USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN : amide:sc= -0.395 X(o=-0.71,f=-0.32) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 152:sc= -0.317 (180deg=-1.05) USER MOD Set 2.1: A 10 THR OG1 : rot -71:sc= 0.276 USER MOD Set 2.2: A 13 THR OG1 : rot 180:sc= 0.27 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 12 ASN :FLIP amide:sc= -1.02! C(o=-4!,f=-1!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.133 USER MOD Single : A 23 GLN :FLIP amide:sc= -1.29 F(o=-2.2!,f=-1.3) USER MOD Single : A 25 SER OG : rot 180:sc= -0.996 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0806 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot -9:sc= -0.157 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -66:sc= -1.52! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0354 USER MOD Single : A 50 CYS SG : rot 10:sc= 0.988 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 160:sc= -0.0373 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.748 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 70 GLN : amide:sc=-0.00178 K(o=-0.0018,f=-0.71) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -153:sc= -0.266 (180deg=-1.37) USER MOD Single : A 78 HIS : no HD1:sc=-0.00559 X(o=-0.0056,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 27:sc= 1.02 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.154 17.776 3.871 1.00 0.00 N ATOM 2 CA GLY A 1 -17.832 19.109 4.347 1.00 0.00 C ATOM 3 C GLY A 1 -16.961 19.086 5.589 1.00 0.00 C ATOM 4 O GLY A 1 -17.441 19.332 6.696 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.750 17.845 3.022 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.276 17.269 3.638 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.667 17.257 4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.320 19.660 3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.755 19.647 4.564 1.00 0.00 H new ATOM 8 N SER A 2 -15.680 18.789 5.405 1.00 0.00 N ATOM 9 CA SER A 2 -14.741 18.730 6.520 1.00 0.00 C ATOM 10 C SER A 2 -13.523 19.609 6.253 1.00 0.00 C ATOM 11 O SER A 2 -13.227 19.946 5.107 1.00 0.00 O ATOM 12 CB SER A 2 -14.300 17.287 6.766 1.00 0.00 C ATOM 13 OG SER A 2 -13.651 17.158 8.019 1.00 0.00 O ATOM 0 H SER A 2 -15.267 18.585 4.495 1.00 0.00 H new ATOM 0 HA SER A 2 -15.248 19.104 7.410 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.167 16.628 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.627 16.969 5.970 1.00 0.00 H new ATOM 0 HG SER A 2 -13.380 16.226 8.153 1.00 0.00 H new ATOM 19 N SER A 3 -12.820 19.975 7.319 1.00 0.00 N ATOM 20 CA SER A 3 -11.635 20.817 7.202 1.00 0.00 C ATOM 21 C SER A 3 -10.376 20.039 7.573 1.00 0.00 C ATOM 22 O SER A 3 -10.442 19.023 8.263 1.00 0.00 O ATOM 23 CB SER A 3 -11.769 22.051 8.096 1.00 0.00 C ATOM 24 OG SER A 3 -11.708 21.696 9.467 1.00 0.00 O ATOM 0 H SER A 3 -13.050 19.702 8.274 1.00 0.00 H new ATOM 0 HA SER A 3 -11.549 21.138 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.974 22.760 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.714 22.553 7.889 1.00 0.00 H new ATOM 0 HG SER A 3 -11.794 22.502 10.018 1.00 0.00 H new ATOM 30 N GLY A 4 -9.228 20.527 7.112 1.00 0.00 N ATOM 31 CA GLY A 4 -7.970 19.866 7.406 1.00 0.00 C ATOM 32 C GLY A 4 -6.887 20.211 6.403 1.00 0.00 C ATOM 33 O GLY A 4 -6.772 19.570 5.358 1.00 0.00 O ATOM 0 H GLY A 4 -9.147 21.368 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.639 20.149 8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.123 18.787 7.414 1.00 0.00 H new ATOM 37 N SER A 5 -6.090 21.227 6.720 1.00 0.00 N ATOM 38 CA SER A 5 -5.014 21.659 5.836 1.00 0.00 C ATOM 39 C SER A 5 -3.702 20.973 6.203 1.00 0.00 C ATOM 40 O SER A 5 -3.292 20.972 7.364 1.00 0.00 O ATOM 41 CB SER A 5 -4.846 23.178 5.908 1.00 0.00 C ATOM 42 OG SER A 5 -4.793 23.747 4.611 1.00 0.00 O ATOM 0 H SER A 5 -6.169 21.766 7.582 1.00 0.00 H new ATOM 0 HA SER A 5 -5.278 21.378 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.675 23.613 6.466 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.934 23.421 6.453 1.00 0.00 H new ATOM 0 HG SER A 5 -4.687 24.719 4.684 1.00 0.00 H new ATOM 48 N SER A 6 -3.046 20.390 5.204 1.00 0.00 N ATOM 49 CA SER A 6 -1.782 19.697 5.420 1.00 0.00 C ATOM 50 C SER A 6 -0.616 20.510 4.866 1.00 0.00 C ATOM 51 O SER A 6 -0.390 20.548 3.657 1.00 0.00 O ATOM 52 CB SER A 6 -1.815 18.316 4.763 1.00 0.00 C ATOM 53 OG SER A 6 -0.765 17.496 5.247 1.00 0.00 O ATOM 0 H SER A 6 -3.370 20.384 4.237 1.00 0.00 H new ATOM 0 HA SER A 6 -1.640 19.577 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.775 17.838 4.961 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.729 18.422 3.682 1.00 0.00 H new ATOM 0 HG SER A 6 -0.809 16.618 4.813 1.00 0.00 H new ATOM 59 N GLY A 7 0.125 21.158 5.761 1.00 0.00 N ATOM 60 CA GLY A 7 1.259 21.960 5.343 1.00 0.00 C ATOM 61 C GLY A 7 2.227 22.230 6.477 1.00 0.00 C ATOM 62 O GLY A 7 2.256 23.330 7.030 1.00 0.00 O ATOM 0 H GLY A 7 -0.041 21.141 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.783 21.449 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.901 22.908 4.941 1.00 0.00 H new ATOM 66 N ILE A 8 3.021 21.224 6.828 1.00 0.00 N ATOM 67 CA ILE A 8 3.994 21.358 7.904 1.00 0.00 C ATOM 68 C ILE A 8 5.387 20.944 7.441 1.00 0.00 C ATOM 69 O ILE A 8 5.693 19.755 7.345 1.00 0.00 O ATOM 70 CB ILE A 8 3.600 20.512 9.128 1.00 0.00 C ATOM 71 CG1 ILE A 8 2.401 19.622 8.796 1.00 0.00 C ATOM 72 CG2 ILE A 8 3.286 21.411 10.315 1.00 0.00 C ATOM 73 CD1 ILE A 8 2.201 18.486 9.775 1.00 0.00 C ATOM 0 H ILE A 8 3.009 20.307 6.382 1.00 0.00 H new ATOM 0 HA ILE A 8 4.006 22.410 8.189 1.00 0.00 H new ATOM 0 HB ILE A 8 4.441 19.872 9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.500 20.234 8.774 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.531 19.210 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.009 20.798 11.173 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.165 22.006 10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.459 22.074 10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.333 17.897 9.477 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.086 17.850 9.780 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.039 18.891 10.774 1.00 0.00 H new ATOM 85 N LEU A 9 6.228 21.931 7.157 1.00 0.00 N ATOM 86 CA LEU A 9 7.591 21.671 6.706 1.00 0.00 C ATOM 87 C LEU A 9 8.315 22.972 6.378 1.00 0.00 C ATOM 88 O LEU A 9 7.790 24.062 6.608 1.00 0.00 O ATOM 89 CB LEU A 9 7.577 20.759 5.477 1.00 0.00 C ATOM 90 CG LEU A 9 6.365 20.895 4.555 1.00 0.00 C ATOM 91 CD1 LEU A 9 6.807 20.999 3.104 1.00 0.00 C ATOM 92 CD2 LEU A 9 5.416 19.720 4.742 1.00 0.00 C ATOM 0 H LEU A 9 5.990 22.920 7.231 1.00 0.00 H new ATOM 0 HA LEU A 9 8.126 21.174 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.476 20.955 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.636 19.725 5.816 1.00 0.00 H new ATOM 0 HG LEU A 9 5.834 21.810 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.931 21.095 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.445 21.874 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.362 20.103 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.560 19.835 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.936 18.791 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.072 19.691 5.776 1.00 0.00 H new ATOM 104 N THR A 10 9.524 22.851 5.838 1.00 0.00 N ATOM 105 CA THR A 10 10.321 24.018 5.478 1.00 0.00 C ATOM 106 C THR A 10 10.367 24.207 3.966 1.00 0.00 C ATOM 107 O THR A 10 10.355 25.333 3.472 1.00 0.00 O ATOM 108 CB THR A 10 11.760 23.902 6.014 1.00 0.00 C ATOM 109 OG1 THR A 10 12.308 22.623 5.676 1.00 0.00 O ATOM 110 CG2 THR A 10 11.792 24.091 7.524 1.00 0.00 C ATOM 0 H THR A 10 9.973 21.957 5.640 1.00 0.00 H new ATOM 0 HA THR A 10 9.840 24.883 5.935 1.00 0.00 H new ATOM 0 HB THR A 10 12.360 24.686 5.553 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.876 21.929 6.216 1.00 0.00 H new ATOM 0 HG21 THR A 10 12.819 24.005 7.880 1.00 0.00 H new ATOM 0 HG22 THR A 10 11.402 25.077 7.776 1.00 0.00 H new ATOM 0 HG23 THR A 10 11.178 23.326 7.999 1.00 0.00 H new ATOM 118 N GLU A 11 10.418 23.096 3.238 1.00 0.00 N ATOM 119 CA GLU A 11 10.465 23.141 1.780 1.00 0.00 C ATOM 120 C GLU A 11 10.550 21.735 1.196 1.00 0.00 C ATOM 121 O GLU A 11 10.080 21.484 0.086 1.00 0.00 O ATOM 122 CB GLU A 11 11.663 23.972 1.312 1.00 0.00 C ATOM 123 CG GLU A 11 12.996 23.473 1.842 1.00 0.00 C ATOM 124 CD GLU A 11 14.173 23.985 1.037 1.00 0.00 C ATOM 125 OE1 GLU A 11 14.351 23.529 -0.112 1.00 0.00 O ATOM 126 OE2 GLU A 11 14.918 24.844 1.555 1.00 0.00 O ATOM 0 H GLU A 11 10.428 22.155 3.632 1.00 0.00 H new ATOM 0 HA GLU A 11 9.546 23.609 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.692 23.970 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.521 25.006 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.109 23.784 2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.001 22.383 1.833 1.00 0.00 H new ATOM 133 N ASN A 12 11.153 20.821 1.949 1.00 0.00 N ATOM 134 CA ASN A 12 11.300 19.440 1.506 1.00 0.00 C ATOM 135 C ASN A 12 11.562 18.513 2.690 1.00 0.00 C ATOM 136 O ASN A 12 12.071 17.403 2.524 1.00 0.00 O ATOM 137 CB ASN A 12 12.441 19.327 0.492 1.00 0.00 C ATOM 138 CG ASN A 12 13.803 19.280 1.158 1.00 0.00 C ATOM 139 OD1 ASN A 12 13.885 19.808 2.374 1.00 0.00 O flip ATOM 140 ND2 ASN A 12 14.769 18.774 0.587 1.00 0.00 N flip ATOM 0 H ASN A 12 11.548 21.012 2.870 1.00 0.00 H new ATOM 0 HA ASN A 12 10.368 19.136 1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.302 18.428 -0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.402 20.176 -0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 12 14.660 18.380 -0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.678 18.749 1.048 1.00 0.00 H new ATOM 147 N THR A 13 11.211 18.976 3.886 1.00 0.00 N ATOM 148 CA THR A 13 11.409 18.190 5.097 1.00 0.00 C ATOM 149 C THR A 13 10.880 16.771 4.923 1.00 0.00 C ATOM 150 O THR A 13 9.754 16.551 4.476 1.00 0.00 O ATOM 151 CB THR A 13 10.712 18.840 6.307 1.00 0.00 C ATOM 152 OG1 THR A 13 11.494 19.937 6.791 1.00 0.00 O ATOM 153 CG2 THR A 13 10.507 17.826 7.422 1.00 0.00 C ATOM 0 H THR A 13 10.788 19.891 4.041 1.00 0.00 H new ATOM 0 HA THR A 13 12.483 18.155 5.280 1.00 0.00 H new ATOM 0 HB THR A 13 9.736 19.204 5.985 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.043 20.346 7.559 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.013 18.308 8.266 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.887 17.006 7.059 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.473 17.436 7.742 1.00 0.00 H new ATOM 161 N PRO A 14 11.711 15.781 5.284 1.00 0.00 N ATOM 162 CA PRO A 14 11.348 14.365 5.178 1.00 0.00 C ATOM 163 C PRO A 14 10.276 13.964 6.186 1.00 0.00 C ATOM 164 O PRO A 14 10.039 14.668 7.168 1.00 0.00 O ATOM 165 CB PRO A 14 12.662 13.639 5.480 1.00 0.00 C ATOM 166 CG PRO A 14 13.442 14.597 6.312 1.00 0.00 C ATOM 167 CD PRO A 14 13.068 15.969 5.824 1.00 0.00 C ATOM 0 HA PRO A 14 10.926 14.125 4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.485 12.705 6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.194 13.386 4.563 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.203 14.480 7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.513 14.424 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.081 16.700 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.759 16.326 5.060 1.00 0.00 H new ATOM 175 N VAL A 15 9.629 12.830 5.936 1.00 0.00 N ATOM 176 CA VAL A 15 8.582 12.336 6.822 1.00 0.00 C ATOM 177 C VAL A 15 8.618 10.815 6.919 1.00 0.00 C ATOM 178 O VAL A 15 9.203 10.142 6.071 1.00 0.00 O ATOM 179 CB VAL A 15 7.186 12.775 6.342 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.175 12.674 7.473 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.236 14.190 5.785 1.00 0.00 C ATOM 0 H VAL A 15 9.812 12.236 5.127 1.00 0.00 H new ATOM 0 HA VAL A 