 0.00 N ATOM 1243 CA ASP A 83 6.502 -9.840 -4.369 1.00 0.00 C ATOM 1244 C ASP A 83 7.311 -8.937 -3.443 1.00 0.00 C ATOM 1245 O ASP A 83 7.437 -7.735 -3.680 1.00 0.00 O ATOM 1246 CB ASP A 83 6.341 -9.174 -5.737 1.00 0.00 C ATOM 1247 CG ASP A 83 5.369 -9.917 -6.632 1.00 0.00 C ATOM 1248 OD1 ASP A 83 5.279 -11.157 -6.509 1.00 0.00 O ATOM 1249 OD2 ASP A 83 4.699 -9.261 -7.457 1.00 0.00 O ATOM 0 H ASP A 83 4.419 -9.642 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 83 7.040 -10.780 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.994 -8.150 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.313 -9.119 -6.228 1.00 0.00 H new ATOM 1254 N PHE A 84 7.858 -9.529 -2.388 1.00 0.00 N ATOM 1255 CA PHE A 84 8.661 -8.789 -1.419 1.00 0.00 C ATOM 1256 C PHE A 84 9.961 -8.296 -2.042 1.00 0.00 C ATOM 1257 O PHE A 84 10.299 -7.117 -1.945 1.00 0.00 O ATOM 1258 CB PHE A 84 8.978 -9.670 -0.207 1.00 0.00 C ATOM 1259 CG PHE A 84 7.884 -9.722 0.828 1.00 0.00 C ATOM 1260 CD1 PHE A 84 6.702 -9.009 0.666 1.00 0.00 C ATOM 1261 CD2 PHE A 84 8.041 -10.488 1.973 1.00 0.00 C ATOM 1262 CE1 PHE A 84 5.708 -9.061 1.619 1.00 0.00 C ATOM 1263 CE2 PHE A 84 7.047 -10.543 2.931 1.00 0.00 C ATOM 1264 CZ PHE A 84 5.880 -9.827 2.753 1.00 0.00 C ATOM 0 H PHE A 84 7.760 -10.523 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 84 8.080 -7.925 -1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.182 -10.683 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.890 -9.304 0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 84 6.561 -8.406 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.952 -11.049 2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 84 4.795 -8.502 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.183 -11.145 3.817 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.102 -9.867 3.501 1.00 0.00 H new ATOM 1274 N ASN A 85 10.687 -9.206 -2.679 1.00 0.00 N ATOM 1275 CA ASN A 85 11.952 -8.858 -3.312 1.00 0.00 C ATOM 1276 C ASN A 85 11.745 -7.822 -4.413 1.00 0.00 C ATOM 1277 O ASN A 85 12.688 -7.152 -4.831 1.00 0.00 O ATOM 1278 CB ASN A 85 12.617 -10.108 -3.892 1.00 0.00 C ATOM 1279 CG ASN A 85 12.745 -11.222 -2.872 1.00 0.00 C ATOM 1280 OD1 ASN A 85 13.752 -11.326 -2.172 1.00 0.00 O ATOM 1281 ND2 ASN A 85 11.722 -12.065 -2.784 1.00 0.00 N ATOM 0 H ASN A 85 10.423 -10.187 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 85 12.603 -8.427 -2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.036 -10.463 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.607 -9.848 -4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.752 -12.836 -2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.906 -11.942 -3.384 1.00 0.00 H new ATOM 1288 N GLY A 86 10.506 -7.699 -4.882 1.00 0.00 N ATOM 1289 CA GLY A 86 10.207 -6.746 -5.933 1.00 0.00 C ATOM 1290 C GLY A 86 10.560 -7.273 -7.311 1.00 0.00 C ATOM 1291 O GLY A 86 10.287 -6.622 -8.319 1.00 0.00 O ATOM 0 H GLY A 86 9.707 -8.241 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.146 -6.498 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.756 -5.822 -5.749 1.00 0.00 H new ATOM 1295 N ASN A 87 11.170 -8.456 -7.356 1.00 0.00 N ATOM 1296 CA ASN A 87 11.558 -9.064 -8.625 1.00 0.00 C ATOM 1297 C ASN A 87 10.603 -10.189 -9.011 1.00 0.00 C ATOM 1298 O ASN A 87 10.458 -10.514 -10.190 1.00 0.00 O ATOM 1299 CB ASN A 87 12.989 -9.599 -8.541 1.00 0.00 C ATOM 1300 CG ASN A 87 13.138 -10.690 -7.497 1.00 0.00 C ATOM 1301 OD1 ASN A 87 13.655 -10.454 -6.406 1.00 0.00 O ATOM 1302 ND2 ASN A 87 12.685 -11.893 -7.830 1.00 0.00 N ATOM 0 H ASN A 87 11.405 -9.009 -6.532 1.00 0.00 H new ATOM 0 HA ASN A 87 11.508 -8.294 -9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.286 -9.989 -9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.667 -8.779 -8.305 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.759 -12.667 -7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.263 -12.043 -8.746 1.00 0.00 H new ATOM 1309 N GLY A 88 9.951 -10.783 -8.014 1.00 0.00 N ATOM 1310 CA GLY A 88 9.020 -11.864 -8.278 1.00 0.00 C ATOM 1311 C GLY A 88 9.449 -13.165 -7.631 1.00 0.00 C ATOM 1312 O GLY A 88 9.871 -14.097 -8.316 1.00 0.00 O ATOM 0 H GLY A 88 10.052 -10.534 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.032 -11.587 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.931 -12.009 -9.355 1.00 0.00 H new ATOM 1316 N LYS A 89 9.345 -13.228 -6.309 1.00 0.00 N ATOM 1317 CA LYS A 89 9.730 -14.422 -5.569 1.00 0.00 C ATOM 1318 C LYS A 89 9.055 -14.457 -4.201 1.00 0.00 C ATOM 1319 O LYS A 89 9.283 -13.584 -3.365 1.00 0.00 O ATOM 1320 CB LYS A 89 11.249 -14.471 -5.404 1.00 0.00 C ATOM 1321 CG LYS A 89 11.905 -15.622 -6.148 1.00 0.00 C ATOM 1322 CD LYS A 89 13.390 -15.719 -5.835 1.00 0.00 C ATOM 1323 CE LYS A 89 13.644 -15.811 -4.339 1.00 0.00 C ATOM 1324 NZ LYS A 89 15.054 -16.184 -4.034 1.00 0.00 N ATOM 0 H LYS A 89 8.997 -12.465 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 89 9.403 -15.294 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.675 -13.532 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.488 -14.551 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.414 -16.557 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.767 -15.488 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.810 -16.595 -6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.905 -14.847 