USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1169 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 27 HIS :FLIP no HD1:sc= -0.253 F(o=-1.5,f=-0.25) USER MOD Set 1.2: A 37 CYS SG : rot -140:sc= 0.00583 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -162:sc= -0.0564 (180deg=-0.346) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -27:sc= 0.363 USER MOD Single : A 26 MET CE :methyl -133:sc= -0.361 (180deg=-0.646) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 35 LYS NZ :NH3+ -112:sc= -0.933 (180deg=-2.83!) USER MOD Single : A 39 GLN : amide:sc= 0.0134 X(o=0.013,f=-0.25) USER MOD Single : A 40 MET CE :methyl 149:sc= -0.229 (180deg=-0.807) USER MOD Single : A 41 GLN : amide:sc= -0.266 K(o=-0.27,f=-4.8!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0.294 F(o=-0.97,f=0.29) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00878) USER MOD Single : A 46 MET CE :methyl 158:sc=-0.00636 (180deg=-1.41) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.578 F(o=-2.2,f=-0.58) USER MOD Single : A 50 GLN : amide:sc= -2.72! C(o=-2.7!,f=-5.5!) USER MOD Single : A 51 ASN : amide:sc= -3.13 K(o=-3.1,f=-9.1!) USER MOD Single : A 53 GLN : amide:sc= -0.0739 K(o=-0.074,f=-1.9!) USER MOD Single : A 57 CYS SG : rot -19:sc= 0.00738 USER MOD Single : A 58 GLN :FLIP amide:sc= -4.15! C(o=-6.7!,f=-4.2!) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.8) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.963 X(o=-0.96,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= -0.74 (180deg=-0.897) USER MOD Single : A 72 ASN : amide:sc= -0.0507 X(o=-0.051,f=-0.5) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.11 F(o=-2.5!,f=-1.1) USER MOD Single : A 82 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.3!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-6.2!) USER MOD Single : A 87 SER OG : rot -167:sc= 1.08 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 93 TYR OH : rot 177:sc= 0.196 USER MOD Single : A 95 GLN : amide:sc=-0.00701 K(o=-0.007,f=-1.4!) USER MOD Single : A 97 TYR OH : rot -100:sc= 1.02 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 115:sc= 0.758 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.127 K(o=-0.13,f=-2!) USER MOD Single : A 115 LYS NZ :NH3+ -152:sc= -1.26! (180deg=-2.66!) USER MOD Single : A 120 HIS : no HE2:sc= -1.58 X(o=-1.6,f=-1.3) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.941 K(o=-0.94,f=-1.8!) USER MOD Single : A 132 THR OG1 : rot -70:sc= 1.04 USER MOD Single : A 138 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.022) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 SER OG : rot -53:sc= 0.0725 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.505 9.573 -11.940 1.00 0.00 N ATOM 2 CA GLY A 1 -11.291 8.766 -13.127 1.00 0.00 C ATOM 3 C GLY A 1 -11.393 9.575 -14.404 1.00 0.00 C ATOM 4 O GLY A 1 -10.462 10.294 -14.767 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.425 8.974 -11.094 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.790 10.327 -11.899 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.454 9.997 -11.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.307 8.300 -13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.024 7.960 -13.152 1.00 0.00 H new ATOM 8 N SER A 2 -12.526 9.456 -15.089 1.00 0.00 N ATOM 9 CA SER A 2 -12.743 10.179 -16.337 1.00 0.00 C ATOM 10 C SER A 2 -13.293 11.576 -16.067 1.00 0.00 C ATOM 11 O SER A 2 -12.677 12.578 -16.431 1.00 0.00 O ATOM 12 CB SER A 2 -13.708 9.404 -17.238 1.00 0.00 C ATOM 13 OG SER A 2 -13.604 9.832 -18.585 1.00 0.00 O ATOM 0 H SER A 2 -13.307 8.866 -14.801 1.00 0.00 H new ATOM 0 HA SER A 2 -11.783 10.277 -16.843 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.492 8.337 -17.174 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.730 9.544 -16.887 1.00 0.00 H new ATOM 0 HG SER A 2 -14.229 9.321 -19.140 1.00 0.00 H new ATOM 19 N SER A 3 -14.456 11.634 -15.427 1.00 0.00 N ATOM 20 CA SER A 3 -15.092 12.908 -15.111 1.00 0.00 C ATOM 21 C SER A 3 -14.706 13.375 -13.711 1.00 0.00 C ATOM 22 O SER A 3 -14.043 12.656 -12.965 1.00 0.00 O ATOM 23 CB SER A 3 -16.613 12.784 -15.218 1.00 0.00 C ATOM 24 OG SER A 3 -17.101 11.758 -14.371 1.00 0.00 O ATOM 0 H SER A 3 -14.977 10.814 -15.117 1.00 0.00 H new ATOM 0 HA SER A 3 -14.744 13.648 -15.831 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.078 13.733 -14.951 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.892 12.572 -16.250 1.00 0.00 H new ATOM 0 HG SER A 3 -18.076 11.700 -14.456 1.00 0.00 H new ATOM 30 N GLY A 4 -15.126 14.588 -13.361 1.00 0.00 N ATOM 31 CA GLY A 4 -14.815 15.131 -12.052 1.00 0.00 C ATOM 32 C GLY A 4 -15.968 15.920 -11.463 1.00 0.00 C ATOM 33 O GLY A 4 -16.727 16.559 -12.191 1.00 0.00 O ATOM 0 H GLY A 4 -15.676 15.203 -13.961 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.554 14.316 -11.377 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.939 15.775 -12.128 1.00 0.00 H new ATOM 37 N SER A 5 -16.100 15.874 -10.142 1.00 0.00 N ATOM 38 CA SER A 5 -17.172 16.586 -9.456 1.00 0.00 C ATOM 39 C SER A 5 -16.613 17.478 -8.352 1.00 0.00 C ATOM 40 O SER A 5 -15.567 17.186 -7.773 1.00 0.00 O ATOM 41 CB SER A 5 -18.176 15.593 -8.865 1.00 0.00 C ATOM 42 OG SER A 5 -19.258 16.268 -8.248 1.00 0.00 O ATOM 0 H SER A 5 -15.478 15.351 -9.525 1.00 0.00 H new ATOM 0 HA SER A 5 -17.681 17.216 -10.186 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.552 14.940 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.676 14.957 -8.135 1.00 0.00 H new ATOM 0 HG SER A 5 -19.886 15.612 -7.880 1.00 0.00 H new ATOM 48 N SER A 6 -17.318 18.568 -8.066 1.00 0.00 N ATOM 49 CA SER A 6 -16.891 19.506 -7.034 1.00 0.00 C ATOM 50 C SER A 6 -17.942 19.618 -5.934 1.00 0.00 C ATOM 51 O SER A 6 -19.063 19.134 -6.079 1.00 0.00 O ATOM 52 CB SER A 6 -16.627 20.883 -7.646 1.00 0.00 C ATOM 53 OG SER A 6 -15.544 20.837 -8.559 1.00 0.00 O ATOM 0 H SER A 6 -18.187 18.823 -8.534 1.00 0.00 H new ATOM 0 HA SER A 6 -15.968 19.129 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.523 21.235 -8.157 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.409 21.600 -6.855 1.00 0.00 H new ATOM 0 HG SER A 6 -15.397 21.729 -8.937 1.00 0.00 H new ATOM 59 N GLY A 7 -17.569 20.263 -4.832 1.00 0.00 N ATOM 60 CA GLY A 7 -18.490 20.428 -3.722 1.00 0.00 C ATOM 61 C GLY A 7 -18.616 19.172 -2.882 1.00 0.00 C ATOM 62 O GLY A 7 -17.699 18.819 -2.141 1.00 0.00 O ATOM 0 H GLY A 7 -16.646 20.674 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.151 21.250 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.472 20.704 -4.106 1.00 0.00 H new ATOM 66 N ILE A 8 -19.755 18.498 -2.997 1.00 0.00 N ATOM 67 CA ILE A 8 -19.998 17.276 -2.241 1.00 0.00 C ATOM 68 C ILE A 8 -19.770 16.040 -3.106 1.00 0.00 C ATOM 69 O ILE A 8 -20.036 16.054 -4.308 1.00 0.00 O ATOM 70 CB ILE A 8 -21.431 17.237 -1.679 1.00 0.00 C ATOM 71 CG1 ILE A 8 -21.624 16.000 -0.799 1.00 0.00 C ATOM 72 CG2 ILE A 8 -22.446 17.250 -2.813 1.00 0.00 C ATOM 73 CD1 ILE A 8 -20.985 16.124 0.566 1.00 0.00 C ATOM 0 H ILE A 8 -20.524 18.777 -3.606 1.00 0.00 H new ATOM 0 HA ILE A 8 -19.291 17.272 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 8 -21.589 18.124 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -22.691 15.814 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -21.206 15.132 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -23.454 17.222 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -22.321 18.158 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -22.291 16.379 -3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -21.162 15.211 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -19.912 16.279 0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -21.420 16.972 1.096 1.00 0.00 H new ATOM 85 N ASP A 9 -19.277 14.974 -2.486 1.00 0.00 N ATOM 86 CA ASP A 9 -19.015 13.729 -3.198 1.00 0.00 C ATOM 87 C ASP A 9 -20.165 12.743 -3.010 1.00 0.00 C ATOM 88 O ASP A 9 -21.001 12.910 -2.122 1.00 0.00 O ATOM 89 CB ASP A 9 -17.707 13.103 -2.712 1.00 0.00 C ATOM 90 CG ASP A 9 -17.907 12.206 -1.506 1.00 0.00 C ATOM 91 OD1 ASP A 9 -18.922 12.378 -0.800 1.00 0.00 O ATOM 92 OD2 ASP A 9 -17.048 11.331 -1.270 1.00 0.00 O ATOM 0 H ASP A 9 -19.051 14.947 -1.492 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.926 13.959 -4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.262 12.525 -3.521 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.001 13.894 -2.460 1.00 0.00 H new ATOM 97 N LYS A 10 -20.201 11.717 -3.853 1.00 0.00 N ATOM 98 CA LYS A 10 -21.247 10.704 -3.781 1.00 0.00 C ATOM 99 C LYS A 10 -20.645 9.306 -3.678 1.00 0.00 C ATOM 100 O LYS A 10 -19.549 9.052 -4.178 1.00 0.00 O ATOM 101 CB LYS A 10 -22.155 10.790 -5.010 1.00 0.00 C ATOM 102 CG LYS A 10 -23.317 11.754 -4.842 1.00 0.00 C ATOM 103 CD LYS A 10 -23.922 12.137 -6.182 1.00 0.00 C ATOM 104 CE LYS A 10 -25.278 12.805 -6.010 1.00 0.00 C ATOM 105 NZ LYS A 10 -26.303 11.855 -5.495 1.00 0.00 N ATOM 0 H LYS A 10 -19.517 11.565 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 10 -21.839 10.893 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -21.560 11.098 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -22.547 9.797 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -24.082 11.297 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -22.975 12.651 -4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -23.247 12.812 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -24.030 11.247 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -25.184 13.646 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -25.607 13.211 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -27.253 12.238 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -26.202 10.940 -5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -26.171 11.723 -4.472 1.00 0.00 H new ATOM 119 N LYS A 11 -21.369 8.402 -3.026 1.00 0.00 N ATOM 120 CA LYS A 11 -20.908 7.028 -2.860 1.00 0.00 C ATOM 121 C LYS A 11 -21.608 6.096 -3.844 1.00 0.00 C ATOM 122 O LYS A 11 -22.818 5.882 -3.758 1.00 0.00 O ATOM 123 CB LYS A 11 -21.159 6.555 -1.426 1.00 0.00 C ATOM 124 CG LYS A 11 -22.629 6.508 -1.049 1.00 0.00 C ATOM 125 CD LYS A 11 -22.829 6.708 0.444 1.00 0.00 C ATOM 126 CE LYS A 11 -22.898 8.184 0.804 1.00 0.00 C ATOM 127 NZ LYS A 11 -23.290 8.390 2.226 1.00 0.00 N ATOM 0 H LYS A 11 -22.277 8.596 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.837 7.003 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -20.728 5.562 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.637 7.219 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -23.171 7.280 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -23.052 5.549 -1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -23.747 6.212 0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -22.010 6.238 0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -21.928 8.648 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -23.616 8.683 0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.326 9.409 2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -24.227 7.970 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -22.591 7.935 2.848 1.00 0.00 H new ATOM 141 N LEU A 12 -20.840 5.543 -4.776 1.00 0.00 N ATOM 142 CA LEU A 12 -21.386 4.632 -5.776 1.00 0.00 C ATOM 143 C LEU A 12 -21.225 3.181 -5.336 1.00 0.00 C ATOM 144 O LEU A 12 -22.167 2.391 -5.405 1.00 0.00 O ATOM 145 CB LEU A 12 -20.695 4.848 -7.123 1.00 0.00 C ATOM 146 CG LEU A 12 -21.121 6.092 -7.904 1.00 0.00 C ATOM 147 CD1 LEU A 12 -20.305 7.300 -7.471 1.00 0.00 C ATOM 148 CD2 LEU A 12 -20.977 5.857 -9.401 1.00 0.00 C ATOM 0 H LEU A 12 -19.837 5.709 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 12 -22.450 4.844 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -19.620 4.901 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.876 3.972 -7.746 1.00 0.00 H new ATOM 0 HG LEU A 12 -22.170 6.292 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.622 8.175 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.459 7.481 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -19.248 7.111 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -21.285 6.752 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -19.937 5.631 -9.635 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.607 5.019 -9.700 1.00 0.00 H new ATOM 160 N THR A 13 -20.025 2.835 -4.880 1.00 0.00 N ATOM 161 CA THR A 13 -19.740 1.480 -4.427 1.00 0.00 C ATOM 162 C THR A 13 -19.812 0.488 -5.582 1.00 0.00 C ATOM 163 O THR A 13 -20.335 -0.617 -5.435 1.00 0.00 O ATOM 164 CB THR A 13 -20.721 1.038 -3.325 1.00 0.00 C ATOM 165 OG1 THR A 13 -20.810 2.049 -2.314 1.00 0.00 O ATOM 166 CG2 THR A 13 -20.275 -0.274 -2.698 1.00 0.00 C ATOM 0 H THR A 13 -19.234 3.476 -4.815 1.00 0.00 H new ATOM 0 HA THR A 13 -18.729 1.489 -4.021 1.00 0.00 H new ATOM 0 HB THR A 13 -21.701 0.891 -3.779 1.00 0.00 H new ATOM 0 HG1 THR A 13 -21.437 1.761 -1.618 1.00 0.00 H new ATOM 0 HG21 THR A 13 -20.983 -0.566 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 13 -20.236 -1.049 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 13 -19.286 -0.149 -2.257 1.00 0.00 H new ATOM 174 N THR A 14 -19.282 0.888 -6.734 1.00 0.00 N ATOM 175 CA THR A 14 -19.286 0.034 -7.915 1.00 0.00 C ATOM 176 C THR A 14 -18.189 0.442 -8.892 1.00 0.00 C ATOM 177 O THR A 14 -18.116 1.598 -9.312 1.00 0.00 O ATOM 178 CB THR A 14 -20.645 0.082 -8.638 1.00 0.00 C ATOM 179 OG1 THR A 14 -21.706 -0.132 -7.700 1.00 0.00 O ATOM 180 CG2 THR A 14 -20.712 -0.970 -9.735 1.00 0.00 C ATOM 0 H THR A 14 -18.844 1.799 -6.874 1.00 0.00 H new ATOM 0 HA THR A 14 -19.102 -0.983 -7.570 1.00 0.00 H new ATOM 0 HB THR A 14 -20.755 1.066 -9.093 1.00 0.00 H new ATOM 0 HG1 THR A 14 -21.375 -0.665 -6.947 1.00 0.00 H new ATOM 0 HG21 THR A 14 -21.681 -0.917 -10.231 1.00 0.00 H new ATOM 0 HG22 THR A 14 -19.921 -0.788 -10.463 1.00 0.00 H new ATOM 0 HG23 THR A 14 -20.582 -1.960 -9.298 1.00 0.00 H new ATOM 188 N LEU A 15 -17.339 -0.513 -9.252 1.00 0.00 N ATOM 189 CA LEU A 15 -16.245 -0.253 -10.182 1.00 0.00 C ATOM 190 C LEU A 15 -15.956 -1.481 -11.039 1.00 0.00 C ATOM 191 O LEU A 15 -15.668 -2.559 -10.520 1.00 0.00 O ATOM 192 CB LEU A 15 -14.986 0.157 -9.417 1.00 0.00 C ATOM 193 CG LEU A 15 -14.751 -0.550 -8.082 1.00 0.00 C ATOM 194 CD1 LEU A 15 -13.275 -0.526 -7.717 1.00 0.00 C ATOM 195 CD2 LEU A 15 -15.584 0.094 -6.983 1.00 0.00 C ATOM 0 H LEU A 15 -17.386 -1.474 -8.914 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.545 0.563 -10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -14.122 -0.022 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -15.030 1.231 -9.234 1.00 0.00 H new ATOM 0 HG LEU A 15 -15.062 -1.590 -8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.128 -1.034 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.700 -1.034 -8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.938 0.507 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.404 -0.422 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.304 1.143 -6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.641 0.023 -7.239 1.00 0.00 H new ATOM 207 N ALA A 16 -16.032 -1.309 -12.355 1.00 0.00 N ATOM 208 CA ALA A 16 -15.774 -2.402 -13.284 1.00 0.00 C ATOM 209 C ALA A 16 -14.650 -2.046 -14.252 1.00 0.00 C ATOM 210 O ALA A 16 -14.675 -0.991 -14.886 1.00 0.00 O ATOM 211 CB ALA A 16 -17.041 -2.754 -14.049 1.00 0.00 C ATOM 0 H ALA A 16 -16.270 -0.423 -12.801 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.459 -3.271 -12.706 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.834 -3.572 -14.739 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.817 -3.059 -13.347 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.381 -1.883 -14.610 1.00 0.00 H new ATOM 217 N ASP A 17 -13.666 -2.932 -14.360 1.00 0.00 N ATOM 218 CA ASP A 17 -12.533 -2.711 -15.252 1.00 0.00 C ATOM 219 C ASP A 17 -12.123 -4.008 -15.941 1.00 0.00 C ATOM 220 O ASP A 17 -11.464 -4.860 -15.342 1.00 0.00 O ATOM 221 CB ASP A 17 -11.349 -2.135 -14.473 1.00 0.00 C ATOM 222 CG ASP A 17 -11.111 -2.860 -13.163 1.00 0.00 C ATOM 223 OD1 ASP A 17 -11.900 -2.652 -12.219 1.00 0.00 O ATOM 224 OD2 ASP A 17 -10.133 -3.633 -13.082 1.00 0.00 O ATOM 0 H ASP A 17 -13.630 -3.810 -13.841 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.837 -1.996 -16.016 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.450 -2.195 -15.087 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.529 -1.079 -14.273 1.00 0.00 H new ATOM 229 N LEU A 18 -12.517 -4.154 -17.201 1.00 0.00 N ATOM 230 CA LEU A 18 -12.191 -5.348 -17.972 1.00 0.00 C ATOM 231 C LEU A 18 -11.232 -5.017 -19.110 1.00 0.00 C ATOM 232 O LEU A 18 -10.329 -5.794 -19.421 1.00 0.00 O ATOM 233 CB LEU A 18 -13.466 -5.982 -18.532 1.00 0.00 C ATOM 234 CG LEU A 18 -14.655 -6.057 -17.573 1.00 0.00 C ATOM 235 CD1 LEU A 18 -14.206 -6.538 -16.202 1.00 0.00 C ATOM 236 CD2 LEU A 18 -15.341 -4.702 -17.467 1.00 0.00 C ATOM 0 H LEU A 18 -13.063 -3.460 -17.711 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.702 -6.058 -17.305 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.771 -5.419 -19.414 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.229 -6.992 -18.865 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.372 -6.775 -17.970 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -15.066 -6.585 -15.533 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.762 -7.529 -16.292 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.469 -5.845 -15.797 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.185 -4.774 -16.781 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.632 -3.963 -17.094 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.699 -4.397 -18.451 1.00 0.00 H new ATOM 248 N PHE A 19 -11.432 -3.857 -19.727 1.00 0.00 N ATOM 249 CA PHE A 19 -10.584 -3.422 -20.831 1.00 0.00 C ATOM 250 C PHE A 19 -9.127 -3.320 -20.389 1.00 0.00 C ATOM 251 O PHE A 19 -8.223 -3.784 -21.084 1.00 0.00 O ATOM 252 CB PHE A 19 -11.062 -2.071 -21.367 1.00 0.00 C ATOM 253 CG PHE A 19 -12.516 -2.055 -21.742 1.00 0.00 C ATOM 254 CD1 PHE A 19 -13.492 -1.866 -20.777 1.00 0.00 C ATOM 255 CD2 PHE A 19 -12.907 -2.229 -23.060 1.00 0.00 C ATOM 256 CE1 