15 8.771 12.766 7.806 1.00 0.00 H new ATOM 0 HB VAL A 15 6.868 12.105 5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.195 12.988 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.120 11.643 7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.484 13.319 8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.241 14.485 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.575 14.875 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.927 14.225 4.943 1.00 0.00 H new ATOM 191 N PHE A 16 7.988 10.278 7.959 1.00 0.00 N ATOM 192 CA PHE A 16 7.948 8.837 8.168 1.00 0.00 C ATOM 193 C PHE A 16 6.565 8.393 8.638 1.00 0.00 C ATOM 194 O PHE A 16 5.993 8.978 9.557 1.00 0.00 O ATOM 195 CB PHE A 16 9.004 8.419 9.194 1.00 0.00 C ATOM 196 CG PHE A 16 9.843 7.255 8.751 1.00 0.00 C ATOM 197 CD1 PHE A 16 9.269 6.011 8.541 1.00 0.00 C ATOM 198 CD2 PHE A 16 11.205 7.403 8.544 1.00 0.00 C ATOM 199 CE1 PHE A 16 10.038 4.937 8.132 1.00 0.00 C ATOM 200 CE2 PHE A 16 11.978 6.333 8.135 1.00 0.00 C ATOM 201 CZ PHE A 16 11.394 5.098 7.931 1.00 0.00 C ATOM 0 H PHE A 16 7.498 10.821 8.670 1.00 0.00 H new ATOM 0 HA PHE A 16 8.163 8.352 7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.655 9.268 9.400 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.508 8.163 10.130 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.209 5.879 8.699 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.668 8.366 8.704 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.578 3.973 7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.038 6.462 7.975 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.997 4.260 7.615 1.00 0.00 H new ATOM 211 N GLU A 17 6.034 7.356 7.996 1.00 0.00 N ATOM 212 CA GLU A 17 4.718 6.836 8.347 1.00 0.00 C ATOM 213 C GLU A 17 4.719 5.310 8.348 1.00 0.00 C ATOM 214 O GLU A 17 5.620 4.679 7.796 1.00 0.00 O ATOM 215 CB GLU A 17 3.663 7.355 7.368 1.00 0.00 C ATOM 216 CG GLU A 17 2.344 7.718 8.031 1.00 0.00 C ATOM 217 CD GLU A 17 2.297 9.165 8.481 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.355 10.059 7.609 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.201 9.405 9.702 1.00 0.00 O ATOM 0 H GLU A 17 6.494 6.861 7.232 1.00 0.00 H new ATOM 0 HA GLU A 17 4.474 7.183 9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.056 8.233 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.481 6.596 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.527 7.532 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.183 7.068 8.891 1.00 0.00 H new ATOM 226 N GLN A 18 3.703 4.723 8.972 1.00 0.00 N ATOM 227 CA GLN A 18 3.588 3.271 9.047 1.00 0.00 C ATOM 228 C GLN A 18 2.173 2.820 8.700 1.00 0.00 C ATOM 229 O GLN A 18 1.192 3.415 9.148 1.00 0.00 O ATOM 230 CB GLN A 18 3.965 2.779 10.445 1.00 0.00 C ATOM 231 CG GLN A 18 5.395 2.275 10.548 1.00 0.00 C ATOM 232 CD GLN A 18 5.576 1.257 11.656 1.00 0.00 C ATOM 233 OE1 GLN A 18 5.271 1.525 12.817 1.00 0.00 O ATOM 234 NE2 GLN A 18 6.077 0.079 11.301 1.00 0.00 N ATOM 0 H GLN A 18 2.948 5.230 9.433 1.00 0.00 H new ATOM 0 HA GLN A 18 4.277 2.839 8.321 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.823 3.592 11.158 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.285 1.978 10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.688 1.828 9.598 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.062 3.119 10.723 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.316 -0.101 10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.222 -0.646 12.004 1.00 0.00 H new ATOM 243 N LEU A 19 2.074 1.763 7.900 1.00 0.00 N ATOM 244 CA LEU A 19 0.778 1.231 7.493 1.00 0.00 C ATOM 245 C LEU A 19 0.729 -0.282 7.678 1.00 0.00 C ATOM 246 O LEU A 19 1.493 -1.019 7.054 1.00 0.00 O ATOM 247 CB LEU A 19 0.494 1.588 6.032 1.00 0.00 C ATOM 248 CG LEU A 19 -0.744 2.448 5.781 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.690 3.720 6.612 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.871 2.781 4.301 1.00 0.00 C ATOM 0 H LEU A 19 2.875 1.258 7.521 1.00 0.00 H new ATOM 0 HA LEU A 19 0.013 1.681 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.362 2.111 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.390 0.662 5.466 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.624 1.879 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.580 4.319 6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.649 3.462 7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.198 4.293 6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.758 3.394 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.013 3.329 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.959 1.859 3.727 1.00 0.00 H new ATOM 262 N SER A 20 -0.177 -0.739 8.537 1.00 0.00 N ATOM 263 CA SER A 20 -0.325 -2.165 8.805 1.00 0.00 C ATOM 264 C SER A 20 -1.338 -2.794 7.853 1.00 0.00 C ATOM 265 O SER A 20 -2.503 -2.400 7.818 1.00 0.00 O ATOM 266 CB SER A 20 -0.762 -2.391 10.253 1.00 0.00 C ATOM 267 OG SER A 20 -2.132 -2.741 10.324 1.00 0.00 O ATOM 0 H SER A 20 -0.819 -0.143 9.059 1.00 0.00 H new ATOM 0 HA SER A 20 0.642 -2.641 8.646 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.158 -3.181 10.699 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.584 -1.487 10.835 1.00 0.00 H new ATOM 0 HG SER A 20 -2.386 -2.881 11.260 1.00 0.00 H new ATOM 273 N VAL A 21 -0.884 -3.776 7.080 1.00 0.00 N ATOM 274 CA VAL A 21 -1.748 -4.462 6.128 1.00 0.00 C ATOM 275 C VAL A 21 -1.721 -5.970 6.347 1.00 0.00 C ATOM 276 O VAL A 21 -0.726 -6.539 6.799 1.00 0.00 O ATOM 277 CB VAL A 21 -1.337 -4.158 4.675 1.00 0.00 C ATOM 278 CG1 VAL A 21 -1.088 -2.668 4.491 1.00 0.00 C ATOM 279 CG2 VAL A 21 -0.104 -4.964 4.291 1.00 0.00 C ATOM 0 H VAL A 21 0.078 -4.114 7.095 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.759 -4.092 6.297 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.154 -4.450 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.799 -2.472 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.998 -2.116 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.288 -2.348 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.173 -4.737 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.721 -4.705 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.322 -6.028 4.382 1.00 0.00 H new ATOM 289 N PRO A 22 -2.838 -6.637 6.019 1.00 0.00 N ATOM 290 CA PRO A 22 -2.967 -8.089 6.172 1.00 0.00 C ATOM 291 C PRO A 22 -2.101 -8.854 5.176 1.00 0.00 C ATOM 292 O PRO A 22 -1.956 -8.448 4.024 1.00 0.00 O ATOM 293 CB PRO A 22 -4.451 -8.344 5.897 1.00 0.00 C ATOM 294 CG PRO A 22 -4.876 -7.207 5.034 1.00 0.00 C ATOM 295 CD PRO A 22 -4.061 -6.024 5.475 1.00 0.00 C ATOM 0 HA PRO A 22 -2.638 -8.427 7.155 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.602 -9.300 5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.026 -8.375 6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.702 -7.430 3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.942 -7.010 5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.840 -5.356 4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.584 -5.434 6.228 1.00 0.00 H new ATOM 303 N GLN A 23 -1.529 -9.965 5.629 1.00 0.00 N ATOM 304 CA GLN A 23 -0.677 -10.787 4.777 1.00 0.00 C ATOM 305 C GLN A 23 -1.461 -11.335 3.590 1.00 0.00 C ATOM 306 O GLN A 23 -0.882 -11.873 2.646 1.00 0.00 O ATOM 307 CB GLN A 23 -0.076 -11.941 5.583 1.00 0.00 C ATOM 308 CG GLN A 23 -1.044 -13.092 5.810 1.00 0.00 C ATOM 309 CD GLN A 23 -0.345 -14.363 6.251 1.00 0.00 C ATOM 310 OE1 GLN A 23 0.397 -14.282 7.349 1.00 0.00 O flip ATOM 311 NE2 GLN A 23 -0.471 -15.408 5.612 1.00 0.00 N flip ATOM 0 H GLN A 23 -1.640 -10.316 6.580 1.00 0.00 H new ATOM 0 HA GLN A 23 0.129 -10.159 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.806 -12.316 5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.259 -11.563 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.775 -12.803 6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.595 -13.285 4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.051 -15.426 4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.005 -16.256 5.921 1.00 0.00 H new ATOM 320 N ARG A 24 -2.781 -11.193 3.643 1.00 0.00 N ATOM 321 CA ARG A 24 -3.645 -11.675 2.572 1.00 0.00 C ATOM 322 C ARG A 24 -3.735 -10.650 1.445 1.00 0.00 C ATOM 323 O ARG A 24 -4.025 -10.996 0.299 1.00 0.00 O ATOM 324 CB ARG A 24 -5.043 -11.979 3.113 1.00 0.00 C ATOM 325 CG ARG A 24 -5.845 -10.735 3.458 1.00 0.00 C ATOM 326 CD ARG A 24 -6.500 -10.857 4.826 1.00 0.00 C ATOM 327 NE ARG A 24 -7.296 -9.678 5.158 1.00 0.00 N ATOM 328 CZ ARG A 24 -8.167 -9.639 6.161 1.00 0.00 C ATOM 329 NH1 ARG A 24 -8.351 -10.707 6.925 1.00 0.00 N ATOM 330 NH2 ARG A 24 -8.856 -8.530 6.400 1.00 0.00 N ATOM 0 H ARG A 24 -3.276 -10.748 4.416 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.211 -12.592 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.592 -12.561 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.952 -12.601 4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.191 -9.863 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.611 -10.572 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.137 -11.742 4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.731 -11.001 5.585 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.177 -8.840 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.823 -11.561 6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.020 -10.675 7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.717 -7.707 5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.524 -8.501 7.170 1.00 0.00 H new ATOM 344 N SER A 25 -3.485 -9.388 1.777 1.00 0.00 N ATOM 345 CA SER A 25 -3.543 -8.312 0.795 1.00 0.00 C ATOM 346 C SER A 25 -2.145 -7.790 0.479 1.00 0.00 C ATOM 347 O SER A 25 -1.953 -7.033 -0.472 1.00 0.00 O ATOM 348 CB SER A 25 -4.423 -7.171 1.307 1.00 0.00 C ATOM 349 OG SER A 25 -5.584 -7.670 1.948 1.00 0.00 O ATOM 0 H SER A 25 -3.240 -9.085 2.720 1.00 0.00 H new ATOM 0 HA SER A 25 -3.978 -8.712 -0.121 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.855 -6.555 2.004 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.711 -6.528 0.475 1.00 0.00 H new ATOM 0 HG SER A 25 -6.129 -6.921 2.268 1.00 0.00 H new ATOM 355 N VAL A 26 -1.171 -8.199 1.285 1.00 0.00 N ATOM 356 CA VAL A 26 0.211 -7.775 1.093 1.00 0.00 C ATOM 357 C VAL A 26 0.756 -8.267 -0.242 1.00 0.00 C ATOM 358 O VAL A 26 1.783 -7.786 -0.722 1.00 0.00 O ATOM 359 CB VAL A 26 1.119 -8.286 2.226 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.500 -9.740 1.990 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.359 -7.415 2.351 1.00 0.00 C ATOM 0 H VAL A 26 -1.313 -8.824 2.078 1.00 0.00 H new ATOM 0 HA VAL A 26 0.211 -6.685 1.103 1.00 0.00 H new ATOM 0 HB VAL A 26 0.567 -8.227 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.142 -10.084 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.598 -10.352 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.033 -9.827 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.989 -7.792 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.916 -7.438 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.063 -6.389 2.571 1.00 0.00 H new ATOM 371 N GLY A 27 0.062 -9.232 -0.839 1.00 0.00 N ATOM 372 CA GLY A 27 0.492 -9.774 -2.115 1.00 0.00 C ATOM 373 C GLY A 27 0.157 -8.860 -3.277 1.00 0.00 C ATOM 374 O GLY A 27 0.781 -8.936 -4.335 1.00 0.00 O ATOM 0 H GLY A 27 -0.790 -9.648 -0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.568 -9.944 -2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.020 -10.744 -2.272 1.00 0.00 H new ATOM 378 N ARG A 28 -0.833 -7.996 -3.080 1.00 0.00 N ATOM 379 CA ARG A 28 -1.252 -7.065 -4.122 1.00 0.00 C ATOM 380 C ARG A 28 -0.544 -5.723 -3.969 1.00 0.00 C ATOM 381 O ARG A 28 -0.374 -4.986 -4.940 1.00 0.00 O ATOM 382 CB ARG A 28 -2.768 -6.863 -4.075 1.00 0.00 C ATOM 383 CG ARG A 28 -3.337 -6.223 -5.331 1.00 0.00 C ATOM 