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.413 -14.853 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.971 -16.549 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.070 -16.879 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.495 -16.597 -4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.583 -15.336 -3.747 1.00 0.00 H new ATOM 1338 N ILE A 90 8.227 -15.473 -3.979 1.00 0.00 N ATOM 1339 CA ILE A 90 7.526 -15.617 -2.707 1.00 0.00 C ATOM 1340 C ILE A 90 7.860 -16.948 -2.043 1.00 0.00 C ATOM 1341 O ILE A 90 7.143 -17.935 -2.208 1.00 0.00 O ATOM 1342 CB ILE A 90 5.992 -15.509 -2.869 1.00 0.00 C ATOM 1343 CG1 ILE A 90 5.623 -14.826 -4.190 1.00 0.00 C ATOM 1344 CG2 ILE A 90 5.396 -14.753 -1.691 1.00 0.00 C ATOM 1345 CD1 ILE A 90 6.254 -13.462 -4.367 1.00 0.00 C ATOM 0 H ILE A 90 8.025 -16.206 -4.659 1.00 0.00 H new ATOM 0 HA ILE A 90 7.867 -14.796 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 90 5.577 -16.517 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.927 -15.467 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.539 -14.725 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.315 -14.682 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.622 -15.284 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.823 -13.751 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.947 -13.041 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.930 -12.804 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.340 -13.558 -4.344 1.00 0.00 H new ATOM 1357 N ASP A 91 8.953 -16.965 -1.290 1.00 0.00 N ATOM 1358 CA ASP A 91 9.384 -18.175 -0.596 1.00 0.00 C ATOM 1359 C ASP A 91 10.471 -17.857 0.420 1.00 0.00 C ATOM 1360 O ASP A 91 10.464 -18.376 1.536 1.00 0.00 O ATOM 1361 CB ASP A 91 9.890 -19.215 -1.598 1.00 0.00 C ATOM 1362 CG ASP A 91 9.531 -20.631 -1.192 1.00 0.00 C ATOM 1363 OD1 ASP A 91 9.703 -20.970 -0.004 1.00 0.00 O ATOM 1364 OD2 ASP A 91 9.078 -21.401 -2.066 1.00 0.00 O ATOM 0 H ASP A 91 9.557 -16.156 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 91 8.525 -18.586 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.469 -19.004 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.973 -19.130 -1.690 1.00 0.00 H new ATOM 1369 N ILE A 92 11.401 -16.996 0.030 1.00 0.00 N ATOM 1370 CA ILE A 92 12.487 -16.602 0.912 1.00 0.00 C ATOM 1371 C ILE A 92 12.266 -15.191 1.449 1.00 0.00 C ATOM 1372 O ILE A 92 12.782 -14.828 2.506 1.00 0.00 O ATOM 1373 CB ILE A 92 13.851 -16.670 0.198 1.00 0.00 C ATOM 1374 CG1 ILE A 92 14.978 -16.425 1.199 1.00 0.00 C ATOM 1375 CG2 ILE A 92 13.913 -15.666 -0.946 1.00 0.00 C ATOM 1376 CD1 ILE A 92 15.437 -17.679 1.907 1.00 0.00 C ATOM 0 H ILE A 92 11.424 -16.558 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 92 12.495 -17.307 1.743 1.00 0.00 H new ATOM 0 HB ILE A 92 13.974 -17.666 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 92 15.826 -15.980 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 92 14.643 -15.700 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 92 14.885 -15.732 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 92 13.127 -15.888 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.772 -14.659 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 92 16.239 -17.431 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.601 -18.113 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 92 15.802 -18.398 1.174 1.00 0.00 H new ATOM 1388 N GLY A 93 11.486 -14.401 0.717 1.00 0.00 N ATOM 1389 CA GLY A 93 11.202 -13.041 1.137 1.00 0.00 C ATOM 1390 C GLY A 93 10.695 -12.965 2.566 1.00 0.00 C ATOM 1391 O GLY A 93 10.743 -11.908 3.194 1.00 0.00 O ATOM 0 H GLY A 93 11.045 -14.679 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.106 -12.440 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.459 -12.606 0.468 1.00 0.00 H new ATOM 1395 N ASP A 94 10.211 -14.088 3.086 1.00 0.00 N ATOM 1396 CA ASP A 94 9.703 -14.131 4.452 1.00 0.00 C ATOM 1397 C ASP A 94 10.834 -14.401 5.433 1.00 0.00 C ATOM 1398 O ASP A 94 10.839 -13.884 6.550 1.00 0.00 O ATOM 1399 CB ASP A 94 8.627 -15.208 4.590 1.00 0.00 C ATOM 1400 CG ASP A 94 9.077 -16.547 4.043 1.00 0.00 C ATOM 1401 OD1 ASP A 94 9.251 -16.656 2.811 1.00 0.00 O ATOM 1402 OD2 ASP A 94 9.257 -17.487 4.845 1.00 0.00 O ATOM 0 H ASP A 94 10.160 -14.975 2.586 1.00 0.00 H new ATOM 0 HA ASP A 94 9.262 -13.161 4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 94 8.360 -15.319 5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.727 -14.888 4.065 1.00 0.00 H new ATOM 1407 N LEU A 95 11.790 -15.220 5.011 1.00 0.00 N ATOM 1408 CA LEU A 95 12.926 -15.565 5.855 1.00 0.00 C ATOM 1409 C LEU A 95 14.215 -14.927 5.339 1.00 0.00 C ATOM 1410 O LEU A 95 15.302 -15.468 5.536 1.00 0.00 O ATOM 1411 CB LEU A 95 13.092 -17.084 5.925 1.00 0.00 C ATOM 1412 CG LEU A 95 12.251 -17.777 6.999 1.00 0.00 C ATOM 1413 CD1 LEU A 95 12.491 -19.279 6.977 1.00 0.00 C ATOM 1414 CD2 LEU A 95 12.566 -17.205 8.373 1.00 0.00 C ATOM 0 H LEU A 95 11.801 -15.657 4.089 1.00 0.00 H new ATOM 0 HA LEU A 95 12.729 -15.177 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.835 -17.508 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.143 -17.312 6.104 1.00 0.00 H new ATOM 0 HG LEU A 95 11.198 -17.595 6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.885 -19.756 7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.216 -19.677 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.545 -19.482 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.959 -17.709 9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 95 13.622 -17.357 8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.343 -16.138 8.383 1.00 0.00 H new ATOM 1426 N ALA A 96 14.093 -13.777 4.680 1.00 0.00 N ATOM 1427 CA ALA A 96 15.263 -13.087 4.147 1.00 0.00 C ATOM 1428 C ALA A 96 14.970 -11.626 3.812 1.00 0.00 C ATOM 1429 O ALA A 96 15.803 -10.753 4.051 1.00 0.00 O ATOM 1430 CB ALA A 96 15.786 -13.811 2.917 1.00 0.00 C ATOM 0 H ALA A 96 13.205 -13.308 4.504 1.00 0.00 H new ATOM 0 HA ALA A 96 16.026 -13.096 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.659 -13.286 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.065 -14.830 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.009 -13.837 2.153 1.00 0.00 H new ATOM 1436 N MET A 97 13.797 -11.362 3.243 1.00 0.00 N ATOM 1437 CA MET A 97 13.430 -9.998 2.871 1.00 0.00 C ATOM 1438 C MET A 97 12.707 -9.273 4.002 1.00 0.00 C ATOM 1439 O MET A 97 13.271 -8.388 4.645 1.00 0.00 O ATOM 1440 CB MET A 97 12.544 -9.998 1.624 1.00 0.00 C ATOM 1441 CG MET A 97 13.281 -10.354 0.346 1.00 0.00 C ATOM 1442 SD MET A 97 14.645 -9.231 -0.005 1.00 0.00 S ATOM 1443 CE MET A 97 13.743 -7.762 -0.486 1.00 0.00 C ATOM 0 H MET A 97 13.090 -12.066 3.031 1.00 0.00 H new ATOM 0 HA MET A 97 14.359 -9.467 2.662 1.00 0.00 H new ATOM 0 HB2 MET A 97 11.728 -10.705 1.770 1.00 0.00 H new ATOM 0 HB3 MET A 97 12.094 -9.012 1.510 1.00 0.00 H new ATOM 0 HG2 MET A 97 13.664 -11.371 0.424 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.580 -10.340 -0.489 1.00 0.00 H new ATOM 0 HE1 MET A 97 14.148 -7.377 -1.422 1.00 0.00 H new ATOM 0 HE2 MET A 97 12.690 -8.009 -0.621 1.00 0.00 H new ATOM 0 HE3 MET A 97 13.841 -7.004 0.291 1.00 0.00 H new ATOM 1453 N VAL A 98 11.445 -9.633 4.216 1.00 0.00 N ATOM 1454 CA VAL A 98 10.632 -8.993 5.241 1.00 0.00 C ATOM 1455 C VAL A 98 11.209 -9.185 6.646 1.00 0.00 C ATOM 1456 O VAL A 98 11.560 -8.210 7.307 1.00 0.00 O ATOM 1457 CB VAL A 98 9.148 -9.475 5.169 1.00 0.00 C ATOM 1458 CG1 VAL A 98 8.688 -10.204 6.433 1.00 0.00 C ATOM 1459 CG2 VAL A 98 8.228 -8.298 4.883 1.00 0.00 C ATOM 0 H VAL A 98 10.965 -10.365 3.692 1.00 0.00 H new ATOM 0 HA VAL A 98 10.650 -7.923 5.035 1.00 0.00 H new ATOM 0 HB VAL A 98 9.095 -10.197 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.649 -10.512 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.312 -11.083 6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.775 -9.536 7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.196 -8.646 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.325 -7.559 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.503 -7.845 3.931 1.00 0.00 H new ATOM 1469 N SER A 99 11.292 -10.427 7.111 1.00 0.00 N ATOM 1470 CA SER A 99 11.800 -10.689 8.454 1.00 0.00 C ATOM 1471 C SER A 99 13.163 -10.043 8.705 1.00 0.00 C ATOM 1472 O SER A 99 13.616 -9.970 9.847 1.00 0.00 O ATOM 1473 CB SER A 99 11.877 -12.182 8.742 1.00 0.00 C ATOM 1474 OG SER A 99 12.974 -12.780 8.074 1.00 0.00 O ATOM 0 H SER A 99 11.018 -11.258 6.587 1.00 0.00 H new ATOM 0 HA SER A 99 11.084 -10.232 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.971 -12.343 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.951 -12.663 8.428 1.00 0.00 H new ATOM 0 HG SER A 99 13.096 -13.696 8.400 1.00 0.00 H new ATOM 1480 N LYS A 100 13.824 -9.591 7.644 1.00 0.00 N ATOM 1481 CA LYS A 100 15.136 -8.975 7.777 1.00 0.00 C ATOM 1482 C LYS A 100 15.094 -7.691 8.593 1.00 0.00 C ATOM 1483 O LYS A 100 15.723 -7.599 9.646 1.00 0.00 O ATOM 1484 CB LYS A 100 15.741 -8.699 6.401 1.00 0.00 C ATOM 1485 CG LYS A 100 17.137 -8.102 6.457 1.00 0.00 C ATOM 1486 CD LYS A 100 17.100 -6.586 6.355 1.00 0.00 C ATOM 1487 CE LYS A 100 16.520 -6.132 5.025 1.00 0.00 C ATOM 1488 NZ LYS A 100 17.075 -4.818 4.596 1.00 0.00 N ATOM 0 H LYS A 100 13.473 -9.640 6.687 1.00 0.00 H new ATOM 0 HA LYS A 100 15.765 -9.684 8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.776 -9.630 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.086 -8.019 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 100 17.621 -8.393 7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 100 17.740 -8.508 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.503 -6.180 7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 100 18.108 -6.188 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.731 -6.882 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.436 -6.058 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.654 -4.544 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.852 -4.097 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.107 -4.894 4.492 1.00 0.00 H new ATOM 1502 N ASN A 101 14.369 -6.698 8.105 1.00 0.00 N ATOM 1503 CA ASN A 101 14.281 -5.428 8.804 1.00 0.00 C ATOM 1504 C ASN A 101 13.295 -5.513 9.961 1.00 0.00 C ATOM 1505 O ASN A 101 13.601 -5.081 11.072 1.00 0.00 O ATOM 1506 CB ASN A 101 13.886 -4.307 7.840 1.00 0.00 C ATOM 1507 CG ASN A 101 12.571 -4.571 7.133 1.00 0.00 C ATOM 1508 OD1 ASN A 101 11.517 -4.114 7.570 1.00 0.00 O ATOM 1509 ND2 ASN A 101 12.630 -5.306 6.029 1.00 0.00 N ATOM 0 H ASN A 101 13.838 -6.746 7.236 1.00 0.00 H new ATOM 0 HA ASN A 101 15.265 -5.198 9.213 1.00 0.00 H new ATOM 0 HB2 