PHE A 19 -14.831 -1.853 -21.120 1.00 0.00 C ATOM 257 CE2 PHE A 19 -14.245 -2.216 -23.409 1.00 0.00 C ATOM 258 CZ PHE A 19 -15.208 -2.026 -22.437 1.00 0.00 C ATOM 0 H PHE A 19 -12.174 -3.201 -19.481 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.654 -4.165 -21.625 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.881 -1.305 -20.613 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.467 -1.805 -22.240 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.203 -1.727 -19.746 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.158 -2.377 -23.824 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.582 -1.708 -20.358 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -14.537 -2.354 -24.440 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.254 -2.013 -22.707 1.00 0.00 H new ATOM 268 N ARG A 20 -8.907 -2.708 -19.230 1.00 0.00 N ATOM 269 CA ARG A 20 -7.561 -2.543 -18.696 1.00 0.00 C ATOM 270 C ARG A 20 -7.153 -3.756 -17.866 1.00 0.00 C ATOM 271 O ARG A 20 -7.987 -4.454 -17.290 1.00 0.00 O ATOM 272 CB ARG A 20 -7.480 -1.276 -17.842 1.00 0.00 C ATOM 273 CG ARG A 20 -7.479 0.008 -18.655 1.00 0.00 C ATOM 274 CD ARG A 20 -6.099 0.309 -19.219 1.00 0.00 C ATOM 275 NE ARG A 20 -5.913 -0.268 -20.549 1.00 0.00 N ATOM 276 CZ ARG A 20 -5.114 0.256 -21.471 1.00 0.00 C ATOM 277 NH1 ARG A 20 -4.430 1.361 -21.211 1.00 0.00 N ATOM 278 NH2 ARG A 20 -4.998 -0.327 -22.658 1.00 0.00 N ATOM 0 H ARG A 20 -9.644 -2.318 -18.643 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.873 -2.451 -19.536 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.324 -1.259 -17.152 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.574 -1.313 -17.237 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.196 -0.076 -19.471 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.806 0.837 -18.028 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.955 1.388 -19.269 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.338 -0.083 -18.544 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.425 -1.119 -20.781 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.516 1.812 -20.300 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.817 1.761 -21.922 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.523 -1.178 -22.862 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.384 0.076 -23.366 1.00 0.00 H new ATOM 292 N PRO A 21 -5.838 -4.014 -17.802 1.00 0.00 N ATOM 293 CA PRO A 21 -5.289 -5.143 -17.045 1.00 0.00 C ATOM 294 C PRO A 21 -5.424 -4.951 -15.538 1.00 0.00 C ATOM 295 O PRO A 21 -5.740 -3.865 -15.052 1.00 0.00 O ATOM 296 CB PRO A 21 -3.814 -5.159 -17.451 1.00 0.00 C ATOM 297 CG PRO A 21 -3.517 -3.757 -17.857 1.00 0.00 C ATOM 298 CD PRO A 21 -4.786 -3.224 -18.463 1.00 0.00 C ATOM 0 HA PRO A 21 -5.815 -6.073 -17.262 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.179 -5.474 -16.623 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.637 -5.855 -18.271 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.213 -3.158 -16.998 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.698 -3.724 -18.575 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.905 -2.157 -18.273 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.802 -3.359 -19.545 1.00 0.00 H new ATOM 306 N PRO A 22 -5.180 -6.030 -14.779 1.00 0.00 N ATOM 307 CA PRO A 22 -5.268 -6.005 -13.316 1.00 0.00 C ATOM 308 C PRO A 22 -4.149 -5.184 -12.682 1.00 0.00 C ATOM 309 O PRO A 22 -2.996 -5.615 -12.644 1.00 0.00 O ATOM 310 CB PRO A 22 -5.135 -7.479 -12.927 1.00 0.00 C ATOM 311 CG PRO A 22 -4.383 -8.102 -14.052 1.00 0.00 C ATOM 312 CD PRO A 22 -4.799 -7.357 -15.290 1.00 0.00 C ATOM 0 HA PRO A 22 -6.192 -5.541 -12.971 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.601 -7.593 -11.983 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.112 -7.944 -12.799 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.307 -8.025 -13.893 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.617 -9.163 -14.138 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.985 -7.291 -16.012 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.632 -7.848 -15.793 1.00 0.00 H new ATOM 320 N ILE A 23 -4.497 -4.002 -12.187 1.00 0.00 N ATOM 321 CA ILE A 23 -3.522 -3.122 -11.554 1.00 0.00 C ATOM 322 C ILE A 23 -3.858 -2.897 -10.084 1.00 0.00 C ATOM 323 O ILE A 23 -3.274 -2.034 -9.428 1.00 0.00 O ATOM 324 CB ILE A 23 -3.446 -1.759 -12.266 1.00 0.00 C ATOM 325 CG1 ILE A 23 -4.788 -1.030 -12.163 1.00 0.00 C ATOM 326 CG2 ILE A 23 -3.049 -1.944 -13.723 1.00 0.00 C ATOM 327 CD1 ILE A 23 -4.679 0.465 -12.361 1.00 0.00 C ATOM 0 H ILE A 23 -5.447 -3.631 -12.212 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.554 -3.617 -11.632 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.685 -1.152 -11.776 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.472 -1.438 -12.907 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.226 -1.228 -11.185 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.000 -0.972 -14.213 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.073 -2.427 -13.776 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.789 -2.566 -14.226 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.667 0.916 -12.275 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.020 0.886 -11.601 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.271 0.672 -13.350 1.00 0.00 H new ATOM 339 N ASP A 24 -4.801 -3.680 -9.571 1.00 0.00 N ATOM 340 CA ASP A 24 -5.213 -3.568 -8.177 1.00 0.00 C ATOM 341 C ASP A 24 -4.005 -3.362 -7.268 1.00 0.00 C ATOM 342 O ASP A 24 -3.988 -2.454 -6.436 1.00 0.00 O ATOM 343 CB ASP A 24 -5.982 -4.819 -7.749 1.00 0.00 C ATOM 344 CG ASP A 24 -7.260 -5.012 -8.541 1.00 0.00 C ATOM 345 OD1 ASP A 24 -7.171 -5.213 -9.770 1.00 0.00 O ATOM 346 OD2 ASP A 24 -8.350 -4.962 -7.932 1.00 0.00 O ATOM 0 H ASP A 24 -5.294 -4.399 -10.100 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.866 -2.700 -8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.345 -5.694 -7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.222 -4.749 -6.688 1.00 0.00 H new ATOM 351 N LEU A 25 -2.997 -4.212 -7.431 1.00 0.00 N ATOM 352 CA LEU A 25 -1.785 -4.125 -6.624 1.00 0.00 C ATOM 353 C LEU A 25 -0.885 -2.995 -7.115 1.00 0.00 C ATOM 354 O LEU A 25 -0.482 -2.128 -6.340 1.00 0.00 O ATOM 355 CB LEU A 25 -1.025 -5.452 -6.664 1.00 0.00 C ATOM 356 CG LEU A 25 0.444 -5.397 -6.243 1.00 0.00 C ATOM 357 CD1 LEU A 25 0.566 -4.979 -4.786 1.00 0.00 C ATOM 358 CD2 LEU A 25 1.114 -6.744 -6.471 1.00 0.00 C ATOM 0 H LEU A 25 -2.995 -4.969 -8.115 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.077 -3.912 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.541 -6.163 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.077 -5.847 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 25 0.951 -4.653 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.618 -4.945 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.123 -3.992 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.044 -5.699 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.159 -6.687 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.605 -7.508 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.058 -7.004 -7.528 1.00 0.00 H new ATOM 370 N MET A 26 -0.575 -3.011 -8.407 1.00 0.00 N ATOM 371 CA MET A 26 0.274 -1.986 -9.002 1.00 0.00 C ATOM 372 C MET A 26 -0.397 -0.618 -8.935 1.00 0.00 C ATOM 373 O MET A 26 -1.405 -0.377 -9.599 1.00 0.00 O ATOM 374 CB MET A 26 0.595 -2.339 -10.455 1.00 0.00 C ATOM 375 CG MET A 26 1.243 -3.704 -10.620 1.00 0.00 C ATOM 376 SD MET A 26 1.689 -4.059 -12.331 1.00 0.00 S ATOM 377 CE MET A 26 0.080 -4.422 -13.031 1.00 0.00 C ATOM 0 H MET A 26 -0.899 -3.723 -9.062 1.00 0.00 H new ATOM 0 HA MET A 26 1.203 -1.944 -8.433 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.325 -2.310 -11.039 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.259 -1.579 -10.867 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.136 -3.755 -9.998 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.559 -4.473 -10.260 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.139 -5.335 -13.624 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.644 -4.557 -12.228 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.235 -3.595 -13.668 1.00 0.00 H new ATOM 387 N HIS A 27 0.169 0.275 -8.129 1.00 0.00 N ATOM 388 CA HIS A 27 -0.375 1.620 -7.976 1.00 0.00 C ATOM 389 C HIS A 27 0.744 2.657 -7.931 1.00 0.00 C ATOM 390 O HIS A 27 1.561 2.664 -7.010 1.00 0.00 O ATOM 391 CB HIS A 27 -1.220 1.709 -6.705 1.00 0.00 C ATOM 392 CG HIS A 27 -2.011 2.977 -6.600 1.00 0.00 C ATOM 393 ND1 HIS A 27 -1.726 4.235 -7.010 1.00 0.00 N flip ATOM 394 CD2 HIS A 27 -3.257 3.040 -6.012 1.00 0.00 C flip ATOM 395 CE1 HIS A 27 -2.795 5.027 -6.667 1.00 0.00 C flip ATOM 396 NE2 HIS A 27 -3.705 4.281 -6.067 1.00 0.00 N flip ATOM 0 H HIS A 27 1.004 0.092 -7.572 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.007 1.830 -8.839 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.903 0.860 -6.672 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.566 1.625 -5.837 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.784 2.205 -5.575 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.878 6.087 -6.857 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.602 4.608 -5.707 1.00 0.00 H new ATOM 405 N LYS A 28 0.774 3.531 -8.931 1.00 0.00 N ATOM 406 CA LYS A 28 1.792 4.573 -9.007 1.00 0.00 C ATOM 407 C LYS A 28 1.227 5.839 -9.642 1.00 0.00 C ATOM 408 O LYS A 28 0.385 5.775 -10.537 1.00 0.00 O ATOM 409 CB LYS A 28 2.997 4.080 -9.811 1.00 0.00 C ATOM 410 CG LYS A 28 4.299 4.767 -9.438 1.00 0.00 C ATOM 411 CD LYS A 28 4.537 6.008 -10.281 1.00 0.00 C ATOM 412 CE LYS A 28 5.828 6.710 -9.889 1.00 0.00 C ATOM 413 NZ LYS A 28 6.164 7.818 -10.825 1.00 0.00 N ATOM 0 H LYS A 28 0.105 3.539 -9.701 1.00 0.00 H new ATOM 0 HA LYS A 28 2.112 4.808 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.107 3.006 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.804 4.237 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.277 5.041 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.129 4.072 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.578 5.731 -11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.699 6.695 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.734 7.105 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.644 5.987 -9.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.050 8.271 -10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.279 7.438 -11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.397 8.521 -10.821 1.00 0.00 H new ATOM 427 N GLY A 29 1.697 6.991 -9.172 1.00 0.00 N ATOM 428 CA GLY A 29 1.228 8.256 -9.707 1.00 0.00 C ATOM 429 C GLY A 29 1.619 9.434 -8.837 1.00 0.00 C ATOM 430 O GLY A 29 2.769 9.875 -8.857 1.00 0.00 O ATOM 0 H GLY A 29 2.393 7.071 -8.431 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.635 8.397 -10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.143 8.225 -9.806 1.00 0.00 H new ATOM 434 N SER A 30 0.661 9.947 -8.072 1.00 0.00 N ATOM 435 CA SER A 30 0.910 11.085 -7.194 1.00 0.00 C ATOM 436 C SER A 30 0.817 10.672 -5.729 1.00 0.00 C ATOM 437 O SER A 30 -0.109 9.965 -5.329 1.00 0.00 O ATOM 438 CB SER A 30 -0.088 12.208 -7.484 1.00 0.00 C ATOM 439 OG SER A 30 0.223 12.865 -8.701 1.00 0.00 O ATOM 0 H SER A 30 -0.295 9.593 -8.042 1.00 0.00 H new ATOM 0 HA SER A 30 1.920 11.447 -7.387 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.097 11.798 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.078 12.928 -6.666 1.00 0.00 H new ATOM 0 HG SER A 30 -0.430 13.577 -8.865 1.00 0.00 H new ATOM 445 N PHE A 31 1.782 11.118 -4.932 1.00 0.00 N ATOM 446 CA PHE A 31 1.810 10.794 -3.510 1.00 0.00 C ATOM 447 C PHE A 31 0.504 11.201 -2.834 1.00 0.00 C ATOM 448 O PHE A 31 -0.047 10.453 -2.027 1.00 0.00 O ATOM 449 CB PHE A 31 2.989 11.494 -2.830 1.00 0.00 C ATOM 450 CG PHE A 31 3.051 12.969 -3.105 1.00 0.00 C ATOM 451 CD1 PHE A 31 3.626 13.445 -4.273 1.00 0.00 C ATOM 452 CD2 PHE A 31 2.534 13.879 -2.198 1.00 0.00 C ATOM 453 CE1 PHE A 31 3.686 14.802 -4.528 1.00 0.00 C ATOM 454 CE2 PHE A 31 2.590 15.237 -2.448 1.00 0.00 C ATOM 455 CZ PHE A 31 3.166 15.699 -3.615 1.00 0.00 C ATOM 0 H PHE A 31 2.555 11.705 -5.246 1.00 0.00 H new ATOM 0 HA PHE A 31 1.929 9.715 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.923 11.336 -1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.918 11.031 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.031 12.748 -4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.082 13.523 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.139 15.161 -5.440 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.184 15.936 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.210 16.760 -3.814 1.00 0.00 H new ATOM 465 N GLU A 32 0.017 12.391 -3.169 1.00 0.00 N ATOM 466 CA GLU A 32 -1.224 12.897 -2.593 1.00 0.00 C ATOM 467 C GLU A 32 -2.364 11.903 -2.797 1.00 0.00 C ATOM 468 O GLU A 32 -3.183 11.688 -1.902 1.00 0.00 O ATOM 469 CB GLU A 32 -1.590 14.245 -3.218 1.00 0.00 C ATOM 470 CG GLU A 32 -0.575 15.341 -2.938 1.00 0.00 C ATOM 471 CD GLU A 32 -0.501 15.706 -1.468 1.00 0.00 C ATOM 472 OE1 GLU A 32 -1.253 16.607 -1.041 1.00 0.00 O ATOM 473 OE2 GLU A 32 0.309 15.089 -0.744 1.00 0.00 O ATOM 0 H GLU A 32 0.462 13.022 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.069 13.031 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.690 14.121 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.564 14.558 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.408 15.016 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.835 16.228 -3.516 1.00 0.00 H new ATOM 480 N THR A 33 -2.411 11.300 -3.980 1.00 0.00 N ATOM 481 CA THR A 33 -3.450 10.331 -4.303 1.00 0.00 C ATOM 482 C THR A 33 -3.389 9.127 -3.370 1.00 0.00 C ATOM 483 O THR A 33 -4.414 8.662 -2.873 1.00 0.00 O ATOM 484 CB THR A 33 -3.330 9.843 -5.760 1.00 0.00 C ATOM 485 OG1 THR A 33 -3.286 10.964 -6.650 1.00 0.00 O ATOM 486 CG2 THR A 33 -4.501 8.944 -6.127 1.00 0.00 C ATOM 0 H THR A 33 -1.741 11.466 -4.731 1.00 0.00 H new ATOM 0 HA THR A 33 -4.406 10.839 -4.175 1.00 0.00 H new ATOM 0 HB THR A 33 -2.408 9.269 -5.853 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.208 10.646 -7.574 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.395 8.612 -7.160 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.515 8.077 -5.466 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.433 9.498 -6.018 1.00 0.00 H new ATOM 494 N ALA A 34 -2.180 8.628 -3.135 1.00 0.00 N ATOM 495 CA ALA A 34 -1.985 7.479 -2.258 1.00 0.00 C ATOM 496 C ALA A 34 -2.880 7.571 -1.027 1.00 0.00 C ATOM 497 O ALA A 34 -3.596 6.625 -0.696 1.00 0.00 O ATOM 498 CB ALA A 34 -0.525 7.373 -1.845 1.00 0.00 C ATOM 0 H ALA A 34 -1.321 9.001 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.261 6.580 -2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.394 6.511 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.096 7.253 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.230 8.279 -1.316 1.00 0.00 H new ATOM 504 N LYS A 35 -2.835 8.714 -0.352 1.00 0.00 N ATOM 505 CA LYS A 35 -3.642 8.930 0.843 1.00 0.00 C ATOM 506 C LYS A 35 -5.116 9.090 0.483 1.00 0.00 C ATOM 507 O LYS A 35 -5.990 8.534 1.147 1.00 0.00 O ATOM 508 CB LYS A 35 -3.153 10.169 1.597 1.00 0.00 C ATOM 509 CG LYS A 35 -1.851 9.950 2.347 1.00 0.00 C ATOM 510 CD LYS A 35 -1.286 11.257 2.877 1.00 0.00 C ATOM 511 CE LYS A 35 -0.816 12.160 1.747 1.00 0.00 C ATOM 512 NZ LYS A 35 -1.901 13.060 1.268 1.00 0.00 N ATOM 0 H LYS A 35 -2.248 9.506 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.536 8.056 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.021 10.987 0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.922 10.481 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.019 9.262 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.124 9.480 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.047 11.772 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.453 11.049 3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.028 12.759 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.459 11.549 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.177 12.788 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.723 12.979 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.561 14.043 1.267 1.00 0.00 H new ATOM 526 N GLU A 36 -5.383 9.852 -0.574 1.00 0.00 N ATOM 527 CA GLU A 36 -6.751 10.083 -1.021 1.00 0.00 C ATOM 528 C GLU A 36 -7.502 8.764 -1.180 1.00 0.00 C ATOM 529 O GLU A 36 -8.542 8.550 -0.555 1.00 0.00 O ATOM 530 CB GLU A 36 -6.755 10.848 -2.347 1.00 0.00 C ATOM 531 CG GLU A 36 -6.437 12.326 -2.197 1.00 0.00 C ATOM 532 CD GLU A 36 -6.676 13.106 -3.475 1.00 0.00 C ATOM 533 OE1 GLU A 36 -6.609 12.498 -4.564 1.00 0.00 O ATOM 534 OE2 GLU A 36 -6.931 14.326 -3.386 1.00 0.00 O ATOM 0 H GLU A 36 -4.671 10.319 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.258 10.680 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.028 10.395 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.733 10.741 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.049 12.746 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.396 12.441 -1.895 1.00 0.00 H new ATOM 541 N CYS A 37 -6.969 7.884 -2.021 1.00 0.00 N ATOM 542 CA CYS A 37 -7.588 6.586 -2.264 1.00 0.00 C ATOM 543 C CYS A 37 -7.869 5.863 -0.951 1.00 0.00 C ATOM 544 O CYS A 37 -9.008 5.504 -0.659 1.00 0.00 O ATOM 545 CB CYS A 37 -6.688 5.726 -3.152 1.00 0.00 C ATOM 546 SG CYS A 37 -6.728 6.178 -4.902 1.00 0.00 S ATOM 0 H CYS A 37 -6.110 8.046 -2.546 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.536 6.754 -2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.662 5.801 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.986 4.682 -3.050 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.716 5.100 -5.629 1.00 0.00 H new ATOM 552 N GLY A 38 -6.819 5.652 -0.162 1.00 0.00 N ATOM 553 CA GLY A 38 -6.973 4.970 1.110 1.00 0.00 C ATOM 554 C GLY A 38 -8.284 5.307 1.793 1.00 0.00 C ATOM 555 O GLY A 38 -8.896 4.450 2.431 1.00 0.00 O ATOM 0 H GLY A 38 -5.866 5.941 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.916 