384 CD ARG A 28 -3.946 -7.263 -6.258 1.00 0.00 C ATOM 385 NE ARG A 28 -3.060 -7.593 -7.370 1.00 0.00 N ATOM 386 CZ ARG A 28 -3.456 -8.248 -8.457 1.00 0.00 C ATOM 387 NH1 ARG A 28 -4.716 -8.642 -8.575 1.00 0.00 N ATOM 388 NH2 ARG A 28 -2.589 -8.511 -9.427 1.00 0.00 N ATOM 0 H ARG A 28 -1.360 -7.921 -2.210 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.979 -7.492 -5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.250 -7.828 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.016 -6.240 -3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.096 -5.490 -5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.548 -5.684 -5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.168 -8.167 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.893 -6.890 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.083 -7.305 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.384 -8.443 -7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.017 -9.144 -9.410 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.618 -8.211 -9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.893 -9.014 -10.261 1.00 0.00 H new ATOM 402 N ILE A 29 -0.134 -5.412 -2.743 1.00 0.00 N ATOM 403 CA ILE A 29 0.556 -4.159 -2.464 1.00 0.00 C ATOM 404 C ILE A 29 2.027 -4.242 -2.856 1.00 0.00 C ATOM 405 O ILE A 29 2.577 -3.310 -3.443 1.00 0.00 O ATOM 406 CB ILE A 29 0.454 -3.780 -0.975 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.011 -3.768 -0.529 1.00 0.00 C ATOM 408 CG2 ILE A 29 1.099 -2.425 -0.728 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.195 -4.055 0.945 1.00 0.00 C ATOM 0 H ILE A 29 -0.268 -6.011 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 29 0.066 -3.390 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 29 0.988 -4.527 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.445 -2.795 -0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.565 -4.508 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.019 -2.171 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.150 -2.465 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.591 -1.666 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.257 -4.031 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.792 -5.041 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.670 -3.301 1.531 1.00 0.00 H new ATOM 421 N ILE A 30 2.658 -5.365 -2.529 1.00 0.00 N ATOM 422 CA ILE A 30 4.065 -5.571 -2.849 1.00 0.00 C ATOM 423 C ILE A 30 4.228 -6.208 -4.225 1.00 0.00 C ATOM 424 O ILE A 30 5.193 -5.935 -4.937 1.00 0.00 O ATOM 425 CB ILE A 30 4.757 -6.459 -1.799 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.720 -5.787 -0.426 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.192 -6.749 -2.214 1.00 0.00 C ATOM 428 CD1 ILE A 30 5.619 -6.448 0.595 1.00 0.00 C ATOM 0 H ILE A 30 2.217 -6.146 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 30 4.536 -4.588 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 30 4.219 -7.405 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.013 -4.743 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.695 -5.794 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.668 -7.378 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.196 -7.265 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.741 -5.812 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.542 -5.919 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.313 -7.485 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.651 -6.417 0.245 1.00 0.00 H new ATOM 440 N GLY A 31 3.275 -7.058 -4.594 1.00 0.00 N ATOM 441 CA GLY A 31 3.329 -7.721 -5.884 1.00 0.00 C ATOM 442 C GLY A 31 3.883 -9.129 -5.790 1.00 0.00 C ATOM 443 O GLY A 31 3.666 -9.824 -4.797 1.00 0.00 O ATOM 0 H GLY A 31 2.466 -7.300 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.328 -7.756 -6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.947 -7.135 -6.564 1.00 0.00 H new ATOM 447 N ARG A 32 4.600 -9.551 -6.826 1.00 0.00 N ATOM 448 CA ARG A 32 5.184 -10.887 -6.858 1.00 0.00 C ATOM 449 C ARG A 32 6.568 -10.889 -6.216 1.00 0.00 C ATOM 450 O ARG A 32 7.388 -11.766 -6.488 1.00 0.00 O ATOM 451 CB ARG A 32 5.278 -11.392 -8.299 1.00 0.00 C ATOM 452 CG ARG A 32 6.336 -10.680 -9.126 1.00 0.00 C ATOM 453 CD ARG A 32 6.937 -11.604 -10.175 1.00 0.00 C ATOM 454 NE ARG A 32 7.406 -10.870 -11.347 1.00 0.00 N ATOM 455 CZ ARG A 32 7.978 -11.449 -12.397 1.00 0.00 C ATOM 456 NH1 ARG A 32 8.149 -12.764 -12.421 1.00 0.00 N ATOM 457 NH2 ARG A 32 8.379 -10.713 -13.425 1.00 0.00 N ATOM 0 H ARG A 32 4.791 -8.987 -7.654 1.00 0.00 H new ATOM 0 HA ARG A 32 4.536 -11.554 -6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.496 -12.460 -8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.308 -11.270 -8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.894 -9.811 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.124 -10.310 -8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.768 -12.157 -9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.192 -12.338 -10.481 1.00 0.00 H new ATOM 0 HE ARG A 32 7.288 -9.857 -11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.841 -13.333 -11.632 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.588 -13.207 -13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.248 -9.702 -13.410 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.818 -11.158 -14.231 1.00 0.00 H new ATOM 471 N GLY A 33 6.822 -9.903 -5.362 1.00 0.00 N ATOM 472 CA GLY A 33 8.107 -9.810 -4.696 1.00 0.00 C ATOM 473 C GLY A 33 8.562 -8.376 -4.509 1.00 0.00 C ATOM 474 O GLY A 33 9.531 -8.112 -3.799 1.00 0.00 O ATOM 0 H GLY A 33 6.160 -9.166 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.044 -10.298 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.854 -10.352 -5.277 1.00 0.00 H new ATOM 478 N GLY A 34 7.859 -7.445 -5.149 1.00 0.00 N ATOM 479 CA GLY A 34 8.211 -6.042 -5.037 1.00 0.00 C ATOM 480 C GLY A 34 7.896 -5.263 -6.299 1.00 0.00 C ATOM 481 O GLY A 34 7.686 -4.052 -6.252 1.00 0.00 O ATOM 0 H GLY A 34 7.052 -7.638 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.673 -5.601 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.275 -5.954 -4.815 1.00 0.00 H new ATOM 485 N GLU A 35 7.865 -5.961 -7.431 1.00 0.00 N ATOM 486 CA GLU A 35 7.576 -5.326 -8.711 1.00 0.00 C ATOM 487 C GLU A 35 6.464 -4.291 -8.566 1.00 0.00 C ATOM 488 O GLU A 35 6.393 -3.326 -9.327 1.00 0.00 O ATOM 489 CB GLU A 35 7.178 -6.377 -9.749 1.00 0.00 C ATOM 490 CG GLU A 35 5.753 -6.882 -9.588 1.00 0.00 C ATOM 491 CD GLU A 35 5.318 -7.774 -10.734 1.00 0.00 C ATOM 492 OE1 GLU A 35 6.152 -8.053 -11.620 1.00 0.00 O ATOM 493 OE2 GLU A 35 4.141 -8.194 -10.745 1.00 0.00 O ATOM 0 H GLU A 35 8.036 -6.965 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 35 8.480 -4.818 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.294 -5.953 -10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.864 -7.221 -9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.671 -7.434 -8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.076 -6.031 -9.517 1.00 0.00 H new ATOM 500 N THR A 36 5.593 -4.500 -7.582 1.00 0.00 N ATOM 501 CA THR A 36 4.483 -3.588 -7.337 1.00 0.00 C ATOM 502 C THR A 36 4.842 -2.558 -6.273 1.00 0.00 C ATOM 503 O THR A 36 4.389 -1.415 -6.325 1.00 0.00 O ATOM 504 CB THR A 36 3.219 -4.349 -6.893 1.00 0.00 C ATOM 505 OG1 THR A 36 2.869 -5.332 -7.874 1.00 0.00 O ATOM 506 CG2 THR A 36 2.055 -3.392 -6.689 1.00 0.00 C ATOM 0 H THR A 36 5.636 -5.293 -6.942 1.00 0.00 H new ATOM 0 HA THR A 36 4.280 -3.078 -8.278 1.00 0.00 H new ATOM 0 HB THR A 36 3.433 -4.843 -5.945 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.066 -5.812 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.174 -3.952 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.314 -2.663 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.842 -2.874 -7.624 1.00 0.00 H new ATOM 514 N ILE A 37 5.659 -2.970 -5.310 1.00 0.00 N ATOM 515 CA ILE A 37 6.081 -2.081 -4.235 1.00 0.00 C ATOM 516 C ILE A 37 7.012 -0.991 -4.755 1.00 0.00 C ATOM 517 O ILE A 37 7.077 0.103 -4.194 1.00 0.00 O ATOM 518 CB ILE A 37 6.793 -2.855 -3.110 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.560 -2.171 -1.762 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.282 -2.965 -3.404 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.098 -1.972 -1.429 1.00 0.00 C ATOM 0 H ILE A 37 6.042 -3.914 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 37 5.177 -1.622 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 37 6.376 -3.861 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.025 -2.767 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.059 -1.202 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.772 -3.514 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.429 -3.493 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.713 -1.967 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.009 -1.482 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.632 -1.351 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.598 -2.940 -1.393 1.00 0.00 H new ATOM 533 N ARG A 38 7.729 -1.298 -5.830 1.00 0.00 N ATOM 534 CA ARG A 38 8.657 -0.344 -6.428 1.00 0.00 C ATOM 535 C ARG A 38 7.910 0.684 -7.273 1.00 0.00 C ATOM 536 O ARG A 38 8.262 1.864 -7.287 1.00 0.00 O ATOM 537 CB ARG A 38 9.689 -1.075 -7.289 1.00 0.00 C ATOM 538 CG ARG A 38 10.494 -2.114 -6.525 1.00 0.00 C ATOM 539 CD ARG A 38 11.852 -2.348 -7.165 1.00 0.00 C ATOM 540 NE ARG A 38 12.695 -1.156 -7.112 1.00 0.00 N ATOM 541 CZ ARG A 38 13.708 -0.934 -7.943 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.003 -1.819 -8.885 1.00 0.00 N ATOM 543 NH2 ARG A 38 14.428 0.174 -7.832 1.00 0.00 N ATOM 0 H ARG A 38 7.686 -2.199 -6.305 1.00 0.00 H new ATOM 0 HA ARG A 38 9.172 0.179 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.177 -1.562 -8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.372 -0.344 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.628 -1.786 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.940 -3.052 -6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.355 -3.171 -6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.716 -2.650 -8.203 1.00 0.00 H new ATOM 0 HE ARG A 38 12.495 -0.456 -6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.452 -2.673 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.781 -1.646 -9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.205 0.857 -7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.205 0.343 -8.470 1.00 0.00 H new ATOM 557 N SER A 39 6.879 0.228 -7.976 1.00 0.00 N ATOM 558 CA SER A 39 6.085 1.107 -8.827 1.00 0.00 C ATOM 559 C SER A 39 5.409 2.197 -8.002 1.00 0.00 C ATOM 560 O SER A 39 5.088 3.270 -8.513 1.00 0.00 O ATOM 561 CB SER A 39 5.032 0.300 -9.588 1.00 0.00 C ATOM 562 OG SER A 39 4.618 0.980 -10.760 1.00 0.00 O ATOM 0 H SER A 39 6.573 -0.745 -7.973 1.00 0.00 H new ATOM 0 HA SER A 39 6.756 1.582 -9.543 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.439 -0.675 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.171 0.121 -8.944 1.00 0.00 H new ATOM 0 HG SER A 39 3.946 0.443 -11.230 1.00 0.00 H new ATOM 568 N ILE A 40 5.196 1.914 -6.721 1.00 0.00 N ATOM 569 CA ILE A 40 4.558 2.870 -5.823 1.00 0.00 C ATOM 570 C ILE A 40 5.530 3.973 -5.415 1.00 0.00 C ATOM 571 O ILE A 40 5.196 5.157 -5.458 1.00 0.00 O ATOM 572 CB ILE A 40 4.021 2.181 -4.556 1.00 0.00 C ATOM 573 CG1 ILE A 40 3.032 1.075 -4.932 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.361 3.198 -3.638 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.706 0.141 -3.787 1.00 0.00 C ATOM 0 H ILE A 40 5.456 1.031 -6.282 1.00 0.00 H new ATOM 0 HA ILE A 40 3.723 3.308 -6.370 1.00 0.00 H new ATOM 0 HB ILE A 40 4.858 1.730 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.110 1.531 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.445 0.495 -5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.987 