ASN A 101 13.814 -3.369 8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 101 14.673 -4.180 7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.778 -5.512 5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 101 13.527 -5.665 5.703 1.00 0.00 H new ATOM 1516 N ILE A 102 12.111 -6.063 9.692 1.00 0.00 N ATOM 1517 CA ILE A 102 11.070 -6.197 10.698 1.00 0.00 C ATOM 1518 C ILE A 102 10.982 -4.962 11.586 1.00 0.00 C ATOM 1519 O ILE A 102 11.750 -4.793 12.532 1.00 0.00 O ATOM 1520 CB ILE A 102 11.265 -7.460 11.568 1.00 0.00 C ATOM 1521 CG1 ILE A 102 11.041 -8.709 10.719 1.00 0.00 C ATOM 1522 CG2 ILE A 102 10.325 -7.456 12.772 1.00 0.00 C ATOM 1523 CD1 ILE A 102 9.580 -9.106 10.554 1.00 0.00 C ATOM 0 H ILE A 102 11.852 -6.425 8.774 1.00 0.00 H new ATOM 0 HA ILE A 102 10.131 -6.300 10.155 1.00 0.00 H new ATOM 0 HB ILE A 102 12.287 -7.462 11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.474 -8.545 9.732 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.582 -9.541 11.170 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.487 -8.357 13.363 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.525 -6.578 13.386 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.291 -7.430 12.427 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.514 -10.002 9.937 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.145 -9.306 11.533 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.034 -8.294 10.073 1.00 0.00 H new ATOM 1535 N GLY A 103 10.019 -4.114 11.271 1.00 0.00 N ATOM 1536 CA GLY A 103 9.808 -2.901 12.039 1.00 0.00 C ATOM 1537 C GLY A 103 10.496 -1.691 11.438 1.00 0.00 C ATOM 1538 O GLY A 103 10.720 -0.694 12.127 1.00 0.00 O ATOM 0 H GLY A 103 9.373 -4.242 10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.738 -2.705 12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.174 -3.053 13.055 1.00 0.00 H new ATOM 1542 N SER A 104 10.834 -1.771 10.156 1.00 0.00 N ATOM 1543 CA SER A 104 11.498 -0.668 9.474 1.00 0.00 C ATOM 1544 C SER A 104 10.509 0.124 8.625 1.00 0.00 C ATOM 1545 O SER A 104 9.768 -0.445 7.824 1.00 0.00 O ATOM 1546 CB SER A 104 12.633 -1.191 8.594 1.00 0.00 C ATOM 1547 OG SER A 104 13.813 -1.395 9.352 1.00 0.00 O ATOM 0 H SER A 104 10.659 -2.587 9.569 1.00 0.00 H new ATOM 0 HA SER A 104 11.912 -0.005 10.234 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.332 -2.128 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.831 -0.481 7.791 1.00 0.00 H new ATOM 0 HG SER A 104 14.597 -1.259 8.780 1.00 0.00 H new ATOM 1553 N THR A 105 10.506 1.439 8.807 1.00 0.00 N ATOM 1554 CA THR A 105 9.611 2.312 8.059 1.00 0.00 C ATOM 1555 C THR A 105 10.312 2.900 6.836 1.00 0.00 C ATOM 1556 O THR A 105 9.899 3.934 6.310 1.00 0.00 O ATOM 1557 CB THR A 105 9.098 3.435 8.961 1.00 0.00 C ATOM 1558 OG1 THR A 105 9.148 3.046 10.324 1.00 0.00 O ATOM 1559 CG2 THR A 105 7.674 3.846 8.655 1.00 0.00 C ATOM 0 H THR A 105 11.114 1.924 9.467 1.00 0.00 H new ATOM 0 HA THR A 105 8.766 1.716 7.713 1.00 0.00 H new ATOM 0 HB THR A 105 9.754 4.283 8.767 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.605 2.241 10.455 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.373 4.646 9.331 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.610 4.198 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 105 7.012 2.990 8.788 1.00 0.00 H new ATOM 1567 N THR A 106 11.369 2.231 6.385 1.00 0.00 N ATOM 1568 CA THR A 106 12.122 2.681 5.221 1.00 0.00 C ATOM 1569 C THR A 106 11.939 1.713 4.056 1.00 0.00 C ATOM 1570 O THR A 106 11.950 2.115 2.893 1.00 0.00 O ATOM 1571 CB THR A 106 13.606 2.811 5.565 1.00 0.00 C ATOM 1572 OG1 THR A 106 13.779 3.086 6.944 1.00 0.00 O ATOM 1573 CG2 THR A 106 14.307 3.905 4.788 1.00 0.00 C ATOM 0 H THR A 106 11.723 1.374 6.810 1.00 0.00 H new ATOM 0 HA THR A 106 11.741 3.659 4.925 1.00 0.00 H new ATOM 0 HB THR A 106 14.050 1.853 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 106 14.735 3.164 7.145 1.00 0.00 H new ATOM 0 HG21 THR A 106 15.356 3.943 5.080 1.00 0.00 H new ATOM 0 HG22 THR A 106 14.235 3.697 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 106 13.835 4.864 5.003 1.00 0.00 H new ATOM 1581 N ASN A 107 11.768 0.435 4.379 1.00 0.00 N ATOM 1582 CA ASN A 107 11.578 -0.594 3.365 1.00 0.00 C ATOM 1583 C ASN A 107 10.132 -1.084 3.356 1.00 0.00 C ATOM 1584 O ASN A 107 9.855 -2.247 3.650 1.00 0.00 O ATOM 1585 CB ASN A 107 12.529 -1.767 3.614 1.00 0.00 C ATOM 1586 CG ASN A 107 12.695 -2.646 2.390 1.00 0.00 C ATOM 1587 OD1 ASN A 107 11.905 -3.710 2.314 1.00 0.00 O flip ATOM 1588 ND2 ASN A 107 13.525 -2.371 1.523 1.00 0.00 N flip ATOM 0 H ASN A 107 11.757 0.087 5.338 1.00 0.00 H new ATOM 0 HA ASN A 107 11.801 -0.159 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.503 -1.383 3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.151 -2.368 4.441 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.111 -1.542 1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 107 13.626 -2.972 0.705 1.00 0.00 H new ATOM 1595 N THR A 108 9.215 -0.186 3.012 1.00 0.00 N ATOM 1596 CA THR A 108 7.797 -0.518 2.961 1.00 0.00 C ATOM 1597 C THR A 108 7.430 -1.161 1.625 1.00 0.00 C ATOM 1598 O THR A 108 6.275 -1.521 1.396 1.00 0.00 O ATOM 1599 CB THR A 108 6.952 0.737 3.183 1.00 0.00 C ATOM 1600 OG1 THR A 108 7.595 1.622 4.084 1.00 0.00 O ATOM 1601 CG2 THR A 108 5.576 0.440 3.736 1.00 0.00 C ATOM 0 