3.893 0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.145 5.239 1.766 1.00 0.00 H new ATOM 559 N GLN A 39 -8.714 6.557 1.662 1.00 0.00 N ATOM 560 CA GLN A 39 -9.960 7.004 2.274 1.00 0.00 C ATOM 561 C GLN A 39 -11.162 6.340 1.610 1.00 0.00 C ATOM 562 O GLN A 39 -11.887 5.572 2.242 1.00 0.00 O ATOM 563 CB GLN A 39 -10.084 8.525 2.175 1.00 0.00 C ATOM 564 CG GLN A 39 -9.110 9.275 3.070 1.00 0.00 C ATOM 565 CD GLN A 39 -9.245 10.780 2.948 1.00 0.00 C ATOM 566 OE1 GLN A 39 -10.354 11.313 2.901 1.00 0.00 O ATOM 567 NE2 GLN A 39 -8.114 11.474 2.897 1.00 0.00 N ATOM 0 H GLN A 39 -8.219 7.278 1.138 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.943 6.715 3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.921 8.828 1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.102 8.816 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.276 8.982 4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.091 8.984 2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.217 10.991 2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.143 12.490 2.816 1.00 0.00 H new ATOM 576 N MET A 40 -11.367 6.641 0.332 1.00 0.00 N ATOM 577 CA MET A 40 -12.481 6.072 -0.418 1.00 0.00 C ATOM 578 C MET A 40 -12.442 4.548 -0.376 1.00 0.00 C ATOM 579 O MET A 40 -13.444 3.901 -0.072 1.00 0.00 O ATOM 580 CB MET A 40 -12.447 6.555 -1.869 1.00 0.00 C ATOM 581 CG MET A 40 -12.917 7.990 -2.043 1.00 0.00 C ATOM 582 SD MET A 40 -14.707 8.156 -1.916 1.00 0.00 S ATOM 583 CE MET A 40 -14.871 8.803 -0.254 1.00 0.00 C ATOM 0 H MET A 40 -10.777 7.275 -0.206 1.00 0.00 H new ATOM 0 HA MET A 40 -13.408 6.407 0.047 1.00 0.00 H new ATOM 0 HB2 MET A 40 -11.429 6.466 -2.249 1.00 0.00 H new ATOM 0 HB3 MET A 40 -13.072 5.900 -2.476 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.444 8.617 -1.288 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.590 8.360 -3.015 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.747 9.449 -0.200 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.985 7.977 0.448 1.00 0.00 H new ATOM 0 HE3 MET A 40 -13.981 9.377 0.002 1.00 0.00 H new ATOM 593 N GLN A 41 -11.280 3.981 -0.683 1.00 0.00 N ATOM 594 CA GLN A 41 -11.112 2.533 -0.681 1.00 0.00 C ATOM 595 C GLN A 41 -11.217 1.974 0.734 1.00 0.00 C ATOM 596 O GLN A 41 -11.507 0.794 0.926 1.00 0.00 O ATOM 597 CB GLN A 41 -9.763 2.153 -1.293 1.00 0.00 C ATOM 598 CG GLN A 41 -9.629 2.539 -2.757 1.00 0.00 C ATOM 599 CD GLN A 41 -8.605 1.696 -3.491 1.00 0.00 C ATOM 600 OE1 GLN A 41 -8.001 0.791 -2.915 1.00 0.00 O ATOM 601 NE2 GLN A 41 -8.404 1.989 -4.771 1.00 0.00 N ATOM 0 H GLN A 41 -10.441 4.503 -0.936 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.911 2.100 -1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.967 2.634 -0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.619 1.077 -1.195 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.597 2.435 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.347 3.590 -2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.927 2.748 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.727 1.455 -5.316 1.00 0.00 H new ATOM 610 N ASN A 42 -10.979 2.831 1.722 1.00 0.00 N ATOM 611 CA ASN A 42 -11.046 2.423 3.121 1.00 0.00 C ATOM 612 C ASN A 42 -10.002 1.353 3.426 1.00 0.00 C ATOM 613 O ASN A 42 -10.306 0.330 4.040 1.00 0.00 O ATOM 614 CB ASN A 42 -12.444 1.897 3.454 1.00 0.00 C ATOM 615 CG ASN A 42 -13.433 3.015 3.723 1.00 0.00 C ATOM 616 OD1 ASN A 42 -13.770 3.214 4.992 1.00 0.00 O flip ATOM 617 ND2 ASN A 42 -13.889 3.691 2.801 1.00 0.00 N flip ATOM 0 H ASN A 42 -10.738 3.812 1.580 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.837 3.296 3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.806 1.286 2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.387 1.248 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.602 3.503 1.840 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.554 4.439 2.998 1.00 0.00 H new ATOM 624 N LYS A 43 -8.770 1.596 2.993 1.00 0.00 N ATOM 625 CA LYS A 43 -7.679 0.656 3.220 1.00 0.00 C ATOM 626 C LYS A 43 -6.480 1.356 3.852 1.00 0.00 C ATOM 627 O LYS A 43 -6.452 2.582 3.961 1.00 0.00 O ATOM 628 CB LYS A 43 -7.262 -0.002 1.902 1.00 0.00 C ATOM 629 CG LYS A 43 -8.384 -0.770 1.225 1.00 0.00 C ATOM 630 CD LYS A 43 -8.055 -1.072 -0.227 1.00 0.00 C ATOM 631 CE LYS A 43 -9.271 -1.595 -0.977 1.00 0.00 C ATOM 632 NZ LYS A 43 -9.730 -2.907 -0.443 1.00 0.00 N ATOM 0 H LYS A 43 -8.502 2.437 2.482 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.033 -0.113 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.897 0.767 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.431 -0.681 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.563 -1.703 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.306 -0.191 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.687 -0.169 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.253 -1.808 -0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.082 -0.870 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.029 -1.698 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.528 -3.254 -1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.949 -3.592 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.034 -2.793 0.545 1.00 0.00 H new ATOM 646 N TRP A 44 -5.492 0.570 4.265 1.00 0.00 N ATOM 647 CA TRP A 44 -4.290 1.116 4.884 1.00 0.00 C ATOM 648 C TRP A 44 -3.275 1.535 3.827 1.00 0.00 C ATOM 649 O TRP A 44 -3.246 0.983 2.726 1.00 0.00 O ATOM 650 CB TRP A 44 -3.666 0.087 5.829 1.00 0.00 C ATOM 651 CG TRP A 44 -4.467 -0.138 7.075 1.00 0.00 C ATOM 652 CD1 TRP A 44 -5.070 -1.300 7.464 1.00 0.00 C ATOM 653 CD2 TRP A 44 -4.752 0.825 8.096 1.00 0.00 C ATOM 654 NE1 TRP A 44 -5.714 -1.117 8.664 1.00 0.00 N ATOM 655 CE2 TRP A 44 -5.533 0.178 9.073 1.00 0.00 C ATOM 656 CE3 TRP A 44 -4.423 2.171 8.280 1.00 0.00 C ATOM 657 CZ2 TRP A 44 -5.989 0.832 10.215 1.00 0.00 C ATOM 658 CZ3 TRP A 44 -4.876 2.819 9.413 1.00 0.00 C ATOM 659 CH2 TRP A 44 -5.652 2.149 10.369 1.00 0.00 C ATOM 0 H TRP A 44 -5.500 -0.447 4.182 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.575 1.999 5.456 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.555 -0.860 5.301 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.664 0.418 6.104 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.044 -2.227 6.910 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.241 -1.830 9.168 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.825 2.695 7.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.587 0.318 10.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.628 3.859 9.565 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.991 2.683 11.245 1.00 0.00 H new ATOM 670 N LEU A 45 -2.443 2.514 4.167 1.00 0.00 N ATOM 671 CA LEU A 45 -1.425 3.007 3.246 1.00 0.00 C ATOM 672 C LEU A 45 -0.051 2.453 3.606 1.00 0.00 C ATOM 673 O LEU A 45 0.378 2.528 4.757 1.00 0.00 O ATOM 674 CB LEU A 45 -1.392 4.536 3.263 1.00 0.00 C ATOM 675 CG LEU A 45 -0.406 5.197 2.298 1.00 0.00 C ATOM 676 CD1 LEU A 45 -0.738 4.828 0.861 1.00 0.00 C ATOM 677 CD2 LEU A 45 -0.415 6.708 2.479 1.00 0.00 C ATOM 0 H LEU A 45 -2.454 2.982 5.073 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.682 2.666 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.393 4.904 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.154 4.863 4.275 1.00 0.00 H new ATOM 0 HG LEU A 45 0.595 4.830 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.026 5.307 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.680 3.746 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.747 5.166 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.292 7.162 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.416 7.092 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.128 6.954 3.501 1.00 0.00 H new ATOM 689 N MET A 46 0.637 1.899 2.613 1.00 0.00 N ATOM 690 CA MET A 46 1.965 1.335 2.824 1.00 0.00 C ATOM 691 C MET A 46 3.014 2.099 2.022 1.00 0.00 C ATOM 692 O MET A 46 3.079 1.981 0.798 1.00 0.00 O ATOM 693 CB MET A 46 1.983 -0.144 2.432 1.00 0.00 C ATOM 694 CG MET A 46 3.049 -0.951 3.155 1.00 0.00 C ATOM 695 SD MET A 46 2.762 -2.728 3.054 1.00 0.00 S ATOM 696 CE MET A 46 2.460 -3.121 4.776 1.00 0.00 C ATOM 0 H MET A 46 0.297 1.829 1.654 1.00 0.00 H new ATOM 0 HA MET A 46 2.207 1.425 3.883 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.006 -0.579 2.641 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.144 -0.225 1.357 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.025 -0.720 2.729 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.079 -0.651 4.202 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.899 -4.053 4.844 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.411 -3.232 5.296 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.886 -2.318 5.237 1.00 0.00 H new ATOM 706 N ILE A 47 3.832 2.880 2.719 1.00 0.00 N ATOM 707 CA ILE A 47 4.878 3.662 2.071 1.00 0.00 C ATOM 708 C ILE A 47 6.168 2.858 1.948 1.00 0.00 C ATOM 709 O ILE A 47 6.596 2.203 2.897 1.00 0.00 O ATOM 710 CB ILE A 47 5.168 4.963 2.843 1.00 0.00 C ATOM 711 CG1 ILE A 47 3.890 5.792 2.988 1.00 0.00 C ATOM 712 CG2 ILE A 47 6.250 5.767 2.137 1.00 0.00 C ATOM 713 CD1 ILE A 47 3.346 6.298 1.670 1.00 0.00 C ATOM 0 H ILE A 47 3.791 2.988 3.732 1.00 0.00 H new ATOM 0 HA ILE A 47 4.513 3.914 1.075 1.00 0.00 H new ATOM 0 HB ILE A 47 5.526 4.705 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.128 5.187 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.090 6.642 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.444 6.684 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.164 5.176 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.918 6.018 1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.440 6.877 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.091 6.930 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.114 5.452 1.023 1.00 0.00 H new ATOM 725 N ASN A 48 6.784 2.916 0.772 1.00 0.00 N ATOM 726 CA ASN A 48 8.027 2.195 0.524 1.00 0.00 C ATOM 727 C ASN A 48 8.978 3.027 -0.331 1.00 0.00 C ATOM 728 O ASN A 48 8.646 3.409 -1.454 1.00 0.00 O ATOM 729 CB ASN A 48 7.738 0.860 -0.166 1.00 0.00 C ATOM 730 CG ASN A 48 6.804 -0.019 0.644 1.00 0.00 C ATOM 731 OD1 ASN A 48 7.169 -0.276 1.894 1.00 0.00 O flip ATOM 732 ND2 ASN A 48 5.766 -0.461 0.150 1.00 0.00 N flip ATOM 0 H ASN A 48 6.443 3.455 -0.024 1.00 0.00 H new ATOM 0 HA ASN A 48 8.504 2.004 1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.298 1.048 -1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.676 0.331 -0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.525 -0.237 -0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.147 -1.051 0.707 1.00 0.00 H new ATOM 739 N ILE A 49 10.161 3.303 0.207 1.00 0.00 N ATOM 740 CA ILE A 49 11.160 4.087 -0.508 1.00 0.00 C ATOM 741 C ILE A 49 12.351 3.225 -0.912 1.00 0.00 C ATOM 742 O ILE A 49 12.850 2.428 -0.118 1.00 0.00 O ATOM 743 CB ILE A 49 11.663 5.269 0.344 1.00 0.00 C ATOM 744 CG1 ILE A 49 10.485 6.127 0.809 1.00 0.00 C ATOM 745 CG2 ILE A 49 12.656 6.106 -0.447 1.00 0.00 C ATOM 746 CD1 ILE A 49 9.777 6.845 -0.319 1.00 0.00 C ATOM 0 H ILE A 49 10.451 2.995 1.135 1.00 0.00 H new ATOM 0 HA ILE A 49 10.674 4.474 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 49 12.171 4.875 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.769 5.493 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 49 10.844 6.863 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 49 13.002 6.937 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 49 13.506 5.487 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.172 6.495 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.953 7.434 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.480 7.505 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.387 6.114 -1.028 1.00 0.00 H new ATOM 758 N GLN A 50 12.801 3.391 -2.152 1.00 0.00 N ATOM 759 CA GLN A 50 13.934 2.627 -2.661 1.00 0.00 C ATOM 760 C GLN A 50 15.120 3.541 -2.950 1.00 0.00 C ATOM 761 O GLN A 50 14.951 4.663 -3.424 1.00 0.00 O ATOM 762 CB GLN A 50 13.537 1.871 -3.930 1.00 0.00 C ATOM 763 CG GLN A 50 12.834 2.739 -4.961 1.00 0.00 C ATOM 764 CD GLN A 50 11.340 2.836 -4.720 1.00 0.00 C ATOM 765 OE1 GLN A 50 10.838 2.407 -3.681 1.00 0.00 O ATOM 766 NE2 GLN A 50 10.621 3.403 -5.682 1.00 0.00 N ATOM 0 H GLN A 50 12.399 4.047 -2.822 1.00 0.00 H new ATOM 0 HA GLN A 50 14.229 1.909 -1.896 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.431 1.439 -4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.884 1.042 -3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.267 3.739 -4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 50 13.012 2.331 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.079 3.745 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.611 3.497 -5.576 1.00 0.00 H new ATOM 775 N ASN A 51 16.322 3.052 -2.659 1.00 0.00 N ATOM 776 CA ASN A 51 17.537 3.826 -2.887 1.00 0.00 C ATOM 777 C ASN A 51 18.209 3.412 -4.192 1.00 0.00 C ATOM 778 O ASN A 51 18.225 2.234 -4.548 1.00 0.00 O ATOM 779 CB ASN A 51 18.509 3.643 -1.719 1.00 0.00 C ATOM 780 CG ASN A 51 18.814 2.183 -1.445 1.00 0.00 C ATOM 781 OD1 ASN A 51 17.979 1.309 -1.678 1.00 0.00 O ATOM 782 ND2 ASN A 51 20.015 1.913 -0.946 1.00 0.00 N ATOM 0 H ASN A 51 16.480 2.124 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 51 17.260 4.878 -2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 51 19.438 4.171 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 51 18.086 4.098 -0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 51 20.277 0.949 -0.740 1.00 0.00 H new ATOM 0 HD22 ASN A 51 20.676 2.670 -0.769 1.00 0.00 H new ATOM 789 N VAL A 52 18.763 4.390 -4.902 1.00 0.00 N ATOM 790 CA VAL A 52 19.439 4.127 -6.168 1.00 0.00 C ATOM 791 C VAL A 52 20.895 3.738 -5.943 1.00 0.00 C ATOM 792 O VAL A 52 21.434 2.883 -6.645 1.00 0.00 O ATOM 793 CB VAL A 52 19.384 5.354 -7.097 1.00 0.00 C ATOM 794 CG1 VAL A 52 17.943 5.756 -7.368 1.00 0.00 C ATOM 795 CG2 VAL A 52 20.166 6.513 -6.496 1.00 0.00 C ATOM 0 H VAL A 52 18.757 5.371 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 52 18.914 3.297 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 52 19.846 5.088 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.925 6.625 -8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.418 4.928 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 52 17.451 6.003 -6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 52 20.116 7.372 -7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 52 19.736 6.780 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 52 21.207 6.218 -6.360 1.00 0.00 H new ATOM 805 N GLN A 53 21.526 4.371 -4.959 1.00 0.00 N ATOM 806 CA GLN A 53 22.922 4.090 -4.642 1.00 0.00 C ATOM 807 C GLN A 53 23.116 2.617 -4.299 1.00 0.00 C ATOM 808 O GLN A 53 23.967 1.941 -4.878 1.00 0.00 O ATOM 809 CB GLN A 53 23.388 4.963 -3.476 1.00 0.00 C ATOM 810 CG GLN A 53 23.320 6.454 -3.768 1.00 0.00 C ATOM 811 CD GLN A 53 24.214 7.268 -2.853 1.00 0.00 C ATOM 812 OE1 GLN A 53 25.154 6.743 -2.256 1.00 0.00 O ATOM 813 NE2 GLN A 53 23.926 8.559 -2.740 1.00 0.00 N ATOM 0 H GLN A 53 21.094 5.081 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 53 23.522 4.322 -5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 53 22.775 4.744 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.414 4.697 -3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 53 23.609 6.631 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 53 22.290 6.795 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 53 23.137 8.952 -3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 53 24.494 9.158 -2.140 1.00 0.00 H new ATOM 822 N ASP A 54 22.322 2.125 -3.354 1.00 0.00 N ATOM 823 CA ASP A 54 22.406 0.731 -2.933 1.00 0.00 C ATOM 824 C ASP A 54 21.092 0.004 -3.198 1.00 0.00 C ATOM 825 O ASP A 54 20.036 0.628 -3.310 1.00 0.00 O ATOM 826 CB ASP A 54 22.761 0.645 -1.448 1.00 0.00 C ATOM 827 CG ASP A 54 24.257 0.696 -1.206 1.00 0.00 C ATOM 828 OD1 ASP A 54 25.013 0.189 -2.061 1.00 0.00 O ATOM 829 OD2 ASP A 54 24.671 1.241 -0.162 1.00 0.00 O ATOM 0 H ASP A 54 21.613 2.671 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 54 23.191 0.248 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 54 22.282 1.466 -0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 54 22.360 -0.281 -1.035 1.00 0.00 H new ATOM 834 N PHE A 55 21.163 -1.320 -3.298 1.00 0.00 N ATOM 835 CA PHE A 55 19.980 -2.132 -3.551 1.00 0.00 C ATOM 836 C PHE A 55 19.438 -2.725 -2.254 1.00 0.00 C ATOM 837 O PHE A 55 19.989 -3.688 -1.721 1.00 0.00 O ATOM 838 CB PHE A 55 20.307 -3.254 -4.539 1.00 0.00 C ATOM 839 CG PHE A 55 21.242 -2.832 -5.636 1.00 0.00 C ATOM 840 CD1 PHE A 55 22.614 -2.936 -5.473 1.00 0.00 C ATOM 841 CD2 PHE A 55 20.749 -2.332 -6.831 1.00 0.00 C ATOM 842 CE1 PHE A 55 23.477 -2.547 -6.481 1.00 0.00 C ATOM 843 CE2 PHE A 55 21.607 -1.943 -7.843 1.00 0.00 C ATOM 844 CZ PHE A 55 22.973 -2.052 -7.668 1.00 0.00 C ATOM 0 H PHE A 55 22.028 -1.852 -3.207 1.00 0.00 H new ATOM 0 HA PHE A 55 19.214 -1.487 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.750 -4.088 -3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 55 19.380 -3.619 -4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 55 23.014 -3.325 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 55 19.682 -2.245 -6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 55 24.545 -2.630 -6.340 1.00 0.00 H new ATOM 0 HE2 PHE A 55 21.210 -1.554 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.645 -1.751 -8.458 1.00 0.00 H new ATOM 854 N ALA A 56 18.356 -2.141 -1.750 1.00 0.00 N ATOM 855 CA ALA A 56 17.738 -2.611 -0.516 1.00 0.00 C ATOM 856 C ALA A 56 16.551 -3.522 -0.809 1.00 0.00 C ATOM 857 O ALA A 56 16.600 -4.724 -0.548 1.00 0.00 O ATOM 858 CB ALA A 56 17.302 -1.430 0.339 1.00 0.00 C ATOM 0 H ALA A 56 17.889 -1.341 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 56 18.479 -3.190 0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.842 -1.796 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.170 -0.820 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.581 -0.828 -0.213 1.00 0.00 H new ATOM 864 N CYS A 57 15.485 -2.941 -1.350 1.00 0.00 N ATOM 865 CA CYS A 57 14.284 -3.701 -1.677 1.00 0.00 C ATOM 866 C CYS A 57 14.627 -4.926 -2.519 1.00 0.00 C ATOM 867 O CYS A 57 13.927 -5.937 -2.475 1.00 0.00 O ATOM 868 CB CYS A 57 13.284 -2.818 -2.423 1.00 0.00 C ATOM 869 SG CYS A 57 11.562 -3.344 -2.252 1.00 0.00 S ATOM 0 H CYS A 57 15.428 -1.947 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 57 13.833 -4.039 -0.744 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.378 -1.795 -2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.545 -2.806 -3.481 1.00 0.00 H new ATOM 0 HG CYS A 57 11.524 -4.584 -1.863 1.00 0.00 H new ATOM 875 N GLN A 58 15.709 -4.826 -3.285 1.00 0.00 N ATOM 876 CA GLN A 58 16.143 -5.925 -4.140 1.00 0.00 C ATOM 877 C GLN A 58 16.324 -7.205 -3.330 1.00 0.00 C ATOM 878 O GLN A 58 16.062 -8.304 -3.821 1.00 0.00 O ATOM 879 CB GLN A 58 17.451 -5.564 -4.845 1.00 0.00 C ATOM 880 CG GLN A 58 18.691 -6.060 -4.118 1.00 0.00 C ATOM 881 CD GLN A 58 18.923 -7.546 -4.307 1.00 0.00 C ATOM 882 OE1 GLN A 58 19.101 -8.262 -3.203 1.00 0.00 O flip ATOM 883 NE2 GLN A 58 18.943 -8.045 -5.433 1.00 0.00 N flip ATOM 0 H GLN A 58 16.300 -3.996 -3.331 1.00 0.00 H new ATOM 0 HA GLN A 58 15.370 -6.097 -4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 58 17.439 -5.982 -5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.510 -4.481 -4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 58 19.562 -5.512 -4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.595 -5.844 -3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.801 -7.457 -6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.101 -9.047 -5.544 1.00 0.00 H new ATOM 892 N CYS A 59 16.774 -7.055 -2.089 1.00 0.00 N ATOM 893 CA CYS A 59 16.992 -8.200 -1.212 1.00 0.00 C ATOM 894 C CYS A 59 15.664 -8.772 -0.725 1.00 0.00 C ATOM 895 O CYS A 59 15.359 -9.943 -0.954 1.00 0.00 O ATOM 896 CB CYS A 59 17.855 -7.795 -0.016 1.00 0.00 C ATOM 897 SG CYS A 59 17.927 -9.037 1.297 1.00 0.00 S ATOM 0 H CYS A 59 16.995 -6.153 -1.668 1.00 0.00 H new ATOM 0 HA CYS A 59 17.512 -8.970 -1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 59 18.867 -7.591 -0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 59 17.468 -6.865 0.399 1.00 0.00 H new ATOM 0 HG CYS A 59 18.682 -8.604 2.263 1.00 0.00 H new ATOM 903 N LEU A 60 14.879 -7.939 -0.051 1.00 0.00 N ATOM 904 CA LEU A 60 13.583 -8.362 0.470 1.00 0.00 C ATOM 905 C LEU A 60 12.675 -8.846 -0.655 1.00 0.00 C ATOM 906 O LEU A 60 12.211 -9.985 -0.645 1.00 0.00 O ATOM 907 CB LEU A 60 12.914 -7.211 1.222 1.00 0.00 C ATOM 908 CG LEU A 60 13.700 -6.629 2.397 1.00 0.00 C ATOM 909 CD1 LEU A 60 14.443 -5.372 1.972 1.00 0.00 C ATOM 910 CD2 LEU A 60 12.772 -6.332 3.566 1.00 0.00 C ATOM 0 H LEU A 60 15.117 -6.967 0.148 1.00 0.00 H new ATOM 0 HA LEU A 60 13.749 -9.190 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.713 -6.408 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.949 -7.558 1.593 1.00 0.00 H new ATOM 0 HG LEU A 60 14.433 -7.368 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.997 -4.972 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.138 -5.614 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.728 -4.628 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.349 -5.918 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.015 -5.612 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.286 -7.253 3.888 1.00 0.00 H new ATOM 922 N ASN A 61 12.428 -7.973 -1.626 1.00 0.00 N ATOM 923 CA ASN A 61 11.577 -8.312 -2.761 1.00 0.00 C ATOM 924 C ASN A 61 11.878 -9.720 -3.266 1.00 0.00 C ATOM 925 O ASN A 61 11.000 -10.402 -3.794 1.00 0.00 O ATOM 926 CB ASN A 61 11.771 -7.300 -3.892 1.00 0.00 C ATOM 927 CG ASN A 61 10.795 -7.513 -5.033 1.00 0.00 C ATOM 928 OD1 ASN A 61 10.851 -8.526 -5.731 1.00 0.00 O ATOM 929 ND2 ASN A 61 9.895 -6.556 -5.228 1.00 0.00 N ATOM 0 H ASN A 61 12.805 -7.026 -1.650 1.00 0.00 H new ATOM 0 HA ASN A 61 10.540 -8.279 -2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.650 -6.291 -3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.790 -7.374 -4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.213 -6.643 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.886 -5.734 -4.625 1.00 0.00 H new ATOM 936 N ARG A 62 13.125 -10.148 -3.099 1.00 0.00 N ATOM 937 CA ARG A 62 13.543 -11.474 -3.538 1.00 0.00 C ATOM 938 C ARG A 62 12.514 -12.528 -3.138 1.00 0.00 C ATOM 939 O ARG A 62 11.916 -13.181 -3.993 1.00 0.00 O ATOM 940 CB ARG A 62 14.907 -11.825 -2.942 1.00 0.00 C ATOM 941 CG ARG A 62 15.618 -12.954 -3.672 1.00 0.00 C ATOM 942 CD ARG A 62 17.113 -12.940 -3.397 1.00 0.00 C ATOM 943 NE ARG A 62 17.864 -13.670 -4.415 1.00 0.00 N ATOM 944 CZ ARG A 62 18.230 -13.142 -5.578 1.00 0.00 C ATOM 945 NH1 ARG A 62 17.916 -11.887 -5.868 1.00 0.00 N ATOM 946 NH2 ARG A 62 18.911 -13.871 -6.453 1.00 0.00 N ATOM 0 H ARG A 62 13.863 -9.596 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 62 13.622 -11.462 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.540 -10.938 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.776 -12.105 -1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.199 -13.911 -3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.443 -12.863 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.465 -11.909 -3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.306 -13.381 -2.419 1.00 0.00 H new ATOM 0 HE ARG A 62 18.122 -14.638 -4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.392 -11.324 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.198 -11.484 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.154 -14.837 -6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.192 -13.465 -7.346 1.00 0.00 H new ATOM 960 N ASP A 63 12.315 -12.688 -1.835 1.00 0.00 N ATOM 961 CA ASP A 63 11.359 -13.662 -1.321 1.00 0.00 C ATOM 962 C ASP A 63 10.249 -12.971 -0.535 1.00 0.00 C ATOM 963 O ASP A 63 9.089 -13.381 -0.588 1.00 0.00 O ATOM 964 CB ASP A 63 12.068 -14.686 -0.434 1.00 0.00 C ATOM 965 CG ASP A 63 13.140 -15.455 -1.180 1.00 0.00 C ATOM 966 OD1 ASP A 63 14.212 -14.873 -1.445 1.00 0.00 O ATOM 967 OD2 ASP A 63 12.906 -16.640 -1.501 1.00 0.00 O ATOM 0 H ASP A 63 12.803 -12.156 -1.115 1.00 0.00 H new ATOM 0 HA ASP A 63 10.911 -14.178 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.518 -14.175 0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.334 -15.386 -0.035 1.00 0.00 H new ATOM 972 N VAL A 64 10.612 -11.922 0.195 1.00 0.00 N ATOM 973 CA VAL A 64 9.648 -11.174 0.993 1.00 0.00 C ATOM 974 C VAL A 64 8.433 -10.782 0.160 1.00 0.00 C ATOM 975 O VAL A 64 7.332 -11.291 0.372 1.00 0.00 O ATOM 976 CB VAL A 64 10.279 -9.903 1.590 1.00 0.00 C ATOM 977 CG1 VAL A 64 9.236 -9.094 2.348 1.00 0.00 C ATOM 978 CG2 VAL A 64 11.447 -10.263 2.496 1.00 0.00 C ATOM 0 H VAL A 64 11.568 -11.570 0.250 1.00 0.00 H new ATOM 0 HA VAL A 64 9.333 -11.829 1.805 1.00 0.00 H new ATOM 0 HB VAL A 64 10.658 -9.289 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.700 -8.199 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.435 -8.805 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.825 -9.698 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.881 -9.353 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.095 -10.898 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.203 -10.796 1.920 1.00 0.00 H new ATOM 988 N TRP A 65 8.640 -9.875 -0.788 1.00 0.00 N ATOM 989 CA TRP A 65 7.561 -9.414 -1.654 1.00 0.00 C ATOM 990 C TRP A 65 7.316 -10.401 -2.791 1.00 0.00 C ATOM 991 O TRP A 65 6.695 -10.061 -3.797 1.00 0.00 O ATOM 992 CB TRP A 65 7.890 -8.033 -2.223 1.00 0.00 C ATOM 993 CG TRP A 65 8.399 -7.072 -1.192 1.00 0.00 C ATOM 994 CD1 TRP A 65 9.536 -6.319 -1.264 1.00 0.00 C ATOM 995 CD2 TRP A 65 7.790 -6.763 0.066 1.00 0.00 C ATOM 996 NE1 TRP A 65 9.670 -5.560 -0.126 1.00 0.00 N ATOM 997 CE2 TRP A 65 8.612 -5.814 0.705 1.00 0.00 C ATOM 998 CE3 TRP A 65 6.629 -7.194 0.714 1.00 0.00 C ATOM 999 CZ2 TRP A 65 8.308 -5.291 1.959 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 6.330 -6.674 1.960 1.00 0.00 C ATOM 1001 CH2 TRP A 65 7.166 -5.731 2.571 1.00 0.00 C ATOM 0 H TRP A 65 9.545 -9.444 -0.976 1.00 0.00 H new ATOM 0 HA TRP A 65 6.653 -9.345 -1.055 1.00 0.00 H new ATOM 0 HB2 TRP A 65 8.637 -8.140 -3.009 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.996 -7.617 -2.687 1.00 0.00 H new ATOM 0 HD1 TRP A 65 10.228 -6.320 -2.093 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.434 -4.912 0.068 1.00 0.00 H new ATOM 0 HE3 TRP A 65 5.977 -7.920 0.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.951 -4.564 2.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.436 -7.001 2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.904 -5.343 3.544 1.00 0.00 H new ATOM 1012 N SER A 66 7.809 -11.624 -2.623 1.00 0.00 N ATOM 1013 CA SER A 66 7.646 -12.659 -3.638 1.00 0.00 C ATOM 1014 C SER A 66 6.419 -13.517 -3.346 1.00 0.00 C ATOM 1015 O SER A 66 5.751 -13.995 -4.262 1.00 0.00 O ATOM 1016 CB SER A 66 8.895 -13.540 -3.702 1.00 0.00 C ATOM 1017 OG SER A 66 8.784 -14.509 -4.730 1.00 0.00 O ATOM 0 H SER A 66 8.324 -11.922 -1.795 1.00 0.00 H new ATOM 0 HA SER A 66 7.505 -12.170 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.773 -12.919 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.042 -14.038 -2.743 1.00 0.00 H new ATOM 0 HG SER A 66 9.595 -15.058 -4.751 1.00 0.00 H new ATOM 1023 N ASN A 67 6.129 -13.708 -2.063 1.00 0.00 N ATOM 1024 CA ASN A 67 4.983 -14.509 -1.650 1.00 0.00 C ATOM 1025 C ASN A 67 3.674 -13.828 -2.038 1.00 0.00 C ATOM 1026 O ASN A 67 3.444 -12.667 -1.700 1.00 0.00 O ATOM 1027 CB ASN A 67 5.018 -14.746 -0.138 1.00 0.00 C ATOM 1028 CG ASN A 67 5.672 -16.065 0.225 1.00 0.00 C ATOM 1029 OD1 ASN A 67 6.362 -16.674 -0.593 1.00 0.00 O ATOM 1030 ND2 ASN A 67 5.458 -16.512 1.457 1.00 0.00 N ATOM 0 H ASN A 67 6.672 -13.319 -1.292 1.00 0.00 H new ATOM 0 HA ASN A 67 5.039 -15.469 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.559 -13.931 0.342 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.001 -14.728 0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.873 -17.394 1.759 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.879 -15.974 2.101 1.00 0.00 H new ATOM 1037 N GLU A 68 2.821 -14.558 -2.750 1.00 0.00 N ATOM 1038 CA GLU A 68 1.536 -14.024 -3.184 1.00 0.00 C ATOM 1039 C GLU A 68 0.711 -13.553 -1.990 1.00 0.00 C ATOM 1040 O GLU A 68 0.121 -12.474 -2.016 1.00 0.00 O ATOM 1041 CB GLU A 68 0.758 -15.081 -3.971 1.00 0.00 C ATOM 1042 CG GLU A 68 0.502 -16.357 -3.187 1.00 0.00 C ATOM 1043 CD GLU A 68 0.054 -17.505 -4.071 1.00 0.00 C ATOM 1044 OE1 GLU A 68 -0.919 -17.323 -4.832 1.00 0.00 O ATOM 1045 OE2 GLU A 68 0.678 -18.585 -4.001 1.00 0.00 O ATOM 0 H GLU A 68 2.997 -15.520 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 68 1.728 -13.168 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.197 -14.659 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.311 -15.326 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.412 -16.643 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.259 -16.168 -2.430 1.00 0.00 H new ATOM 1052 N ALA A 69 0.674 -14.372 -0.944 1.00 0.00 N ATOM 1053 CA ALA A 69 -0.077 -14.041 0.260 1.00 0.00 C ATOM 1054 C ALA A 69 0.222 -12.617 0.719 1.00 0.00 C ATOM 1055 O ALA A 69 -0.690 -11.851 1.033 1.00 0.00 O ATOM 1056 CB ALA A 69 0.240 -15.032 1.370 1.00 0.00 C ATOM 0 H ALA A 69 1.156 -15.270 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.139 -14.104 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.328 -14.772 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.030 -16.038 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.306 -14.997 1.595 1.00 0.00 H new ATOM 1062 N VAL A 70 1.504 -12.269 0.756 1.00 0.00 N ATOM 1063 CA VAL A 70 1.923 -10.937 1.176 1.00 0.00 C ATOM 1064 C VAL A 70 1.445 -9.875 0.192 1.00 0.00 C ATOM 1065 O VAL A 70 1.004 -8.797 0.591 1.00 0.00 O ATOM 1066 CB VAL A 70 3.454 -10.846 1.309 1.00 0.00 C ATOM 1067 CG1 VAL A 70 3.866 -9.475 1.822 1.00 0.00 C ATOM 1068 CG2 VAL A 70 3.976 -11.945 2.223 1.00 0.00 C ATOM 0 H VAL A 70 2.271 -12.891 0.500 1.00 0.00 H new ATOM 0 HA VAL A 70 1.470 -10.755 2.151 1.00 0.00 H new ATOM 0 HB VAL A 70 3.895 -10.985 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.952 -9.430 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.526 -8.709 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.416 -9.302 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.060 -11.865 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.528 -11.840 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.714 -12.918 1.808 1.00 0.00 H new ATOM 1078 N LYS A 71 1.535 -10.187 -1.096 1.00 0.00 N ATOM 1079 CA LYS A 71 1.110 -9.261 -2.139 1.00 0.00 C ATOM 1080 C LYS A 71 -0.386 -8.979 -2.041 1.00 0.00 C ATOM 1081 O LYS A 71 -0.799 -7.842 -1.818 1.00 0.00 O ATOM 1082 CB LYS A 71 1.443 -9.829 -3.521 1.00 0.00 C ATOM 1083 CG LYS A 71 2.808 -9.411 -4.038 1.00 0.00 C ATOM 1084 CD LYS A 71 3.129 -10.076 -5.366 1.00 0.00 C ATOM 1085 CE LYS A 71 4.384 -9.489 -5.995 1.00 0.00 C ATOM 1086 NZ LYS A 71 4.167 -8.093 -6.464 1.00 0.00 N ATOM 0 H LYS A 71 1.899 -11.075 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 71 1.648 -8.324 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.398 -10.917 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.681 -9.506 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.837 -8.328 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.571 -9.673 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.264 -11.147 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.288 -9.954 -6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.197 -9.506 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.694 -10.110 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.003 -7.770 -6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.333 -8.061 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.013 -7.472 -5.645 1.00 0.00 H new ATOM 1100 N ASN A 72 -1.192 -10.023 -2.206 1.00 0.00 N ATOM 1101 CA ASN A 72 -2.643 -9.887 -2.135 1.00 0.00 C ATOM 1102 C ASN A 72 -3.055 -9.104 -0.891 1.00 0.00 C ATOM 1103 O ASN A 72 -4.125 -8.496 -0.855 1.00 0.00 O ATOM 1104 CB ASN A 72 -3.305 -11.266 -2.126 1.00 0.00 C ATOM 1105 CG ASN A 72 -2.939 -12.090 -3.345 1.00 0.00 C ATOM 1106 OD1 ASN A 72 -2.728 -11.552 -4.432 1.00 0.00 O ATOM 1107 ND2 ASN A 72 -2.863 -13.404 -3.169 1.00 0.00 N ATOM 0 H ASN A 72 -0.866 -10.972 -2.390 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.976 -9.338 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.008 -11.803 -1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.388 -11.146 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.622 -14.010 -3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.046 -13.807 -2.250 1.00 0.00 H new ATOM 1114 N ILE A 73 -2.199 -9.124 0.124 1.00 0.00 N ATOM 1115 CA ILE A 73 -2.473 -8.416 1.368 1.00 0.00 C ATOM 1116 C ILE A 73 -2.082 -6.946 1.262 1.00 0.00 C ATOM 1117 O ILE A 73 -2.841 -6.061 1.656 1.00 0.00 O ATOM 1118 CB ILE A 73 -1.724 -9.050 2.555 1.00 0.00 C ATOM 1119 CG1 ILE A 73 -2.288 -10.440 2.858 1.00 0.00 C ATOM 1120 CG2 ILE A 73 -1.818 -8.155 3.781 1.00 0.00 C ATOM 1121 CD1 ILE A 73 -1.337 -11.321 3.637 1.00 0.00 C ATOM 0 H ILE A 73 -1.309 -9.623 0.110 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.546 -8.493 1.544 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.673 -9.155 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.215 -10.332 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.541 -10.933 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.284 -8.617 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.373 -7.185 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.865 -8.020 4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.803 -12.290 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.419 -11.459 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.103 -10.849 4.591 1.00 0.00 H new ATOM 1133 N ILE A 74 -0.893 -6.693 0.725 1.00 0.00 N ATOM 1134 CA ILE A 74 -0.402 -5.331 0.563 1.00 0.00 C ATOM 1135 C ILE A 74 -1.264 -4.548 -0.422 1.00 0.00 C ATOM 1136 O ILE A 74 -1.224 -3.319 -0.457 1.00 0.00 O ATOM 1137 CB ILE A 74 1.059 -5.312 0.075 1.00 0.00 C ATOM 1138 CG1 ILE A 74 1.984 -5.898 1.144 1.00 0.00 C ATOM 1139 CG2 ILE A 74 1.481 -3.894 -0.279 1.00 0.00 C ATOM 1140 CD1 ILE A 74 3.377 -6.198 0.639 1.00 0.00 C ATOM 0 H ILE A 74 -0.252 -7.414 0.395 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.455 -4.859 1.544 1.00 0.00 H new ATOM 0 HB ILE A 74 1.135 -5.927 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.051 -5.199 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.542 -6.815 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.516 -3.897 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.837 -3.510 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.393 -3.258 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.977 -6.611 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.321 -6.921 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.839 -5.279 0.277 1.00 0.00 H new ATOM 1152 N ARG A 75 -2.045 -5.271 -1.219 1.00 0.00 N ATOM 1153 CA ARG A 75 -2.919 -4.644 -2.204 1.00 0.00 C ATOM 1154 C ARG A 75 -4.313 -4.417 -1.628 1.00 0.00 C ATOM 1155 O ARG A 75 -4.895 -3.346 -1.793 1.00 0.00 O ATOM 1156 CB ARG A 75 -3.010 -5.512 -3.461 1.00 0.00 C ATOM 1157 CG ARG A 75 -3.746 -6.824 -3.243 1.00 0.00 C ATOM 1158 CD ARG A 75 -3.872 -7.614 -4.536 1.00 0.00 C ATOM 1159 NE ARG A 75 -5.030 -8.504 -4.524 1.00 0.00 N ATOM 1160 CZ ARG A 75 -6.257 -8.118 -4.856 1.00 0.00 C ATOM 1161 NH1 ARG A 75 -6.484 -6.865 -5.224 1.00 0.00 N ATOM 1162 NH2 ARG A 75 -7.259 -8.986 -4.820 1.00 0.00 N ATOM 0 H ARG A 75 -2.090 -6.290 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.492 -3.676 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.514 -4.948 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.003 -5.725 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.216 -7.421 -2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.739 -6.623 -2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.954 -6.924 -5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.966 -8.200 -4.692 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.889 -9.475 -4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.716 -6.195 -5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.427 -6.571 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.088 -9.951 -4.537 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.201 -8.689 -5.075 1.00 0.00 H new ATOM 1176 N GLU A 76 -4.841 -5.432 -0.952 1.00 0.00 N ATOM 1177 CA GLU A 76 -6.168 -5.342 -0.353 1.00 0.00 C ATOM 1178 C GLU A 76 -6.114 -4.597 0.978 1.00 0.00 C ATOM 1179 O GLU A 76 -6.637 -3.489 1.103 1.00 0.00 O ATOM 1180 CB GLU A 76 -6.753 -6.740 -0.143 1.00 0.00 C ATOM 1181 CG GLU A 76 -8.272 -6.777 -0.186 1.00 0.00 C ATOM 1182 CD GLU A 76 -8.836 -8.107 0.274 1.00 0.00 C ATOM 1183 OE1 GLU A 76 -8.928 -9.033 -0.558 1.00 0.00 O ATOM 1184 OE2 GLU A 76 -9.186 -8.221 1.468 1.00 0.00 O ATOM 0 H GLU A 76 -4.371 -6.325 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.810 -4.786 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.360 -7.408 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.416 -7.125 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.669 -5.981 0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.608 -6.576 -1.203 1.00 0.00 H new ATOM 1191 N HIS A 77 -5.479 -5.213 1.970 1.00 0.00 N ATOM 1192 CA HIS A 77 -5.357 -4.609 3.292 1.00 0.00 C ATOM 1193 C HIS A 77 -4.664 -3.252 3.207 1.00 0.00 C ATOM 1194 O HIS A 77 -5.122 -2.272 3.795 1.00 0.00 O ATOM 1195 CB HIS A 77 -4.579 -5.534 4.228 1.00 0.00 C ATOM 1196 CG HIS A 77 -5.329 -6.775 4.603 1.00 0.00 C ATOM 1197 ND1 HIS A 77 -5.233 -8.042 4.136 1.00 0.00 N flip ATOM 1198 CD2 HIS A 77 -6.315 -6.797 5.567 1.00 0.00 C flip ATOM 1199 CE1 HIS A 77 -6.153 -8.799 4.820 1.00 0.00 C flip ATOM 1200 NE2 HIS A 77 -6.792 -8.024 5.677 1.00 0.00 N flip ATOM 0 H HIS A 77 -5.041 -6.130 1.883 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.360 -4.461 3.691 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.641 -5.817 3.749 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.322 -4.987 5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.645 -5.945 6.142 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.325 -9.856 4.680 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.529 -8.322 6.316 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.558 -3.203 2.472 1.00 0.00 N ATOM 1210 CA PHE A 78 -2.801 -1.967 2.312 1.00 0.00 C ATOM 1211 C PHE A 78 -2.776 -1.530 0.850 1.00 0.00 C ATOM 1212 O PHE A 78 -3.308 -2.216 -0.023 1.00 0.00 O ATOM 1213 CB PHE A 78 -1.372 -2.149 2.826 1.00 0.00 C ATOM 1214 CG PHE A 78 -1.302 -2.735 4.207 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -1.539 -4.084 4.415 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -0.999 -1.936 5.299 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -1.475 -4.626 5.685 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -0.933 -2.473 6.570 1.00 0.00 C ATOM 1219 CZ PHE A 78 -1.172 -3.819 6.764 1.00 0.00 C ATOM 0 H PHE A 78 -3.166 -4.005 1.978 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.294 -1.190 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.826 -2.795 2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.868 -1.183 2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.777 -4.720 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.813 -0.882 5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.662 -5.679 5.833 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.694 -1.840 7.412 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.122 -4.240 7.757 1.00 0.00 H new ATOM 1229 N ILE A 79 -2.156 -0.384 0.592 1.00 0.00 N ATOM 1230 CA ILE A 79 -2.061 0.145 -0.763 1.00 0.00 C ATOM 1231 C ILE A 79 -0.613 0.179 -1.239 1.00 0.00 C ATOM 1232 O ILE A 79 0.161 1.053 -0.846 1.00 0.00 O ATOM 1233 CB ILE A 79 -2.654 1.563 -0.857 1.00 0.00 C ATOM 1234 CG1 ILE A 79 -4.119 1.557 -0.416 1.00 0.00 C ATOM 1235 CG2 ILE A 79 -2.525 2.098 -2.275 1.00 0.00 C ATOM 1236 CD1 ILE A 79 -5.015 0.726 -1.307 1.00 0.00 C ATOM 0 H ILE A 79 -1.712 0.196 1.303 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.636 -0.523 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.096 2.219 -0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.181 1.177 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.489 2.582 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.949 3.101 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.472 2.134 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.061 1.443 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.038 0.768 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.983 1.119 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.671 -0.308 -1.306 1.00 0.00 H new ATOM 1248 N PHE A 80 -0.253 -0.776 -2.090 1.00 0.00 N ATOM 1249 CA PHE A 80 1.103 -0.855 -2.622 1.00 0.00 C ATOM 1250 C PHE A 80 1.484 0.439 -3.335 1.00 0.00 C ATOM 1251 O PHE A 80 1.062 0.684 -4.465 1.00 0.00 O ATOM 1252 CB PHE A 80 1.228 -2.038 -3.585 1.00 0.00 C ATOM 1253 CG PHE A 80 2.627 -2.260 -4.084 1.00 0.00 C ATOM 1254 CD1 PHE A 80 3.690 -2.326 -3.198 1.00 0.00 C ATOM 1255 CD2 PHE A 80 2.879 -2.402 -5.439 1.00 0.00 C ATOM 1256 CE1 PHE A 80 4.978 -2.529 -3.654 1.00 0.00 C ATOM 1257 CE2 PHE A 80 4.165 -2.606 -5.901 1.00 0.00 C ATOM 1258 CZ PHE A 80 5.216 -2.670 -5.008 1.00 0.00 C ATOM 0 H PHE A 80 -0.881 -1.506 -2.426 1.00 0.00 H new ATOM 0 HA PHE A 80 1.786 -1.003 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.882 -2.942 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.569 -1.874 -4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.510 -2.217 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.061 -2.353 -6.142 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.798 -2.577 -2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.348 -2.715 -6.960 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.222 -2.830 -5.367 1.00 0.00 H new ATOM 1268 N TRP A 81 2.283 1.262 -2.667 1.00 0.00 N ATOM 1269 CA TRP A 81 2.720 2.532 -3.236 1.00 0.00 C ATOM 1270 C TRP A 81 4.169 2.825 -2.863 1.00 0.00 C ATOM 1271 O TRP A 81 4.461 3.213 -1.732 1.00 0.00 O ATOM 1272 CB TRP A 81 1.817 3.668 -2.755 1.00 0.00 C ATOM 1273 CG TRP A 81 2.149 4.993 -3.372 1.00 0.00 C ATOM 1274 CD1 TRP A 81 1.678 5.487 -4.555 1.00 0.00 C ATOM 1275 CD2 TRP A 81 3.025 5.992 -2.838 1.00 0.00 C ATOM 1276 NE1 TRP A 81 2.209 6.733 -4.789 1.00 0.00 N ATOM 1277 CE2 TRP A 81 3.037 7.065 -3.750 1.00 0.00 C ATOM 1278 CE3 TRP A 81 3.798 6.085 -1.678 1.00 0.00 C ATOM 1279 CZ2 TRP A 81 3.794 8.214 -3.537 1.00 0.00 C ATOM 1280 CZ3 TRP A 81 4.549 7.226 -1.467 1.00 0.00 C ATOM 1281 CH2 TRP A 81 4.542 8.278 -2.392 1.00 0.00 C ATOM 0 H TRP A 81 2.642 1.073 -1.731 1.00 0.00 H new ATOM 0 HA TRP A 81 2.651 2.458 -4.321 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.780 3.419 -2.982 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.895 3.750 -1.671 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.990 4.974 -5.210 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.017 7.316 -5.604 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.809 5.279 -0.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 3.791 9.026 -4.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 5.151 7.308 -0.574 1.00 0.00 H new ATOM 0 HH2 TRP A 81 5.139 9.157 -2.198 1.00 0.00 H new ATOM 1292 N GLN A 82 5.072 2.637 -3.820 1.00 0.00 N ATOM 1293 CA GLN A 82 6.491 2.882 -3.590 1.00 0.00 C ATOM 1294 C GLN A 82 7.031 3.917 -4.571 1.00 0.00 C ATOM 1295 O GLN A 82 6.601 3.979 -5.724 1.00 0.00 O ATOM 1296 CB GLN A 82 7.282 1.579 -3.719 1.00 0.00 C ATOM 1297 CG GLN A 82 7.628 1.217 -5.154 1.00 0.00 C ATOM 1298 CD GLN A 82 7.729 -0.280 -5.370 1.00 0.00 C ATOM 1299 OE1 GLN A 82 7.001 -0.853 -6.181 1.00 0.00 O ATOM 1300 NE2 GLN A 82 8.635 -0.924 -4.642 1.00 0.00 N ATOM 0 H GLN A 82 4.846 2.316 -4.762 1.00 0.00 H new ATOM 0 HA GLN A 82 6.607 3.272 -2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.203 1.664 -3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.704 0.767 -3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.869 1.626 -5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.575 1.684 -5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.218 -0.410 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.748 -1.933 -4.744 1.00 0.00 H new ATOM 1309 N VAL A 83 7.975 4.730 -4.107 1.00 0.00 N ATOM 1310 CA VAL A 83 8.574 5.762 -4.944 1.00 0.00 C ATOM 1311 C VAL A 83 10.046 5.962 -4.601 1.00 0.00 C ATOM 1312 O VAL A 83 10.455 5.794 -3.451 1.00 0.00 O ATOM 1313 CB VAL A 83 7.837 7.106 -4.792 1.00 0.00 C ATOM 1314 CG1 VAL A 83 6.449 7.027 -5.411 1.00 0.00 C ATOM 1315 CG2 VAL A 83 7.754 7.505 -3.326 1.00 0.00 C ATOM 0 H VAL A 83 8.341 4.694 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 83 8.487 5.422 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 83 8.402 7.873 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.943 7.986 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.536 6.790 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.872 6.249 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.230 8.457 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.212 6.739 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.760 7.605 -2.919 1.00 0.00 H new ATOM 1325 N TYR A 84 10.838 6.320 -5.605 1.00 0.00 N ATOM 1326 CA TYR A 84 12.267 6.541 -5.410 1.00 0.00 C ATOM 1327 C TYR A 84 12.519 7.843 -4.657 1.00 0.00 C ATOM 1328 O TYR A 84 11.690 8.754 -4.672 1.00 0.00 O ATOM 1329 CB TYR A 84 12.988 6.571 -6.759 1.00 0.00 C ATOM 1330 CG TYR A 84 13.465 5.213 -7.221 1.00 0.00 C ATOM 1331 CD1 TYR A 84 12.648 4.390 -7.985 1.00 0.00 C ATOM 1332 CD2 TYR A 84 14.735 4.753 -6.893 1.00 0.00 C ATOM 1333 CE1 TYR A 84 13.080 3.148 -8.409 1.00 0.00 C ATOM 1334 CE2 TYR A 84 15.176 3.513 -7.313 1.00 0.00 C ATOM 1335 CZ TYR A 84 14.345 2.714 -8.070 1.00 0.00 C ATOM 1336 OH TYR A 84 14.780 1.478 -8.491 1.00 0.00 O ATOM 0 H TYR A 84 10.516 6.464 -6.562 1.00 0.00 H new ATOM 0 HA TYR A 84 12.659 5.717 -4.814 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.317 6.986 -7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.843 7.243 -6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.657 4.727 -8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 84 15.388 5.376 -6.300 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.431 2.521 -9.002 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.166 3.171 -7.050 1.00 0.00 H new ATOM 0 HH TYR A 84 15.693 1.325 -8.169 1.00 0.00 H new ATOM 1346 N HIS A 85 13.671 7.925 -3.999 1.00 0.00 N ATOM 1347 CA HIS A 85 14.035 9.115 -3.239 1.00 0.00 C ATOM 1348 C HIS A 85 14.328 10.286 -4.173 1.00 0.00 C ATOM 1349 O HIS A 85 13.848 11.399 -3.958 1.00 0.00 O ATOM 1350 CB HIS A 85 15.253 8.832 -2.359 1.00 0.00 C ATOM 1351 CG HIS A 85 16.541 8.767 -3.122 1.00 0.00 C ATOM 1352 ND1 HIS A 85 17.443 9.809 -3.165 1.00 0.00 N ATOM 1353 CD2 HIS A 85 17.076 7.776 -3.872 1.00 0.00 C ATOM 1354 CE1 HIS A 85 18.477 9.462 -3.910 1.00 0.00 C ATOM 1355 NE2 HIS A 85 18.279 8.232 -4.351 1.00 0.00 N ATOM 0 H HIS A 85 14.369 7.181 -3.977 1.00 0.00 H new ATOM 0 HA HIS A 85 13.191 9.382 -2.602 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.330 9.609 -1.598 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.102 7.888 -1.836 1.00 0.00 H new ATOM 0 HD1 HIS A 85 17.330 10.707 -2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.638 6.807 -4.059 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.338 10.079 -4.123 1.00 0.00 H new ATOM 1364 N ASP A 86 15.120 10.027 -5.208 1.00 0.00 N ATOM 1365 CA ASP A 86 15.477 11.060 -6.174 1.00 0.00 C ATOM 1366 C ASP A 86 14.236 11.803 -6.659 1.00 0.00 C ATOM 1367 O ASP A 86 14.272 13.013 -6.879 1.00 0.00 O ATOM 1368 CB ASP A 86 16.214 10.442 -7.363 1.00 0.00 C ATOM 1369 CG ASP A 86 17.654 10.097 -7.037 1.00 0.00 C ATOM 1370 OD1 ASP A 86 18.358 10.963 -6.477 1.00 0.00 O ATOM 1371 OD2 ASP A 86 18.077 8.962 -7.343 1.00 0.00 O ATOM 0 H ASP A 86 15.527 9.111 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 86 16.135 11.774 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 86 15.691 9.540 -7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 86 16.191 11.137 -8.202 1.00 0.00 H new ATOM 1376 N SER A 87 13.140 11.069 -6.824 1.00 0.00 N ATOM 1377 CA SER A 87 11.889 11.658 -7.287 1.00 0.00 C ATOM 1378 C SER A 87 11.510 12.867 -6.437 1.00 0.00 C ATOM 1379 O SER A 87 12.154 13.157 -5.430 1.00 0.00 O ATOM 1380 CB SER A 87 10.767 10.619 -7.247 1.00 0.00 C ATOM 1381 OG SER A 87 10.175 10.557 -5.961 1.00 0.00 O ATOM 0 H SER A 87 13.093 10.066 -6.644 1.00 0.00 H new ATOM 0 HA SER A 87 12.031 11.990 -8.316 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.008 10.870 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.164 9.640 -7.516 1.00 0.00 H new ATOM 0 HG SER A 87 9.613 9.756 -5.898 1.00 0.00 H new ATOM 1387 N GLU A 88 10.459 13.568 -6.852 1.00 0.00 N ATOM 1388 CA GLU A 88 9.994 14.745 -6.129 1.00 0.00 C ATOM 1389 C GLU A 88 9.197 14.345 -4.890 1.00 0.00 C ATOM 1390 O GLU A 88 9.314 14.969 -3.837 1.00 0.00 O ATOM 1391 CB GLU A 88 9.133 15.623 -7.040 1.00 0.00 C ATOM 1392 CG GLU A 88 7.795 15.000 -7.399 1.00 0.00 C ATOM 1393 CD GLU A 88 7.260 15.493 -8.729 1.00 0.00 C ATOM 1394 OE1 GLU A 88 7.949 15.305 -9.753 1.00 0.00 O ATOM 1395 OE2 GLU A 88 6.151 16.067 -8.746 1.00 0.00 O ATOM 0 H GLU A 88 9.915 13.341 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 88 10.869 15.311 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.958 16.580 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.685 15.831 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.901 13.916 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.072 15.225 -6.615 1.00 0.00 H new ATOM 1402 N GLU A 89 8.388 13.299 -5.027 1.00 0.00 N ATOM 1403 CA GLU A 89 7.572 12.815 -3.920 1.00 0.00 C ATOM 1404 C GLU A 89 8.425 12.066 -2.901 1.00 0.00 C ATOM 1405 O GLU A 89 8.109 12.036 -1.712 1.00 0.00 O ATOM 1406 CB GLU A 89 6.458 11.903 -4.439 1.00 0.00 C ATOM 1407 CG GLU A 89 6.945 10.525 -4.855 1.00 0.00 C ATOM 1408 CD GLU A 89 7.305 10.453 -6.326 1.00 0.00 C ATOM 1409 OE1 GLU A 89 6.852 11.329 -7.092 1.00 0.00 O ATOM 1410 OE2 GLU A 89 8.042 9.521 -6.711 1.00 0.00 O ATOM 0 H GLU A 89 8.280 12.771 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 89 7.125 13.679 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.700 11.793 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.976 12.381 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.816 10.256 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.171 9.789 -4.638 1.00 0.00 H new ATOM 1417 N GLY A 90 9.510 11.461 -3.377 1.00 0.00 N ATOM 1418 CA GLY A 90 10.392 10.719 -2.495 1.00 0.00 C ATOM 1419 C GLY A 90 11.118 11.616 -1.512 1.00 0.00 C ATOM 1420 O GLY A 90 11.278 11.265 -0.344 1.00 0.00 O ATOM 0 H GLY A 90 9.793 11.472 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.812 9.978 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.123 10.173 -3.092 1.00 0.00 H new ATOM 1424 N GLN A 91 11.559 12.776 -1.987 1.00 0.00 N ATOM 1425 CA GLN A 91 12.275 13.725 -1.142 1.00 0.00 C ATOM 1426 C GLN A 91 11.381 14.229 -0.013 1.00 0.00 C ATOM 1427 O GLN A 91 11.693 14.052 1.165 1.00 0.00 O ATOM 1428 CB GLN A 91 12.779 14.904 -1.975 1.00 0.00 C ATOM 1429 CG GLN A 91 13.900 14.537 -2.934 1.00 0.00 C ATOM 1430 CD GLN A 91 15.267 14.593 -2.282 1.00 0.00 C ATOM 1431 OE1 GLN A 91 15.656 15.615 -1.716 1.00 0.00 O ATOM 1432 NE2 GLN A 91 16.005 13.492 -2.358 1.00 0.00 N ATOM 0 H GLN A 91 11.433 13.082 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 91 13.129 13.210 -0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.947 15.318 -2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.128 15.689 -1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 91 13.727 13.533 -3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 91 13.880 15.216 -3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.643 12.667 -2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 91 16.934 13.471 -1.937 1.00 0.00 H new ATOM 1441 N ARG A 92 10.270 14.859 -0.381 1.00 0.00 N ATOM 1442 CA ARG A 92 9.333 15.390 0.601 1.00 0.00 C ATOM 1443 C ARG A 92 9.166 14.426 1.771 1.00 0.00 C ATOM 1444 O ARG A 92 9.401 14.787 2.925 1.00 0.00 O ATOM 1445 CB ARG A 92 7.975 15.657 -0.051 1.00 0.00 C ATOM 1446 CG ARG A 92 7.946 16.915 -0.904 1.00 0.00 C ATOM 1447 CD ARG A 92 6.698 16.970 -1.772 1.00 0.00 C ATOM 1448 NE ARG A 92 6.646 18.187 -2.579 1.00 0.00 N ATOM 1449 CZ ARG A 92 6.205 19.353 -2.122 1.00 0.00 C ATOM 1450 NH1 ARG A 92 5.779 19.461 -0.871 1.00 0.00 N ATOM 1451 NH2 ARG A 92 6.189 20.415 -2.918 1.00 0.00 N ATOM 0 H ARG A 92 9.997 15.014 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 92 9.737 16.328 0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.704 14.802 -0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.217 15.739 0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.982 17.794 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.833 16.947 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.673 16.099 -2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.813 16.917 -1.138 1.00 0.00 H new ATOM 0 HE ARG A 92 6.966 18.138 -3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.789 18.647 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.441 20.358 -0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.516 20.335 -3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.850 21.311 -2.567 1.00 0.00 H new ATOM 1465 N TYR A 93 8.759 13.199 1.466 1.00 0.00 N ATOM 1466 CA TYR A 93 8.558 12.183 2.493 1.00 0.00 C ATOM 1467 C TYR A 93 9.708 12.186 3.496 1.00 0.00 C ATOM 1468 O TYR A 93 9.489 12.198 4.707 1.00 0.00 O ATOM 1469 CB TYR A 93 8.429 10.800 1.853 1.00 0.00 C ATOM 1470 CG TYR A 93 8.156 9.695 2.849 1.00 0.00 C ATOM 1471 CD1 TYR A 93 6.868 9.448 3.306 1.00 0.00 C ATOM 1472 CD2 TYR A 93 9.186 8.897 3.331 1.00 0.00 C ATOM 1473 CE1 TYR A 93 6.614 8.440 4.217 1.00 0.00 C ATOM 1474 CE2 TYR A 93 8.942 7.886 4.240 1.00 0.00 C ATOM 1475 CZ TYR A 93 7.654 7.662 4.680 1.00 0.00 C ATOM 1476 OH TYR A 93 7.405 6.656 5.586 1.00 0.00 O ATOM 0 H TYR A 93 8.562 12.884 0.516 1.00 0.00 H new ATOM 0 HA TYR A 93 7.636 12.418 3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.624 10.823 1.118 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.348 10.572 1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.051 10.054 2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.196 9.070 2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.607 8.263 4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.755 7.275 4.604 1.00 0.00 H new ATOM 0 HH TYR A 93 8.236 6.171 5.773 1.00 0.00 H new ATOM 1486 N ILE A 94 10.933 12.176 2.981 1.00 0.00 N ATOM 1487 CA ILE A 94 12.118 12.180 3.830 1.00 0.00 C ATOM 1488 C ILE A 94 11.998 13.224 4.935 1.00 0.00 C ATOM 1489 O ILE A 94 12.227 12.929 6.108 1.00 0.00 O ATOM 1490 CB ILE A 94 13.394 12.457 3.014 1.00 0.00 C ATOM 1491 CG1 ILE A 94 13.576 11.389 1.933 1.00 0.00 C ATOM 1492 CG2 ILE A 94 14.608 12.503 3.929 1.00 0.00 C ATOM 1493 CD1 ILE A 94 14.686 11.702 0.955 1.00 0.00 C ATOM 0 H ILE A 94 11.131 12.165 1.980 1.00 0.00 H new ATOM 0 HA ILE A 94 12.190 11.188 4.276 1.00 0.00 H new ATOM 0 HB ILE A 94 13.293 13.427 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 94 13.783 10.432 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.641 11.276 1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 94 15.502 12.700 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.479 13.296 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.714 11.546 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 94 14.758 10.902 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 94 14.471 12.643 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 94 15.631 11.786 1.492 1.00 0.00 H new ATOM 1505 N GLN A 95 11.638 14.445 4.552 1.00 0.00 N ATOM 1506 CA GLN A 95 11.487 15.532 5.512 1.00 0.00 C ATOM 1507 C GLN A 95 10.367 15.233 6.503 1.00 0.00 C ATOM 1508 O GLN A 95 10.499 15.488 7.700 1.00 0.00 O ATOM 1509 CB GLN A 95 11.203 16.847 4.784 1.00 0.00 C ATOM 1510 CG GLN A 95 12.317 17.274 3.841 1.00 0.00 C ATOM 1511 CD GLN A 95 11.906 18.417 2.933 1.00 0.00 C ATOM 1512 OE1 GLN A 95 10.720 18.634 2.687 1.00 0.00 O ATOM 1513 NE2 GLN A 95 12.889 19.154 2.429 1.00 0.00 N ATOM 0 H GLN A 95 11.446 14.706 3.585 1.00 0.00 H new ATOM 0 HA GLN A 95 12.421 15.626 6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.277 16.746 4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.041 17.633 5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.187 17.574 4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.619 16.422 3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.859 18.938 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.674 19.936 1.811 1.00 0.00 H new ATOM 1522 N PHE A 96 9.265 14.691 5.995 1.00 0.00 N ATOM 1523 CA PHE A 96 8.120 14.358 6.836 1.00 0.00 C ATOM 1524 C PHE A 96 8.576 13.869 8.207 1.00 0.00 C ATOM 1525 O PHE A 96 8.339 14.523 9.223 1.00 0.00 O ATOM 1526 CB PHE A 96 7.259 13.289 6.160 1.00 0.00 C ATOM 1527 CG PHE A 96 5.868 13.199 6.719 1.00 0.00 C ATOM 1528 CD1 PHE A 96 5.663 12.973 8.071 1.00 0.00 C ATOM 1529 CD2 PHE A 96 4.765 13.340 5.893 1.00 0.00 C ATOM 1530 CE1 PHE A 96 4.384 12.890 8.589 1.00 0.00 C ATOM 1531 CE2 PHE A 96 3.483 13.258 6.405 1.00 0.00 C ATOM 1532 CZ PHE A 96 3.293 13.032 7.754 1.00 0.00 C ATOM 0 H PHE A 96 9.140 14.473 5.006 1.00 0.00 H new ATOM 0 HA PHE A 96 7.525 15.261 6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.200 13.503 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.748 12.320 6.265 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.513 12.860 8.728 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.908 13.516 4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.238 12.714 9.645 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.631 13.371 5.751 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.293 12.966 8.156 1.00 0.00 H new ATOM 1542 N TYR A 97 9.232 12.714 8.228 1.00 0.00 N ATOM 1543 CA TYR A 97 9.719 12.134 9.474 1.00 0.00 C ATOM 1544 C TYR A 97 11.244 12.145 9.520 1.00 0.00 C ATOM 1545 O TYR A 97 11.859 11.428 10.310 1.00 0.00 O ATOM 1546 CB TYR A 97 9.203 10.703 9.631 1.00 0.00 C ATOM 1547 CG TYR A 97 7.806 10.500 9.091 1.00 0.00 C ATOM 1548 CD1 TYR A 97 7.578 10.380 7.726 1.00 0.00 C ATOM 1549 CD2 TYR A 97 6.712 10.431 9.946 1.00 0.00 C ATOM 1550 CE1 TYR A 97 6.303 10.195 7.227 1.00 0.00 C ATOM 1551 CE2 TYR A 97 5.434 10.245 9.457 1.00 0.00 C ATOM 1552 CZ TYR A 97 5.234 10.128 8.097 1.00 0.00 C ATOM 1553 OH TYR A 97 3.962 9.945 7.606 1.00 0.00 O ATOM 0 H TYR A 97 9.439 12.161 7.396 1.00 0.00 H new ATOM 0 HA TYR A 97 9.344 12.740 10.299 1.00 0.00 H new ATOM 0 HB2 TYR A 97 9.884 10.022 9.120 1.00 0.00 H new ATOM 0 HB3 TYR A 97 9.218 10.434 10.687 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.413 10.432 7.042 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.864 10.524 11.011 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.144 10.103 6.163 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.596 10.191 10.136 1.00 0.00 H new ATOM 0 HH TYR A 97 3.495 10.806 7.579 1.00 0.00 H new ATOM 1563 N LYS A 98 11.850 12.965 8.668 1.00 0.00 N ATOM 1564 CA LYS A 98 13.303 13.073 8.610 1.00 0.00 C ATOM 1565 C LYS A 98 13.942 11.703 8.405 1.00 0.00 C ATOM 1566 O LYS A 98 14.949 11.376 9.036 1.00 0.00 O ATOM 1567 CB LYS A 98 13.838 13.711 9.894 1.00 0.00 C ATOM 1568 CG LYS A 98 13.408 15.156 10.080 1.00 0.00 C ATOM 1569 CD LYS A 98 14.291 16.107 9.289 1.00 0.00 C ATOM 1570 CE LYS A 98 15.541 16.485 10.068 1.00 0.00 C ATOM 1571 NZ LYS A 98 15.288 17.608 11.012 1.00 0.00 N ATOM 0 H LYS A 98 11.357 13.565 8.007 1.00 0.00 H new ATOM 0 HA LYS A 98 13.563 13.706 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.498 13.127 10.749 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.927 13.663 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.372 15.272 9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.449 15.415 11.138 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.576 15.641 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.728 17.007 9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.899 15.618 10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.331 16.767 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.164 17.836 11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.971 18.444 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.552 17.330 11.692 1.00 0.00 H new ATOM 1585 N LEU A 99 13.354 10.907 7.520 1.00 0.00 N ATOM 1586 CA LEU A 99 13.868 9.572 7.231 1.00 0.00 C ATOM 1587 C LEU A 99 15.343 9.628 6.848 1.00 0.00 C ATOM 1588 O LEU A 99 15.789 10.568 6.191 1.00 0.00 O ATOM 1589 CB LEU A 99 13.060 8.927 6.103 1.00 0.00 C ATOM 1590 CG LEU A 99 13.661 7.663 5.486 1.00 0.00 C ATOM 1591 CD1 LEU A 99 12.593 6.870 4.749 1.00 0.00 C ATOM 1592 CD2 LEU A 99 14.805 8.020 4.548 1.00 0.00 C ATOM 0 H LEU A 99 12.521 11.162 6.990 1.00 0.00 H new ATOM 0 HA LEU A 99 13.769 8.967 8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.069 8.685 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 99 12.925 9.665 5.312 1.00 0.00 H new ATOM 0 HG LEU A 99 14.057 7.042 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.039 5.974 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.806 6.583 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.168 7.483 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 99 15.221 7.109 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.434 8.662 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 99 15.581 8.546 5.104 1.00 0.00 H new ATOM 1604 N GLY A 100 16.096 8.613 7.262 1.00 0.00 N ATOM 1605 CA GLY A 100 17.512 8.565 6.952 1.00 0.00 C ATOM 1606 C GLY A 100 18.076 7.160 7.030 1.00 0.00 C ATOM 1607 O GLY A 100 19.158 6.948 7.577 1.00 0.00 O ATOM 0 H GLY A 100 15.750 7.823 7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 100 17.675 8.963 5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.054 9.210 7.644 1.00 0.00 H new ATOM 1611 N ASP A 101 17.340 6.198 6.484 1.00 0.00 N ATOM 1612 CA ASP A 101 17.772 4.805 6.495 1.00 0.00 C ATOM 1613 C ASP A 101 16.967 3.979 5.498 1.00 0.00 C ATOM 1614 O ASP A 101 15.891 4.388 5.062 1.00 0.00 O ATOM 1615 CB ASP A 101 17.628 4.216 7.899 1.00 0.00 C ATOM 1616 CG ASP A 101 16.183 3.947 8.269 1.00 0.00 C ATOM 1617 OD1 ASP A 101 15.544 3.112 7.595 1.00 0.00 O ATOM 1618 OD2 ASP A 101 15.690 4.572 9.232 1.00 0.00 O ATOM 0 H ASP A 101 16.441 6.357 6.028 1.00 0.00 H new ATOM 0 HA ASP A 101 18.821 4.773 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.194 3.287 7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 101 18.064 4.903 8.624 1.00 0.00 H new ATOM 1623 N PHE A 102 17.496 2.813 5.140 1.00 0.00 N ATOM 1624 CA PHE A 102 16.827 1.930 4.192 1.00 0.00 C ATOM 1625 C PHE A 102 17.268 0.483 4.393 1.00 0.00 C ATOM 1626 O PHE A 102 18.383 0.203 4.835 1.00 0.00 O ATOM 1627 CB PHE A 102 17.122 2.369 2.757 1.00 0.00 C ATOM 1628 CG PHE A 102 16.898 3.836 2.521 1.00 0.00 C ATOM 1629 CD1 PHE A 102 15.619 4.332 2.325 1.00 0.00 C ATOM 1630 CD2 PHE A 102 17.966 4.718 2.494 1.00 0.00 C ATOM 1631 CE1 PHE A 102 15.409 5.681 2.109 1.00 0.00 C ATOM 1632 CE2 PHE A 102 17.763 6.068 2.279 1.00 0.00 C ATOM 1633 CZ PHE A 102 16.483 6.550 2.084 1.00 0.00 C ATOM 0 H PHE A 102 18.385 2.458 5.492 1.00 0.00 H new ATOM 0 HA PHE A 102 15.754 1.993 4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 102 18.156 2.124 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 102 16.492 1.799 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.776 3.657 2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 102 18.969 4.346 2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.407 6.055 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 102 18.604 6.745 2.263 1.00 0.00 H new ATOM 0 HZ PHE A 102 16.322 7.604 1.912 1.00 0.00 H new ATOM 1643 N PRO A 103 16.373 -0.460 4.063 1.00 0.00 N ATOM 1644 CA PRO A 103 15.043 -0.138 3.537 1.00 0.00 C ATOM 1645 C PRO A 103 14.139 0.489 4.592 1.00 0.00 C ATOM 1646 O PRO A 103 14.478 0.521 5.775 1.00 0.00 O ATOM 1647 CB PRO A 103 14.494 -1.500 3.104 1.00 0.00 C ATOM 1648 CG PRO A 103 15.220 -2.488 3.951 1.00 0.00 C ATOM 1649 CD PRO A 103 16.590 -1.912 4.177 1.00 0.00 C ATOM 0 HA PRO A 103 15.090 0.594 2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.417 -1.560 3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.673 -1.680 2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.702 -2.646 4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.281 -3.457 3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 103 16.984 -2.184 5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.304 -2.271 3.436 1.00 0.00 H new ATOM 1657 N TYR A 104 12.987 0.987 4.156 1.00 0.00 N ATOM 1658 CA TYR A 104 12.034 1.616 5.063 1.00 0.00 C ATOM 1659 C TYR A 104 10.613 1.140 4.777 1.00 0.00 C ATOM 1660 O TYR A 104 10.200 1.041 3.621 1.00 0.00 O ATOM 1661 CB TYR A 104 12.109 3.139 4.939 1.00 0.00 C ATOM 1662 CG TYR A 104 11.589 3.871 6.155 1.00 0.00 C ATOM 1663 CD1 TYR A 104 12.421 4.148 7.233 1.00 0.00 C ATOM 1664 CD2 TYR A 104 10.265 4.288 6.226 1.00 0.00 C ATOM 1665 CE1 TYR A 104 11.950 4.816 8.346 1.00 0.00 C ATOM 1666 CE2 TYR A 104 9.785 4.958 7.335 1.00 0.00 C ATOM 1667 CZ TYR A 104 10.631 5.220 8.392 1.00 0.00 C ATOM 1668 OH TYR A 104 10.158 5.887 9.499 1.00 0.00 O ATOM 0 H TYR A 104 12.691 0.967 3.180 1.00 0.00 H new ATOM 0 HA TYR A 104 12.296 1.328 6.081 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.145 3.431 4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 104 11.538 3.453 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.454 3.835 7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.600 4.085 5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.610 5.021 9.176 1.00 0.00 H new ATOM 0 HE2 TYR A 104 8.753 5.275 7.374 1.00 0.00 H new ATOM 0 HH TYR A 104 9.210 6.102 9.371 1.00 0.00 H new ATOM 1678 N VAL A 105 9.869 0.847 5.838 1.00 0.00 N ATOM 1679 CA VAL A 105 8.493 0.383 5.703 1.00 0.00 C ATOM 1680 C VAL A 105 7.663 0.762 6.924 1.00 0.00 C ATOM 1681 O VAL A 105 7.995 0.396 8.051 1.00 0.00 O ATOM 1682 CB VAL A 105 8.432 -1.143 5.508 1.00 0.00 C ATOM 1683 CG1 VAL A 105 6.990 -1.608 5.378 1.00 0.00 C ATOM 1684 CG2 VAL A 105 9.245 -1.557 4.290 1.00 0.00 C ATOM 0 H VAL A 105 10.196 0.923 6.801 1.00 0.00 H new ATOM 0 HA VAL A 105 8.080 0.871 4.821 1.00 0.00 H new ATOM 0 HB VAL A 105 8.865 -1.621 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.967 -2.689 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.440 -1.345 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.528 -1.123 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.191 -2.639 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 105 8.843 -1.070 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.284 -1.259 4.428 1.00 0.00 H new ATOM 1694 N SER A 106 6.580 1.497 6.692 1.00 0.00 N ATOM 1695 CA SER A 106 5.703 1.929 7.774 1.00 0.00 C ATOM 1696 C SER A 106 4.249 1.964 7.313 1.00 0.00 C ATOM 1697 O SER A 106 3.967 2.089 6.121 1.00 0.00 O ATOM 1698 CB SER A 106 6.123 3.311 8.279 1.00 0.00 C ATOM 1699 OG SER A 106 7.430 3.278 8.826 1.00 0.00 O ATOM 0 H SER A 106 6.289 1.806 5.764 1.00 0.00 H new ATOM 0 HA SER A 106 5.791 1.210 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.087 4.028 7.459 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.417 3.655 9.035 1.00 0.00 H new ATOM 0 HG SER A 106 8.029 3.824 8.275 1.00 0.00 H new ATOM 1705 N ILE A 107 3.330 1.852 8.266 1.00 0.00 N ATOM 1706 CA ILE A 107 1.905 1.872 7.959 1.00 0.00 C ATOM 1707 C ILE A 107 1.277 3.206 8.348 1.00 0.00 C ATOM 1708 O ILE A 107 1.171 3.533 9.531 1.00 0.00 O ATOM 1709 CB ILE A 107 1.158 0.735 8.681 1.00 0.00 C ATOM 1710 CG1 ILE A 107 1.663 -0.625 8.197 1.00 0.00 C ATOM 1711 CG2 ILE A 107 -0.342 0.860 8.456 1.00 0.00 C ATOM 1712 CD1 ILE A 107 1.113 -1.791 8.989 1.00 0.00 C ATOM 0 H ILE A 107 3.547 1.746 9.257 1.00 0.00 H new ATOM 0 HA ILE A 107 1.812 1.730 6.882 1.00 0.00 H new ATOM 0 HB ILE A 107 1.353 0.814 9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.395 -0.750 7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.751 -0.640 8.252 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.856 0.049 8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.690 1.817 8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.556 0.803 7.389 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.514 -2.723 8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.403 -1.689 10.035 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.026 -1.802 8.913 1.00 0.00 H new ATOM 1724 N LEU A 108 0.861 3.972 7.346 1.00 0.00 N ATOM 1725 CA LEU A 108 0.240 5.271 7.582 1.00 0.00 C ATOM 1726 C LEU A 108 -1.260 5.215 7.312 1.00 0.00 C ATOM 1727 O LEU A 108 -1.719 4.460 6.455 1.00 0.00 O ATOM 1728 CB LEU A 108 0.891 6.337 6.699 1.00 0.00 C ATOM 1729 CG LEU A 108 0.829 7.772 7.223 1.00 0.00 C ATOM 1730 CD1 LEU A 108 1.542 7.883 8.561 1.00 0.00 C ATOM 1731 CD2 LEU A 108 1.434 8.735 6.212 1.00 0.00 C ATOM 0 H LEU A 108 0.942 3.716 6.362 1.00 0.00 H new ATOM 0 HA LEU A 108 0.391 5.534 8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.938 6.070 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.415 6.308 5.719 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.217 8.040 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.487 8.911 8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.064 7.222 9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.587 7.595 8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.381 9.752 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.476 8.468 6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.879 8.676 5.276 1.00 0.00 H new ATOM 1743 N ASP A 109 -2.018 6.022 8.046 1.00 0.00 N ATOM 1744 CA ASP A 109 -3.466 6.067 7.884 1.00 0.00 C ATOM 1745 C ASP A 109 -3.872 7.190 6.933 1.00 0.00 C ATOM 1746 O ASP A 109 -3.514 8.353 7.118 1.00 0.00 O ATOM 1747 CB ASP A 109 -4.148 6.260 9.240 1.00 0.00 C ATOM 1748 CG ASP A 109 -5.635 5.973 9.186 1.00 0.00 C ATOM 1749 OD1 ASP A 109 -6.259 6.271 8.146 1.00 0.00 O ATOM 1750 OD2 ASP A 109 -6.176 5.452 10.184 1.00 0.00 O ATOM 0 H ASP A 109 -1.654 6.654 8.759 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.788 5.118 7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.681 5.604 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.991 7.284 9.580 1.00 0.00 H new ATOM 1755 N PRO A 110 -4.635 6.835 5.889 1.00 0.00 N ATOM 1756 CA PRO A 110 -5.105 7.797 4.888 1.00 0.00 C ATOM 1757 C PRO A 110 -6.149 8.756 5.451 1.00 0.00 C ATOM 1758 O PRO A 110 -6.601 9.670 4.762 1.00 0.00 O ATOM 1759 CB PRO A 110 -5.723 6.910 3.805 1.00 0.00 C ATOM 1760 CG PRO A 110 -6.119 5.662 4.518 1.00 0.00 C ATOM 1761 CD PRO A 110 -5.099 5.466 5.606 1.00 0.00 C ATOM 0 HA PRO A 110 -4.299 8.435 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.584 7.392 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.009 6.701 3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.122 5.752 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.132 4.811 3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.537 5.000 6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.281 4.824 5.279 1.00 0.00 H new ATOM 1769 N ARG A 111 -6.527 8.541 6.707 1.00 0.00 N ATOM 1770 CA ARG A 111 -7.518 9.386 7.362 1.00 0.00 C ATOM 1771 C ARG A 111 -6.842 10.484 8.179 1.00 0.00 C ATOM 1772 O ARG A 111 -7.098 11.671 7.976 1.00 0.00 O ATOM 1773 CB ARG A 111 -8.420 8.544 8.266 1.00 0.00 C ATOM 1774 CG ARG A 111 -9.497 7.782 7.512 1.00 0.00 C ATOM 1775 CD ARG A 111 -10.171 6.747 8.399 1.00 0.00 C ATOM 1776 NE ARG A 111 -11.300 7.309 9.136 1.00 0.00 N ATOM 1777 CZ ARG A 111 -12.527 7.406 8.638 1.00 0.00 C ATOM 1778 NH1 ARG A 111 -12.783 6.980 7.409 1.00 0.00 N ATOM 1779 NH2 ARG A 111 -13.502 7.930 9.370 1.00 0.00 N ATOM 0 H ARG A 111 -6.162 7.789 7.291 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.127 9.855 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.805 7.835 8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -8.894 9.195 