2.695 -2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.091 3.954 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.532 3.675 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.000 -0.617 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.619 -0.343 -3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.264 0.709 -2.969 1.00 0.00 H new ATOM 587 N CYS A 41 6.735 3.575 -5.022 1.00 0.00 N ATOM 588 CA CYS A 41 7.757 4.529 -4.605 1.00 0.00 C ATOM 589 C CYS A 41 8.056 5.525 -5.721 1.00 0.00 C ATOM 590 O CYS A 41 8.337 6.696 -5.464 1.00 0.00 O ATOM 591 CB CYS A 41 9.037 3.795 -4.205 1.00 0.00 C ATOM 592 SG CYS A 41 10.469 4.877 -3.980 1.00 0.00 S ATOM 0 H CYS A 41 7.028 2.599 -4.983 1.00 0.00 H new ATOM 0 HA CYS A 41 7.377 5.078 -3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.857 3.251 -3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.272 3.054 -4.969 1.00 0.00 H new ATOM 0 HG CYS A 41 10.174 6.077 -4.384 1.00 0.00 H new ATOM 598 N LYS A 42 7.996 5.052 -6.962 1.00 0.00 N ATOM 599 CA LYS A 42 8.260 5.900 -8.117 1.00 0.00 C ATOM 600 C LYS A 42 7.003 6.654 -8.539 1.00 0.00 C ATOM 601 O LYS A 42 7.082 7.721 -9.147 1.00 0.00 O ATOM 602 CB LYS A 42 8.779 5.058 -9.286 1.00 0.00 C ATOM 603 CG LYS A 42 7.675 4.395 -10.093 1.00 0.00 C ATOM 604 CD LYS A 42 8.210 3.807 -11.389 1.00 0.00 C ATOM 605 CE LYS A 42 9.046 2.563 -11.134 1.00 0.00 C ATOM 606 NZ LYS A 42 9.418 1.875 -12.402 1.00 0.00 N ATOM 0 H LYS A 42 7.767 4.085 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 42 9.021 6.628 -7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.370 5.693 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.448 4.289 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.211 3.608 -9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.898 5.125 -10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.378 3.559 -12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.814 4.553 -11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.950 2.838 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.489 1.875 -10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.987 1.032 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.555 1.590 -12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.971 2.522 -12.999 1.00 0.00 H new ATOM 620 N ALA A 43 5.844 6.093 -8.210 1.00 0.00 N ATOM 621 CA ALA A 43 4.571 6.714 -8.551 1.00 0.00 C ATOM 622 C ALA A 43 4.229 7.837 -7.577 1.00 0.00 C ATOM 623 O ALA A 43 3.429 8.719 -7.887 1.00 0.00 O ATOM 624 CB ALA A 43 3.463 5.671 -8.567 1.00 0.00 C ATOM 0 H ALA A 43 5.761 5.209 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 43 4.662 7.148 -9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.517 6.149 -8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.695 4.905 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.382 5.211 -7.582 1.00 0.00 H new ATOM 630 N SER A 44 4.840 7.797 -6.397 1.00 0.00 N ATOM 631 CA SER A 44 4.597 8.808 -5.375 1.00 0.00 C ATOM 632 C SER A 44 5.887 9.541 -5.020 1.00 0.00 C ATOM 633 O SER A 44 5.874 10.737 -4.732 1.00 0.00 O ATOM 634 CB SER A 44 4.001 8.165 -4.122 1.00 0.00 C ATOM 635 OG SER A 44 4.666 6.956 -3.804 1.00 0.00 O ATOM 0 H SER A 44 5.507 7.075 -6.125 1.00 0.00 H new ATOM 0 HA SER A 44 3.886 9.531 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.077 8.857 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.940 7.970 -4.279 1.00 0.00 H new ATOM 0 HG SER A 44 4.497 6.295 -4.508 1.00 0.00 H new ATOM 641 N GLY A 45 6.999 8.815 -5.043 1.00 0.00 N ATOM 642 CA GLY A 45 8.283 9.412 -4.722 1.00 0.00 C ATOM 643 C GLY A 45 8.775 9.021 -3.342 1.00 0.00 C ATOM 644 O GLY A 45 9.958 9.159 -3.035 1.00 0.00 O ATOM 0 H GLY A 45 7.035 7.823 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.018 9.107 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.201 10.497 -4.781 1.00 0.00 H new ATOM 648 N ALA A 46 7.863 8.535 -2.506 1.00 0.00 N ATOM 649 CA ALA A 46 8.210 8.123 -1.152 1.00 0.00 C ATOM 650 C ALA A 46 8.706 6.681 -1.127 1.00 0.00 C ATOM 651 O ALA A 46 8.208 5.829 -1.863 1.00 0.00 O ATOM 652 CB ALA A 46 7.013 8.287 -0.227 1.00 0.00 C ATOM 0 H ALA A 46 6.878 8.417 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 46 9.018 8.764 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.287 7.975 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.705 9.332 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.189 7.671 -0.586 1.00 0.00 H new ATOM 658 N LYS A 47 9.691 6.414 -0.276 1.00 0.00 N ATOM 659 CA LYS A 47 10.255 5.075 -0.154 1.00 0.00 C ATOM 660 C LYS A 47 9.323 4.162 0.637 1.00 0.00 C ATOM 661 O LYS A 47 8.884 4.509 1.734 1.00 0.00 O ATOM 662 CB LYS A 47 11.624 5.137 0.527 1.00 0.00 C ATOM 663 CG LYS A 47 12.137 3.782 0.986 1.00 0.00 C ATOM 664 CD LYS A 47 12.760 3.004 -0.160 1.00 0.00 C ATOM 665 CE LYS A 47 12.446 1.518 -0.060 1.00 0.00 C ATOM 666 NZ LYS A 47 13.487 0.685 -0.722 1.00 0.00 N ATOM 0 H LYS A 47 10.115 7.108 0.340 1.00 0.00 H new ATOM 0 HA LYS A 47 10.372 4.664 -1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.345 5.574 -0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.563 5.803 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.875 3.920 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.316 3.207 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.390 3.392 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.840 3.150 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.366 1.234 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.477 1.320 -0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.236 -0.320 -0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.546 0.938 -1.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.407 0.854 -0.268 1.00 0.00 H new ATOM 680 N ILE A 48 9.027 2.996 0.074 1.00 0.00 N ATOM 681 CA ILE A 48 8.150 2.033 0.728 1.00 0.00 C ATOM 682 C ILE A 48 8.918 0.783 1.144 1.00 0.00 C ATOM 683 O ILE A 48 9.647 0.194 0.345 1.00 0.00 O ATOM 684 CB ILE A 48 6.981 1.623 -0.187 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.673 2.740 -1.187 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.750 1.292 0.642 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.025 3.954 -0.557 1.00 0.00 C ATOM 0 H ILE A 48 9.382 2.695 -0.834 1.00 0.00 H new ATOM 0 HA ILE A 48 7.751 2.523 1.616 1.00 0.00 H new ATOM 0 HB ILE A 48 7.269 0.731 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.599 3.045 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.016 2.350 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.933 1.004 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.977 0.468 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.456 2.167 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.835 4.705 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.083 3.664 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.690 4.369 0.200 1.00 0.00 H new ATOM 699 N THR A 49 8.749 0.381 2.399 1.00 0.00 N ATOM 700 CA THR A 49 9.425 -0.799 2.922 1.00 0.00 C ATOM 701 C THR A 49 8.494 -1.621 3.806 1.00 0.00 C ATOM 702 O THR A 49 7.441 -1.142 4.229 1.00 0.00 O ATOM 703 CB THR A 49 10.678 -0.417 3.732 1.00 0.00 C ATOM 704 OG1 THR A 49 11.481 -1.579 3.971 1.00 0.00 O ATOM 705 CG2 THR A 49 10.292 0.221 5.057 1.00 0.00 C ATOM 0 H THR A 49 8.149 0.856 3.073 1.00 0.00 H new ATOM 0 HA THR A 49 9.726 -1.397 2.062 1.00 0.00 H new ATOM 0 HB THR A 49 11.251 0.306 3.152 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.276 -1.327 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.193 0.482 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.707 1.122 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.698 -0.483 5.640 1.00 0.00 H new ATOM 713 N CYS A 50 8.888 -2.860 4.083 1.00 0.00 N ATOM 714 CA CYS A 50 8.088 -3.747 4.918 1.00 0.00 C ATOM 715 C CYS A 50 8.674 -3.847 6.323 1.00 0.00 C ATOM 716 O CYS A 50 9.846 -4.178 6.494 1.00 0.00 O ATOM 717 CB CYS A 50 8.005 -5.138 4.286 1.00 0.00 C ATOM 718 SG CYS A 50 9.472 -6.160 4.556 1.00 0.00 S ATOM 0 H CYS A 50 9.756 -3.272 3.741 1.00 0.00 H new ATOM 0 HA CYS A 50 7.084 -3.329 4.992 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.135 -5.657 4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.844 -5.029 3.214 1.00 0.00 H new ATOM 0 HG CYS A 50 10.246 -5.587 5.429 1.00 0.00 H new ATOM 724 N ASP A 51 7.848 -3.559 7.323 1.00 0.00 N ATOM 725 CA ASP A 51 8.285 -3.616 8.714 1.00 0.00 C ATOM 726 C ASP A 51 9.740 -3.177 8.845 1.00 0.00 C ATOM 727 O ASP A 51 10.239 -2.393 8.038 1.00 0.00 O ATOM 728 CB ASP A 51 8.114 -5.031 9.267 1.00 0.00 C ATOM 729 CG ASP A 51 7.765 -5.038 10.742 1.00 0.00 C ATOM 730 OD1 ASP A 51 6.587 -4.796 11.074 1.00 0.00 O ATOM 731 OD2 ASP A 51 8.672 -5.286 11.565 1.00 0.00 O ATOM 0 H ASP A 51 6.874 -3.284 7.197 1.00 0.00 H new ATOM 0 HA ASP A 51 7.665 -2.931 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.331 -5.544 8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.035 -5.592 9.112 1.00 0.00 H new ATOM 736 N LYS A 52 10.417 -3.687 9.869 1.00 0.00 N ATOM 737 CA LYS A 52 11.815 -3.350 10.107 1.00 0.00 C ATOM 738 C LYS A 52 12.553 -4.517 10.756 1.00 0.00 C ATOM 739 O LYS A 52 13.479 -5.079 10.172 1.00 0.00 O ATOM 740 CB LYS A 52 11.917 -2.110 10.998 1.00 0.00 C ATOM 741 CG LYS A 52 10.830 -2.030 12.056 1.00 0.00 C ATOM 742 CD LYS A 52 11.419 -1.891 13.450 1.00 0.00 C ATOM 743 CE LYS A 52 10.661 -0.863 14.275 1.00 0.00 C ATOM 744 NZ LYS A 52 10.601 -1.243 15.715 1.00 0.00 N ATOM 0 H LYS A 52 10.019 -4.336 10.548 1.00 0.00 H new ATOM 0 HA LYS A 52 12.281 -3.138 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.891 -2.104 11.488 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.870 -1.219 10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.180 -1.180 11.848 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.209 -2.925 12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.392 -2.856 13.955 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.467 -1.599 13.376 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.143 0.110 14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.649 -0.758 13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.076 -0.517 16.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.119 -2.159 15.