H THR A 108 9.430 0.780 2.764 1.00 0.00 H new ATOM 0 HA THR A 108 7.591 -1.236 3.755 1.00 0.00 H new ATOM 0 HB THR A 108 6.841 1.189 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.040 2.419 4.212 1.00 0.00 H new ATOM 0 HG21 THR A 108 5.029 1.373 3.870 1.00 0.00 H new ATOM 0 HG22 THR A 108 5.035 -0.201 3.040 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.671 -0.066 4.697 1.00 0.00 H new ATOM 1609 N SER A 109 8.415 -1.289 0.741 1.00 0.00 N ATOM 1610 CA SER A 109 8.197 -1.872 -0.575 1.00 0.00 C ATOM 1611 C SER A 109 7.732 -3.325 -0.493 1.00 0.00 C ATOM 1612 O SER A 109 7.242 -3.873 -1.480 1.00 0.00 O ATOM 1613 CB SER A 109 9.478 -1.786 -1.406 1.00 0.00 C ATOM 1614 OG SER A 109 10.008 -0.472 -1.392 1.00 0.00 O ATOM 0 H SER A 109 9.376 -0.995 0.915 1.00 0.00 H new ATOM 0 HA SER A 109 7.405 -1.298 -1.056 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.217 -2.484 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.270 -2.087 -2.433 1.00 0.00 H new ATOM 0 HG SER A 109 10.827 -0.444 -1.929 1.00 0.00 H new ATOM 1620 N LEU A 110 7.888 -3.959 0.670 1.00 0.00 N ATOM 1621 CA LEU A 110 7.475 -5.352 0.814 1.00 0.00 C ATOM 1622 C LEU A 110 6.752 -5.626 2.131 1.00 0.00 C ATOM 1623 O LEU A 110 6.967 -6.665 2.754 1.00 0.00 O ATOM 1624 CB LEU A 110 8.676 -6.293 0.672 1.00 0.00 C ATOM 1625 CG LEU A 110 9.932 -5.896 1.446 1.00 0.00 C ATOM 1626 CD1 LEU A 110 9.801 -6.270 2.919 1.00 0.00 C ATOM 1627 CD2 LEU A 110 11.153 -6.567 0.828 1.00 0.00 C ATOM 0 H LEU A 110 8.289 -3.539 1.509 1.00 0.00 H new ATOM 0 HA LEU A 110 6.764 -5.544 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.373 -7.289 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.932 -6.366 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 110 10.054 -4.815 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.707 -5.978 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.944 -5.753 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.658 -7.347 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.046 -6.281 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.032 -7.650 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.255 -6.251 -0.210 1.00 0.00 H new ATOM 1639 N ASP A 111 5.866 -4.720 2.537 1.00 0.00 N ATOM 1640 CA ASP A 111 5.102 -4.903 3.744 1.00 0.00 C ATOM 1641 C ASP A 111 3.657 -5.152 3.351 1.00 0.00 C ATOM 1642 O ASP A 111 2.955 -4.225 2.950 1.00 0.00 O ATOM 1643 CB ASP A 111 5.200 -3.666 4.640 1.00 0.00 C ATOM 1644 CG ASP A 111 6.596 -3.074 4.697 1.00 0.00 C ATOM 1645 OD1 ASP A 111 7.432 -3.422 3.838 1.00 0.00 O ATOM 1646 OD2 ASP A 111 6.853 -2.258 5.607 1.00 0.00 O ATOM 0 H ASP A 111 5.667 -3.853 2.038 1.00 0.00 H new ATOM 0 HA ASP A 111 5.495 -5.750 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 111 4.506 -2.908 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.884 -3.931 5.649 1.00 0.00 H new ATOM 1651 N LEU A 112 3.218 -6.406 3.446 1.00 0.00 N ATOM 1652 CA LEU A 112 1.846 -6.771 3.081 1.00 0.00 C ATOM 1653 C LEU A 112 0.860 -5.697 3.528 1.00 0.00 C ATOM 1654 O LEU A 112 -0.194 -5.504 2.921 1.00 0.00 O ATOM 1655 CB LEU A 112 1.460 -8.110 3.714 1.00 0.00 C ATOM 1656 CG LEU A 112 2.511 -9.215 3.618 1.00 0.00 C ATOM 1657 CD1 LEU A 112 2.105 -10.408 4.472 1.00 0.00 C ATOM 1658 CD2 LEU A 112 2.714 -9.625 2.169 1.00 0.00 C ATOM 0 H LEU A 112 3.789 -7.186 3.771 1.00 0.00 H new ATOM 0 HA LEU A 112 1.804 -6.860 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.232 -7.941 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.543 -8.464 3.242 1.00 0.00 H new ATOM 0 HG LEU A 112 3.459 -8.834 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.864 -11.187 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.012 -10.096 5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.148 -10.797 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.465 -10.413 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.773 -9.993 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.049 -8.764 1.591 1.00 0.00 H new ATOM 1670 N ASN A 113 1.223 -5.009 4.597 1.00 0.00 N ATOM 1671 CA ASN A 113 0.412 -3.956 5.161 1.00 0.00 C ATOM 1672 C ASN A 113 0.875 -2.590 4.679 1.00 0.00 C ATOM 1673 O ASN A 113 0.068 -1.697 4.439 1.00 0.00 O ATOM 1674 CB ASN A 113 0.540 -4.009 6.673 1.00 0.00 C ATOM 1675 CG ASN A 113 -0.692 -4.579 7.344 1.00 0.00 C ATOM 1676 OD1 ASN A 113 -1.353 -5.468 6.806 1.00 0.00 O ATOM 1677 ND2 ASN A 113 -1.009 -4.071 8.530 1.00 0.00 N ATOM 0 H ASN A 113 2.097 -5.171 5.098 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.622 -4.102 4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.407 -4.614 6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.724 -3.004 7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.828 -4.417 9.031 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.434 -3.335 8.940 1.00 0.00 H new ATOM 1684 N LYS A 114 2.189 -2.431 4.588 1.00 0.00 N ATOM 1685 CA LYS A 114 2.787 -1.164 4.188 1.00 0.00 C ATOM 1686 C LYS A 114 2.606 -0.155 5.306 1.00 0.00 C ATOM 1687 O LYS A 114 2.456 1.042 5.065 1.00 0.00 O ATOM 1688 CB LYS A 114 2.167 -0.627 2.900 1.00 0.00 C ATOM 1689 CG LYS A 114 2.389 -1.525 1.693 1.00 0.00 C ATOM 1690 CD LYS A 114 2.890 -0.736 0.494 1.00 0.00 C ATOM 1691 CE LYS A 114 1.938 0.391 0.122 1.00 0.00 C ATOM 1692 NZ LYS A 114 2.668 1.614 -0.313 1.00 0.00 N ATOM 0 H LYS A 114 2.865 -3.169 