USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 980 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 111 ASN : amide:sc= 0.711 K(o=2.8,f=1.7) USER MOD Set 1.2: A 117 SER OG : rot 12:sc= 2.05 USER MOD Set 2.1: A 79 GLN : amide:sc= -1.72! C(o=-1.1!,f=-11!) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 138:sc= 0.67 (180deg=0) USER MOD Set 3.1: A 66 SER OG : rot 180:sc= -1.72! USER MOD Set 3.2: A 71 CYS SG : rot -154:sc= -3.84! USER MOD Set 4.1: A 23 SER OG : rot 23:sc= 0.469 USER MOD Set 4.2: A 24 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 1 LYS NZ :NH3+ 149:sc= 2.41 (180deg=0.957) USER MOD Single : A 5 THR OG1 : rot -36:sc= 0.709 USER MOD Single : A 7 ASN : amide:sc= -2.16! C(o=-2.2!,f=-18!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl -158:sc= -0.174 (180deg=-0.712) USER MOD Single : A -3 GLY N :NH3+ 175:sc= 2.45 (180deg=2.33) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= -0.0163 (180deg=-0.148) USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= -5.08! (180deg=-7.76!) USER MOD Single : A 17 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-7.7!) USER MOD Single : A 18 THR OG1 : rot -130:sc= -0.0378 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.1) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= 1.46 (180deg=0.909) USER MOD Single : A 30 THR OG1 : rot -73:sc= -1.57! USER MOD Single : A 42 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.029) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -152:sc= 1.11 USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.662) USER MOD Single : A 58 MET CE :methyl 167:sc= -2.83 (180deg=-3.24) USER MOD Single : A 60 THR OG1 : rot 33:sc= 0.85 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.02 F(o=-0.87,f=-0.02) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -1.82 F(o=-3.9!,f=-1.8) USER MOD Single : A 76 THR OG1 : rot -100:sc= -0.873 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.72 F(o=-4.1,f=-1.7) USER MOD Single : A 85 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.84) USER MOD Single : A 86 SER OG : rot 94:sc= 1.28 USER MOD Single : A 92 SER OG : rot -11:sc= 0.114 USER MOD Single : A 98 CYS SG : rot 147:sc= -1.3 USER MOD Single : A 101 TYR OH : rot -30:sc= -0.113 USER MOD Single : A 112 THR OG1 : rot 147:sc= 1.24 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 83:sc= -1.05 USER MOD Single : A 123 LYS NZ :NH3+ -172:sc=-0.00999 (180deg=-0.0829) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 99.168 -1.653 -16.354 1.00 0.00 N ATOM 2 CA GLY A -3 100.352 -2.378 -16.781 1.00 0.00 C ATOM 3 C GLY A -3 100.117 -3.848 -16.766 1.00 0.00 C ATOM 4 O GLY A -3 99.134 -4.320 -17.335 1.00 0.00 O ATOM 0 H1 GLY A -3 99.386 -0.638 -16.293 1.00 0.00 H new ATOM 0 H2 GLY A -3 98.403 -1.802 -17.042 1.00 0.00 H new ATOM 0 H3 GLY A -3 98.867 -1.999 -15.421 1.00 0.00 H new ATOM 0 HA2 GLY A -3 100.633 -2.062 -17.786 1.00 0.00 H new ATOM 0 HA3 GLY A -3 101.188 -2.134 -16.125 1.00 0.00 H new ATOM 10 N ALA A -2 100.996 -4.584 -16.098 1.00 0.00 N ATOM 11 CA ALA A -2 100.881 -6.030 -16.028 1.00 0.00 C ATOM 12 C ALA A -2 101.511 -6.580 -14.750 1.00 0.00 C ATOM 13 O ALA A -2 101.890 -7.754 -14.689 1.00 0.00 O ATOM 14 CB ALA A -2 101.521 -6.676 -17.253 1.00 0.00 C ATOM 0 H ALA A -2 101.797 -4.200 -15.597 1.00 0.00 H new ATOM 0 HA ALA A -2 99.820 -6.277 -16.011 1.00 0.00 H new ATOM 0 HB1 ALA A -2 101.426 -7.760 -17.184 1.00 0.00 H new ATOM 0 HB2 ALA A -2 101.019 -6.324 -18.154 1.00 0.00 H new ATOM 0 HB3 ALA A -2 102.576 -6.406 -17.297 1.00 0.00 H new ATOM 20 N MET A -1 101.616 -5.752 -13.736 1.00 0.00 N ATOM 21 CA MET A -1 102.236 -6.168 -12.485 1.00 0.00 C ATOM 22 C MET A -1 101.184 -6.635 -11.478 1.00 0.00 C ATOM 23 O MET A -1 101.333 -7.691 -10.836 1.00 0.00 O ATOM 24 CB MET A -1 103.089 -5.038 -11.902 1.00 0.00 C ATOM 25 CG MET A -1 103.827 -5.413 -10.626 1.00 0.00 C ATOM 26 SD MET A -1 104.885 -4.083 -9.999 1.00 0.00 S ATOM 27 CE MET A -1 106.040 -3.894 -11.368 1.00 0.00 C ATOM 0 H MET A -1 101.283 -4.788 -13.746 1.00 0.00 H new ATOM 0 HA MET A -1 102.891 -7.013 -12.697 1.00 0.00 H new ATOM 0 HB2 MET A -1 103.816 -4.723 -12.650 1.00 0.00 H new ATOM 0 HB3 MET A -1 102.448 -4.180 -11.700 1.00 0.00 H new ATOM 0 HG2 MET A -1 103.101 -5.683 -9.859 1.00 0.00 H new ATOM 0 HG3 MET A -1 104.437 -6.297 -10.813 1.00 0.00 H new ATOM 0 HE1 MET A -1 106.956 -3.424 -11.009 1.00 0.00 H new ATOM 0 HE2 MET A -1 106.274 -4.874 -11.784 1.00 0.00 H new ATOM 0 HE3 MET A -1 105.590 -3.270 -12.140 1.00 0.00 H new ATOM 37 N GLY A 0 100.134 -5.870 -11.332 1.00 0.00 N ATOM 38 CA GLY A 0 99.084 -6.246 -10.438 1.00 0.00 C ATOM 39 C GLY A 0 97.966 -6.875 -11.205 1.00 0.00 C ATOM 40 O GLY A 0 97.793 -8.099 -11.176 1.00 0.00 O ATOM 0 H GLY A 0 99.988 -4.987 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 0 99.463 -6.944 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 0 98.721 -5.370 -9.901 1.00 0.00 H new ATOM 44 N LYS A 1 97.267 -6.040 -11.953 1.00 0.00 N ATOM 45 CA LYS A 1 96.119 -6.426 -12.787 1.00 0.00 C ATOM 46 C LYS A 1 95.093 -7.253 -12.009 1.00 0.00 C ATOM 47 O LYS A 1 94.917 -8.458 -12.252 1.00 0.00 O ATOM 48 CB LYS A 1 96.577 -7.131 -14.071 1.00 0.00 C ATOM 49 CG LYS A 1 97.499 -6.271 -14.925 1.00 0.00 C ATOM 50 CD LYS A 1 96.815 -5.000 -15.395 1.00 0.00 C ATOM 51 CE LYS A 1 95.730 -5.268 -16.400 1.00 0.00 C ATOM 52 NZ LYS A 1 95.031 -4.032 -16.760 1.00 0.00 N ATOM 0 H LYS A 1 97.480 -5.044 -12.006 1.00 0.00 H new ATOM 0 HA LYS A 1 95.611 -5.509 -13.084 1.00 0.00 H new ATOM 0 HB2 LYS A 1 97.092 -8.055 -13.808 1.00 0.00 H new ATOM 0 HB3 LYS A 1 95.702 -7.410 -14.658 1.00 0.00 H new ATOM 0 HG2 LYS A 1 98.389 -6.013 -14.351 1.00 0.00 H new ATOM 0 HG3 LYS A 1 97.832 -6.845 -15.790 1.00 0.00 H new ATOM 0 HD2 LYS A 1 96.390 -4.481 -14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 1 97.557 -4.333 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 1 96.161 -5.720 -17.294 1.00 0.00 H new ATOM 0 HE3 LYS A 1 95.019 -5.986 -15.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 94.698 -4.095 -17.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 94.217 -3.897 -16.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 95.681 -3.226 -16.666 1.00 0.00 H new ATOM 66 N PRO A 2 94.415 -6.621 -11.052 1.00 0.00 N ATOM 67 CA PRO A 2 93.443 -7.271 -10.224 1.00 0.00 C ATOM 68 C PRO A 2 92.026 -7.053 -10.757 1.00 0.00 C ATOM 69 O PRO A 2 91.827 -6.568 -11.883 1.00 0.00 O ATOM 70 CB PRO A 2 93.631 -6.532 -8.893 1.00 0.00 C ATOM 71 CG PRO A 2 94.068 -5.140 -9.266 1.00 0.00 C ATOM 72 CD PRO A 2 94.529 -5.192 -10.703 1.00 0.00 C ATOM 0 HA PRO A 2 93.569 -8.352 -10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 2 92.704 -6.512 -8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 2 94.379 -7.025 -8.272 1.00 0.00 H new ATOM 0 HG2 PRO A 2 93.246 -4.434 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 2 94.874 -4.801 -8.615 1.00 0.00 H new ATOM 0 HD2 PRO A 2 93.906 -4.571 -11.347 1.00 0.00 H new ATOM 0 HD3 PRO A 2 95.553 -4.834 -10.809 1.00 0.00 H new ATOM 80 N PHE A 3 91.058 -7.411 -9.952 1.00 0.00 N ATOM 81 CA PHE A 3 89.699 -7.207 -10.250 1.00 0.00 C ATOM 82 C PHE A 3 89.387 -5.805 -9.840 1.00 0.00 C ATOM 83 O PHE A 3 89.286 -5.508 -8.664 1.00 0.00 O ATOM 84 CB PHE A 3 88.885 -8.202 -9.442 1.00 0.00 C ATOM 85 CG PHE A 3 87.407 -8.010 -9.491 1.00 0.00 C ATOM 86 CD1 PHE A 3 86.649 -8.635 -10.445 1.00 0.00 C ATOM 87 CD2 PHE A 3 86.785 -7.216 -8.553 1.00 0.00 C ATOM 88 CE1 PHE A 3 85.277 -8.470 -10.475 1.00 0.00 C ATOM 89 CE2 PHE A 3 85.419 -7.042 -8.566 1.00 0.00 C ATOM 90 CZ PHE A 3 84.661 -7.672 -9.533 1.00 0.00 C ATOM 0 H PHE A 3 91.218 -7.863 -9.052 1.00 0.00 H new ATOM 0 HA PHE A 3 89.469 -7.350 -11.306 1.00 0.00 H new ATOM 0 HB2 PHE A 3 89.116 -9.207 -9.796 1.00 0.00 H new ATOM 0 HB3 PHE A 3 89.207 -8.149 -8.402 1.00 0.00 H new ATOM 0 HD1 PHE A 3 87.128 -9.263 -11.181 1.00 0.00 H new ATOM 0 HD2 PHE A 3 87.377 -6.723 -7.796 1.00 0.00 H new ATOM 0 HE1 PHE A 3 84.689 -8.964 -11.234 1.00 0.00 H new ATOM 0 HE2 PHE A 3 84.944 -6.417 -7.825 1.00 0.00 H new ATOM 0 HZ PHE A 3 83.589 -7.541 -9.552 1.00 0.00 H new ATOM 100 N PHE A 4 89.271 -4.967 -10.781 1.00 0.00 N ATOM 101 CA PHE A 4 89.057 -3.589 -10.533 1.00 0.00 C ATOM 102 C PHE A 4 87.717 -3.199 -11.094 1.00 0.00 C ATOM 103 O PHE A 4 87.445 -3.405 -12.272 1.00 0.00 O ATOM 104 CB PHE A 4 90.151 -2.792 -11.207 1.00 0.00 C ATOM 105 CG PHE A 4 90.332 -1.404 -10.681 1.00 0.00 C ATOM 106 CD1 PHE A 4 89.366 -0.454 -10.809 1.00 0.00 C ATOM 107 CD2 PHE A 4 91.497 -1.062 -10.065 1.00 0.00 C ATOM 108 CE1 PHE A 4 89.573 0.817 -10.310 1.00 0.00 C