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.566 -1.318 16.095 1.00 0.00 H new ATOM 758 N GLU A 53 12.135 -4.876 11.966 1.00 0.00 N ATOM 759 CA GLU A 53 12.758 -5.977 12.693 1.00 0.00 C ATOM 760 C GLU A 53 12.213 -7.320 12.215 1.00 0.00 C ATOM 761 O GLU A 53 12.705 -8.377 12.612 1.00 0.00 O ATOM 762 CB GLU A 53 12.521 -5.823 14.197 1.00 0.00 C ATOM 763 CG GLU A 53 13.691 -5.196 14.936 1.00 0.00 C ATOM 764 CD GLU A 53 13.806 -5.685 16.366 1.00 0.00 C ATOM 765 OE1 GLU A 53 13.923 -6.913 16.567 1.00 0.00 O ATOM 766 OE2 GLU A 53 13.779 -4.841 17.286 1.00 0.00 O ATOM 0 H GLU A 53 11.369 -4.422 12.463 1.00 0.00 H new ATOM 0 HA GLU A 53 13.830 -5.949 12.497 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.632 -5.212 14.356 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.314 -6.803 14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.615 -5.421 14.403 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.578 -4.112 14.934 1.00 0.00 H new ATOM 773 N SER A 54 11.196 -7.270 11.362 1.00 0.00 N ATOM 774 CA SER A 54 10.582 -8.483 10.834 1.00 0.00 C ATOM 775 C SER A 54 11.629 -9.389 10.195 1.00 0.00 C ATOM 776 O SER A 54 12.668 -8.922 9.729 1.00 0.00 O ATOM 777 CB SER A 54 9.504 -8.128 9.807 1.00 0.00 C ATOM 778 OG SER A 54 10.080 -7.793 8.557 1.00 0.00 O ATOM 0 H SER A 54 10.779 -6.403 11.022 1.00 0.00 H new ATOM 0 HA SER A 54 10.122 -9.019 11.664 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.824 -8.971 9.683 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.910 -7.290 10.173 1.00 0.00 H new ATOM 0 HG SER A 54 9.406 -7.884 7.851 1.00 0.00 H new ATOM 784 N GLU A 55 11.349 -10.688 10.179 1.00 0.00 N ATOM 785 CA GLU A 55 12.266 -11.661 9.598 1.00 0.00 C ATOM 786 C GLU A 55 11.592 -12.445 8.477 1.00 0.00 C ATOM 787 O GLU A 55 12.201 -12.722 7.445 1.00 0.00 O ATOM 788 CB GLU A 55 12.773 -12.623 10.675 1.00 0.00 C ATOM 789 CG GLU A 55 14.286 -12.760 10.707 1.00 0.00 C ATOM 790 CD GLU A 55 14.799 -13.251 12.047 1.00 0.00 C ATOM 791 OE1 GLU A 55 14.218 -14.214 12.589 1.00 0.00 O ATOM 792 OE2 GLU A 55 15.782 -12.670 12.554 1.00 0.00 O ATOM 0 H GLU A 55 10.494 -11.091 10.562 1.00 0.00 H new ATOM 0 HA GLU A 55 13.112 -11.117 9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.427 -12.278 11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.331 -13.606 10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.601 -13.452 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.739 -11.795 10.480 1.00 0.00 H new ATOM 799 N GLY A 56 10.329 -12.800 8.688 1.00 0.00 N ATOM 800 CA GLY A 56 9.591 -13.549 7.687 1.00 0.00 C ATOM 801 C GLY A 56 9.358 -14.990 8.097 1.00 0.00 C ATOM 802 O GLY A 56 9.578 -15.911 7.309 1.00 0.00 O ATOM 0 H GLY A 56 9.803 -12.583 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.631 -13.065 7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.138 -13.526 6.744 1.00 0.00 H new ATOM 806 N THR A 57 8.913 -15.188 9.333 1.00 0.00 N ATOM 807 CA THR A 57 8.653 -16.527 9.847 1.00 0.00 C ATOM 808 C THR A 57 7.315 -17.057 9.346 1.00 0.00 C ATOM 809 O THR A 57 7.267 -17.942 8.492 1.00 0.00 O ATOM 810 CB THR A 57 8.659 -16.548 11.387 1.00 0.00 C ATOM 811 OG1 THR A 57 9.964 -16.226 11.878 1.00 0.00 O ATOM 812 CG2 THR A 57 8.237 -17.913 11.911 1.00 0.00 C ATOM 0 H THR A 57 8.725 -14.438 9.998 1.00 0.00 H new ATOM 0 HA THR A 57 9.454 -17.169 9.480 1.00 0.00 H new ATOM 0 HB THR A 57 7.946 -15.803 11.740 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.958 -16.240 12.858 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.249 -17.904 13.001 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.230 -18.142 11.561 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.929 -18.672 11.547 1.00 0.00 H new ATOM 820 N LEU A 58 6.229 -16.511 9.884 1.00 0.00 N ATOM 821 CA LEU A 58 4.888 -16.930 9.491 1.00 0.00 C ATOM 822 C LEU A 58 3.828 -16.075 10.179 1.00 0.00 C ATOM 823 O LEU A 58 2.781 -16.576 10.589 1.00 0.00 O ATOM 824 CB LEU A 58 4.672 -18.405 9.835 1.00 0.00 C ATOM 825 CG LEU A 58 3.308 -18.988 9.461 1.00 0.00 C ATOM 826 CD1 LEU A 58 3.460 -20.050 8.383 1.00 0.00 C ATOM 827 CD2 LEU A 58 2.621 -19.565 10.689 1.00 0.00 C ATOM 0 H LEU A 58 6.251 -15.778 10.593 1.00 0.00 H new ATOM 0 HA LEU A 58 4.793 -16.797 8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.444 -18.991 9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.818 -18.533 10.908 1.00 0.00 H new ATOM 0 HG LEU A 58 2.686 -18.185 9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.480 -20.454 8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.910 -19.606 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.099 -20.853 8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.652 -19.975 10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.239 -20.356 11.114 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.479 -18.778 11.430 1.00 0.00 H new ATOM 839 N LEU A 59 4.105 -14.781 10.296 1.00 0.00 N ATOM 840 CA LEU A 59 3.175 -13.855 10.931 1.00 0.00 C ATOM 841 C LEU A 59 1.784 -13.971 10.314 1.00 0.00 C ATOM 842 O LEU A 59 1.541 -14.828 9.465 1.00 0.00 O ATOM 843 CB LEU A 59 3.685 -12.419 10.802 1.00 0.00 C ATOM 844 CG LEU A 59 4.413 -12.080 9.501 1.00 0.00 C ATOM 845 CD1 LEU A 59 3.586 -12.509 8.298 1.00 0.00 C ATOM 846 CD2 LEU A 59 4.722 -10.592 9.433 1.00 0.00 C ATOM 0 H LEU A 59 4.966 -14.350 9.959 1.00 0.00 H new ATOM 0 HA LEU A 59 3.107 -14.115 11.987 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.837 -11.743 10.907 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.359 -12.218 11.635 1.00 0.00 H new ATOM 0 HG LEU A 59 5.355 -12.628 9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.120 -12.259 7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.417 -13.585 8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.627 -11.990 8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.240 -10.370 8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.792 -10.025 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.356 -10.313 10.275 1.00 0.00 H new ATOM 858 N LEU A 60 0.878 -13.099 10.743 1.00 0.00 N ATOM 859 CA LEU A 60 -0.489 -13.102 10.230 1.00 0.00 C ATOM 860 C LEU A 60 -0.792 -11.806 9.485 1.00 0.00 C ATOM 861 O LEU A 60 -1.600 -11.787 8.557 1.00 0.00 O ATOM 862 CB LEU A 60 -1.484 -13.290 11.375 1.00 0.00 C ATOM 863 CG LEU A 60 -1.907 -14.731 11.667 1.00 0.00 C ATOM 864 CD1 LEU A 60 -1.533 -15.120 13.090 1.00 0.00 C ATOM 865 CD2 LEU A 60 -3.401 -14.905 11.440 1.00 0.00 C ATOM 0 H LEU A 60 1.064 -12.382 11.444 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.588 -13.933 9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.048 -12.870 12.281 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.378 -12.708 11.152 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.376 -15.391 10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.842 -16.148 13.279 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.454 -15.036 13.219 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.035 -14.455 13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.684 -15.936 11.653 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.950 -14.235 12.101 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.641 -14.669 10.403 1.00 0.00 H new ATOM 877 N SER A 61 -0.138 -10.725 9.898 1.00 0.00 N ATOM 878 CA SER A 61 -0.339 -9.424 9.271 1.00 0.00 C ATOM 879 C SER A 61 0.997 -8.776 8.920 1.00 0.00 C ATOM 880 O SER A 61 1.975 -8.912 9.654 1.00 0.00 O ATOM 881 CB SER A 61 -1.136 -8.505 10.199 1.00 0.00 C ATOM 882 OG SER A 61 -2.240 -9.187 10.769 1.00 0.00 O ATOM 0 H SER A 61 0.536 -10.724 10.664 1.00 0.00 H new ATOM 0 HA SER A 61 -0.902 -9.576 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.487 -8.132 10.991 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.489 -7.638 9.641 1.00 0.00 H new ATOM 0 HG SER A 61 -2.732 -8.578 11.359 1.00 0.00 H new ATOM 888 N ARG A 62 1.028 -8.073 7.793 1.00 0.00 N ATOM 889 CA ARG A 62 2.244 -7.406 7.343 1.00 0.00 C ATOM 890 C ARG A 62 2.209 -5.920 7.689 1.00 0.00 C ATOM 891 O ARG A 62 1.157 -5.376 8.029 1.00 0.00 O ATOM 892 CB ARG A 62 2.421 -7.585 5.834 1.00 0.00 C ATOM 893 CG ARG A 62 3.302 -8.765 5.460 1.00 0.00 C ATOM 894 CD ARG A 62 4.773 -8.455 5.686 1.00 0.00 C ATOM 895 NE ARG A 62 5.138 -8.531 7.098 1.00 0.00 N ATOM 896 CZ ARG A 62 6.207 -7.935 7.615 1.00 0.00 C ATOM 897 NH1 ARG A 62 7.012 -7.223 6.839 1.00 0.00 N ATOM 898 NH2 ARG A 62 6.472 -8.051 8.910 1.00 0.00 N ATOM 0 H ARG A 62 0.226 -7.950 7.175 1.00 0.00 H new ATOM 0 HA ARG A 62 3.090 -7.862 7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.441 -7.714 5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.851 -6.675 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.017 -9.635 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.140 -9.024 4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.383 -9.156 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.996 -7.457 5.307 1.00 0.00 H new ATOM 0 HE ARG A 62 4.539 -9.072 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.811 -7.132 5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.832 -6.766 7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.855 -8.598 9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.293 -7.593 9.306 1.00 0.00 H new ATOM 912 N LEU A 63 3.363 -5.269 7.601 1.00 0.00 N ATOM 913 CA LEU A 63 3.465 -3.847 7.905 1.00 0.00 C ATOM 914 C LEU A 63 4.334 -3.131 6.876 1.00 0.00 C ATOM 915 O LEU A 63 5.285 -3.705 6.344 1.00 0.00 O ATOM 916 CB LEU A 63 4.044 -3.645 9.306 1.00 0.00 C ATOM 917 CG LEU A 63 3.476 -2.470 10.104 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.078 -2.433 11.500 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.731 -1.158 9.377 1.00 0.00 C ATOM 0 H LEU A 63 4.242 -5.704 7.321 1.00 0.00 H new ATOM 0 HA LEU A 63 2.463 -3.420 7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.884 -4.558 9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.122 -3.510 9.216 1.00 0.00 H new ATOM 0 HG LEU A 63 2.399 -2.607 10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.662 -1.591 12.053 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.844 -3.361 12.022 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.160 -2.321 11.427 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.320 -0.333 9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.804 -1.014 9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.252 -1.185 8.398 1.00 0.00 H new ATOM 931 N ILE A 64 4.002 -1.873 6.601 1.00 0.00 N ATOM 932 CA ILE A 64 4.754 -1.078 5.638 1.00 0.00 C ATOM 933 C ILE A 64 5.216 0.238 6.253 1.00 0.00 C ATOM 934 O ILE A 64 4.605 0.744 7.194 1.00 0.00 O ATOM 935 CB ILE A 64 3.917 -0.779 4.380 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.618 -2.073 3.620 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.645 0.212 3.483 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.745 -2.515 2.712 1.00 0.00 C ATOM 0 H ILE A 64 3.218 -1.383 7.032 1.00 0.00 H new ATOM 0 HA ILE A 64 5.625 -1.668 5.353 1.00 0.00 H new ATOM 0 HB ILE A 64 2.971 -0.334 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.408 -2.866 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.715 -1.935 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.041 0.413 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.812 1.141 4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.604 -0.208 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.464 -3.438 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.941 -1.740 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.644 -2.686 3.304 1.00 0.00 H new ATOM 950 N LYS A 65 6.297 0.790 5.714 1.00 0.00 N ATOM 951 CA LYS A 65 6.841 2.050 6.206 1.00 0.00 C ATOM 952 C LYS A 65 7.052 3.036 5.062 1.00 0.00 C ATOM 953 O LYS A 65 7.931 2.845 4.221 1.00 0.00 O ATOM 954 CB LYS A 65 8.164 1.807 6.937 1.00 0.00 C ATOM 955 CG LYS A 65 8.055 1.923 8.447 1.00 0.00 C ATOM 956 CD LYS A 65 9.407 1.749 9.119 1.00 0.00 C ATOM 957 CE LYS A 65 9.379 0.625 10.144 1.00 0.00 C ATOM 958 NZ LYS A 65 9.255 1.146 11.534 1.00 0.00 N ATOM 0 H LYS A 65 6.815 0.384 4.935 1.00 0.00 H new ATOM 0 HA LYS A 65 6.122 2.480 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.532 0.813 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.904 2.522 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.640 2.896 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.362 1.170 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.165 1.536 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.695 2.680 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.543 -0.041 9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.290 0.032 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.779 0.438 12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.202 1.341 11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.697 2.024 11.527 1.00 0.00 H new ATOM 972 N ILE A 66 6.242 4.089 5.037 1.00 0.00 N ATOM 973 CA ILE A 66 6.344 5.106 3.998 1.00 0.00 C ATOM 974 C ILE A 66 7.199 6.282 4.459 1.00 0.00 C ATOM 975 O ILE A 66 6.905 6.915 5.474 1.00 0.00 O ATOM 976 CB ILE A 66 4.955 5.626 3.582 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.035 4.458 3.222 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.080 6.590 2.411 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.728 4.461 3.983 1.00 0.00 C ATOM 0 H ILE A 66 5.508 4.260 5.724 1.00 0.00 H new ATOM 0 HA ILE A 66 6.818 4.632 3.139 1.00 0.00 H new ATOM 0 HB ILE A 66 4.517 6.162 4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.824 