4.787 1.00 0.00 H new ATOM 0 HA LYS A 114 3.847 -1.331 3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.096 -0.495 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.584 0.358 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.110 -2.303 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.456 -2.027 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 114 3.874 -0.322 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.011 -1.406 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.277 0.059 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.307 0.630 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.984 2.358 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.280 1.946 0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.251 1.393 -1.145 1.00 0.00 H new ATOM 1706 N ASP A 115 2.618 -0.654 6.539 1.00 0.00 N ATOM 1707 CA ASP A 115 2.455 0.199 7.702 1.00 0.00 C ATOM 1708 C ASP A 115 3.771 0.886 8.058 1.00 0.00 C ATOM 1709 O ASP A 115 3.837 1.651 9.021 1.00 0.00 O ATOM 1710 CB ASP A 115 1.938 -0.619 8.891 1.00 0.00 C ATOM 1711 CG ASP A 115 2.956 -1.626 9.391 1.00 0.00 C ATOM 1712 OD1 ASP A 115 3.206 -2.621 8.679 1.00 0.00 O ATOM 1713 OD2 ASP A 115 3.503 -1.418 10.495 1.00 0.00 O ATOM 0 H ASP A 115 2.739 -1.644 6.754 1.00 0.00 H new ATOM 0 HA ASP A 115 1.723 0.970 7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.671 0.057 9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.027 -1.142 8.599 1.00 0.00 H new ATOM 1718 N GLY A 116 4.821 0.612 7.279 1.00 0.00 N ATOM 1719 CA GLY A 116 6.110 1.221 7.550 1.00 0.00 C ATOM 1720 C GLY A 116 6.850 0.505 8.658 1.00 0.00 C ATOM 1721 O GLY A 116 7.524 1.130 9.478 1.00 0.00 O ATOM 0 H GLY A 116 4.799 -0.015 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.715 1.210 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.967 2.266 7.825 1.00 0.00 H new ATOM 1725 N SER A 117 6.714 -0.812 8.678 1.00 0.00 N ATOM 1726 CA SER A 117 7.363 -1.642 9.687 1.00 0.00 C ATOM 1727 C SER A 117 7.116 -3.102 9.399 1.00 0.00 C ATOM 1728 O SER A 117 5.999 -3.593 9.563 1.00 0.00 O ATOM 1729 CB SER A 117 6.834 -1.317 11.087 1.00 0.00 C ATOM 1730 OG SER A 117 7.782 -0.576 11.835 1.00 0.00 O ATOM 0 H SER A 117 6.156 -1.334 8.002 1.00 0.00 H new ATOM 0 HA SER A 117 8.432 -1.433 9.652 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.907 -0.749 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.596 -2.242 11.612 1.00 0.00 H new ATOM 0 HG SER A 117 8.020 0.239 11.346 1.00 0.00 H new ATOM 1736 N ILE A 118 8.156 -3.806 8.991 1.00 0.00 N ATOM 1737 CA ILE A 118 8.011 -5.211 8.718 1.00 0.00 C ATOM 1738 C ILE A 118 7.707 -5.948 10.001 1.00 0.00 C ATOM 1739 O ILE A 118 8.549 -6.140 10.867 1.00 0.00 O ATOM 1740 CB ILE A 118 9.237 -5.802 8.000 1.00 0.00 C ATOM 1741 CG1 ILE A 118 9.233 -5.339 6.547 1.00 0.00 C ATOM 1742 CG2 ILE A 118 9.223 -7.322 8.066 1.00 0.00 C ATOM 1743 CD1 ILE A 118 7.862 -5.425 5.917 1.00 0.00 C ATOM 0 H ILE A 118 9.093 -3.430 8.845 1.00 0.00 H new ATOM 0 HA ILE A 118 7.175 -5.337 8.030 1.00 0.00 H new ATOM 0 HB ILE A 118 10.143 -5.453 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.589 -4.310 6.496 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.932 -5.947 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.099 -7.717 7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.240 -7.641 9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.320 -7.699 7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.915 -5.084 4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.515 -6.458 5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.166 -4.795 6.472 1.00 0.00 H new ATOM 1755 N ASP A 119 6.467 -6.320 10.115 1.00 0.00 N ATOM 1756 CA ASP A 119 5.989 -7.017 11.296 1.00 0.00 C ATOM 1757 C ASP A 119 5.108 -8.204 10.927 1.00 0.00 C ATOM 1758 O ASP A 119 5.212 -8.748 9.828 1.00 0.00 O ATOM 1759 CB ASP A 119 5.240 -6.043 12.208 1.00 0.00 C ATOM 1760 CG ASP A 119 5.533 -6.283 13.676 1.00 0.00 C ATOM 1761 OD1 ASP A 119 5.851 -7.436 14.038 1.00 0.00 O ATOM 1762 OD2 ASP A 119 5.443 -5.318 14.465 1.00 0.00 O ATOM 0 H ASP A 119 5.754 -6.156 9.404 1.00 0.00 H new ATOM 0 HA ASP A 119 6.852 -7.411 11.833 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.516 -5.021 11.948 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.168 -6.138 12.034 1.00 0.00 H new ATOM 1767 N GLU A 120 4.245 -8.600 11.857 1.00 0.00 N ATOM 1768 CA GLU A 120 3.344 -9.732 11.644 1.00 0.00 C ATOM 1769 C GLU A 120 2.473 -9.523 10.411 1.00 0.00 C ATOM 1770 O GLU A 120 2.259 -10.443 9.623 1.00 0.00 O ATOM 1771 CB GLU A 120 2.460 -9.940 12.876 1.00 0.00 C ATOM 1772 CG GLU A 120 3.160 -10.671 14.010 1.00 0.00 C ATOM 1773 CD GLU A 120 2.702 -10.200 15.377 1.00 0.00 C ATOM 1774 OE1 GLU A 120 1.615 -9.591 15.462 1.00 0.00 O ATOM 1775 OE2 GLU A 120 3.431 -10.440 16.362 1.00 0.00 O ATOM 0 H GLU A 120 4.149 -8.153 12.769 1.00 0.00 H new ATOM 0 HA GLU A 120 3.955 -10.620 11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 120 2.119 -8.969 13.236 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.572 -10.502 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.974 -11.741 13.917 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.237 -10.526 13.921 1.00 0.00 H new ATOM 1782 N TYR A 121 1.975 -8.303 10.253 1.00 0.00 N ATOM 1783 CA TYR A 121 1.123 -7.953 9.121 1.00 0.00 C ATOM 1784 