ATOM 109 CE2 PHE A 4 91.700 0.201 -9.581 1.00 0.00 C ATOM 110 CZ PHE A 4 90.738 1.120 -9.704 1.00 0.00 C ATOM 0 H PHE A 4 89.321 -5.213 -11.770 1.00 0.00 H new ATOM 0 HA PHE A 4 89.075 -3.388 -9.462 1.00 0.00 H new ATOM 0 HB2 PHE A 4 91.092 -3.331 -11.100 1.00 0.00 H new ATOM 0 HB3 PHE A 4 89.935 -2.736 -12.274 1.00 0.00 H new ATOM 0 HD1 PHE A 4 88.436 -0.695 -11.302 1.00 0.00 H new ATOM 0 HD2 PHE A 4 92.276 -1.802 -9.956 1.00 0.00 H new ATOM 0 HE1 PHE A 4 88.802 1.567 -10.405 1.00 0.00 H new ATOM 0 HE2 PHE A 4 92.634 0.454 -9.101 1.00 0.00 H new ATOM 0 HZ PHE A 4 90.895 2.115 -9.314 1.00 0.00 H new ATOM 120 N THR A 5 86.891 -2.640 -10.274 1.00 0.00 N ATOM 121 CA THR A 5 85.578 -2.265 -10.711 1.00 0.00 C ATOM 122 C THR A 5 85.234 -0.860 -10.232 1.00 0.00 C ATOM 123 O THR A 5 84.085 -0.478 -10.163 1.00 0.00 O ATOM 124 CB THR A 5 84.553 -3.336 -10.261 1.00 0.00 C ATOM 125 OG1 THR A 5 83.203 -3.024 -10.662 1.00 0.00 O ATOM 126 CG2 THR A 5 84.634 -3.556 -8.757 1.00 0.00 C ATOM 0 H THR A 5 87.097 -2.431 -9.297 1.00 0.00 H new ATOM 0 HA THR A 5 85.544 -2.228 -11.800 1.00 0.00 H new ATOM 0 HB THR A 5 84.821 -4.262 -10.770 1.00 0.00 H new ATOM 0 HG1 THR A 5 83.060 -2.056 -10.605 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.907 -4.312 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 5 85.636 -3.893 -8.492 1.00 0.00 H new ATOM 0 HG23 THR A 5 84.417 -2.621 -8.240 1.00 0.00 H new ATOM 134 N ARG A 6 86.292 -0.116 -9.891 1.00 0.00 N ATOM 135 CA ARG A 6 86.278 1.332 -9.531 1.00 0.00 C ATOM 136 C ARG A 6 85.305 1.717 -8.395 1.00 0.00 C ATOM 137 O ARG A 6 85.157 2.892 -8.071 1.00 0.00 O ATOM 138 CB ARG A 6 86.013 2.157 -10.800 1.00 0.00 C ATOM 139 CG ARG A 6 86.731 1.579 -12.022 1.00 0.00 C ATOM 140 CD ARG A 6 86.717 2.493 -13.214 1.00 0.00 C ATOM 141 NE ARG A 6 85.408 2.563 -13.872 1.00 0.00 N ATOM 142 CZ ARG A 6 85.088 3.427 -14.844 1.00 0.00 C ATOM 143 NH1 ARG A 6 85.945 4.378 -15.207 1.00 0.00 N ATOM 144 NH2 ARG A 6 83.908 3.340 -15.448 1.00 0.00 N ATOM 0 H ARG A 6 87.231 -0.512 -9.852 1.00 0.00 H new ATOM 0 HA ARG A 6 87.261 1.560 -9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 6 84.941 2.191 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 6 86.341 3.184 -10.639 1.00 0.00 H new ATOM 0 HG2 ARG A 6 87.765 1.359 -11.755 1.00 0.00 H new ATOM 0 HG3 ARG A 6 86.263 0.633 -12.294 1.00 0.00 H new ATOM 0 HD2 ARG A 6 87.013 3.494 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 6 87.461 2.152 -13.934 1.00 0.00 H new ATOM 0 HE ARG A 6 84.690 1.906 -13.567 1.00 0.00 H new ATOM 0 HH11 ARG A 6 86.851 4.452 -14.744 1.00 0.00 H new ATOM 0 HH12 ARG A 6 85.696 5.033 -15.948 1.00 0.00 H new ATOM 0 HH21 ARG A 6 83.246 2.615 -15.171 1.00 0.00 H new ATOM 0 HH22 ARG A 6 83.664 3.998 -16.188 1.00 0.00 H new ATOM 158 N ASN A 7 84.688 0.744 -7.797 1.00 0.00 N ATOM 159 CA ASN A 7 83.740 0.962 -6.750 1.00 0.00 C ATOM 160 C ASN A 7 84.000 0.025 -5.565 1.00 0.00 C ATOM 161 O ASN A 7 84.063 -1.198 -5.724 1.00 0.00 O ATOM 162 CB ASN A 7 82.335 0.772 -7.312 1.00 0.00 C ATOM 163 CG ASN A 7 81.249 0.835 -6.261 1.00 0.00 C ATOM 164 OD1 ASN A 7 80.889 -0.154 -5.726 1.00 0.00 O ATOM 165 ND2 ASN A 7 80.763 1.977 -5.937 1.00 0.00 N ATOM 0 H ASN A 7 84.832 -0.239 -8.027 1.00 0.00 H new ATOM 0 HA ASN A 7 83.841 1.980 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 7 82.147 1.539 -8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 7 82.283 -0.191 -7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 7 80.054 2.041 -5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 7 81.086 2.821 -6.410 1.00 0.00 H new ATOM 172 N PRO A 8 84.188 0.616 -4.372 1.00 0.00 N ATOM 173 CA PRO A 8 84.437 -0.108 -3.090 1.00 0.00 C ATOM 174 C PRO A 8 83.271 -0.992 -2.623 1.00 0.00 C ATOM 175 O PRO A 8 83.410 -1.781 -1.695 1.00 0.00 O ATOM 176 CB PRO A 8 84.621 1.023 -2.077 1.00 0.00 C ATOM 177 CG PRO A 8 84.075 2.239 -2.733 1.00 0.00 C ATOM 178 CD PRO A 8 84.247 2.071 -4.182 1.00 0.00 C ATOM 0 HA PRO A 8 85.281 -0.788 -3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 8 84.092 0.808 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 8 85.673 1.154 -1.822 1.00 0.00 H new ATOM 0 HG2 PRO A 8 83.022 2.369 -2.484 1.00 0.00 H new ATOM 0 HG3 PRO A 8 84.597 3.130 -2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.461 2.580 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 8 85.198 2.481 -4.523 1.00 0.00 H new ATOM 186 N SER A 9 82.136 -0.827 -3.226 1.00 0.00 N ATOM 187 CA SER A 9 80.980 -1.599 -2.876 1.00 0.00 C ATOM 188 C SER A 9 80.953 -2.868 -3.756 1.00 0.00 C ATOM 189 O SER A 9 80.601 -3.968 -3.303 1.00 0.00 O ATOM 190 CB SER A 9 79.725 -0.718 -3.073 1.00 0.00 C ATOM 191 OG SER A 9 78.539 -1.379 -2.668 1.00 0.00 O ATOM 0 H SER A 9 81.982 -0.153 -3.976 1.00 0.00 H new ATOM 0 HA SER A 9 81.005 -1.917 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 9 79.838 0.205 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 9 79.642 -0.436 -4.123 1.00 0.00 H new ATOM 0 HG SER A 9 77.771 -0.787 -2.808 1.00 0.00 H new ATOM 197 N GLU A 10 81.369 -2.693 -4.992 1.00 0.00 N ATOM 198 CA GLU A 10 81.456 -3.743 -5.972 1.00 0.00 C ATOM 199 C GLU A 10 82.645 -4.648 -5.682 1.00 0.00 C ATOM 200 O GLU A 10 82.555 -5.866 -5.817 1.00 0.00 O ATOM 201 CB GLU A 10 81.570 -3.114 -7.352 1.00 0.00 C ATOM 202 CG GLU A 10 80.303 -2.434 -7.821 1.00 0.00 C ATOM 203 CD GLU A 10 79.188 -3.411 -8.051 1.00 0.00 C ATOM 204 OE1 GLU A 10 79.431 -4.474 -8.643 1.00 0.00 O ATOM 205 OE2 GLU A 10 78.044 -3.143 -7.622 1.00 0.00 O ATOM 0 H GLU A 10 81.665 -1.785 -5.349 1.00 0.00 H new ATOM 0 HA GLU A 10 80.559 -4.361 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.380 -2.385 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.844 -3.886 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.992 -1.698 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.504 -1.891 -8.744 1.00 0.00 H new ATOM 212 N LEU A 11 83.745 -4.052 -5.262 1.00 0.00 N ATOM 213 CA LEU A 11 84.923 -4.812 -4.875 1.00 0.00 C ATOM 214 C LEU A 11 84.665 -5.484 -3.545 1.00 0.00 C ATOM 215 O LEU A 11 83.777 -5.069 -2.794 1.00 0.00 O ATOM 216 CB LEU A 11 86.184 -3.906 -4.814 1.00 0.00 C ATOM 217 CG LEU A 11 87.457 -4.556 -4.304 1.00 0.00 C ATOM 218 CD1 LEU A 11 87.945 -5.610 -5.268 1.00 0.00 C ATOM 219 CD2 LEU A 11 88.517 -3.518 -3.994 1.00 0.00 C ATOM 0 H LEU A 11 83.849 -3.041 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 11 85.118 -5.575 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 11 86.375 -3.519 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 11 85.959 -3.050 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 11 87.233 -5.062 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 11 88.858 -6.062 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 11 87.181 -6.379 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 11 88.149 -5.152 -6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 11 89.417 -4.014 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 11 88.752 -2.957 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 11 88.145 -2.836 -3.230 1.00 0.00 H new ATOM 231 N LYS A 12 85.415 -6.523 -3.257 1.00 0.00 N ATOM 232 CA LYS A 12 85.238 -7.248 -2.082 1.00 0.00 C ATOM 233 C LYS A 12 86.493 -7.180 -1.286 1.00 0.00 C ATOM 234 O LYS A 12 87.440 -6.486 -1.675 1.00 0.00 O ATOM 235 CB LYS A 12 84.885 -8.656 -2.403 1.00 0.00 C ATOM 236 CG LYS A 12 83.667 -8.774 -3.277 1.00 0.00 C ATOM 237 CD LYS A 12 83.175 -10.197 -3.342 1.00 0.00 C ATOM 238 CE LYS A 12 81.917 -10.324 -4.195 1.00 0.00 C ATOM 239 NZ LYS A 12 80.768 -9.576 -3.635 1.00 0.00 N ATOM 0 H LYS A 12 86.164 -6.868 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 12 84.421 -6.824 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 12 85.730 -9.132 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 12 84.713 -9.202 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 12 82.876 -8.131 -2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 12 83.902 -8.422 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 12 83.958 -10.834 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 12 82.968 -10.556 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 12 82.127 -9.960 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 12 81.650 -11.377 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 79.900 -9.842 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 80.664 -9.805 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 80.933 -8.555 -3.743 1.00 0.00 H new ATOM 253 N GLY A 13 86.539 -7.891 -0.223 1.00 0.00 N ATOM 254 CA GLY A 13 87.664 -7.790 0.633 1.00 0.00 C ATOM 255 C GLY A 13 