9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.243 8.482 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.056 7.289 6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.517 5.914 7.786 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -9.443 6.344 9.103 1.00 0.00 H new ATOM 0 HE ARG A 111 -11.137 7.645 10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -12.036 6.576 6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -13.727 7.056 7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.309 8.259 10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -14.444 8.004 8.986 1.00 0.00 H new ATOM 1793 N THR A 112 -5.978 10.078 9.104 1.00 0.00 N ATOM 1794 CA THR A 112 -5.267 11.026 9.953 1.00 0.00 C ATOM 1795 C THR A 112 -3.845 11.252 9.453 1.00 0.00 C ATOM 1796 O THR A 112 -3.314 12.358 9.543 1.00 0.00 O ATOM 1797 CB THR A 112 -5.215 10.542 11.414 1.00 0.00 C ATOM 1798 OG1 THR A 112 -4.447 9.336 11.503 1.00 0.00 O ATOM 1799 CG2 THR A 112 -6.616 10.299 11.955 1.00 0.00 C ATOM 0 H THR A 112 -5.754 9.099 9.284 1.00 0.00 H new ATOM 0 HA THR A 112 -5.818 11.965 9.909 1.00 0.00 H new ATOM 0 HB THR A 112 -4.742 11.319 12.014 1.00 0.00 H new ATOM 0 HG1 THR A 112 -4.417 9.035 12.435 1.00 0.00 H new ATOM 0 HG21 THR A 112 -6.553 9.958 12.988 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.188 11.226 11.913 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.112 9.539 11.352 1.00 0.00 H new ATOM 1807 N GLY A 113 -3.233 10.196 8.925 1.00 0.00 N ATOM 1808 CA GLY A 113 -1.877 10.302 8.418 1.00 0.00 C ATOM 1809 C GLY A 113 -0.842 10.293 9.525 1.00 0.00 C ATOM 1810 O GLY A 113 0.156 11.010 9.454 1.00 0.00 O ATOM 0 H GLY A 113 -3.652 9.270 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.682 9.475 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.779 11.221 7.841 1.00 0.00 H new ATOM 1814 N GLN A 114 -1.080 9.482 10.550 1.00 0.00 N ATOM 1815 CA GLN A 114 -0.161 9.386 11.678 1.00 0.00 C ATOM 1816 C GLN A 114 0.565 8.045 11.676 1.00 0.00 C ATOM 1817 O GLN A 114 -0.064 6.986 11.703 1.00 0.00 O ATOM 1818 CB GLN A 114 -0.916 9.569 12.996 1.00 0.00 C ATOM 1819 CG GLN A 114 -0.088 9.226 14.224 1.00 0.00 C ATOM 1820 CD GLN A 114 -0.545 9.971 15.462 1.00 0.00 C ATOM 1821 OE1 GLN A 114 -1.433 10.822 15.396 1.00 0.00 O ATOM 1822 NE2 GLN A 114 0.060 9.654 16.601 1.00 0.00 N ATOM 0 H GLN A 114 -1.901 8.882 10.623 1.00 0.00 H new ATOM 0 HA GLN A 114 0.580 10.180 11.579 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -1.252 10.603 13.072 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -1.809 8.944 12.984 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -0.145 8.153 14.408 1.00 0.00 H new ATOM 0 HG3 GLN A 114 0.958 9.460 14.029 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.791 8.943 16.609 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.206 10.122 17.467 1.00 0.00 H new ATOM 1831 N LYS A 115 1.892 8.096 11.643 1.00 0.00 N ATOM 1832 CA LYS A 115 2.705 6.885 11.638 1.00 0.00 C ATOM 1833 C LYS A 115 2.368 5.999 12.833 1.00 0.00 C ATOM 1834 O LYS A 115 2.698 6.326 13.974 1.00 0.00 O ATOM 1835 CB LYS A 115 4.192 7.245 11.659 1.00 0.00 C ATOM 1836 CG LYS A 115 5.110 6.047 11.493 1.00 0.00 C ATOM 1837 CD LYS A 115 6.470 6.293 12.125 1.00 0.00 C ATOM 1838 CE LYS A 115 6.448 6.012 13.620 1.00 0.00 C ATOM 1839 NZ LYS A 115 5.758 7.092 14.377 1.00 0.00 N ATOM 0 H LYS A 115 2.428 8.963 11.619 1.00 0.00 H new ATOM 0 HA LYS A 115 2.484 6.332 10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.395 7.961 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.424 7.742 12.601 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.650 5.170 11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.235 5.828 10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.216 5.659 11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.771 7.326 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.946 5.062 13.804 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.470 5.908 13.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.145 7.142 15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.907 8.002 13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.739 6.887 14.423 1.00 0.00 H new ATOM 1853 N LEU A 116 1.711 4.876 12.565 1.00 0.00 N ATOM 1854 CA LEU A 116 1.332 3.942 13.618 1.00 0.00 C ATOM 1855 C LEU A 116 2.488 3.007 13.960 1.00 0.00 C ATOM 1856 O LEU A 116 2.907 2.918 15.114 1.00 0.00 O ATOM 1857 CB LEU A 116 0.111 3.126 13.188 1.00 0.00 C ATOM 1858 CG LEU A 116 -1.047 3.919 12.581 1.00 0.00 C ATOM 1859 CD1 LEU A 116 -2.140 2.980 12.095 1.00 0.00 C ATOM 1860 CD2 LEU A 116 -1.602 4.910 13.593 1.00 0.00 C ATOM 0 H LEU A 116 1.430 4.591 11.627 1.00 0.00 H new ATOM 0 HA LEU A 116 1.081 4.519 14.508 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.435 2.381 12.461 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.262 2.583 14.056 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.671 4.478 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.956 3.562 11.666 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.734 2.311 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.515 2.393 12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.425 5.466 13.144 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.963 4.372 14.469 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.816 5.604 13.892 1.00 0.00 H new ATOM 1872 N VAL A 117 3.000 2.313 12.948 1.00 0.00 N ATOM 1873 CA VAL A 117 4.110 1.388 13.141 1.00 0.00 C ATOM 1874 C VAL A 117 5.257 1.700 12.186 1.00 0.00 C ATOM 1875 O VAL A 117 5.071 2.381 11.179 1.00 0.00 O ATOM 1876 CB VAL A 117 3.666 -0.072 12.933 1.00 0.00 C ATOM 1877 CG1 VAL A 117 2.452 -0.389 13.793 1.00 0.00 C ATOM 1878 CG2 VAL A 117 3.372 -0.335 11.463 1.00 0.00 C ATOM 0 H VAL A 117 2.664 2.374 11.987 1.00 0.00 H new ATOM 0 HA VAL A 117 4.452 1.513 14.168 1.00 0.00 H new ATOM 0 HB VAL A 117 4.480 -0.728 13.240 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.153 -1.425 13.633 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.702 -0.242 14.844 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.630 0.273 13.520 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.060 -1.371 11.334 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.575 0.329 11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.270 -0.151 10.874 1.00 0.00 H new ATOM 1888 N GLU A 118 6.444 1.196 12.511 1.00 0.00 N ATOM 1889 CA GLU A 118 7.622 1.421 11.681 1.00 0.00 C ATOM 1890 C GLU A 118 8.597 0.253 11.791 1.00 0.00 C ATOM 1891 O GLU A 118 8.899 -0.215 12.889 1.00 0.00 O ATOM 1892 CB GLU A 118 8.318 2.721 12.089 1.00 0.00 C ATOM 1893 CG GLU A 118 8.946 2.668 13.472 1.00 0.00 C ATOM 1894 CD GLU A 118 9.367 4.035 13.975 1.00 0.00 C ATOM 1895 OE1 GLU A 118 10.035 4.766 13.214 1.00 0.00 O ATOM 1896 OE2 GLU A 118 9.030 4.373 15.128 1.00 0.00 O ATOM 0 H GLU A 118 6.615 0.630 13.342 1.00 0.00 H new ATOM 0 HA GLU A 118 7.295 1.501 10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.091 2.954 11.357 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.594 3.536 12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.235 2.230 14.173 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.815 2.011 13.447 1.00 0.00 H new ATOM 1903 N TRP A 119 9.083 -0.213 10.647 1.00 0.00 N ATOM 1904 CA TRP A 119 10.024 -1.328 10.614 1.00 0.00 C ATOM 1905 C TRP A 119 11.150 -1.060 9.622 1.00 0.00 C ATOM 1906 O TRP A 119 10.973 -0.327 8.649 1.00 0.00 O ATOM 1907 CB TRP A 119 9.298 -2.623 10.244 1.00 0.00 C ATOM 1908 CG TRP A 119 8.030 -2.834 11.013 1.00 0.00 C ATOM 1909 CD1 TRP A 119 7.856 -2.695 12.361 1.00 0.00 C ATOM 1910 CD2 TRP A 119 6.759 -3.224 10.481 1.00 0.00 C ATOM 1911 NE1 TRP A 119 6.553 -2.975 12.698 1.00 0.00 N ATOM 1912 CE2 TRP A 119 5.860 -3.301 11.562 1.00 0.00 C ATOM 1913 CE3 TRP A 119 6.293 -3.513 9.196 1.00 0.00 C ATOM 1914 CZ2 TRP A 119 4.524 -3.657 11.396 1.00 0.00 C ATOM 1915 CZ3 TRP A 119 4.967 -3.866 9.032 1.00 0.00 C ATOM 1916 CH2 TRP A 119 4.095 -3.935 10.126 1.00 0.00 C ATOM 0 H TRP A 119 8.842 0.163 9.730 1.00 0.00 H new ATOM 0 HA TRP A 119 10.459 -1.435 11.608 1.00 0.00 H new ATOM 0 HB2 TRP A 119 9.070 -2.611 9.178 1.00 0.00 H new ATOM 0 HB3 TRP A 119 9.965 -3.467 10.418 1.00 0.00 H new ATOM 0 HD1 TRP A 119 8.628 -2.407 13.059 1.00 0.00 H new ATOM 0 HE1 TRP A 119 6.165 -2.945 13.641 1.00 0.00 H new ATOM 0 HE3 TRP A 119 6.957 -3.461 8.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.851 -3.712 12.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 4.597 -4.093 8.043 1.00 0.00 H new ATOM 0 HH2 TRP A 119 3.064 -4.213 9.964 1.00 0.00 H new ATOM 1927 N HIS A 120 12.310 -1.660 9.875 1.00 0.00 N ATOM 1928 CA HIS A 120 13.466 -1.486 9.002 1.00 0.00 C ATOM 1929 C HIS A 120 13.553 -2.619 7.984 1.00 0.00 C ATOM 1930 O HIS A 120 13.583 -2.380 6.777 1.00 0.00 O ATOM 1931 CB HIS A 120 14.751 -1.427 9.829 1.00 0.00 C ATOM 1932 CG HIS A 120 15.894 -0.776 9.113 1.00 0.00 C ATOM 1933 ND1 HIS A 120 15.781 0.430 8.454 1.00 0.00 N ATOM 1934 CD2 HIS A 120 17.180 -1.170 8.956 1.00 0.00 C ATOM 1935 CE1 HIS A 120 16.947 0.749 7.922 1.00 0.00 C ATOM 1936 NE2 HIS A 120 17.813 -0.205 8.212 1.00 0.00 N ATOM 0 H HIS A 120 12.474 -2.270 10.676 1.00 0.00 H new ATOM 0 HA HIS A 120 13.346 -0.546 8.463 1.00 0.00 H new ATOM 0 HB2 HIS A 120 14.554 -0.883 10.753 1.00 0.00 H new ATOM 0 HB3 HIS A 120 15.039 -2.440 10.111 1.00 0.00 H new ATOM 0 HD1 HIS A 120 14.930 0.988 8.388 1.00 0.00 H new ATOM 0 HD2 HIS A 120 17.625 -2.075 9.344 1.00 0.00 H new ATOM 0 HE1 HIS A 120 17.157 1.639 7.347 1.00 0.00 H new ATOM 1945 N GLN A 121 13.595 -3.851 8.480 1.00 0.00 N ATOM 1946 CA GLN A 121 13.680 -5.021 7.613 1.00 0.00 C ATOM 1947 C GLN A 121 12.481 -5.940 7.819 1.00 0.00 C ATOM 1948 O GLN A 121 12.199 -6.369 8.938 1.00 0.00 O ATOM 1949 CB GLN A 121 14.977 -5.786 7.880 1.00 0.00 C ATOM 1950 CG GLN A 121 15.095 -6.304 9.305 1.00 0.00 C ATOM 1951 CD GLN A 121 16.524 -6.634 9.689 1.00 0.00 C ATOM 1952 OE1 GLN A 121 16.952 -7.786 9.603 1.00 0.00 O ATOM 1953 NE2 GLN A 121 17.271 -5.623 10.116 1.00 0.00 N ATOM 0 H GLN A 121 13.572 -4.065 9.477 1.00 0.00 H new ATOM 0 HA GLN A 121 13.676 -4.677 6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 121 15.042 -6.627 7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 121 15.824 -5.134 7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 121 14.701 -5.556 9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 121 14.478 -7.196 9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 121 16.875 -4.684 10.171 1.00 0.00 H new ATOM 0 HE22 GLN A 121 18.240 -5.785 10.389 1.00 0.00 H new ATOM 1962 N LEU A 122 11.778 -6.239 6.732 1.00 0.00 N ATOM 1963 CA LEU A 122 10.608 -7.108 6.793 1.00 0.00 C ATOM 1964 C LEU A 122 10.889 -8.448 6.121 1.00 0.00 C ATOM 1965 O LEU A 122 11.549 -8.507 5.083 1.00 0.00 O ATOM 1966 CB LEU A 122 9.410 -6.431 6.125 1.00 0.00 C ATOM 1967 CG LEU A 122 8.594 -5.487 7.009 1.00 0.00 C ATOM 1968 CD1 LEU A 122 8.084 -6.216 8.241 1.00 0.00 C ATOM 1969 CD2 LEU A 122 9.427 -4.278 7.409 1.00 0.00 C ATOM 0 H LEU A 122 11.998 -5.893 5.798 1.00 0.00 H new ATOM 0 HA LEU A 122 10.376 -7.290 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 122 9.770 -5.869 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 122 8.745 -7.207 5.745 1.00 0.00 H new ATOM 0 HG LEU A 122 7.734 -5.138 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.506 -5.528 8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 122 7.451 -7.049 7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.929 -6.595 8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.830 -3.617 8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.306 -4.609 7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.742 -3.741 6.514 1.00 0.00 H new ATOM 1981 N ASP A 123 10.382 -9.521 6.718 1.00 0.00 N ATOM 1982 CA ASP A 123 10.576 -10.861 6.176 1.00 0.00 C ATOM 1983 C ASP A 123 9.237 -11.514 5.849 1.00 0.00 C ATOM 1984 O ASP A 123 8.181 -11.028 6.257 1.00 0.00 O ATOM 1985 CB ASP A 123 11.352 -11.729 7.167 1.00 0.00 C ATOM 1986 CG ASP A 123 12.839 -11.431 7.158 1.00 0.00 C ATOM 1987 OD1 ASP A 123 13.205 -10.238 7.114 1.00 0.00 O ATOM 1988 OD2 ASP A 123 13.636 -12.391 7.194 1.00 0.00 O ATOM 0 H ASP A 123 9.834 -9.489 7.577 1.00 0.00 H new ATOM 0 HA ASP A 123 11.152 -10.773 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.959 -11.569 8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.194 -12.780 6.926 1.00 0.00 H new ATOM 1993 N VAL A 124 9.287 -12.617 5.109 1.00 0.00 N ATOM 1994 CA VAL A 124 8.077 -13.337 4.727 1.00 0.00 C ATOM 1995 C VAL A 124 7.196 -13.614 5.941 1.00 0.00 C ATOM 1996 O VAL A 124 6.069 -13.128 6.025 1.00 0.00 O ATOM 1997 CB VAL A 124 8.414 -14.672 4.036 1.00 0.00 C ATOM 1998 CG1 VAL A 124 7.142 -15.438 3.707 1.00 0.00 C ATOM 1999 CG2 VAL A 124 9.238 -14.428 2.781 1.00 0.00 C ATOM 0 H VAL A 124 10.152 -13.032 4.762 1.00 0.00 H new ATOM 0 HA VAL A 124 7.536 -12.700 4.027 1.00 0.00 H new ATOM 0 HB VAL A 124 9.008 -15.277 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 124 7.399 -16.378 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.593 -15.644 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.520 -14.841 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 124 9.467 -15.381 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 124 8.672 -13.804 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.166 -13.923 3.048 1.00 0.00 H new ATOM 2009 N SER A 125 7.719 -14.397 6.878 1.00 0.00 N ATOM 2010 CA SER A 125 6.979 -14.742 8.086 1.00 0.00 C ATOM 2011 C SER A 125 6.840 -13.530 9.003 1.00 0.00 C ATOM 2012 O SER A 125 5.732 -13.130 9.358 1.00 0.00 O ATOM 2013 CB SER A 125 7.677 -15.881 8.831 1.00 0.00 C ATOM 2014 OG SER A 125 6.846 -16.410 9.850 1.00 0.00 O ATOM 0 H SER A 125 8.652 -14.805 6.824 1.00 0.00 H new ATOM 0 HA SER A 125 5.982 -15.069 7.790 1.00 0.00 H new ATOM 0 HB2 SER A 125 7.943 -16.670 8.128 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.607 -15.517 9.268 1.00 0.00 H new ATOM 0 HG SER A 125 7.315 -17.137 10.310 1.00 0.00 H new ATOM 2020 N SER A 126 7.975 -12.950 9.382 1.00 0.00 N ATOM 2021 CA SER A 126 7.982 -11.786 10.260 1.00 0.00 C ATOM 2022 C SER A 126 6.945 -10.760 9.811 1.00 0.00 C ATOM 2023 O SER A 126 6.087 -10.345 10.591 1.00 0.00 O ATOM 2024 CB SER A 126 9.372 -11.147 10.284 1.00 0.00 C ATOM 2025 OG SER A 126 9.451 -10.134 11.272 1.00 0.00 O ATOM 0 H SER A 126 8.901 -13.267 9.095 1.00 0.00 H new ATOM 0 HA SER A 126 7.726 -12.119 11.266 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.124 -11.911 10.482 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.598 -10.723 9.305 1.00 0.00 H new ATOM 0 HG SER A 126 10.349 -9.743 11.268 1.00 0.00 H new ATOM 2031 N PHE A 127 7.031 -10.355 8.549 1.00 0.00 N ATOM 2032 CA PHE A 127 6.102 -9.377 7.994 1.00 0.00 C ATOM 2033 C PHE A 127 4.663 -9.722 8.368 1.00 0.00 C ATOM 2034 O PHE A 127 3.973 -8.935 9.017 1.00 0.00 O ATOM 2035 CB PHE A 127 6.245 -9.313 6.472 1.00 0.00 C ATOM 2036 CG PHE A 127 5.302 -8.340 5.823 1.00 0.00 C ATOM 2037 CD1 PHE A 127 5.513 -6.975 5.928 1.00 0.00 C ATOM 2038 CD2 PHE A 127 4.204 -8.792 5.108 1.00 0.00 C ATOM 2039 CE1 PHE A 127 4.648 -6.078 5.331 1.00 0.00 C ATOM 2040 CE2 PHE A 127 3.336 -7.899 4.509 1.00 0.00 C ATOM 2041 CZ PHE A 127 3.557 -6.540 4.621 1.00 0.00 C ATOM 0 H PHE A 127 7.735 -10.689 7.890 1.00 0.00 H new ATOM 0 HA PHE A 127 6.344 -8.401 8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.269 -9.036 6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.073 -10.306 6.057 1.00 0.00 H new ATOM 0 HD1 PHE A 127 6.364 -6.608 6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.025 -9.853 5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.825 -5.016 5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.485 -8.264 3.953 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.879 -5.841 4.155 1.00 0.00 H new ATOM 2051 N LEU A 128 4.217 -10.902 7.952 1.00 0.00 N ATOM 2052 CA LEU A 128 2.860 -11.352 8.242 1.00 0.00 C ATOM 2053 C LEU A 128 2.567 -11.273 9.737 1.00 0.00 C ATOM 2054 O LEU A 128 1.645 -10.578 10.163 1.00 0.00 O ATOM 2055 CB LEU A 128 2.660 -12.785 7.746 1.00 0.00 C ATOM 2056 CG LEU A 128 2.820 -13.004 6.241 1.00 0.00 C ATOM 2057 CD1 LEU A 128 3.274 -14.426 5.953 1.00 0.00 C ATOM 2058 CD2 LEU A 128 1.516 -12.701 5.517 1.00 0.00 C ATOM 0 H LEU A 128 4.775 -11.564 7.413 1.00 0.00 H new ATOM 0 HA LEU A 128 2.166 -10.693 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 128 3.370 -13.430 8.264 1.00 0.00 H new ATOM 0 HB3 LEU A 128 1.662 -13.112 8.036 1.00 0.00 H new ATOM 0 HG LEU A 128 3.585 -12.320 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 128 3.382 -14.563 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 128 4.232 -14.608 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 128 2.534 -15.129 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 128 1.648 -12.862 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.732 -13.360 5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.233 -11.664 5.696 1.00 0.00 H new ATOM 2070 N ASP A 129 3.360 -11.988 10.528 1.00 0.00 N ATOM 2071 CA ASP A 129 3.188 -11.996 11.976 1.00 0.00 C ATOM 2072 C ASP A 129 2.827 -10.606 12.488 1.00 0.00 C ATOM 2073 O ASP A 129 1.910 -10.450 13.294 1.00 0.00 O ATOM 2074 CB ASP A 129 4.465 -12.490 12.659 1.00 0.00 C ATOM 2075 CG ASP A 129 4.188 -13.148 13.997 1.00 0.00 C ATOM 2076 OD1 ASP A 129 3.606 -14.253 14.006 1.00 0.00 O ATOM 2077 OD2 ASP A 129 4.554 -12.558 15.034 1.00 0.00 O ATOM 0 H ASP A 129 4.128 -12.569 10.191 1.00 0.00 H new ATOM 0 HA ASP A 129 2.370 -12.675 12.217 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.971 -13.201 12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.144 -11.650 12.804 1.00 0.00 H new ATOM 2082 N GLN A 130 3.555 -9.599 12.017 1.00 0.00 N ATOM 2083 CA GLN A 130 3.312 -8.222 12.429 1.00 0.00 C ATOM 2084 C GLN A 130 2.022 -7.689 11.815 1.00 0.00 C ATOM 2085 O GLN A 130 1.139 -7.204 12.523 1.00 0.00 O ATOM 2086 CB GLN A 130 4.489 -7.331 12.026 1.00 0.00 C ATOM 2087 CG GLN A 130 5.679 -7.433 12.965 1.00 0.00 C ATOM 2088 CD GLN A 130 6.840 -6.559 12.533 1.00 0.00 C ATOM 2089 OE1 GLN A 130 7.141 -5.548 13.168 1.00 0.00 O