C TYR A 121 1.767 -8.370 7.803 1.00 0.00 C ATOM 1785 O TYR A 121 1.076 -8.650 6.823 1.00 0.00 O ATOM 1786 CB TYR A 121 0.847 -6.438 9.089 1.00 0.00 C ATOM 1787 CG TYR A 121 1.342 -5.671 10.300 1.00 0.00 C ATOM 1788 CD1 TYR A 121 0.693 -5.762 11.526 1.00 0.00 C ATOM 1789 CD2 TYR A 121 2.461 -4.852 10.212 1.00 0.00 C ATOM 1790 CE1 TYR A 121 1.144 -5.059 12.627 1.00 0.00 C ATOM 1791 CE2 TYR A 121 2.918 -4.147 11.309 1.00 0.00 C ATOM 1792 CZ TYR A 121 2.257 -4.254 12.513 1.00 0.00 C ATOM 1793 OH TYR A 121 2.709 -3.553 13.608 1.00 0.00 O ATOM 0 H TYR A 121 2.148 -7.533 10.900 1.00 0.00 H new ATOM 0 HA TYR A 121 0.182 -8.488 9.245 1.00 0.00 H new ATOM 0 HB2 TYR A 121 1.311 -6.018 8.197 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.227 -6.282 8.993 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.179 -6.393 11.620 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.982 -4.765 9.270 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.627 -5.140 13.572 1.00 0.00 H new ATOM 0 HE2 TYR A 121 3.789 -3.515 11.223 1.00 0.00 H new ATOM 0 HH TYR A 121 3.503 -3.035 13.360 1.00 0.00 H new ATOM 1803 N GLU A 122 3.094 -8.373 7.777 1.00 0.00 N ATOM 1804 CA GLU A 122 3.841 -8.713 6.571 1.00 0.00 C ATOM 1805 C GLU A 122 4.218 -10.195 6.493 1.00 0.00 C ATOM 1806 O GLU A 122 4.636 -10.678 5.442 1.00 0.00 O ATOM 1807 CB GLU A 122 5.088 -7.839 6.475 1.00 0.00 C ATOM 1808 CG GLU A 122 4.936 -6.499 7.177 1.00 0.00 C ATOM 1809 CD GLU A 122 3.693 -5.741 6.756 1.00 0.00 C ATOM 1810 OE1 GLU A 122 2.872 -6.310 6.007 1.00 0.00 O ATOM 1811 OE2 GLU A 122 3.541 -4.575 7.175 1.00 0.00 O ATOM 0 H GLU A 122 3.678 -8.143 8.581 1.00 0.00 H new ATOM 0 HA GLU A 122 3.185 -8.520 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.933 -8.374 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.323 -7.667 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.907 -6.662 8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.814 -5.887 6.971 1.00 0.00 H new ATOM 1818 N ILE A 123 4.072 -10.912 7.595 1.00 0.00 N ATOM 1819 CA ILE A 123 4.401 -12.338 7.623 1.00 0.00 C ATOM 1820 C ILE A 123 3.163 -13.200 7.385 1.00 0.00 C ATOM 1821 O ILE A 123 3.264 -14.330 6.910 1.00 0.00 O ATOM 1822 CB ILE A 123 5.043 -12.762 8.963 1.00 0.00 C ATOM 1823 CG1 ILE A 123 5.793 -11.593 9.606 1.00 0.00 C ATOM 1824 CG2 ILE A 123 5.983 -13.939 8.746 1.00 0.00 C ATOM 1825 CD1 ILE A 123 6.799 -10.936 8.686 1.00 0.00 C ATOM 0 H ILE A 123 3.730 -10.538 8.480 1.00 0.00 H new ATOM 0 HA ILE A 123 5.121 -12.495 6.819 1.00 0.00 H new ATOM 0 HB ILE A 123 4.246 -13.067 9.642 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.071 -10.845 9.933 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.308 -11.950 10.498 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.429 -14.229 9.697 1.00 0.00 H new ATOM 0 HG22 ILE A 123 5.424 -14.780 8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.770 -13.652 8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.291 -10.117 9.210 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.544 -11.670 8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.287 -10.548 7.805 1.00 0.00 H new ATOM 1837 N SER A 124 1.999 -12.661 7.735 1.00 0.00 N ATOM 1838 CA SER A 124 0.728 -13.372 7.587 1.00 0.00 C ATOM 1839 C SER A 124 0.621 -14.117 6.253 1.00 0.00 C ATOM 1840 O SER A 124 0.447 -15.335 6.229 1.00 0.00 O ATOM 1841 CB SER A 124 -0.439 -12.392 7.727 1.00 0.00 C ATOM 1842 OG SER A 124 -1.261 -12.732 8.830 1.00 0.00 O ATOM 0 H SER A 124 1.907 -11.724 8.128 1.00 0.00 H new ATOM 0 HA SER A 124 0.686 -14.119 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 124 -0.055 -11.380 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.032 -12.395 6.813 1.00 0.00 H new ATOM 0 HG SER A 124 -1.297 -11.979 9.456 1.00 0.00 H new ATOM 1848 N PHE A 125 0.702 -13.380 5.150 1.00 0.00 N ATOM 1849 CA PHE A 125 0.586 -13.981 3.822 1.00 0.00 C ATOM 1850 C PHE A 125 1.612 -15.090 3.606 1.00 0.00 C ATOM 1851 O PHE A 125 1.265 -16.271 3.603 1.00 0.00 O ATOM 1852 CB PHE A 125 0.739 -12.915 2.736 1.00 0.00 C ATOM 1853 CG PHE A 125 0.536 -13.443 1.345 1.00 0.00 C ATOM 1854 CD1 PHE A 125 -0.694 -13.945 0.953 1.00 0.00 C ATOM 1855 CD2 PHE A 125 1.575 -13.436 0.428 1.00 0.00 C ATOM 1856 CE1 PHE A 125 -0.885 -14.432 -0.326 1.00 0.00 C ATOM 1857 CE2 PHE A 125 1.390 -13.921 -0.853 1.00 0.00 C ATOM 1858 CZ PHE A 125 0.160 -14.419 -1.231 1.00 0.00 C ATOM 0 H PHE A 125 0.847 -12.370 5.147 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.407 -14.426 3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.022 -12.115 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.734 -12.475 2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.514 -13.956 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 125 2.540 -13.047 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.849 -14.822 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.208 -13.910 -1.558 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.014 -14.798 -2.232 1.00 0.00 H new ATOM 1868 N ILE A 126 2.870 -14.703 3.407 1.00 0.00 N ATOM 1869 CA ILE A 126 3.947 -15.672 3.168 1.00 0.00 C ATOM 1870 C ILE A 126 3.829 -16.879 4.096 1.00 0.00 C ATOM 1871 O ILE A 126 3.823 -18.021 3.638 1.00 0.00 O ATOM 1872 CB ILE A 126 5.368 -15.063 3.320 1.00 0.00 C ATOM 1873 CG1 ILE A 126 5.339 -13.528 3.364 1.00 0.00 C ATOM 1874 CG2 