87.224 -7.505 2.037 1.00 0.00 C ATOM 256 O GLY A 13 86.295 -8.118 2.574 1.00 0.00 O ATOM 0 H GLY A 13 85.817 -8.546 0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 13 88.236 -8.718 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 13 88.326 -6.997 0.284 1.00 0.00 H new ATOM 260 N LYS A 14 87.848 -6.559 2.581 1.00 0.00 N ATOM 261 CA LYS A 14 87.620 -6.022 3.873 1.00 0.00 C ATOM 262 C LYS A 14 87.790 -4.574 3.676 1.00 0.00 C ATOM 263 O LYS A 14 88.756 -4.177 3.109 1.00 0.00 O ATOM 264 CB LYS A 14 88.704 -6.583 4.774 1.00 0.00 C ATOM 265 CG LYS A 14 88.741 -6.075 6.182 1.00 0.00 C ATOM 266 CD LYS A 14 90.074 -5.408 6.454 1.00 0.00 C ATOM 267 CE LYS A 14 90.210 -4.091 5.640 1.00 0.00 C ATOM 268 NZ LYS A 14 91.462 -3.312 5.837 1.00 0.00 N ATOM 0 H LYS A 14 88.610 -6.082 2.100 1.00 0.00 H new ATOM 0 HA LYS A 14 86.651 -6.253 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 14 88.592 -7.667 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 14 89.670 -6.376 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 14 87.930 -5.365 6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 14 88.587 -6.899 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 14 90.168 -5.194 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 14 90.885 -6.087 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 14 90.123 -4.335 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 14 89.366 -3.448 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 91.251 -2.295 5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 91.863 -3.530 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 92.149 -3.566 5.098 1.00 0.00 H new ATOM 282 N PHE A 15 86.877 -3.797 4.074 1.00 0.00 N ATOM 283 CA PHE A 15 86.987 -2.373 3.851 1.00 0.00 C ATOM 284 C PHE A 15 86.915 -1.648 5.137 1.00 0.00 C ATOM 285 O PHE A 15 85.959 -1.805 5.895 1.00 0.00 O ATOM 286 CB PHE A 15 85.963 -1.831 2.861 1.00 0.00 C ATOM 287 CG PHE A 15 86.064 -2.370 1.450 1.00 0.00 C ATOM 288 CD1 PHE A 15 86.887 -1.760 0.507 1.00 0.00 C ATOM 289 CD2 PHE A 15 85.305 -3.456 1.056 1.00 0.00 C ATOM 290 CE1 PHE A 15 86.940 -2.232 -0.792 1.00 0.00 C ATOM 291 CE2 PHE A 15 85.353 -3.920 -0.243 1.00 0.00 C ATOM 292 CZ PHE A 15 86.173 -3.304 -1.170 1.00 0.00 C ATOM 0 H PHE A 15 86.031 -4.095 4.560 1.00 0.00 H new ATOM 0 HA PHE A 15 87.961 -2.203 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 15 84.965 -2.049 3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 15 86.060 -0.746 2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 15 87.490 -0.910 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 15 84.666 -3.948 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 15 87.588 -1.754 -1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 15 84.749 -4.766 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 15 86.209 -3.665 -2.187 1.00 0.00 H new ATOM 302 N ILE A 16 87.917 -0.882 5.398 1.00 0.00 N ATOM 303 CA ILE A 16 88.015 -0.136 6.615 1.00 0.00 C ATOM 304 C ILE A 16 88.380 1.268 6.291 1.00 0.00 C ATOM 305 O ILE A 16 89.297 1.518 5.507 1.00 0.00 O ATOM 306 CB ILE A 16 89.056 -0.748 7.575 1.00 0.00 C ATOM 307 CG1 ILE A 16 88.616 -2.160 7.919 1.00 0.00 C ATOM 308 CG2 ILE A 16 89.160 0.105 8.844 1.00 0.00 C ATOM 309 CD1 ILE A 16 89.678 -3.041 8.517 1.00 0.00 C ATOM 0 H ILE A 16 88.706 -0.751 4.765 1.00 0.00 H new ATOM 0 HA ILE A 16 87.050 -0.166 7.121 1.00 0.00 H new ATOM 0 HB ILE A 16 90.038 -0.774 7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 16 87.781 -2.102 8.617 1.00 0.00 H new ATOM 0 HG13 ILE A 16 88.241 -2.636 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 16 89.897 -0.333 9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 16 89.467 1.117 8.578 1.00 0.00 H new ATOM 0 HG23 ILE A 16 88.190 0.139 9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 16 89.259 -4.026 8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 16 90.506 -3.140 7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 16 90.039 -2.597 9.445 1.00 0.00 H new ATOM 321 N HIS A 17 87.666 2.161 6.864 1.00 0.00 N ATOM 322 CA HIS A 17 87.855 3.531 6.629 1.00 0.00 C ATOM 323 C HIS A 17 88.589 4.094 7.826 1.00 0.00 C ATOM 324 O HIS A 17 88.060 4.103 8.938 1.00 0.00 O ATOM 325 CB HIS A 17 86.499 4.157 6.481 1.00 0.00 C ATOM 326 CG HIS A 17 86.486 5.386 5.646 1.00 0.00 C ATOM 327 ND1 HIS A 17 86.115 5.409 4.319 1.00 0.00 N ATOM 328 CD2 HIS A 17 86.813 6.638 5.965 1.00 0.00 C ATOM 329 CE1 HIS A 17 86.240 6.656 3.878 1.00 0.00 C ATOM 330 NE2 HIS A 17 86.657 7.452 4.845 1.00 0.00 N ATOM 0 H HIS A 17 86.918 1.950 7.524 1.00 0.00 H new ATOM 0 HA HIS A 17 88.435 3.727 5.727 1.00 0.00 H new ATOM 0 HB2 HIS A 17 85.819 3.426 6.043 1.00 0.00 H new ATOM 0 HB3 HIS A 17 86.112 4.399 7.471 1.00 0.00 H new ATOM 0 HD1 HIS A 17 85.800 4.609 3.771 1.00 0.00 H new ATOM 0 HD2 HIS A 17 87.146 6.969 6.938 1.00 0.00 H new ATOM 0 HE1 HIS A 17 86.029 6.975 2.868 1.00 0.00 H new ATOM 338 N THR A 18 89.787 4.510 7.608 1.00 0.00 N ATOM 339 CA THR A 18 90.628 5.004 8.648 1.00 0.00 C ATOM 340 C THR A 18 91.390 6.227 8.180 1.00 0.00 C ATOM 341 O THR A 18 91.839 6.309 7.051 1.00 0.00 O ATOM 342 CB THR A 18 91.633 3.927 9.165 1.00 0.00 C ATOM 343 OG1 THR A 18 92.503 4.509 10.140 1.00 0.00 O ATOM 344 CG2 THR A 18 92.464 3.339 8.030 1.00 0.00 C ATOM 0 H THR A 18 90.221 4.518 6.685 1.00 0.00 H new ATOM 0 HA THR A 18 89.974 5.273 9.478 1.00 0.00 H new ATOM 0 HB THR A 18 91.054 3.119 9.613 1.00 0.00 H new ATOM 0 HG1 THR A 18 93.433 4.298 9.916 1.00 0.00 H new ATOM 0 HG21 THR A 18 93.151 2.594 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 18 91.804 2.869 7.301 1.00 0.00 H new ATOM 0 HG23 THR A 18 93.032 4.133 7.546 1.00 0.00 H new ATOM 352 N LYS A 19 91.541 7.134 9.063 1.00 0.00 N ATOM 353 CA LYS A 19 92.235 8.361 8.833 1.00 0.00 C ATOM 354 C LYS A 19 93.706 8.208 9.102 1.00 0.00 C ATOM 355 O LYS A 19 94.114 7.599 10.092 1.00 0.00 O ATOM 356 CB LYS A 19 91.532 9.482 9.668 1.00 0.00 C ATOM 357 CG LYS A 19 92.338 10.737 10.044 1.00 0.00 C ATOM 358 CD LYS A 19 93.372 10.469 11.179 1.00 0.00 C ATOM 359 CE LYS A 19 92.702 9.910 12.432 1.00 0.00 C ATOM 360 NZ LYS A 19 93.663 9.571 13.501 1.00 0.00 N ATOM 0 H LYS A 19 91.173 7.049 10.010 1.00 0.00 H new ATOM 0 HA LYS A 19 92.183 8.654 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 19 90.654 9.808 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 19 91.173 9.030 10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 19 92.861 11.106 9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 19 91.652 11.523 10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 19 94.127 9.766 10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 19 93.890 11.396 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 19 91.988 10.641 12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 19 92.134 9.018 12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 93.163 9.509 14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 94.110 8.656 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 94.394 10.309 13.558 1.00 0.00 H new ATOM 374 N LEU A 20 94.487 8.709 8.182 1.00 0.00 N ATOM 375 CA LEU A 20 95.897 8.740 8.340 1.00 0.00 C ATOM 376 C LEU A 20 96.278 10.169 8.569 1.00 0.00 C ATOM 377 O LEU A 20 96.020 11.024 7.734 1.00 0.00 O ATOM 378 CB LEU A 20 96.622 8.172 7.101 1.00 0.00 C ATOM 379 CG LEU A 20 98.062 7.614 7.312 1.00 0.00 C ATOM 380 CD1 LEU A 20 99.009 8.616 7.915 1.00 0.00 C ATOM 381 CD2 LEU A 20 98.013 6.410 8.195 1.00 0.00 C ATOM 0 H LEU A 20 94.152 9.105 7.304 1.00 0.00 H new ATOM 0 HA LEU A 20 96.195 8.115 9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 20 96.007 7.373 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.671 8.959 6.348 1.00 0.00 H new ATOM 0 HG LEU A 20 98.441 7.362 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 20 99.992 8.161 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 20 99.087 9.483 7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.634 8.930 8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 20 99.022 6.024 8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.588 6.684 9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 20 97.394 5.643 7.730 1.00 0.00 H new ATOM 393 N ARG A 21 96.826 10.438 9.701 1.00 0.00 N ATOM 394 CA ARG A 21 97.263 11.751 10.009 1.00 0.00 C ATOM 395 C ARG A 21 98.560 12.039 9.318 1.00 0.00 C ATOM 396 O ARG A 21 99.576 11.409 9.611 1.00 0.00 O ATOM 397 CB ARG A 21 97.394 11.956 11.519 1.00 0.00 C ATOM 398 CG ARG A 21 98.067 13.274 11.935 1.00 0.00 C ATOM 399 CD ARG A 21 98.158 13.379 13.448 1.00 0.00 C ATOM 400 NE ARG A 21 98.897 14.567 13.893 1.00 0.00 N ATOM 401 CZ ARG A 21 98.508 15.416 14.860 1.00 0.00 C ATOM 402 NH1 ARG A 21 97.281 15.346 15.375 1.00 0.00 N ATOM 403 NH2 ARG A 21 99.346 16.347 15.285 1.00 0.00 N ATOM 0 H ARG A 21 96.984 9.752 10.440 1.00 0.00 H new ATOM 0 HA ARG A 21 96.511 12.452 9.648 1.00 0.00 H new ATOM 0 HB2 ARG A 21 96.400 11.916 11.964 1.00 0.00 H new ATOM 0 HB3 ARG A 21 97.964 11.126 11.936 1.00 0.00 H new ATOM 0 HG2 ARG A 21 99.065 13.331 11.501 1.00 0.00 H new ATOM 0 HG3 ARG A 21 97.500 14.117 11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 21 97.152 13.405 13.867 1.00 0.00 H new ATOM 0 HD3 ARG A 21 98.644 12.486 13.841 1.00 0.00 H new ATOM 0 HE ARG A 21 99.783 14.765 13.428 1.00 0.00 H new ATOM 0 HH11 ARG A 21 96.625 14.642 15.036 1.00 0.00 H new ATOM 0 HH12 ARG A 21 96.998 15.996 16.108 1.00 0.00 H new ATOM 0 HH21 ARG A 21 100.279 16.417 14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 21 99.059 16.995 16.018 1.00 0.00 H new ATOM 417 N LYS A 22 98.504 12.923 8.340 1.00 0.00 N ATOM 418 CA LYS A 22 99.682 13.446 7.740 1.00 0.00 C ATOM 419 C LYS A 22 100.364 14.245 8.830 1.00 0.00 C ATOM 420 O LYS A 22 100.039 15.362 9.080 1.00 0.00 O ATOM 421 CB LYS A 22 99.296 14.315 6.505 1.00 0.00 C ATOM 422 CG LYS A 22 100.474 14.923 5.757 1.00 0.00 C ATOM 423 CD LYS A 22 100.153 15.320 4.315 1.00 0.00 C ATOM 424 CE LYS A 22 101.444 15.637 3.545 1.00 0.00 C ATOM 425 NZ LYS A 22 101.247 15.783 2.095 1.00 0.00 N ATOM 0 H LYS A 22 97.635 13.288 7.951 1.00 0.00 H new ATOM 0 HA LYS A 22 100.354 12.675 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 22 98.722 13.700 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 22 98.640 15.120 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 22 100.820 15.804 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 22 101.297 14.208 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 22 99.616 14.511 3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 22 99.496 16.189 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 22 101.875 16.558 3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 22 102.169 14.843 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 102.159 15.674 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 100.586 15.054 1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 100.856 16.725 1.891 1.00 0.00 H new ATOM 439 N SER A 23 101.292 13.615 9.454 1.00 0.00 N ATOM 440 CA SER A 23 101.983 14.113 10.601 1.00 0.00 C ATOM 441 C SER A 23 103.215 14.894 10.138 1.00 0.00 C ATOM 442 O SER A 23 103.229 15.417 9.019 1.00 0.00 O ATOM 443 CB SER A 23 102.350 12.894 11.490 1.00 0.00 C ATOM 444 OG SER A 23 102.914 13.274 12.748 1.00 0.00 O ATOM 0 H SER A 23 101.611 12.689 9.168 1.00 0.00 H new ATOM 0 HA SER A 23 101.370 14.798 11.187 1.00 0.00 H new ATOM 0 HB2 SER A 23 101.456 12.295 11.664 1.00 0.00 H new ATOM 0 HB3 SER A 23 103.059 12.261 10.956 1.00 0.00 H new ATOM 0 HG SER A 23 102.638 14.188 12.968 1.00 0.00 H new ATOM 450 N SER A 24 104.213 14.983 10.987 1.00 0.00 N ATOM 451 CA SER A 24 105.449 15.675 10.704 1.00 0.00 C ATOM 452 C SER A 24 106.114 15.097 9.437 1.00 0.00 C ATOM 453 O SER A 24 106.656 15.830 8.615 1.00 0.00 O ATOM 454 CB SER A 24 106.347 15.514 11.913 1.00 0.00 C ATOM 455 OG SER A 24 105.613 15.793 13.102 1.00 0.00 O ATOM 0 H SER A 24 104.187 14.565 11.917 1.00 0.00 H new ATOM 0 HA SER A 24 105.264 16.732 10.513 1.00 0.00 H new ATOM 0 HB2 SER A 24 106.744 14.499 11.950 1.00 0.00 H new ATOM 0 HB3 SER A 24 107.200 16.188 11.835 1.00 0.00 H new ATOM 0 HG SER A 24 106.198 15.686 13.881 1.00 0.00 H new ATOM 461 N ARG A 25 106.037 13.783 9.289 1.00 0.00 N ATOM 462 CA ARG A 25 106.526 13.093 8.106 1.00 0.00 C ATOM 463 C ARG A 25 105.407 12.983 7.072 1.00 0.00 C ATOM 464 O ARG A 25 105.646 12.690 5.900 1.00 0.00 O ATOM 465 CB ARG A 25 107.029 11.689 8.473 1.00 0.00 C ATOM 466 CG ARG A 25 108.288 11.637 9.352 1.00 0.00 C ATOM 467 CD ARG A 25 109.555 12.034 8.588 1.00 0.00 C ATOM 468 NE ARG A 25 109.570 13.443 8.154 1.00 0.00 N ATOM 469 CZ ARG A 25 110.012 13.882 6.954 1.00 0.00 C ATOM 470 NH1 ARG A 25 110.478 13.015 6.041 1.00 0.00 N ATOM 471 NH2 ARG A 25 109.997 15.183 6.682 1.00 0.00 N ATOM 0 H ARG A 25 105.631 13.163 9.990 1.00 0.00 H new ATOM 0 HA ARG A 25 107.354 13.664 7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 25 106.227 11.160 8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 25 107.230 11.143 7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 25 108.159 12.303 10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 25 108.408 10.629 9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 25 110.423 11.849 9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 25 109.656 11.393 7.713 1.00 0.00 H new ATOM 0 HE ARG A 25 109.220 14.141 8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 25 110.500 12.017 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 25 110.810 13.354 5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 25 109.653 15.845 7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 25 110.329 15.519 5.778 1.00 0.00 H new ATOM 485 N GLY A 26 104.189 13.224 7.515 1.00 0.00 N ATOM 486 CA GLY A 26 103.066 13.135 6.692 1.00 0.00 C ATOM 487 C GLY A 26 102.472 11.765 6.816 1.00 0.00 C ATOM 488 O GLY A 26 102.046 11.387 7.903 1.00 0.00 O ATOM 0 H GLY A 26 103.980 13.489 8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 26 102.332 13.890 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 26 103.343 13.332 5.656 1.00 0.00 H new ATOM 492 N PHE A 27 102.476 11.001 5.761 1.00 0.00 N ATOM 493 CA PHE A 27 101.888 9.688 5.823 1.00 0.00 C ATOM 494 C PHE A 27 102.975 8.672 6.001 1.00 0.00 C ATOM 495 O PHE A 27 104.028 8.768 5.382 1.00 0.00 O ATOM 496 CB PHE A 27 101.063 9.367 4.578 1.00 0.00 C ATOM 497 CG PHE A 27 100.104 10.444 4.211 1.00 0.00 C ATOM 498 CD1 PHE A 27 98.969 10.641 4.953 1.00 0.00 C ATOM 499 CD2 PHE A 27 100.354 11.279 3.141 1.00 0.00 C ATOM 500 CE1 PHE A 27 98.102 11.637 4.644 1.00 0.00 C ATOM 501 CE2 PHE A 27 99.479 12.288 2.828 1.00 0.00 C ATOM 502 CZ PHE A 27 98.348 12.467 3.585 1.00 0.00 C ATOM 0 H PHE A 27 102.874 11.257 4.857 1.00 0.00 H new ATOM 0 HA PHE A 27 101.206 9.661 6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 27 101.737 9.190 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 27 100.512 8.441 4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 27 98.762 9.995 5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 27 101.244 11.137 2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 27 97.211 11.776 5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 27 99.679 12.939 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 27 97.655 13.260 3.345 1.00 0.00 H new ATOM 512 N GLY A 28 102.724 7.706 6.844 1.00 0.00 N ATOM 513 CA GLY A 28 103.727 6.715 7.132 1.00 0.00 C ATOM 514 C GLY A 28 103.671 5.536 6.197 1.00 0.00 C ATOM 515 O GLY A 28 104.453 4.626 6.324 1.00 0.00 O ATOM 0 H GLY A 28 101.841 7.584 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 28 104.713 7.175 7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 28 103.602 6.366 8.157 1.00 0.00 H new ATOM 519 N PHE A 29 102.752 5.551 5.271 1.00 0.00 N ATOM 520 CA PHE A 29 102.608 4.452 4.348 1.00 0.00 C ATOM 521 C PHE A 29 103.106 4.819 2.993 1.00 0.00 C ATOM 522 O PHE A 29 103.286 5.995 2.671 1.00 0.00 O ATOM 523 CB PHE A 29 101.177 3.953 4.217 1.00 0.00 C ATOM 524 CG PHE A 29 100.196 4.931 3.627 1.00 0.00 C ATOM 525 CD1 PHE A 29 99.729 6.025 4.332 1.00 0.00 C ATOM 526 CD2 PHE A 29 99.739 4.733 2.352 1.00 0.00 C ATOM 527 CE1 PHE A 29 98.820 6.891 3.754 1.00 0.00 C ATOM 528 CE2 PHE A 29 98.845 5.585 1.774 1.00 0.00 C ATOM 529 CZ PHE A 29 98.380 6.663 2.466 1.00 0.00 C ATOM 0 H PHE A 29 102.088 6.313 5.133 1.00 0.00 H new ATOM 0 HA PHE A 29 103.208 3.646 4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 29 101.180 3.054 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 29 100.821 3.661 5.205 1.00 0.00 H new ATOM 0 HD1 PHE A 29 100.076 6.204 5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 29 100.095 3.882 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 29 98.455 7.743 4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 29 98.504 5.405 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 29 97.670 7.336 2.008 1.00 0.00 H new ATOM 539 N THR A 30 103.322 3.820 2.225 1.00 0.00 N ATOM 540 CA THR A 30 103.753 3.927 0.885 1.00 0.00 C ATOM 541 C THR A 30 102.784 3.160 0.071 1.00 0.00 C ATOM 542 O THR A 30 102.228 2.157 0.544 1.00 0.00 O ATOM 543 CB THR A 30 105.157 3.318 0.706 1.00 0.00 C ATOM 544 OG1 THR A 30 105.140 1.937 1.093 1.00 0.00 O ATOM 545 CG2 THR A 30 106.169 4.021 