4.489 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.557 3.521 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.090 6.949 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.704 7.436 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.535 6.077 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.127 3.605 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.929 4.399 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.184 5.381 3.769 1.00 0.00 H new ATOM 991 N SER A 67 8.256 6.569 3.708 1.00 0.00 N ATOM 992 CA SER A 67 9.155 7.668 4.040 1.00 0.00 C ATOM 993 C SER A 67 9.312 8.619 2.857 1.00 0.00 C ATOM 994 O SER A 67 9.278 8.200 1.701 1.00 0.00 O ATOM 995 CB SER A 67 10.523 7.127 4.460 1.00 0.00 C ATOM 996 OG SER A 67 10.971 6.125 3.564 1.00 0.00 O ATOM 0 H SER A 67 8.512 6.056 2.865 1.00 0.00 H new ATOM 0 HA SER A 67 8.720 8.221 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.246 7.942 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.462 6.717 5.468 1.00 0.00 H new ATOM 0 HG SER A 67 11.848 5.796 3.853 1.00 0.00 H new ATOM 1002 N GLY A 68 9.484 9.903 3.157 1.00 0.00 N ATOM 1003 CA GLY A 68 9.644 10.894 2.109 1.00 0.00 C ATOM 1004 C GLY A 68 9.069 12.243 2.494 1.00 0.00 C ATOM 1005 O GLY A 68 8.773 12.490 3.663 1.00 0.00 O ATOM 0 H GLY A 68 9.515 10.274 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.703 11.006 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.156 10.540 1.201 1.00 0.00 H new ATOM 1009 N THR A 69 8.911 13.120 1.507 1.00 0.00 N ATOM 1010 CA THR A 69 8.371 14.452 1.749 1.00 0.00 C ATOM 1011 C THR A 69 6.871 14.396 2.015 1.00 0.00 C ATOM 1012 O THR A 69 6.172 13.523 1.502 1.00 0.00 O ATOM 1013 CB THR A 69 8.634 15.390 0.556 1.00 0.00 C ATOM 1014 OG1 THR A 69 8.054 14.844 -0.634 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.126 15.597 0.350 1.00 0.00 C ATOM 0 H THR A 69 9.149 12.932 0.533 1.00 0.00 H new ATOM 0 HA THR A 69 8.880 14.845 2.629 1.00 0.00 H new ATOM 0 HB THR A 69 8.176 16.355 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.224 15.447 -1.387 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.287 16.263 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.559 16.040 1.247 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.603 14.637 0.153 1.00 0.00 H new ATOM 1023 N GLN A 70 6.382 15.335 2.819 1.00 0.00 N ATOM 1024 CA GLN A 70 4.964 15.392 3.153 1.00 0.00 C ATOM 1025 C GLN A 70 4.103 15.121 1.924 1.00 0.00 C ATOM 1026 O GLN A 70 2.971 14.652 2.036 1.00 0.00 O ATOM 1027 CB GLN A 70 4.612 16.757 3.746 1.00 0.00 C ATOM 1028 CG GLN A 70 3.271 16.783 4.461 1.00 0.00 C ATOM 1029 CD GLN A 70 3.332 16.154 5.839 1.00 0.00 C ATOM 1030 OE1 GLN A 70 4.304 16.333 6.574 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.291 15.411 6.198 1.00 0.00 N ATOM 0 H GLN A 70 6.947 16.066 3.251 1.00 0.00 H new ATOM 0 HA GLN A 70 4.761 14.619 3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.393 17.052 4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.603 17.499 2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.932 17.815 4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.532 16.256 3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.506 15.289 5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.276 14.962 7.114 1.00 0.00 H new ATOM 1040 N LYS A 71 4.648 15.421 0.750 1.00 0.00 N ATOM 1041 CA LYS A 71 3.932 15.210 -0.502 1.00 0.00 C ATOM 1042 C LYS A 71 3.855 13.725 -0.842 1.00 0.00 C ATOM 1043 O LYS A 71 2.782 13.203 -1.142 1.00 0.00 O ATOM 1044 CB LYS A 71 4.617 15.969 -1.641 1.00 0.00 C ATOM 1045 CG LYS A 71 4.299 17.455 -1.660 1.00 0.00 C ATOM 1046 CD LYS A 71 5.523 18.283 -2.015 1.00 0.00 C ATOM 1047 CE LYS A 71 5.166 19.434 -2.943 1.00 0.00 C ATOM 1048 NZ LYS A 71 5.923 19.368 -4.224 1.00 0.00 N ATOM 0 H LYS A 71 5.584 15.811 0.640 1.00 0.00 H new ATOM 0 HA LYS A 71 2.918 15.590 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.696 15.838 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.316 15.529 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.506 17.649 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.923 17.760 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.975 18.675 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.268 17.647 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.096 19.414 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.376 20.381 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.652 20.169 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.943 19.413 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.703 18.476 -4.712 1.00 0.00 H new ATOM 1062 N GLU A 72 5.000 13.051 -0.790 1.00 0.00 N ATOM 1063 CA GLU A 72 5.060 11.626 -1.091 1.00 0.00 C ATOM 1064 C GLU A 72 4.376 10.809 0.001 1.00 0.00 C ATOM 1065 O GLU A 72 3.323 10.212 -0.224 1.00 0.00 O ATOM 1066 CB GLU A 72 6.515 11.176 -1.243 1.00 0.00 C ATOM 1067 CG GLU A 72 7.337 12.070 -2.157 1.00 0.00 C ATOM 1068 CD GLU A 72 8.816 12.043 -1.824 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.164 11.619 -0.701 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.625 12.444 -2.685 1.00 0.00 O ATOM 0 H GLU A 72 5.897 13.469 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 72 4.534 11.457 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.983 11.149 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.533 10.158 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.195 11.755 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.970 13.094 -2.083 1.00 0.00 H new ATOM 1077 N VAL A 73 4.981 10.788 1.184 1.00 0.00 N ATOM 1078 CA VAL A 73 4.430 10.046 2.312 1.00 0.00 C ATOM 1079 C VAL A 73 2.910 10.159 2.354 1.00 0.00 C ATOM 1080 O VAL A 73 2.225 9.263 2.844 1.00 0.00 O ATOM 1081 CB VAL A 73 5.008 10.546 3.649 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.395 9.785 4.814 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.524 10.416 3.656 1.00 0.00 C ATOM 0 H VAL A 73 5.853 11.276 1.386 1.00 0.00 H new ATOM 0 HA VAL A 73 4.710 9.002 2.171 1.00 0.00 H new ATOM 0 HB VAL A 73 4.756 11.600 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.816 10.152 5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.315 9.934 4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.614 8.722 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.915 10.774 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.800 9.370 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.944 11.011 2.845 1.00 0.00 H new ATOM 1093 N ALA A 74 2.390 11.267 1.837 1.00 0.00 N ATOM 1094 CA ALA A 74 0.951 11.497 1.813 1.00 0.00 C ATOM 1095 C ALA A 74 0.317 10.878 0.572 1.00 0.00 C ATOM 1096 O ALA A 74 -0.782 10.328 0.634 1.00 0.00 O ATOM 1097 CB ALA A 74 0.653 12.987 1.873 1.00 0.00 C ATOM 0 H ALA A 74 2.944 12.020 1.429 1.00 0.00 H new ATOM 0 HA ALA A 74 0.517 11.016 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.426 13.143 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.064 13.404 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.107 13.484 1.015 1.00 0.00 H new ATOM 1103 N ALA A 75 1.017 10.973 -0.555 1.00 0.00 N ATOM 1104 CA ALA A 75 0.522 10.422 -1.809 1.00 0.00 C ATOM 1105 C ALA A 75 0.717 8.910 -1.860 1.00 0.00 C ATOM 1106 O ALA A 75 -0.233 8.159 -2.075 1.00 0.00 O ATOM 1107 CB ALA A 75 1.219 11.085 -2.988 1.00 0.00 C ATOM 0 H ALA A 75 1.928 11.426 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.547 10.627 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.839 10.664 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.025 12.157 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.293 10.909 -2.922 1.00 0.00 H new ATOM 1113 N ALA A 76 1.957 8.472 -1.662 1.00 0.00 N ATOM 1114 CA ALA A 76 2.276 7.050 -1.684 1.00 0.00 C ATOM 1115 C ALA A 76 1.305 6.255 -0.816 1.00 0.00 C ATOM 1116 O ALA A 76 0.920 5.138 -1.161 1.00 0.00 O ATOM 1117 CB ALA A 76 3.708 6.823 -1.221 1.00 0.00 C ATOM 0 H ALA A 76 2.756 9.081 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 76 2.177 6.697 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.933 5.757 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.393 7.351 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.825 7.198 -0.204 1.00 0.00 H new ATOM 1123 N LYS A 77 0.914 6.839 0.312 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.012 6.186 1.230 1.00 0.00 C ATOM 1125 C LYS A 77 -1.325 5.850 0.531 1.00 0.00 C ATOM 1126 O LYS A 77 -1.955 4.835 0.826 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.281 7.086 2.439 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.611 6.317 3.707 1.00 0.00 C ATOM 1129 CD LYS A 77 -0.121 7.047 4.945 1.00 0.00 C ATOM 1130 CE LYS A 77 -1.144 8.059 5.437 1.00 0.00 C ATOM 1131 NZ LYS A 77 -1.335 9.173 4.467 1.00 0.00 N ATOM 0 H LYS A 77 1.224 7.763 0.612 1.00 0.00 H new ATOM 0 HA LYS A 77 0.446 5.257 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.595 7.710 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.107 7.757 2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.689 6.169 3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.155 5.328 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.088 6.326 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.817 7.555 4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.097 7.558 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.821 8.464 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.644 10.026 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.437 9.366 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.058 8.905 3.769 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.731 6.709 -0.400 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.969 6.500 -1.143 1.00 0.00 C ATOM 1147 C HIS A 78 -2.801 5.394 -2.180 1.00 0.00 C ATOM 1148 O HIS A 78 -3.733 4.635 -2.450 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.400 7.797 -1.830 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.813 7.771 -2.324 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.859 8.363 -1.650 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.351 7.219 -3.438 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.979 8.177 -2.324 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.699 7.485 -3.414 1.00 0.00 N ATOM 0 H HIS A 78 -1.222 7.554 -0.657 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.741 6.196 -0.436 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.283 8.625 -1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.733 7.993 -2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.820 6.672 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.957 8.530 -2.034 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.373 7.195 -4.122 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.608 5.307 -2.757 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.317 4.294 -3.765 1.00 0.00 C ATOM 1164 C LEU A 79 -1.230 2.907 -3.134 1.00 0.00 C ATOM 1165 O LEU A 79 -1.656 1.917 -3.729 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.007 4.622 -4.484 1.00 0.00 C ATOM 1167 CG LEU A 79 0.057 5.985 -5.174 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.429 6.208 -5.789 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.029 6.096 -6.234 1.00 0.00 C ATOM 0 H LEU A 79 -0.826 5.926 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.132 4.294 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.806 4.565 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.177 3.850 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.112 6.759 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.456 7.183 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.188 6.172 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.629 5.430 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.969 7.072 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.890 5.314 