ILE A 126 6.264 -15.538 2.182 1.00 0.00 C ATOM 1875 CD1 ILE A 126 4.922 -12.885 2.057 1.00 0.00 C ATOM 0 H ILE A 126 3.172 -13.729 3.406 1.00 0.00 H new ATOM 0 HA ILE A 126 3.823 -15.984 2.131 1.00 0.00 H new ATOM 0 HB ILE A 126 5.772 -15.408 4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.654 -13.210 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 126 6.329 -13.163 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 126 7.258 -15.106 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 126 6.336 -16.625 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.839 -15.223 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 126 4.926 -11.801 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 126 5.621 -13.172 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.919 -13.219 1.791 1.00 0.00 H new ATOM 1887 N ASN A 127 3.729 -16.622 5.399 1.00 0.00 N ATOM 1888 CA ASN A 127 3.609 -17.696 6.386 1.00 0.00 C ATOM 1889 C ASN A 127 2.619 -18.761 5.923 1.00 0.00 C ATOM 1890 O ASN A 127 2.805 -19.951 6.179 1.00 0.00 O ATOM 1891 CB ASN A 127 3.166 -17.133 7.738 1.00 0.00 C ATOM 1892 CG ASN A 127 4.338 -16.687 8.590 1.00 0.00 C ATOM 1893 OD1 ASN A 127 5.479 -16.654 8.130 1.00 0.00 O ATOM 1894 ND2 ASN A 127 4.060 -16.340 9.842 1.00 0.00 N ATOM 0 H ASN A 127 3.729 -15.682 5.796 1.00 0.00 H new ATOM 0 HA ASN A 127 4.590 -18.159 6.494 1.00 0.00 H new ATOM 0 HB2 ASN A 127 2.496 -16.288 7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 127 2.597 -17.892 8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 127 4.807 -16.031 10.463 1.00 0.00 H new ATOM 0 HD22 ASN A 127 3.099 -16.383 10.182 1.00 0.00 H new ATOM 1901 N HIS A 128 1.569 -18.324 5.235 1.00 0.00 N ATOM 1902 CA HIS A 128 0.552 -19.239 4.732 1.00 0.00 C ATOM 1903 C HIS A 128 0.867 -19.667 3.302 1.00 0.00 C ATOM 1904 O HIS A 128 0.844 -20.855 2.980 1.00 0.00 O ATOM 1905 CB HIS A 128 -0.828 -18.585 4.790 1.00 0.00 C ATOM 1906 CG HIS A 128 -1.327 -18.363 6.184 1.00 0.00 C ATOM 1907 ND1 HIS A 128 -2.453 -17.621 6.472 1.00 0.00 N ATOM 1908 CD2 HIS A 128 -0.846 -18.790 7.376 1.00 0.00 C ATOM 1909 CE1 HIS A 128 -2.643 -17.601 7.780 1.00 0.00 C ATOM 1910 NE2 HIS A 128 -1.681 -18.304 8.351 1.00 0.00 N ATOM 0 H HIS A 128 1.401 -17.343 5.013 1.00 0.00 H new ATOM 0 HA HIS A 128 0.551 -20.126 5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.790 -17.628 4.270 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -1.541 -19.211 4.253 1.00 0.00 H new ATOM 0 HD2 HIS A 128 0.032 -19.400 7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -3.447 -17.096 8.294 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -1.576 -18.460 9.353 1.00 0.00 H new ATOM 1919 N ARG A 129 1.162 -18.690 2.447 1.00 0.00 N ATOM 1920 CA ARG A 129 1.482 -18.966 1.049 1.00 0.00 C ATOM 1921 C ARG A 129 2.607 -19.991 0.939 1.00 0.00 C ATOM 1922 O ARG A 129 2.594 -20.851 0.058 1.00 0.00 O ATOM 1923 CB ARG A 129 1.881 -17.674 0.332 1.00 0.00 C ATOM 1924 CG ARG A 129 1.573 -17.685 -1.157 1.00 0.00 C ATOM 1925 CD ARG A 129 0.075 -17.694 -1.415 1.00 0.00 C ATOM 1926 NE ARG A 129 -0.234 -17.626 -2.842 1.00 0.00 N ATOM 1927 CZ ARG A 129 -1.456 -17.416 -3.326 1.00 0.00 C ATOM 1928 NH1 ARG A 129 -2.485 -17.254 -2.503 1.00 0.00 N ATOM 1929 NH2 ARG A 129 -1.650 -17.368 -4.636 1.00 0.00 N ATOM 0 H ARG A 129 1.186 -17.702 2.698 1.00 0.00 H new ATOM 0 HA ARG A 129 0.592 -19.379 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.362 -16.835 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.949 -17.505 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 129 2.019 -16.810 -1.629 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.028 -18.562 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -0.360 -18.599 -0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -0.386 -16.849 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 129 0.531 -17.746 -3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -2.341 -17.290 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -3.419 -17.093 -2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.863 -17.492 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -2.586 -17.207 -5.007 1.00 0.00 H new ATOM 1943 N ILE A 130 3.577 -19.893 1.843 1.00 0.00 N ATOM 1944 CA ILE A 130 4.708 -20.812 1.854 1.00 0.00 C ATOM 1945 C ILE A 130 4.235 -22.254 2.017 1.00 0.00 C ATOM 1946 O ILE A 130 4.526 -23.113 1.185 1.00 0.00 O ATOM 1947 CB ILE A 130 5.694 -20.471 2.990 1.00 0.00 C ATOM 1948 CG1 ILE A 130 6.225 -19.047 2.830 1.00 0.00 C ATOM 1949 CG2 ILE A 130 6.846 -21.466 3.020 1.00 0.00 C ATOM 1950 CD1 ILE A 130 6.451 -18.342 4.150 1.00 0.00 C ATOM 0 H ILE A 130 3.602 -19.186 2.577 1.00 0.00 H new ATOM 0 HA ILE A 130 5.219 -20.705 0.897 1.00 0.00 H new ATOM 0 HB ILE A 130 5.158 -20.537 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 130 7.163 -19.076 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 130 5.520 -18.469 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 130 7.530 -21.207 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 130 6.455 -22.470 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 130 7.379 -21.434 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 130 6.828 -17.336 3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 130 5.510 -18.282 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.178 -18.899 4.740 1.00 0.00 H new