1.563 1.00 0.00 C ATOM 0 H THR A 30 103.196 2.855 2.530 1.00 0.00 H new ATOM 0 HA THR A 30 103.805 4.974 0.586 1.00 0.00 H new ATOM 0 HB THR A 30 105.430 3.427 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 30 105.073 1.871 2.068 1.00 0.00 H new ATOM 0 HG21 THR A 30 107.149 3.568 1.414 1.00 0.00 H new ATOM 0 HG22 THR A 30 106.210 5.075 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 30 105.883 3.931 2.611 1.00 0.00 H new ATOM 553 N VAL A 31 102.538 3.603 -1.098 1.00 0.00 N ATOM 554 CA VAL A 31 101.633 2.917 -1.935 1.00 0.00 C ATOM 555 C VAL A 31 102.254 2.529 -3.219 1.00 0.00 C ATOM 556 O VAL A 31 103.179 3.190 -3.716 1.00 0.00 O ATOM 557 CB VAL A 31 100.325 3.673 -2.213 1.00 0.00 C ATOM 558 CG1 VAL A 31 99.439 3.713 -1.005 1.00 0.00 C ATOM 559 CG2 VAL A 31 100.575 5.071 -2.763 1.00 0.00 C ATOM 0 H VAL A 31 102.952 4.443 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 31 101.371 2.025 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 31 99.800 3.113 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 31 98.524 4.256 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 31 99.189 2.696 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 31 99.958 4.216 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 31 99.621 5.567 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 31 101.153 5.648 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 31 101.130 5.000 -3.698 1.00 0.00 H new ATOM 569 N VAL A 32 101.795 1.447 -3.721 1.00 0.00 N ATOM 570 CA VAL A 32 102.158 0.992 -4.978 1.00 0.00 C ATOM 571 C VAL A 32 100.926 0.445 -5.625 1.00 0.00 C ATOM 572 O VAL A 32 99.974 0.056 -4.945 1.00 0.00 O ATOM 573 CB VAL A 32 103.292 -0.050 -4.913 1.00 0.00 C ATOM 574 CG1 VAL A 32 102.895 -1.279 -4.117 1.00 0.00 C ATOM 575 CG2 VAL A 32 103.762 -0.439 -6.277 1.00 0.00 C ATOM 0 H VAL A 32 101.132 0.841 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 32 102.561 1.812 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 32 104.121 0.429 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 32 103.726 -1.985 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 32 102.645 -0.987 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 32 102.029 -1.750 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 32 104.561 -1.175 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 32 102.933 -0.869 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 32 104.135 0.442 -6.798 1.00 0.00 H new ATOM 585 N GLY A 33 100.936 0.454 -6.881 1.00 0.00 N ATOM 586 CA GLY A 33 99.845 0.037 -7.627 1.00 0.00 C ATOM 587 C GLY A 33 99.363 1.200 -8.400 1.00 0.00 C ATOM 588 O GLY A 33 100.189 1.950 -8.919 1.00 0.00 O ATOM 0 H GLY A 33 101.732 0.763 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 33 100.126 -0.777 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 33 99.058 -0.343 -6.975 1.00 0.00 H new ATOM 592 N GLY A 34 98.045 1.372 -8.476 1.00 0.00 N ATOM 593 CA GLY A 34 97.421 2.507 -9.128 1.00 0.00 C ATOM 594 C GLY A 34 97.940 2.723 -10.486 1.00 0.00 C ATOM 595 O GLY A 34 97.967 3.851 -10.970 1.00 0.00 O ATOM 0 H GLY A 34 97.376 0.713 -8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 34 96.343 2.350 -9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 34 97.587 3.403 -8.531 1.00 0.00 H new ATOM 599 N ASP A 35 98.302 1.643 -11.131 1.00 0.00 N ATOM 600 CA ASP A 35 98.955 1.717 -12.394 1.00 0.00 C ATOM 601 C ASP A 35 98.014 2.306 -13.328 1.00 0.00 C ATOM 602 O ASP A 35 98.376 3.161 -14.153 1.00 0.00 O ATOM 603 CB ASP A 35 99.309 0.346 -12.874 1.00 0.00 C ATOM 604 CG ASP A 35 100.281 0.345 -14.035 1.00 0.00 C ATOM 605 OD1 ASP A 35 99.876 0.615 -15.196 1.00 0.00 O ATOM 606 OD2 ASP A 35 101.465 0.039 -13.808 1.00 0.00 O ATOM 0 H ASP A 35 98.149 0.695 -10.789 1.00 0.00 H new ATOM 0 HA ASP A 35 99.868 2.307 -12.312 1.00 0.00 H new ATOM 0 HB2 ASP A 35 99.741 -0.219 -12.048 1.00 0.00 H new ATOM 0 HB3 ASP A 35 98.398 -0.172 -13.173 1.00 0.00 H new ATOM 611 N GLU A 36 96.762 1.957 -13.128 1.00 0.00 N ATOM 612 CA GLU A 36 95.781 2.410 -14.039 1.00 0.00 C ATOM 613 C GLU A 36 94.477 2.420 -13.379 1.00 0.00 C ATOM 614 O GLU A 36 94.364 1.898 -12.273 1.00 0.00 O ATOM 615 CB GLU A 36 95.797 1.532 -15.306 1.00 0.00 C ATOM 616 CG GLU A 36 95.809 0.054 -15.041 1.00 0.00 C ATOM 617 CD GLU A 36 95.602 -0.761 -16.296 1.00 0.00 C ATOM 618 OE1 GLU A 36 94.599 -0.544 -17.001 1.00 0.00 O ATOM 619 OE2 GLU A 36 96.433 -1.641 -16.615 1.00 0.00 O ATOM 0 H GLU A 36 96.423 1.377 -12.360 1.00 0.00 H new ATOM 0 HA GLU A 36 95.998 3.430 -14.356 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.922 1.773 -15.910 1.00 0.00 H new ATOM 0 HB3 GLU A 36 96.675 1.789 -15.899 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.760 -0.222 -14.585 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.028 -0.189 -14.321 1.00 0.00 H new ATOM 626 N PRO A 37 93.474 3.092 -13.971 1.00 0.00 N ATOM 627 CA PRO A 37 92.083 3.009 -13.512 1.00 0.00 C ATOM 628 C PRO A 37 91.549 1.599 -13.766 1.00 0.00 C ATOM 629 O PRO A 37 90.533 1.398 -14.453 1.00 0.00 O ATOM 630 CB PRO A 37 91.359 4.038 -14.384 1.00 0.00 C ATOM 631 CG PRO A 37 92.225 4.225 -15.571 1.00 0.00 C ATOM 632 CD PRO A 37 93.620 4.056 -15.085 1.00 0.00 C ATOM 0 HA PRO A 37 91.955 3.205 -12.447 1.00 0.00 H new ATOM 0 HB2 PRO A 37 90.369 3.683 -14.671 1.00 0.00 H new ATOM 0 HB3 PRO A 37 91.218 4.977 -13.849 1.00 0.00 H new ATOM 0 HG2 PRO A 37 91.990 3.495 -16.346 1.00 0.00 H new ATOM 0 HG3 PRO A 37 92.080 5.213 -16.009 1.00 0.00 H new ATOM 0 HD2 PRO A 37 94.275 3.672 -15.867 1.00 0.00 H new ATOM 0 HD3 PRO A 37 94.046 5.001 -14.747 1.00 0.00 H new ATOM 640 N ASP A 38 92.245 0.653 -13.156 1.00 0.00 N ATOM 641 CA ASP A 38 92.098 -0.794 -13.385 1.00 0.00 C ATOM 642 C ASP A 38 93.179 -1.580 -12.593 1.00 0.00 C ATOM 643 O ASP A 38 93.122 -2.795 -12.466 1.00 0.00 O ATOM 644 CB ASP A 38 92.145 -1.153 -14.875 1.00 0.00 C ATOM 645 CG ASP A 38 91.858 -2.612 -15.140 1.00 0.00 C ATOM 646 OD1 ASP A 38 90.725 -3.067 -14.874 1.00 0.00 O ATOM 647 OD2 ASP A 38 92.747 -3.326 -15.644 1.00 0.00 O ATOM 0 H ASP A 38 92.958 0.870 -12.459 1.00 0.00 H new ATOM 0 HA ASP A 38 91.113 -1.083 -13.020 1.00 0.00 H new ATOM 0 HB2 ASP A 38 91.420 -0.542 -15.413 1.00 0.00 H new ATOM 0 HB3 ASP A 38 93.129 -0.904 -15.272 1.00 0.00 H new ATOM 652 N GLU A 39 94.141 -0.864 -12.028 1.00 0.00 N ATOM 653 CA GLU A 39 95.063 -1.433 -11.095 1.00 0.00 C ATOM 654 C GLU A 39 95.065 -0.555 -9.897 1.00 0.00 C ATOM 655 O GLU A 39 95.379 0.673 -10.068 1.00 0.00 O ATOM 656 CB GLU A 39 96.456 -1.563 -11.638 1.00 0.00 C ATOM 657 CG GLU A 39 96.574 -2.532 -12.772 1.00 0.00 C ATOM 658 CD GLU A 39 97.991 -2.918 -13.011 1.00 0.00 C ATOM 659 OE1 GLU A 39 98.544 -3.671 -12.204 1.00 0.00 O ATOM 660 OE2 GLU A 39 98.570 -2.508 -13.995 1.00 0.00 O ATOM 0 H GLU A 39 94.292 0.128 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 39 94.743 -2.448 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 39 96.799 -0.584 -11.972 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.122 -1.876 -10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 39 95.984 -3.423 -12.554 1.00 0.00 H new ATOM 0 HG3 GLU A 39 96.159 -2.088 -13.677 1.00 0.00 H new ATOM 667 N PHE A 40 94.838 -1.247 -8.705 1.00 0.00 N ATOM 668 CA PHE A 40 94.514 -0.754 -7.301 1.00 0.00 C ATOM 669 C PHE A 40 95.703 -0.215 -6.562 1.00 0.00 C ATOM 670 O PHE A 40 96.832 -0.545 -6.917 1.00 0.00 O ATOM 671 CB PHE A 40 94.084 -1.968 -6.426 1.00 0.00 C ATOM 672 CG PHE A 40 92.704 -2.490 -6.617 1.00 0.00 C ATOM 673 CD1 PHE A 40 91.725 -1.661 -6.999 1.00 0.00 C ATOM 674 CD2 PHE A 40 92.389 -3.807 -6.351 1.00 0.00 C ATOM 675 CE1 PHE A 40 90.448 -2.067 -7.135 1.00 0.00 C ATOM 676 CE2 PHE A 40 91.091 -4.248 -6.491 1.00 0.00 C ATOM 677 CZ PHE A 40 90.101 -3.357 -6.886 1.00 0.00 C ATOM 0 H PHE A 40 94.883 -2.266 -8.710 1.00 0.00 H new ATOM 0 HA PHE A 40 93.757 0.018 -7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 40 94.782 -2.784 -6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 40 94.197 -1.686 -5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 40 91.968 -0.629 -7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 40 93.160 -4.493 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 40 89.692 -1.360 -7.445 1.00 0.00 H new ATOM 0 HE2 PHE A 40 90.845 -5.281 -6.295 1.00 0.00 H new ATOM 0 HZ PHE A 40 89.077 -3.683 -6.993 1.00 0.00 H new ATOM 687 N LEU A 41 95.476 0.632 -5.517 1.00 0.00 N ATOM 688 CA LEU A 41 96.612 1.026 -4.714 1.00 0.00 C ATOM 689 C LEU A 41 96.695 0.076 -3.609 1.00 0.00 C ATOM 690 O LEU A 41 95.691 -0.366 -3.156 1.00 0.00 O ATOM 691 CB LEU A 41 96.451 2.382 -4.091 