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.007 5.981 -5.766 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.679 2.846 -1.928 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.540 1.581 -1.215 1.00 0.00 C ATOM 1183 C ILE A 80 -1.904 1.000 -0.859 1.00 0.00 C ATOM 1184 O ILE A 80 -2.094 -0.218 -0.870 1.00 0.00 O ATOM 1185 CB ILE A 80 0.285 1.749 0.074 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.654 2.354 -0.246 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.445 0.411 0.779 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.242 3.157 0.893 1.00 0.00 C ATOM 0 H ILE A 80 -0.321 3.657 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.018 0.897 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.246 2.428 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.344 1.552 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.563 2.995 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.031 0.547 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.538 0.015 1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.957 -0.289 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.212 3.555 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.572 3.981 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.366 2.515 1.765 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.851 1.876 -0.544 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.200 1.449 -0.186 1.00 0.00 C ATOM 1202 C LEU A 81 -4.947 0.924 -1.408 1.00 0.00 C ATOM 1203 O LEU A 81 -5.713 -0.034 -1.313 1.00 0.00 O ATOM 1204 CB LEU A 81 -4.975 2.610 0.440 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.594 2.975 1.874 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.224 4.301 2.274 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.013 1.872 2.835 1.00 0.00 C ATOM 0 H LEU A 81 -2.711 2.886 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.118 0.641 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.838 3.491 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.037 2.365 0.419 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.510 3.081 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.941 4.544 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.874 5.087 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.309 4.223 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.734 2.149 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.093 1.733 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.513 0.943 2.562 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.717 1.557 -2.553 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.368 1.152 -3.794 1.00 0.00 C ATOM 1221 C GLU A 82 -5.137 -0.329 -4.070 1.00 0.00 C ATOM 1222 O GLU A 82 -5.883 -0.956 -4.824 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.849 1.989 -4.965 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.323 3.432 -4.940 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.982 3.852 -6.240 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -6.743 3.040 -6.808 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -5.739 4.991 -6.689 1.00 0.00 O ATOM 0 H GLU A 82 -4.085 2.352 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.439 1.320 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.759 1.973 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.167 1.527 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.029 3.565 -4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.474 4.086 -4.739 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.098 -0.885 -3.456 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.767 -2.294 -3.635 1.00 0.00 C ATOM 1236 C LYS A 83 -4.473 -3.155 -2.591 1.00 0.00 C ATOM 1237 O LYS A 83 -4.920 -4.263 -2.887 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.253 -2.499 -3.542 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.511 -2.141 -4.817 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.467 -0.637 -5.033 1.00 0.00 C ATOM 1241 CE LYS A 83 -1.077 -0.291 -6.463 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.240 0.209 -7.249 1.00 0.00 N ATOM 0 H LYS A 83 -3.470 -0.381 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.109 -2.600 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.863 -1.895 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.051 -3.541 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.495 -2.533 -4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.997 -2.618 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.443 -0.207 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.753 -0.190 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.293 0.466 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.662 -1.173 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.934 0.434 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.978 -0.523 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.621 1.066 -6.799 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.570 -2.638 -1.371 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.223 -3.358 -0.285 1.00 0.00 C ATOM 1258 C VAL A 84 -6.707 -3.557 -0.572 1.00 0.00 C ATOM 1259 O VAL A 84 -7.293 -4.570 -0.190 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.066 -2.616 1.055 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -5.736 -3.393 2.178 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.594 -2.380 1.363 1.00 0.00 C ATOM 0 H VAL A 84 -4.204 -1.722 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.736 -4.330 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.557 -1.646 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.614 -2.853 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.798 -3.506 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.276 -4.378 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.501 -1.855 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.077 -3.338 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.148 -1.779 0.571 1.00 0.00 H new ATOM 1272 N SER A 85 -7.309 -2.584 -1.250 1.00 0.00 N ATOM 1273 CA SER A 85 -8.726 -2.651 -1.586 1.00 0.00 C ATOM 1274 C SER A 85 -8.963 -3.601 -2.755 1.00 0.00 C ATOM 1275 O SER A 85 -9.947 -4.339 -2.778 1.00 0.00 O ATOM 1276 CB SER A 85 -9.255 -1.257 -1.931 1.00 0.00 C ATOM 1277 OG SER A 85 -9.964 -0.696 -0.838 1.00 0.00 O ATOM 0 H SER A 85 -6.837 -1.741 -1.577 1.00 0.00 H new ATOM 0 HA SER A 85 -9.263 -3.032 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.424 -0.606 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.909 -1.318 -2.801 1.00 0.00 H new ATOM 0 HG SER A 85 -10.291 0.195 -1.083 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.053 -3.577 -3.723 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.164 -4.435 -4.896 1.00 0.00 C ATOM 1285 C GLU A 86 -8.293 -5.901 -4.488 1.00 0.00 C ATOM 1286 O GLU A 86 -9.259 -6.573 -4.847 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.947 -4.254 -5.806 1.00 0.00 C ATOM 1288 CG GLU A 86 -7.123 -3.160 -6.847 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.237 -3.363 -8.061 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -5.009 -3.495 -7.885 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -6.776 -3.390 -9.188 1.00 0.00 O ATOM 0 H GLU A 86 -7.231 -2.973 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.063 -4.146 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.076 -4.023 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.739 -5.196 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.166 -3.129 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.898 -2.194 -6.395 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.311 -6.387 -3.737 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.314 -7.772 -3.279 1.00 0.00 C ATOM 1300 C ASP A 87 -8.468 -8.022 -2.313 1.00 0.00 C ATOM 1301 O ASP A 87 -8.992 -9.132 -2.233 1.00 0.00 O ATOM 1302 CB ASP A 87 -5.984 -8.110 -2.603 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.701 -9.600 -2.597 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.555 -10.363 -2.099 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.625 -10.002 -3.088 1.00 0.00 O ATOM 0 H ASP A 87 -6.503 -5.843 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.445 -8.417 -4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.175 -7.591 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.997 -7.741 -1.577 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.856 -6.982 -1.581 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.947 -7.092 -0.619 1.00 0.00 C ATOM 1312 C GLU A 88 -11.260 -7.423 -1.321 1.00 0.00 C ATOM 1313 O GLU A 88 -12.111 -8.122 -0.771 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.091 -5.790 0.171 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.508 -5.523 0.651 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.635 -4.208 1.396 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -11.105 -3.192 0.899 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.264 -4.195 2.473 1.00 0.00 O ATOM 0 H GLU A 88 -8.432 -6.056 -1.635 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.710 -7.903 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.424 -5.822 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.765 -4.958 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.182 -5.517 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.826 -6.337 1.302 1.00 0.00 H new ATOM 1325 N GLU A 89 -11.418 -6.913 -2.538 1.00 0.00 N ATOM 1326 CA GLU A 89 -12.629 -7.154 -3.315 1.00 0.00 C ATOM 1327 C GLU A 89 -12.451 -8.352 -4.243 1.00 0.00 C ATOM 1328 O GLU A 89 -13.281 -9.263 -4.265 1.00 0.00 O ATOM 1329 CB GLU A 89 -12.993 -5.912 -4.132 1.00 0.00 C ATOM 1330 CG GLU A 89 -14.452 -5.505 -4.006 1.00 0.00 C ATOM 1331 CD GLU A 89 -14.958 -4.765 -5.228 1.00 0.00 C ATOM 1332 OE1 GLU A 89 -14.473 -3.644 -5.486 1.00 0.00 O ATOM 1333 OE2 GLU A 89 -15.841 -5.307 -5.926 1.00 0.00 O ATOM 0 H GLU A 89 -10.724 -6.331 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.439 -7.373 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.364 -5.081 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.766 -6.099 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.061 -6.395 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.574 -4.873 -3.126 1.00 0.00 H new ATOM 1340 N LEU A 90 -11.366 -8.345 -5.008 1.00 0.00 N ATOM 1341 CA LEU A 90 -11.078 -9.429 -5.939 1.00 0.00 C ATOM 1342 C LEU A 90 -11.388 -10.784 -5.309 1.00 0.00 C ATOM 1343 O LEU A 90 -11.950 -11.667 -5.956 1.00 0.00 O ATOM 1344 CB LEU A 90 -9.613 -9.380 -6.375 1.00 0.00 C ATOM 1345 CG LEU A 90 -8.724 -10.519 -5.874 1.00 0.00 C ATOM 1346 CD1 LEU A 90 -9.020 -11.802 -6.636 1.00 0.00 C ATOM 1347 CD2 LEU A 90 -7.255 -10.146 -6.004 1.00 0.00 C ATOM 0 H LEU A 90 -10.670 -7.599 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.715 -9.301 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.579 -9.372 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.185 -8.436 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.943 -10.688 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.378 -12.601 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.064 -12.079 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.830 -11.646 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.637 -10.968 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.021 -9.949 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.053 -9.253 -5.412 1.00 0.00 H new ATOM 1359 N ARG A 91 -11.017 -10.940 -4.042 1.00 0.00 N ATOM 1360 CA ARG A 91 -11.256 -12.185 -3.324 1.00 0.00 C ATOM 1361 C ARG A 91 -12.745 -12.381 -3.054 1.00 0.00 C ATOM 1362 O ARG A 91 -13.241 -13.508 -3.036 1.00 0.00 O ATOM 1363 CB ARG A 91 -10.483 -12.194 -2.004 1.00 0.00 C ATOM 1364 CG ARG A 91 -9.067 -12.734 -2.131 1.00 0.00 C ATOM 1365 CD ARG A 91 -8.521 -13.186 -0.785 1.00 0.00 C ATOM 1366 NE ARG A 91 -7.186 -13.767 -0.904 1.00 0.00 