ATOM 2090 NE2 GLN A 130 7.500 -6.945 11.447 1.00 0.00 N ATOM 0 H GLN A 130 4.318 -9.711 11.350 1.00 0.00 H new ATOM 0 HA GLN A 130 3.209 -8.207 13.514 1.00 0.00 H new ATOM 0 HB2 GLN A 130 4.808 -7.598 11.019 1.00 0.00 H new ATOM 0 HB3 GLN A 130 4.153 -6.295 11.990 1.00 0.00 H new ATOM 0 HG2 GLN A 130 5.369 -7.148 13.970 1.00 0.00 H new ATOM 0 HG3 GLN A 130 6.009 -8.471 13.015 1.00 0.00 H new ATOM 0 HE21 GLN A 130 7.216 -7.790 10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 130 8.291 -6.396 11.109 1.00 0.00 H new ATOM 2099 N VAL A 131 1.918 -7.783 10.493 1.00 0.00 N ATOM 2100 CA VAL A 131 0.735 -7.312 9.784 1.00 0.00 C ATOM 2101 C VAL A 131 -0.528 -7.973 10.322 1.00 0.00 C ATOM 2102 O VAL A 131 -1.401 -7.308 10.881 1.00 0.00 O ATOM 2103 CB VAL A 131 0.841 -7.586 8.272 1.00 0.00 C ATOM 2104 CG1 VAL A 131 -0.418 -7.122 7.555 1.00 0.00 C ATOM 2105 CG2 VAL A 131 2.074 -6.910 7.693 1.00 0.00 C ATOM 0 H VAL A 131 2.639 -8.181 9.892 1.00 0.00 H new ATOM 0 HA VAL A 131 0.676 -6.236 9.948 1.00 0.00 H new ATOM 0 HB VAL A 131 0.940 -8.661 8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.324 -7.324 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.281 -7.658 7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.552 -6.052 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.133 -7.114 6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.008 -5.834 7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.966 -7.297 8.186 1.00 0.00 H new ATOM 2115 N THR A 132 -0.621 -9.288 10.150 1.00 0.00 N ATOM 2116 CA THR A 132 -1.778 -10.040 10.618 1.00 0.00 C ATOM 2117 C THR A 132 -2.242 -9.544 11.983 1.00 0.00 C ATOM 2118 O THR A 132 -3.397 -9.156 12.153 1.00 0.00 O ATOM 2119 CB THR A 132 -1.469 -11.547 10.711 1.00 0.00 C ATOM 2120 OG1 THR A 132 -0.328 -11.762 11.548 1.00 0.00 O ATOM 2121 CG2 THR A 132 -1.209 -12.131 9.331 1.00 0.00 C ATOM 0 H THR A 132 0.092 -9.854 9.690 1.00 0.00 H new ATOM 0 HA THR A 132 -2.572 -9.883 9.888 1.00 0.00 H new ATOM 0 HB THR A 132 -2.335 -12.048 11.143 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.477 -11.435 11.094 1.00 0.00 H new ATOM 0 HG21 THR A 132 -0.993 -13.196 9.421 1.00 0.00 H new ATOM 0 HG22 THR A 132 -2.090 -11.991 8.705 1.00 0.00 H new ATOM 0 HG23 THR A 132 -0.357 -11.625 8.877 1.00 0.00 H new ATOM 2129 N GLY A 133 -1.333 -9.558 12.953 1.00 0.00 N ATOM 2130 CA GLY A 133 -1.668 -9.105 14.291 1.00 0.00 C ATOM 2131 C GLY A 133 -2.077 -7.646 14.324 1.00 0.00 C ATOM 2132 O GLY A 133 -3.057 -7.283 14.974 1.00 0.00 O ATOM 0 H GLY A 133 -0.371 -9.875 12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.480 -9.716 14.685 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.810 -9.254 14.947 1.00 0.00 H new ATOM 2136 N PHE A 134 -1.324 -6.806 13.621 1.00 0.00 N ATOM 2137 CA PHE A 134 -1.611 -5.377 13.575 1.00 0.00 C ATOM 2138 C PHE A 134 -3.032 -5.124 13.080 1.00 0.00 C ATOM 2139 O PHE A 134 -3.754 -4.291 13.630 1.00 0.00 O ATOM 2140 CB PHE A 134 -0.608 -4.663 12.667 1.00 0.00 C ATOM 2141 CG PHE A 134 -1.063 -3.301 12.225 1.00 0.00 C ATOM 2142 CD1 PHE A 134 -0.962 -2.213 13.077 1.00 0.00 C ATOM 2143 CD2 PHE A 134 -1.593 -3.110 10.960 1.00 0.00 C ATOM 2144 CE1 PHE A 134 -1.379 -0.958 12.674 1.00 0.00 C ATOM 2145 CE2 PHE A 134 -2.012 -1.858 10.551 1.00 0.00 C ATOM 2146 CZ PHE A 134 -1.906 -0.781 11.409 1.00 0.00 C ATOM 0 H PHE A 134 -0.510 -7.090 13.075 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.521 -4.981 14.586 1.00 0.00 H new ATOM 0 HB2 PHE A 134 0.342 -4.567 13.193 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -0.424 -5.279 11.787 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -0.553 -2.347 14.067 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -1.680 -3.949 10.285 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.293 -0.117 13.347 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -2.422 -1.722 9.561 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.234 0.198 11.092 1.00 0.00 H new ATOM 2156 N LEU A 135 -3.427 -5.848 12.039 1.00 0.00 N ATOM 2157 CA LEU A 135 -4.762 -5.703 11.468 1.00 0.00 C ATOM 2158 C LEU A 135 -5.835 -5.892 12.536 1.00 0.00 C ATOM 2159 O LEU A 135 -6.746 -5.076 12.668 1.00 0.00 O ATOM 2160 CB LEU A 135 -4.968 -6.713 10.338 1.00 0.00 C ATOM 2161 CG LEU A 135 -4.102 -6.514 9.094 1.00 0.00 C ATOM 2162 CD1 LEU A 135 -4.144 -7.750 8.210 1.00 0.00 C ATOM 2163 CD2 LEU A 135 -4.556 -5.286 8.319 1.00 0.00 C ATOM 0 H LEU A 135 -2.842 -6.542 11.573 1.00 0.00 H new ATOM 0 HA LEU A 135 -4.850 -4.694 11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -4.779 -7.712 10.732 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.015 -6.682 10.036 1.00 0.00 H new ATOM 0 HG LEU A 135 -3.072 -6.357 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.522 -7.589 7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.769 -8.609 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -5.171 -7.940 7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.928 -5.160 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.594 -5.413 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -4.472 -4.404 8.953 1.00 0.00 H new ATOM 2175 N GLY A 136 -5.718 -6.975 13.300 1.00 0.00 N ATOM 2176 CA GLY A 136 -6.683 -7.251 14.348 1.00 0.00 C ATOM 2177 C GLY A 136 -6.553 -6.299 15.520 1.00 0.00 C ATOM 2178 O GLY A 136 -7.555 -5.838 16.067 1.00 0.00 O ATOM 0 H GLY A 136 -4.972 -7.665 13.211 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.690 -7.182 13.938 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -6.551 -8.275 14.699 1.00 0.00 H new ATOM 2182 N GLU A 137 -5.316 -6.006 15.909 1.00 0.00 N ATOM 2183 CA GLU A 137 -5.060 -5.104 17.026 1.00 0.00 C ATOM 2184 C GLU A 137 -5.836 -3.800 16.862 1.00 0.00 C ATOM 2185 O GLU A 137 -6.603 -3.406 17.740 1.00 0.00 O ATOM 2186 CB GLU A 137 -3.563 -4.809 17.140 1.00 0.00 C ATOM 2187 CG GLU A 137 -2.749 -5.983 17.658 1.00 0.00 C ATOM 2188 CD GLU A 137 -2.895 -6.180 19.154 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -2.366 -5.345 19.917 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -3.540 -7.169 19.562 1.00 0.00 O ATOM 0 H GLU A 137 -4.476 -6.380 15.467 1.00 0.00 H new ATOM 0 HA GLU A 137 -5.397 -5.594 17.939 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -3.183 -4.518 16.161 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.419 -3.957 17.804 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -3.061 -6.892 17.144 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -1.698 -5.826 17.417 1.00 0.00 H new ATOM 2197 N HIS A 138 -5.630 -3.135 15.729 1.00 0.00 N ATOM 2198 CA HIS A 138 -6.309 -1.875 15.449 1.00 0.00 C ATOM 2199 C HIS A 138 -7.614 -2.117 14.696 1.00 0.00 C ATOM 2200 O HIS A 138 -8.691 -1.763 15.172 1.00 0.00 O ATOM 2201 CB HIS A 138 -5.401 -0.952 14.635 1.00 0.00 C ATOM 2202 CG HIS A 138 -4.134 -0.582 15.343 1.00 0.00 C ATOM 2203 ND1 HIS A 138 -3.844 0.706 15.742 1.00 0.00 N ATOM 2204 CD2 HIS A 138 -3.079 -1.339 15.724 1.00 0.00 C ATOM 2205 CE1 HIS A 138 -2.665 0.724 16.337 1.00 0.00 C ATOM 2206 NE2 HIS A 138 -2.180 -0.504 16.340 1.00 0.00 N ATOM 0 H HIS A 138 -4.999 -3.448 14.991 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.542 -1.397 16.400 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -5.152 -1.440 13.693 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -5.949 -0.042 14.388 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -2.965 -2.402 15.572 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -2.180 1.596 16.751 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -1.283 -0.786 16.736 1.00 0.00 H new ATOM 2215 N GLY A 139 -7.508 -2.723 13.517 1.00 0.00 N ATOM 2216 CA GLY A 139 -8.687 -3.001 12.718 1.00 0.00 C ATOM 2217 C GLY A 139 -8.760 -2.139 11.473 1.00 0.00 C ATOM 2218 O GLY A 139 -8.244 -1.022 11.454 1.00 0.00 O ATOM 0 H GLY A 139 -6.627 -3.026 13.101 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -8.687 -4.052 12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -9.579 -2.837 13.323 1.00 0.00 H new ATOM 2222 N GLN A 140 -9.401 -2.659 10.432 1.00 0.00 N ATOM 2223 CA GLN A 140 -9.537 -1.928 9.177 1.00 0.00 C ATOM 2224 C GLN A 140 -10.312 -0.631 9.384 1.00 0.00 C ATOM 2225 O GLN A 140 -10.958 -0.438 10.415 1.00 0.00 O ATOM 2226 CB GLN A 140 -10.242 -2.795 8.132 1.00 0.00 C ATOM 2227 CG GLN A 140 -9.973 -2.361 6.700 1.00 0.00 C ATOM 2228 CD GLN A 140 -10.532 -3.334 5.680 1.00 0.00 C ATOM 2229 OE1 GLN A 140 -11.446 -4.104 5.976 1.00 0.00 O ATOM 2230 NE2 GLN A 140 -9.984 -3.304 4.471 1.00 0.00 N ATOM 0 H GLN A 140 -9.834 -3.582 10.432 1.00 0.00 H new ATOM 0 HA GLN A 140 -8.538 -1.680 8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -9.923 -3.830 8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -11.316 -2.769 8.315 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -10.410 -1.376 6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -8.898 -2.262 6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -9.228 -2.649 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -10.319 -3.936 3.744 1.00 0.00 H new ATOM 2239 N LEU A 141 -10.242 0.257 8.398 1.00 0.00 N ATOM 2240 CA LEU A 141 -10.937 1.538 8.471 1.00 0.00 C ATOM 2241 C LEU A 141 -12.439 1.334 8.641 1.00 0.00 C ATOM 2242 O LEU A 141 -12.939 0.213 8.539 1.00 0.00 O ATOM 2243 CB LEU A 141 -10.661 2.362 7.213 1.00 0.00 C ATOM 2244 CG LEU A 141 -9.388 3.209 7.230 1.00 0.00 C ATOM 2245 CD1 LEU A 141 -8.155 2.319 7.192 1.00 0.00 C ATOM 2246 CD2 LEU A 141 -9.380 4.184 6.062 1.00 0.00 C ATOM 0 H LEU A 141 -9.711 0.114 7.539 1.00 0.00 H new ATOM 0 HA LEU A 141 -10.562 2.078 9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -10.610 1.683 6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -11.511 3.023 7.042 1.00 0.00 H new ATOM 0 HG LEU A 141 -9.369 3.783 8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -7.258 2.939 7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -8.154 1.661 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -8.168 1.718 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -8.467 4.778 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -9.423 3.629 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -10.245 4.844 6.133 1.00 0.00 H new ATOM 2258 N ASP A 142 -13.153 2.424 8.898 1.00 0.00 N ATOM 2259 CA ASP A 142 -14.599 2.365 9.078 1.00 0.00 C ATOM 2260 C ASP A 142 -14.962 1.507 10.286 1.00 0.00 C ATOM 2261 O ASP A 142 -15.999 0.846 10.301 1.00 0.00 O ATOM 2262 CB ASP A 142 -15.269 1.808 7.821 1.00 0.00 C ATOM 2263 CG ASP A 142 -16.664 2.365 7.613 1.00 0.00 C ATOM 2264 OD1 ASP A 142 -16.793 3.595 7.442 1.00 0.00 O ATOM 2265 OD2 ASP A 142 -17.627 1.570 7.621 1.00 0.00 O ATOM 0 H ASP A 142 -12.755 3.359 8.986 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.960 3.378 9.253 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -14.654 2.041 6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -15.322 0.722 7.892 1.00 0.00 H new ATOM 2270 N GLY A 143 -14.099 1.522 11.297 1.00 0.00 N ATOM 2271 CA GLY A 143 -14.345 0.741 12.495 1.00 0.00 C ATOM 2272 C GLY A 143 -13.818 -0.676 12.382 1.00 0.00 C ATOM 2273 O GLY A 143 -12.607 -0.900 12.418 1.00 0.00 O ATOM 0 H GLY A 143 -13.233 2.061 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -13.877 1.232 13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -15.417 0.712 12.692 1.00 0.00 H new ATOM 2277 N LEU A 144 -14.727 -1.635 12.245 1.00 0.00 N ATOM 2278 CA LEU A 144 -14.347 -3.038 12.128 1.00 0.00 C ATOM 2279 C LEU A 144 -14.659 -3.573 10.734 1.00 0.00 C ATOM 2280 O LEU A 144 -15.514 -3.036 10.030 1.00 0.00 O ATOM 2281 CB LEU A 144 -15.075 -3.874 13.182 1.00 0.00 C ATOM 2282 CG LEU A 144 -16.591 -3.690 13.254 1.00 0.00 C ATOM 2283 CD1 LEU A 144 -17.285 -4.573 12.228 1.00 0.00 C ATOM 2284 CD2 LEU A 144 -17.100 -3.997 14.655 1.00 0.00 C ATOM 0 H LEU A 144 -15.732 -1.466 12.212 1.00 0.00 H new ATOM 0 HA LEU A 144 -13.272 -3.112 12.293 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -14.865 -4.926 12.990 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -14.654 -3.638 14.159 1.00 0.00 H new ATOM 0 HG LEU A 144 -16.823 -2.650 13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -18.363 -4.429 12.294 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -16.944 -4.306 11.228 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -17.046 -5.618 12.426 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -18.181 -3.861 14.687 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -16.856 -5.028 14.913 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -16.628 -3.323 15.370 1.00 0.00 H new ATOM 2296 N SER A 145 -13.961 -4.634 10.342 1.00 0.00 N ATOM 2297 CA SER A 145 -14.163 -5.240 9.031 1.00 0.00 C ATOM 2298 C SER A 145 -15.625 -5.143 8.607 1.00 0.00 C ATOM 2299 O SER A 145 -15.944 -4.571 7.565 1.00 0.00 O ATOM 2300 CB SER A 145 -13.722 -6.705 9.050 1.00 0.00 C ATOM 2301 OG SER A 145 -12.316 -6.816 8.908 1.00 0.00 O ATOM 0 H SER A 145 -13.251 -5.092 10.913 1.00 0.00 H new ATOM 0 HA SER A 145 -13.556 -4.694 8.308 1.00 0.00 H new ATOM 0 HB2 SER A 145 -14.034 -7.170 9.985 1.00 0.00 H new ATOM 0 HB3 SER A 145 -14.216 -7.247 8.244 1.00 0.00 H new ATOM 0 HG SER A 145 -12.059 -7.762 8.925 1.00 0.00 H new ATOM 2307 N SER A 146 -16.510 -5.707 9.423 1.00 0.00 N ATOM 2308 CA SER A 146 -17.939 -5.688 9.131 1.00 0.00 C ATOM 2309 C SER A 146 -18.234 -6.396 7.813 1.00 0.00 C ATOM 2310 O SER A 146 -19.069 -5.948 7.028 1.00 0.00 O ATOM 2311 CB SER A 146 -18.450 -4.247 9.075 1.00 0.00 C ATOM 2312 OG SER A 146 -19.861 -4.201 9.208 1.00 0.00 O ATOM 0 H SER A 146 -16.263 -6.182 10.291 1.00 0.00 H new ATOM 0 HA SER A 146 -18.455 -6.218 9.931 1.00 0.00 H new ATOM 0 HB2 SER A 146 -17.987 -3.662 9.870 1.00 0.00 H new ATOM 0 HB3 SER A 146 -18.155 -3.790 8.130 1.00 0.00 H new ATOM 0 HG SER A 146 -20.271 -4.798 8.548 1.00 0.00 H new ATOM 2318 N SER A 147 -17.541 -7.506 7.576 1.00 0.00 N ATOM 2319 CA SER A 147 -17.724 -8.275 6.351 1.00 0.00 C ATOM 2320 C SER A 147 -17.430 -9.753 6.589 1.00 0.00 C ATOM 2321 O SER A 147 -16.508 -10.103 7.324 1.00 0.00 O ATOM 2322 CB SER A 147 -16.817 -7.735 5.244 1.00 0.00 C ATOM 2323 OG SER A 147 -17.357 -8.010 3.963 1.00 0.00 O ATOM 0 H SER A 147 -16.848 -7.892 8.217 1.00 0.00 H new ATOM 0 HA SER A 147 -18.764 -8.174 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 147 -16.691 -6.659 5.366 1.00 0.00 H new ATOM 0 HB3 SER A 147 -15.827 -8.184 5.329 1.00 0.00 H new ATOM 0 HG SER A 147 -16.760 -7.653 3.273 1.00 0.00 H new ATOM 2329 N SER A 148 -18.222 -10.616 5.960 1.00 0.00 N ATOM 2330 CA SER A 148 -18.050 -12.057 6.105 1.00 0.00 C ATOM 2331 C SER A 148 -17.119 -12.604 5.028 1.00 0.00 C ATOM 2332 O SER A 148 -16.132 -13.275 5.327 1.00 0.00 O ATOM 2333 CB SER A 148 -19.405 -12.763 6.031 1.00 0.00 C ATOM 2334 OG SER A 148 -20.038 -12.787 7.298 1.00 0.00 O ATOM 0 H SER A 148 -18.989 -10.342 5.345 1.00 0.00 H new ATOM 0 HA SER A 148 -17.601 -12.249 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 148 -20.045 -12.253 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 148 -19.268 -13.782 5.670 1.00 0.00 H new ATOM 0 HG SER A 148 -20.903 -13.242 7.223 1.00 0.00 H new ATOM 2340 N GLY A 149 -17.441 -12.312 3.771 1.00 0.00 N ATOM 2341 CA GLY A 149 -16.625 -12.782 2.668 1.00 0.00 C ATOM 2342 C GLY A 149 -16.507 -14.293 2.635 1.00 0.00 C ATOM 2343 O GLY A 149 -15.962 -14.915 3.548 1.00 0.00 O ATOM 0 H GLY A 149 -18.253 -11.758 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -17.054 -12.434 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -15.630 -12.345 2.745 1.00 0.00 H new ATOM 2347 N PRO A 150 -17.030 -14.908 1.564 1.00 0.00 N ATOM 2348 CA PRO A 150 -16.995 -16.364 1.391 1.00 0.00 C ATOM 2349 C PRO A 150 -15.586 -16.882 1.124 1.00 0.00 C ATOM 2350 O PRO A 150 -15.154 -16.968 -0.025 1.00 0.00 O ATOM 2351 CB PRO A 150 -17.891 -16.598 0.173 1.00 0.00 C ATOM 2352 CG PRO A 150 -17.836 -15.319 -0.589 1.00 0.00 C ATOM 2353 CD PRO A 150 -17.695 -14.230 0.438 1.00 0.00 C ATOM 0 HA PRO A 150 -17.325 -16.889 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -17.531 -17.433 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -18.912 -16.837 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -16.994 -15.313 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -18.739 -15.180 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -17.100 -13.398 0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -18.664 -13.824 0.729 1.00 0.00 H new ATOM 2361 N SER A 151 -14.874 -17.226 2.193 1.00 0.00 N ATOM 2362 CA SER A 151 -13.512 -17.733 2.073 1.00 0.00 C ATOM 2363 C SER A 151 -13.264 -18.864 3.067 1.00 0.00 C ATOM 2364 O SER A 151 -14.126 -19.186 3.885 1.00 0.00 O ATOM 2365 CB SER A 151 -12.504 -16.606 2.304 1.00 0.00 C ATOM 2366 OG SER A 151 -12.370 -16.316 3.685 1.00 0.00 O ATOM 0 H SER A 151 -15.218 -17.163 3.151 1.00 0.00 H new ATOM 0 HA SER A 151 -13.384 -18.125 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 151 -11.535 -16.891 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 151 -12.826 -15.711 1.771 1.00 0.00 H new ATOM 0 HG SER A 151 -11.719 -15.594 3.806 1.00 0.00 H new ATOM 2372 N SER A 152 -12.080 -19.463 2.988 1.00 0.00 N ATOM 2373 CA SER A 152 -11.719 -20.561 3.878 1.00 0.00 C ATOM 2374 C SER A 152 -11.180 -20.031 5.203 1.00 0.00 C ATOM 2375 O SER A 152 -11.303 -20.682 6.240 1.00 0.00 O ATOM 2376 CB SER A 152 -10.675 -21.461 3.213 1.00 0.00 C ATOM 2377 OG SER A 152 -9.405 -20.833 3.182 1.00 0.00 O ATOM 0 H SER A 152 -11.355 -19.207 2.318 1.00 0.00 H new ATOM 0 HA SER A 152 -12.617 -21.145 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 152 -10.605 -22.404 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 152 -10.991 -21.700 2.198 1.00 0.00 H new ATOM 0 HG SER A 152 -8.756 -21.429 2.754 1.00 0.00 H new ATOM 2383 N GLY A 153 -10.582 -18.844 5.160 1.00 0.00 N ATOM 2384 CA GLY A 153 -10.033 -18.247 6.363 1.00 0.00 C ATOM 2385 C GLY A 153 -11.048 -18.166 7.486 1.00 0.00 C ATOM 2386 O GLY A 153 -12.140 -17.627 7.307 1.00 0.00 O ATOM 0 H GLY A 153 -10.468 -18.286 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.174 -18.831 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.669 -17.246 6.134 1.00 0.00 H new TER 2390 GLY A 153