1.00 0.00 C ATOM 692 CG LEU A 41 97.136 3.541 -4.752 1.00 0.00 C ATOM 693 CD1 LEU A 41 96.500 3.844 -6.098 1.00 0.00 C ATOM 694 CD2 LEU A 41 97.066 4.723 -3.823 1.00 0.00 C ATOM 0 H LEU A 41 94.573 1.019 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 41 97.489 1.047 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 41 95.385 2.605 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 41 96.809 2.323 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 41 98.181 3.301 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 41 97.012 4.688 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 41 96.583 2.970 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 41 95.448 4.091 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 41 97.559 5.578 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 41 96.023 4.969 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 41 97.565 4.479 -2.885 1.00 0.00 H new ATOM 706 N GLN A 42 97.847 -0.281 -3.211 1.00 0.00 N ATOM 707 CA GLN A 42 97.998 -1.066 -2.031 1.00 0.00 C ATOM 708 C GLN A 42 99.123 -0.497 -1.271 1.00 0.00 C ATOM 709 O GLN A 42 100.024 0.137 -1.847 1.00 0.00 O ATOM 710 CB GLN A 42 98.282 -2.539 -2.295 1.00 0.00 C ATOM 711 CG GLN A 42 97.315 -3.227 -3.254 1.00 0.00 C ATOM 712 CD GLN A 42 97.496 -4.723 -3.305 1.00 0.00 C ATOM 713 OE1 GLN A 42 97.322 -5.343 -4.356 1.00 0.00 O ATOM 714 NE2 GLN A 42 97.724 -5.332 -2.171 1.00 0.00 N ATOM 0 H GLN A 42 98.719 -0.045 -3.684 1.00 0.00 H new ATOM 0 HA GLN A 42 97.053 -1.033 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 42 99.292 -2.632 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 42 98.265 -3.072 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 42 96.292 -3.001 -2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 42 97.451 -2.816 -4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 42 97.864 -4.788 -1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 42 97.762 -6.351 -2.138 1.00 0.00 H new ATOM 723 N ILE A 43 99.067 -0.688 -0.002 1.00 0.00 N ATOM 724 CA ILE A 43 100.081 -0.245 0.884 1.00 0.00 C ATOM 725 C ILE A 43 101.227 -1.133 0.635 1.00 0.00 C ATOM 726 O ILE A 43 101.160 -2.331 0.943 1.00 0.00 O ATOM 727 CB ILE A 43 99.691 -0.389 2.398 1.00 0.00 C ATOM 728 CG1 ILE A 43 98.308 0.185 2.684 1.00 0.00 C ATOM 729 CG2 ILE A 43 100.724 0.288 3.286 1.00 0.00 C ATOM 730 CD1 ILE A 43 98.141 1.641 2.315 1.00 0.00 C ATOM 0 H ILE A 43 98.295 -1.169 0.460 1.00 0.00 H new ATOM 0 HA ILE A 43 100.275 0.813 0.706 1.00 0.00 H new ATOM 0 HB ILE A 43 99.667 -1.455 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 43 97.567 -0.401 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 43 98.092 0.066 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 43 100.435 0.176 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 43 101.698 -0.174 3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 43 100.780 1.348 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 43 97.127 1.963 2.553 1.00 0.00 H new ATOM 0 HD12 ILE A 43 98.855 2.243 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 43 98.321 1.769 1.248 1.00 0.00 H new ATOM 742 N LYS A 44 102.242 -0.573 0.022 1.00 0.00 N ATOM 743 CA LYS A 44 103.454 -1.275 -0.242 1.00 0.00 C ATOM 744 C LYS A 44 103.996 -1.676 1.093 1.00 0.00 C ATOM 745 O LYS A 44 104.506 -2.781 1.246 1.00 0.00 O ATOM 746 CB LYS A 44 104.452 -0.368 -0.974 1.00 0.00 C ATOM 747 CG LYS A 44 105.736 -1.068 -1.421 1.00 0.00 C ATOM 748 CD LYS A 44 106.729 -0.102 -2.068 1.00 0.00 C ATOM 749 CE LYS A 44 107.225 0.939 -1.072 1.00 0.00 C ATOM 750 NZ LYS A 44 108.256 1.827 -1.641 1.00 0.00 N ATOM 0 H LYS A 44 102.240 0.393 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 44 103.281 -2.141 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 44 103.962 0.058 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 44 104.715 0.463 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 44 106.205 -1.545 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 44 105.488 -1.859 -2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 44 107.577 -0.661 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 44 106.254 0.398 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 44 106.382 1.540 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 44 107.631 0.433 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 108.557 2.515 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 109.074 1.260 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 107.864 2.333 -2.461 1.00 0.00 H new ATOM 764 N SER A 45 103.800 -0.741 2.078 1.00 0.00 N ATOM 765 CA SER A 45 104.152 -0.910 3.466 1.00 0.00 C ATOM 766 C SER A 45 104.224 0.430 4.131 1.00 0.00 C ATOM 767 O SER A 45 104.068 1.463 3.479 1.00 0.00 O ATOM 768 CB SER A 45 105.415 -1.702 3.646 1.00 0.00 C ATOM 769 OG SER A 45 105.829 -1.818 4.995 1.00 0.00 O ATOM 0 H SER A 45 103.377 0.167 1.887 1.00 0.00 H new ATOM 0 HA SER A 45 103.371 -1.497 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 45 105.269 -2.700 3.233 1.00 0.00 H new ATOM 0 HB3 SER A 45 106.212 -1.233 3.070 1.00 0.00 H new ATOM 0 HG SER A 45 106.803 -1.920 5.031 1.00 0.00 H new ATOM 775 N LEU A 46 104.399 0.410 5.394 1.00 0.00 N ATOM 776 CA LEU A 46 104.391 1.559 6.190 1.00 0.00 C ATOM 777 C LEU A 46 105.523 1.549 7.148 1.00 0.00 C ATOM 778 O LEU A 46 106.054 0.494 7.511 1.00 0.00 O ATOM 779 CB LEU A 46 103.054 1.656 6.911 1.00 0.00 C ATOM 780 CG LEU A 46 102.552 0.392 7.592 1.00 0.00 C ATOM 781 CD1 LEU A 46 103.066 0.256 9.017 1.00 0.00 C ATOM 782 CD2 LEU A 46 101.067 0.364 7.529 1.00 0.00 C ATOM 0 H LEU A 46 104.559 -0.449 5.920 1.00 0.00 H new ATOM 0 HA LEU A 46 104.517 2.438 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 46 103.129 2.441 7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 46 102.301 1.976 6.191 1.00 0.00 H new ATOM 0 HG LEU A 46 102.948 -0.472 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 46 102.678 -0.663 9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 46 104.155 0.223 9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 46 102.733 1.110 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 46 100.699 -0.540 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 46 100.665 1.240 8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 46 100.747 0.371 6.487 1.00 0.00 H new ATOM 794 N VAL A 47 105.927 2.723 7.493 1.00 0.00 N ATOM 795 CA VAL A 47 106.878 2.946 8.515 1.00 0.00 C ATOM 796 C VAL A 47 106.156 2.581 9.783 1.00 0.00 C ATOM 797 O VAL A 47 105.162 3.232 10.124 1.00 0.00 O ATOM 798 CB VAL A 47 107.259 4.457 8.564 1.00 0.00 C ATOM 799 CG1 VAL A 47 108.325 4.730 9.589 1.00 0.00 C ATOM 800 CG2 VAL A 47 107.674 4.976 7.194 1.00 0.00 C ATOM 0 H VAL A 47 105.590 3.580 7.054 1.00 0.00 H new ATOM 0 HA VAL A 47 107.793 2.373 8.362 1.00 0.00 H new ATOM 0 HB VAL A 47 106.364 5.000 8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 47 108.563 5.794 9.592 1.00 0.00 H new ATOM 0 HG12 VAL A 47 107.966 4.435 10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 47 109.220 4.159 9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 47 107.932 6.032 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 47 108.539 4.415 6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 47 106.849 4.853 6.493 1.00 0.00 H new ATOM 810 N LEU A 48 106.580 1.522 10.456 1.00 0.00 N ATOM 811 CA LEU A 48 105.903 1.093 11.644 1.00 0.00 C ATOM 812 C LEU A 48 106.076 2.051 12.806 1.00 0.00 C ATOM 813 O LEU A 48 105.486 1.906 13.864 1.00 0.00 O ATOM 814 CB LEU A 48 106.191 -0.299 12.029 1.00 0.00 C ATOM 815 CG LEU A 48 107.426 -0.494 12.738 1.00 0.00 C ATOM 816 CD1 LEU A 48 107.214 -1.644 13.658 1.00 0.00 C ATOM 817 CD2 LEU A 48 108.543 -0.746 11.785 1.00 0.00 C ATOM 0 H LEU A 48 107.386 0.955 10.192 1.00 0.00 H new ATOM 0 HA LEU A 48 104.847 1.112 11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 48 105.373 -0.664 12.649 1.00 0.00 H new ATOM 0 HB3 LEU A 48 106.207 -0.913 11.128 1.00 0.00 H new ATOM 0 HG LEU A 48 107.704 0.395 13.305 1.00 0.00 H new ATOM 0 HD11 LEU A 48 108.128 -1.832 14.221 1.00 0.00 H new ATOM 0 HD12 LEU A 48 106.403 -1.413 14.349 1.00 0.00 H new ATOM 0 HD13 LEU A 48 106.956 -2.530 13.079 1.00 0.00 H new ATOM 0 HD21 LEU A 48 109.470 -0.891 12.341 1.00 0.00 H new ATOM 0 HD22 LEU A 48 108.327 -1.640 11.200 1.00 0.00 H new ATOM 0 HD23 LEU A 48 108.651 0.108 11.117 1.00 0.00 H new ATOM 829 N ASP A 49 106.901 3.006 12.595 1.00 0.00 N ATOM 830 CA ASP A 49 107.089 4.104 13.510 1.00 0.00 C ATOM 831 C ASP A 49 106.231 5.285 13.119 1.00 0.00 C ATOM 832 O ASP A 49 106.211 6.309 13.817 1.00 0.00 O ATOM 833 CB ASP A 49 108.505 