N ATOM 1367 CZ ARG A 91 -6.665 -14.600 -0.010 1.00 0.00 C ATOM 1368 NH1 ARG A 91 -7.362 -14.949 1.062 1.00 0.00 N ATOM 1369 NH2 ARG A 91 -5.443 -15.086 -0.188 1.00 0.00 N ATOM 0 H ARG A 91 -10.550 -10.219 -3.492 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.906 -13.007 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.442 -11.179 -1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.029 -12.796 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.057 -13.571 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.418 -11.964 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.487 -12.336 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.198 -13.919 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.623 -13.520 -1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.302 -14.578 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.959 -15.589 1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.903 -14.820 -1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.043 -15.726 0.499 1.00 0.00 H new ATOM 1383 N LYS A 92 -13.453 -11.277 -2.846 1.00 0.00 N ATOM 1384 CA LYS A 92 -14.885 -11.325 -2.578 1.00 0.00 C ATOM 1385 C LYS A 92 -15.666 -11.647 -3.848 1.00 0.00 C ATOM 1386 O LYS A 92 -16.604 -12.445 -3.826 1.00 0.00 O ATOM 1387 CB LYS A 92 -15.362 -9.991 -1.998 1.00 0.00 C ATOM 1388 CG LYS A 92 -14.953 -9.776 -0.551 1.00 0.00 C ATOM 1389 CD LYS A 92 -16.142 -9.396 0.314 1.00 0.00 C ATOM 1390 CE LYS A 92 -16.325 -7.887 0.378 1.00 0.00 C ATOM 1391 NZ LYS A 92 -17.471 -7.431 -0.456 1.00 0.00 N ATOM 0 H LYS A 92 -13.058 -10.337 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.066 -12.116 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.963 -9.178 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.448 -9.940 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.495 -10.686 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.198 -8.992 -0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -17.046 -9.857 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -16.002 -9.790 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.486 -7.584 1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -15.412 -7.396 0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -17.562 -6.397 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.306 -7.697 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.346 -7.880 -0.118 1.00 0.00 H new ATOM 1405 N ARG A 93 -15.272 -11.022 -4.954 1.00 0.00 N ATOM 1406 CA ARG A 93 -15.935 -11.243 -6.233 1.00 0.00 C ATOM 1407 C ARG A 93 -15.901 -12.720 -6.615 1.00 0.00 C ATOM 1408 O ARG A 93 -16.785 -13.210 -7.319 1.00 0.00 O ATOM 1409 CB ARG A 93 -15.269 -10.407 -7.327 1.00 0.00 C ATOM 1410 CG ARG A 93 -15.369 -8.908 -7.094 1.00 0.00 C ATOM 1411 CD ARG A 93 -14.869 -8.122 -8.296 1.00 0.00 C ATOM 1412 NE ARG A 93 -15.956 -7.757 -9.202 1.00 0.00 N ATOM 1413 CZ ARG A 93 -15.763 -7.202 -10.393 1.00 0.00 C ATOM 1414 NH1 ARG A 93 -14.533 -6.951 -10.821 1.00 0.00 N ATOM 1415 NH2 ARG A 93 -16.802 -6.898 -11.160 1.00 0.00 N ATOM 0 H ARG A 93 -14.497 -10.359 -4.989 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.976 -10.935 -6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.218 -10.686 -7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.727 -10.648 -8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -16.405 -8.639 -6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.788 -8.636 -6.213 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.364 -7.219 -7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -14.131 -8.715 -8.836 1.00 0.00 H new ATOM 0 HE ARG A 93 -16.914 -7.938 -8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.732 -7.184 -10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.389 -6.525 -11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -17.749 -7.091 -10.835 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -16.653 -6.472 -12.075 1.00 0.00 H new ATOM 1429 N ILE A 94 -14.875 -13.423 -6.146 1.00 0.00 N ATOM 1430 CA ILE A 94 -14.727 -14.844 -6.439 1.00 0.00 C ATOM 1431 C ILE A 94 -15.413 -15.698 -5.378 1.00 0.00 C ATOM 1432 O ILE A 94 -16.143 -16.635 -5.699 1.00 0.00 O ATOM 1433 CB ILE A 94 -13.243 -15.248 -6.527 1.00 0.00 C ATOM 1434 CG1 ILE A 94 -12.498 -14.328 -7.497 1.00 0.00 C ATOM 1435 CG2 ILE A 94 -13.116 -16.701 -6.962 1.00 0.00 C ATOM 1436 CD1 ILE A 94 -10.997 -14.506 -7.466 1.00 0.00 C ATOM 0 H ILE A 94 -14.135 -13.033 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 94 -15.201 -15.019 -7.405 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.793 -15.144 -5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.857 -14.514 -8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -12.738 -13.292 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -12.062 -16.973 -7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.617 -17.343 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.578 -16.829 -7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.535 -13.822 -8.178 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.626 -14.292 -6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.747 -15.533 -7.734 1.00 0.00 H new ATOM 1448 N ALA A 95 -15.174 -15.366 -4.113 1.00 0.00 N ATOM 1449 CA ALA A 95 -15.772 -16.099 -3.005 1.00 0.00 C ATOM 1450 C ALA A 95 -17.295 -16.030 -3.058 1.00 0.00 C ATOM 1451 O ALA A 95 -17.982 -16.997 -2.727 1.00 0.00 O ATOM 1452 CB ALA A 95 -15.263 -15.558 -1.677 1.00 0.00 C ATOM 0 H ALA A 95 -14.570 -14.594 -3.831 1.00 0.00 H new ATOM 0 HA ALA A 95 -15.479 -17.145 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.718 -16.115 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.179 -15.667 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -15.526 -14.504 -1.589 1.00 0.00 H new ATOM 1458 N HIS A 96 -17.816 -14.881 -3.476 1.00 0.00 N ATOM 1459 CA HIS A 96 -19.258 -14.685 -3.571 1.00 0.00 C ATOM 1460 C HIS A 96 -19.737 -14.870 -5.008 1.00 0.00 C ATOM 1461 O HIS A 96 -19.536 -14.001 -5.857 1.00 0.00 O ATOM 1462 CB HIS A 96 -19.640 -13.293 -3.070 1.00 0.00 C ATOM 1463 CG HIS A 96 -20.293 -13.299 -1.723 1.00 0.00 C ATOM 1464 ND1 HIS A 96 -21.644 -13.090 -1.541 1.00 0.00 N ATOM 1465 CD2 HIS A 96 -19.775 -13.494 -0.487 1.00 0.00 C ATOM 1466 CE1 HIS A 96 -21.928 -13.154 -0.251 1.00 0.00 C ATOM 1467 NE2 HIS A 96 -20.810 -13.399 0.409 1.00 0.00 N ATOM 0 H HIS A 96 -17.261 -14.072 -3.754 1.00 0.00 H new ATOM 0 HA HIS A 96 -19.743 -15.433 -2.944 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -18.745 -12.673 -3.028 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -20.315 -12.830 -3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -18.739 -13.688 -0.250 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -22.907 -13.028 0.188 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -20.729 -13.501 1.421 1.00 0.00 H new ATOM 1475 N SER A 97 -20.370 -16.009 -5.274 1.00 0.00 N ATOM 1476 CA SER A 97 -20.873 -16.309 -6.609 1.00 0.00 C ATOM 1477 C SER A 97 -22.326 -15.866 -6.754 1.00 0.00 C ATOM 1478 O SER A 97 -23.226 -16.443 -6.147 1.00 0.00 O ATOM 1479 CB SER A 97 -20.754 -17.807 -6.896 1.00 0.00 C ATOM 1480 OG SER A 97 -21.601 -18.559 -6.043 1.00 0.00 O ATOM 0 H SER A 97 -20.546 -16.738 -4.583 1.00 0.00 H new ATOM 0 HA SER A 97 -20.270 -15.758 -7.331 1.00 0.00 H new ATOM 0 HB2 SER A 97 -21.014 -18.003 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 97 -19.720 -18.125 -6.760 1.00 0.00 H new ATOM 0 HG SER A 97 -22.365 -18.008 -5.772 1.00 0.00 H new ATOM 1486 N ALA A 98 -22.545 -14.835 -7.565 1.00 0.00 N ATOM 1487 CA ALA A 98 -23.886 -14.314 -7.793 1.00 0.00 C ATOM 1488 C ALA A 98 -23.914 -13.376 -8.995 1.00 0.00 C ATOM 1489 O ALA A 98 -24.668 -12.402 -9.017 1.00 0.00 O ATOM 1490 CB ALA A 98 -24.392 -13.598 -6.550 1.00 0.00 C ATOM 0 H ALA A 98 -21.810 -14.345 -8.075 1.00 0.00 H new ATOM 0 HA ALA A 98 -24.544 -15.156 -8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -25.395 -13.214 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -24.419 -14.296 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -23.725 -12.770 -6.310 1.00 0.00 H new ATOM 1496 N SER A 99 -23.089 -13.675 -9.992 1.00 0.00 N ATOM 1497 CA SER A 99 -23.016 -12.855 -11.196 1.00 0.00 C ATOM 1498 C SER A 99 -24.363 -12.816 -11.910 1.00 0.00 C ATOM 1499 O SER A 99 -25.309 -13.496 -11.511 1.00 0.00 O ATOM 1500 CB SER A 99 -21.940 -13.394 -12.142 1.00 0.00 C ATOM 1501 OG SER A 99 -22.327 -14.640 -12.696 1.00 0.00 O ATOM 0 H SER A 99 -22.461 -14.479 -9.991 1.00 0.00 H new ATOM 0 HA SER A 99 -22.753 -11.840 -10.898 1.00 0.00 H new ATOM 0 HB2 SER A 99 -21.762 -12.676 -12.942 1.00 0.00 H new ATOM 0 HB3 SER A 99 -21.000 -13.509 -11.602 1.00 0.00 H new ATOM 0 HG SER A 99 -21.624 -14.963 -13.298 1.00 0.00 H new ATOM 1507 N GLY A 100 -24.443 -12.016 -12.968 1.00 0.00 N ATOM 1508 CA GLY A 100 -25.679 -11.902 -13.721 1.00 0.00 C ATOM 1509 C GLY A 100 -25.439 -11.767 -15.211 1.00 0.00 C ATOM 1510 O GLY A 100 -25.049 -12.719 -15.889 1.00 0.00 O ATOM 0 H GLY A 100 -23.674 -11.444 -13.318 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.297 -12.780 -13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -26.239 -11.036 -13.366 1.00 0.00 H new ATOM 1514 N PRO A 101 -25.677 -10.560 -15.746 1.00 0.00 N ATOM 1515 CA PRO A 101 -25.491 -10.274 -17.172 1.00 0.00 C ATOM 1516 C PRO A 101 -24.021 -10.274 -17.577 1.00 0.00 C ATOM 1517 O PRO A 101 -23.272 -9.361 -17.228 1.00 0.00 O ATOM 1518 CB PRO A 101 -26.091 -8.876 -17.335 1.00 0.00 C ATOM 1519 CG PRO A 101 -25.980 -8.256 -15.985 1.00 0.00 C ATOM 1520 CD PRO A 101 -26.142 -9.379 -14.999 1.00 0.00 C ATOM 0 HA PRO A 101 -25.959 -11.029 -17.803 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.548 -8.297 -18.082 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.129 -8.927 -17.663 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -25.016 -7.763 -15.860 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -26.748 -7.496 -15.840 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -25.548 -9.213 -14.100 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -27.179 -9.488 -14.681 1.00 0.00 H new ATOM 1528 N SER A 102 -23.615 -11.302 -18.315 1.00 0.00 N ATOM 1529 CA SER A 102 -22.233 -11.420 -18.766 1.00 0.00 C ATOM 1530 C SER A 102 -22.152 -12.211 -20.069 1.00 0.00 C ATOM 1531 O SER A 102 -21.559 -11.757 -21.047 1.00 0.00 O ATOM 1532 CB SER A 102 -21.381 -12.099 -17.691 1.00 0.00 C ATOM 1533 OG SER A 102 -20.047 -12.274 -18.135 1.00 0.00 O ATOM 0 H SER A 102 -24.223 -12.065 -18.613 1.00 0.00 H new ATOM 0 HA SER A 102 -21.848 -10.416 -18.946 1.00 0.00 H new ATOM 0 HB2 SER A 102 -21.389 -11.498 -16.782 1.00 0.00 H new ATOM 0 HB3 SER A 102 -21.813 -13.067 -17.437 1.00 0.00 H new ATOM 0 HG SER A 102 -19.522 -12.708 -17.431 1.00 0.00 H new ATOM 1539 N SER A 103 -22.754 -13.395 -20.073 1.00 0.00 N ATOM 1540 CA SER A 103 -22.748 -14.252 -21.254 1.00 0.00 C ATOM 1541 C SER A 103 -23.996 -14.021 -22.099 1.00 0.00 C ATOM 1542 O SER A 103 -25.097 -14.422 -21.722 1.00 0.00 O ATOM 1543 CB SER A 103 -22.661 -15.723 -20.842 1.00 0.00 C ATOM 1544 OG SER A 103 -21.443 -16.303 -21.275 1.00 0.00 O ATOM 0 H SER A 103 -23.252 -13.784 -19.272 1.00 0.00 H new ATOM 0 HA SER A 103 -21.873 -13.998 -21.853 1.00 0.00 H new ATOM 0 HB2 SER A 103 -22.742 -15.806 -19.758 1.00 0.00 H new ATOM 0 HB3 SER A 103 -23.501 -16.273 -21.267 1.00 0.00 H new ATOM 0 HG SER A 103 -21.411 -17.242 -20.998 1.00 0.00 H new ATOM 1550 N GLY A 104 -23.816 -13.372 -23.245 1.00 0.00 N ATOM 1551 CA GLY A 104 -24.936 -13.098 -24.127 1.00 0.00 C ATOM 1552 C GLY A 104 -24.685 -13.566 -25.546 1.00 0.00 C ATOM 1553 O GLY A 104 -23.651 -14.170 -25.833 1.00 0.00 O ATOM 0 H GLY A 104 -22.915 -13.031 -23.579 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -25.829 -13.588 -23.739 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -25.137 -12.027 -24.131 1.00 0.00 H new TER 1557 GLY A 104