4.574 13.474 1.00 0.00 C ATOM 834 CG ASP A 49 109.465 3.737 14.281 1.00 0.00 C ATOM 835 OD1 ASP A 49 110.031 2.754 13.756 1.00 0.00 O ATOM 836 OD2 ASP A 49 109.683 4.060 15.468 1.00 0.00 O ATOM 0 H ASP A 49 107.488 3.062 11.763 1.00 0.00 H new ATOM 0 HA ASP A 49 106.818 3.742 14.502 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.842 4.592 12.438 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.543 5.600 13.839 1.00 0.00 H new ATOM 841 N GLY A 50 105.547 5.159 12.017 1.00 0.00 N ATOM 842 CA GLY A 50 104.775 6.232 11.491 1.00 0.00 C ATOM 843 C GLY A 50 103.319 6.131 11.858 1.00 0.00 C ATOM 844 O GLY A 50 102.874 5.102 12.386 1.00 0.00 O ATOM 0 H GLY A 50 105.514 4.304 11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 50 105.174 7.177 11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 50 104.872 6.247 10.405 1.00 0.00 H new ATOM 848 N PRO A 51 102.530 7.150 11.500 1.00 0.00 N ATOM 849 CA PRO A 51 101.115 7.274 11.894 1.00 0.00 C ATOM 850 C PRO A 51 100.262 6.090 11.464 1.00 0.00 C ATOM 851 O PRO A 51 99.312 5.736 12.128 1.00 0.00 O ATOM 852 CB PRO A 51 100.652 8.558 11.203 1.00 0.00 C ATOM 853 CG PRO A 51 101.674 8.824 10.152 1.00 0.00 C ATOM 854 CD PRO A 51 102.960 8.276 10.666 1.00 0.00 C ATOM 0 HA PRO A 51 101.010 7.299 12.979 1.00 0.00 H new ATOM 0 HB2 PRO A 51 99.661 8.435 10.767 1.00 0.00 H new ATOM 0 HB3 PRO A 51 100.589 9.385 11.910 1.00 0.00 H new ATOM 0 HG2 PRO A 51 101.397 8.347 9.212 1.00 0.00 H new ATOM 0 HG3 PRO A 51 101.759 9.893 9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 51 103.613 7.952 9.856 1.00 0.00 H new ATOM 0 HD3 PRO A 51 103.513 9.018 11.243 1.00 0.00 H new ATOM 862 N ALA A 52 100.650 5.462 10.375 1.00 0.00 N ATOM 863 CA ALA A 52 99.939 4.295 9.841 1.00 0.00 C ATOM 864 C ALA A 52 99.879 3.139 10.862 1.00 0.00 C ATOM 865 O ALA A 52 98.797 2.518 11.090 1.00 0.00 O ATOM 866 CB ALA A 52 100.596 3.845 8.550 1.00 0.00 C ATOM 0 H ALA A 52 101.465 5.737 9.827 1.00 0.00 H new ATOM 0 HA ALA A 52 98.909 4.588 9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 52 100.066 2.978 8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 52 100.560 4.655 7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 52 101.635 3.578 8.744 1.00 0.00 H new ATOM 872 N ALA A 53 101.041 2.866 11.456 1.00 0.00 N ATOM 873 CA ALA A 53 101.207 1.849 12.490 1.00 0.00 C ATOM 874 C ALA A 53 100.685 2.344 13.833 1.00 0.00 C ATOM 875 O ALA A 53 100.106 1.586 14.606 1.00 0.00 O ATOM 876 CB ALA A 53 102.679 1.472 12.612 1.00 0.00 C ATOM 0 H ALA A 53 101.907 3.355 11.227 1.00 0.00 H new ATOM 0 HA ALA A 53 100.629 0.971 12.203 1.00 0.00 H new ATOM 0 HB1 ALA A 53 102.797 0.713 13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 53 103.034 1.078 11.660 1.00 0.00 H new ATOM 0 HB3 ALA A 53 103.260 2.355 12.879 1.00 0.00 H new ATOM 882 N LEU A 54 100.868 3.621 14.085 1.00 0.00 N ATOM 883 CA LEU A 54 100.493 4.234 15.347 1.00 0.00 C ATOM 884 C LEU A 54 99.018 4.359 15.516 1.00 0.00 C ATOM 885 O LEU A 54 98.500 4.285 16.629 1.00 0.00 O ATOM 886 CB LEU A 54 101.107 5.585 15.463 1.00 0.00 C ATOM 887 CG LEU A 54 102.468 5.657 16.141 1.00 0.00 C ATOM 888 CD1 LEU A 54 103.490 4.817 15.411 1.00 0.00 C ATOM 889 CD2 LEU A 54 102.923 7.094 16.253 1.00 0.00 C ATOM 0 H LEU A 54 101.284 4.271 13.418 1.00 0.00 H new ATOM 0 HA LEU A 54 100.863 3.574 16.132 1.00 0.00 H new ATOM 0 HB2 LEU A 54 101.203 6.003 14.461 1.00 0.00 H new ATOM 0 HB3 LEU A 54 100.418 6.227 16.012 1.00 0.00 H new ATOM 0 HG LEU A 54 102.370 5.248 17.147 1.00 0.00 H new ATOM 0 HD11 LEU A 54 104.451 4.890 15.920 1.00 0.00 H new ATOM 0 HD12 LEU A 54 103.164 3.777 15.398 1.00 0.00 H new ATOM 0 HD13 LEU A 54 103.593 5.178 14.388 1.00 0.00 H new ATOM 0 HD21 LEU A 54 103.898 7.130 16.740 1.00 0.00 H new ATOM 0 HD22 LEU A 54 102.998 7.530 15.257 1.00 0.00 H new ATOM 0 HD23 LEU A 54 102.202 7.659 16.843 1.00 0.00 H new ATOM 901 N ASP A 55 98.336 4.600 14.431 1.00 0.00 N ATOM 902 CA ASP A 55 96.875 4.692 14.468 1.00 0.00 C ATOM 903 C ASP A 55 96.332 3.291 14.620 1.00 0.00 C ATOM 904 O ASP A 55 95.219 3.057 15.074 1.00 0.00 O ATOM 905 CB ASP A 55 96.329 5.322 13.187 1.00 0.00 C ATOM 906 CG ASP A 55 95.065 6.139 13.418 1.00 0.00 C ATOM 907 OD1 ASP A 55 93.972 5.575 13.530 1.00 0.00 O ATOM 908 OD2 ASP A 55 95.169 7.392 13.517 1.00 0.00 O ATOM 0 H ASP A 55 98.750 4.738 13.509 1.00 0.00 H new ATOM 0 HA ASP A 55 96.568 5.324 15.301 1.00 0.00 H new ATOM 0 HB2 ASP A 55 97.094 5.963 12.749 1.00 0.00 H new ATOM 0 HB3 ASP A 55 96.119 4.535 12.462 1.00 0.00 H new ATOM 913 N GLY A 56 97.210 2.358 14.261 1.00 0.00 N ATOM 914 CA GLY A 56 96.963 0.940 14.377 1.00 0.00 C ATOM 915 C GLY A 56 95.832 0.476 13.524 1.00 0.00 C ATOM 916 O GLY A 56 95.102 -0.445 13.878 1.00 0.00 O ATOM 0 H GLY A 56 98.128 2.580 13.875 1.00 0.00 H new ATOM 0 HA2 GLY A 56 97.866 0.395 14.102 1.00 0.00 H new ATOM 0 HA3 GLY A 56 96.749 0.698 15.418 1.00 0.00 H new ATOM 920 N LYS A 57 95.661 1.120 12.416 1.00 0.00 N ATOM 921 CA LYS A 57 94.599 0.852 11.553 1.00 0.00 C ATOM 922 C LYS A 57 95.054 0.426 10.176 1.00 0.00 C ATOM 923 O LYS A 57 94.367 -0.357 9.509 1.00 0.00 O ATOM 924 CB LYS A 57 93.792 2.099 11.475 1.00 0.00 C ATOM 925 CG LYS A 57 92.854 2.377 12.661 1.00 0.00 C ATOM 926 CD LYS A 57 91.515 1.601 12.610 1.00 0.00 C ATOM 927 CE LYS A 57 91.635 0.078 12.793 1.00 0.00 C ATOM 928 NZ LYS A 57 92.288 -0.305 14.066 1.00 0.00 N ATOM 0 H LYS A 57 96.281 1.863 12.094 1.00 0.00 H new ATOM 0 HA LYS A 57 94.017 0.015 11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 57 94.475 2.943 11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 57 93.192 2.062 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 57 93.372 2.124 13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 57 92.640 3.445 12.697 1.00 0.00 H new ATOM 0 HD2 LYS A 57 90.856 1.993 13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 57 91.034 1.799 11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 57 90.640 -0.366 12.754 1.00 0.00 H new ATOM 0 HE3 LYS A 57 92.203 -0.338 11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 91.993 -1.266 14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 93.321 -0.280 13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 92.009 0.362 14.814 1.00 0.00 H new ATOM 942 N MET A 58 96.200 0.898 9.749 1.00 0.00 N ATOM 943 CA MET A 58 96.634 0.631 8.423 1.00 0.00 C ATOM 944 C MET A 58 97.665 -0.481 8.441 1.00 0.00 C ATOM 945 O MET A 58 98.498 -0.530 9.351 1.00 0.00 O ATOM 946 CB MET A 58 97.177 1.924 7.845 1.00 0.00 C ATOM 947 CG MET A 58 97.652 1.831 6.432 1.00 0.00 C ATOM 948 SD MET A 58 98.075 3.444 5.753 1.00 0.00 S ATOM 949 CE MET A 58 96.471 4.272 5.723 1.00 0.00 C ATOM 0 H MET A 58 96.838 1.465 10.307 1.00 0.00 H new ATOM 0 HA MET A 58 95.815 0.287 7.792 1.00 0.00 H new ATOM 0 HB2 MET A 58 96.399 2.685 7.902 1.00 0.00 H new ATOM 0 HB3 MET A 58 98.003 2.265 8.469 1.00 0.00 H new ATOM 0 HG2 MET A 58 98.524 1.178 6.385 1.00 0.00 H new ATOM 0 HG3 MET A 58 96.877 1.372 5.819 1.00 0.00 H new ATOM 0 HE1 MET A 58 96.615 5.338 5.548 1.00 0.00 H new ATOM 0 HE2 MET A 58 95.860 3.852 4.924 1.00 0.00 H new ATOM 0 HE3 MET A 58 95.968 4.126 6.679 1.00 0.00 H new ATOM 959 N GLU A 59 97.596 -1.384 7.477 1.00 0.00 N ATOM 960 CA GLU A 59 98.488 -2.513 7.431 1.00 0.00 C ATOM 961 C GLU A 59 99.065 -2.650 6.021 1.00 0.00 C ATOM 962 O GLU A 59 98.505 -2.159 5.036 1.00 0.00 O ATOM 963 CB GLU A 59 97.712 -3.782 7.818 1.00 0.00 C ATOM 964 CG GLU A 59 98.550 -5.044 7.979 1.00 0.00 C ATOM 965 CD GLU A 59 97.714 -6.277 8.223 1.00 0.00 C ATOM 966 OE1 GLU A 59 97.199 -6.469 9.357 1.00 0.00 O ATOM 967 OE2 GLU A 59 97.555 -7.091 7.289 1.00 0.00 O ATOM 0 H GLU A 59 96.922 -1.349 6.712 1.00 0.00 H new ATOM 0 HA GLU A 59 99.310 -2.369 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 59 97.188 -3.594 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 59 96.952 -3.967 7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.152 -5.191 7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 59 99.243 -4.911 8.810 1.00 0.00 H new ATOM 974 N THR A 60 100.191 -3.285 5.960 1.00 0.00 N ATOM 975 CA THR A 60 100.900 -3.579 4.752 1.00 0.00 C ATOM 976 C THR A 60 100.058 -4.534 3.876 1.00 0.00 C ATOM 977 O THR A 60 99.757 -5.661 4.292 1.00 0.00 O ATOM 978 CB THR A 60 102.186 -4.300 5.169 1.00 0.00 C ATOM 979 OG1 THR A 60 101.838 -5.455 5.961 1.00 0.00 O ATOM 980 CG2 THR A 60 103.054 -3.398 6.024 1.00 0.00 C ATOM 0 H THR A 60 100.667 -3.631 6.793 1.00 0.00 H new ATOM 0 HA THR A 60 101.107 -2.670 4.187 1.00 0.00 H new ATOM 0 HB THR A 60 102.730 -4.584 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 60 100.983 -5.819 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 60 103.962 -3.930 6.309 1.00 0.00 H new ATOM 0 HG22 THR A 60 103.319 -2.505 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 60 102.506 -3.109 6.921 1.00 0.00 H new ATOM 988 N GLY A 61 99.642 -4.086 2.720 1.00 0.00 N ATOM 989 CA GLY A 61 98.901 -4.931 1.831 1.00 0.00 C ATOM 990 C GLY A 61 97.517 -4.417 1.573 1.00 0.00 C ATOM 991 O GLY A 61 96.918 -4.777 0.564 1.00 0.00 O ATOM 0 H GLY A 61 99.806 -3.140 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 61 99.436 -5.016 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 61 98.840 -5.934 2.254 1.00 0.00 H new ATOM 995 N ASP A 62 97.015 -3.546 2.464 1.00 0.00 N ATOM 996 CA ASP A 62 95.670 -2.953 2.291 1.00 0.00 C ATOM 997 C ASP A 62 95.620 -2.194 0.957 1.00 0.00 C ATOM 998 O ASP A 62 96.536 -1.472 0.631 1.00 0.00 O ATOM 999 CB ASP A 62 95.368 -1.870 3.353 1.00 0.00 C ATOM 1000 CG ASP A 62 94.825 -2.315 4.673 1.00 0.00 C ATOM 1001 OD1 ASP A 62 93.597 -2.466 4.785 1.00 0.00 O ATOM 1002 OD2 ASP A 62 95.590 -2.485 5.646 1.00 0.00 O ATOM 0 H ASP A 62 97.509 -3.237 3.302 1.00 0.00 H new ATOM 0 HA ASP A 62 94.962 -3.779 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 62 96.290 -1.319 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 62 94.658 -1.166 2.920 1.00 0.00 H new ATOM 1007 N VAL A 63 94.583 -2.355 0.225 1.00 0.00 N ATOM 1008 CA VAL A 63 94.371 -1.630 -0.982 1.00 0.00 C ATOM 1009 C VAL A 63 93.670 -0.291 -0.715 1.00 0.00 C ATOM 1010 O VAL A 63 92.590 -0.256 -0.153 1.00 0.00 O ATOM 1011 CB VAL A 63 93.664 -2.490 -2.148 1.00 0.00 C ATOM 1012 CG1 VAL A 63 93.044 -3.776 -1.650 1.00 0.00 C ATOM 1013 CG2 VAL A 63 92.633 -1.688 -2.940 1.00 0.00 C ATOM 0 H VAL A 63 93.835 -3.011 0.449 1.00 0.00 H new ATOM 0 HA VAL A 63 95.361 -1.404 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 63 94.480 -2.752 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 63 92.586 -4.306 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 63 93.816 -4.402 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 63 92.283 -3.548 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 63 92.192 -2.322 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 63 91.850 -1.337 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 63 93.119 -0.833 -3.409 1.00 0.00 H new ATOM 1023 N ILE A 64 94.346 0.808 -1.041 1.00 0.00 N ATOM 1024 CA ILE A 64 93.726 2.113 -1.009 1.00 0.00 C ATOM 1025 C ILE A 64 92.703 2.156 -2.115 1.00 0.00 C ATOM 1026 O ILE A 64 93.022 1.843 -3.370 1.00 0.00 O ATOM 1027 CB ILE A 64 94.734 3.322 -1.138 1.00 0.00 C ATOM 1028 CG1 ILE A 64 95.355 3.692 0.212 1.00 0.00 C ATOM 1029 CG2 ILE A 64 94.081 4.566 -1.772 1.00 0.00 C ATOM 1030 CD1 ILE A 64 94.373 4.325 1.186 1.00 0.00 C ATOM 0 H ILE A 64 95.324 0.812 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 64 93.271 2.241 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 64 95.526 2.980 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 64 95.776 2.795 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 64 96.182 4.382 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 64 94.816 5.369 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 64 93.722 4.319 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 64 93.243 4.891 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 64 94.886 4.559 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 64 93.971 5.241 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 64 93.558 3.629 1.385 1.00 0.00 H new ATOM 1042 N VAL A 65 91.497 2.448 -1.636 1.00 0.00 N ATOM 1043 CA VAL A 65 90.282 2.513 -2.388 1.00 0.00 C ATOM 1044 C VAL A 65 89.700 3.930 -2.407 1.00 0.00 C ATOM 1045 O VAL A 65 89.196 4.380 -3.422 1.00 0.00 O ATOM 1046 CB VAL A 65 89.213 1.551 -1.792 1.00 0.00 C ATOM 1047 CG1 VAL A 65 87.956 1.547 -2.622 1.00 0.00 C ATOM 1048 CG2 VAL A 65 89.748 0.144 -1.623 1.00 0.00 C ATOM 0 H VAL A 65 91.351 2.656 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 65 90.529 2.216 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 65 88.965 1.929 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 65 87.230 0.865 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 65 87.537 2.553 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 65 88.190 1.220 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 65 88.969 -0.494 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 65 90.055 -0.247 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 65 90.605 0.159 -0.950 1.00 0.00 H new ATOM 1058 N SER A 66 89.731 4.627 -1.300 1.00 0.00 N ATOM 1059 CA SER A 66 89.117 5.952 -1.281 1.00 0.00 C ATOM 1060 C SER A 66 89.829 6.926 -0.364 1.00 0.00 C ATOM 1061 O SER A 66 90.591 6.521 0.517 1.00 0.00 O ATOM 1062 CB SER A 66 87.643 5.845 -0.912 1.00 0.00 C ATOM 1063 OG SER A 66 86.889 5.110 -1.873 1.00 0.00 O ATOM 0 H SER A 66 90.156 4.324 -0.424 1.00 0.00 H new ATOM 0 HA SER A 66 89.211 6.356 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 66 87.550 5.364 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 66 87.223 6.846 -0.815 1.00 0.00 H new ATOM 0 HG SER A 66 85.951 5.068 -1.591 1.00 0.00 H new ATOM 1069 N VAL A 67 89.562 8.201 -0.587 1.00 0.00 N ATOM 1070 CA VAL A 67 90.130 9.291 0.171 1.00 0.00 C ATOM 1071 C VAL A 67 89.037 10.289 0.449 1.00 0.00 C ATOM 1072 O VAL A 67 88.257 10.591 -0.452 1.00 0.00 O ATOM 1073 CB VAL A 67 91.298 9.997 -0.599 1.00 0.00 C ATOM 1074 CG1 VAL A 67 90.832 10.531 -1.951 1.00 0.00 C ATOM 1075 CG2 VAL A 67 91.864 11.135 0.228 1.00 0.00 C ATOM 0 H VAL A 67 88.926 8.510 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 67 90.546 8.892 1.096 1.00 0.00 H new ATOM 0 HB VAL A 67 92.075 9.252 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 67 91.667 11.015 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 67 90.465 9.706 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 67 90.031 11.255 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 67 92.674 11.615 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 67 91.079 11.864 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 67 92.246 10.744 1.171 1.00 0.00 H new ATOM 1085 N ASN A 68 88.955 10.767 1.688 1.00 0.00 N ATOM 1086 CA ASN A 68 87.954 11.755 2.105 1.00 0.00 C ATOM 1087 C ASN A 68 86.546 11.145 2.024 1.00 0.00 C ATOM 1088 O ASN A 68 86.008 10.684 3.032 1.00 0.00 O ATOM 1089 CB ASN A 68 88.074 13.061 1.274 1.00 0.00 C ATOM 1090 CG ASN A 68 89.360 13.843 1.508 1.00 0.00 C ATOM 1091 OD1 ASN A 68 89.852 13.854 2.727 1.00 0.00 O flip ATOM 1092 ND2 ASN A 68 89.883 14.472 0.590 1.00 0.00 N flip ATOM 0 H ASN A 68 89.584 10.480 2.438 1.00 0.00 H new ATOM 0 HA ASN A 68 88.141 12.028 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 68 88.003 12.811 0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 68 87.225 13.704 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 68 89.476 14.443 -0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 68 90.724 15.023 0.763 1.00 0.00 H new ATOM 1099 N ASP A 69 85.979 11.148 0.825 1.00 0.00 N ATOM 1100 CA ASP A 69 84.750 10.425 0.485 1.00 0.00 C ATOM 1101 C ASP A 69 84.653 10.349 -1.034 1.00 0.00 C ATOM 1102 O ASP A 69 83.601 10.411 -1.652 1.00 0.00 O ATOM 1103 CB ASP A 69 83.502 11.040 1.117 1.00 0.00 C ATOM 1104 CG ASP A 69 82.246 10.200 0.895 1.00 0.00 C ATOM 1105 OD1 ASP A 69 82.280 8.966 1.126 1.00 0.00 O ATOM 1106 OD2 ASP A 69 81.201 10.756 0.479 1.00 0.00 O ATOM 0 H ASP A 69 86.368 11.666 0.037 1.00 0.00 H new ATOM 0 HA ASP A 69 84.800 9.419 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 69 83.666 11.162 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 69 83.345 12.036 0.703 1.00 0.00 H new ATOM 1111 N THR A 70 85.786 10.253 -1.619 1.00 0.00 N ATOM 1112 CA THR A 70 85.924 10.118 -3.042 1.00 0.00 C ATOM 1113 C THR A 70 86.713 8.870 -3.309 1.00 0.00 C ATOM 1114 O THR A 70 87.764 8.646 -2.691 1.00 0.00 O ATOM 1115 CB THR A 70 86.636 11.354 -3.663 1.00 0.00 C ATOM 1116 OG1 THR A 70 85.859 12.534 -3.387 1.00 0.00 O ATOM 1117 CG2 THR A 70 86.811 11.209 -5.183 1.00 0.00 C ATOM 0 H THR A 70 86.675 10.265 -1.120 1.00 0.00 H new ATOM 0 HA THR A 70 84.938 10.055 -3.502 1.00 0.00 H new ATOM 0 HB THR A 70 87.627 11.432 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.304 13.317 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.312 12.093 -5.578 1.00 0.00 H new ATOM 0 HG22 THR A 70 87.412 10.325 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 70 85.833 11.106 -5.654 1.00 0.00 H new ATOM 1125 N CYS A 71 86.192 8.035 -4.164 1.00 0.00 N ATOM 1126 CA CYS A 71 86.853 6.832 -4.493 1.00 0.00 C ATOM 1127 C CYS A 71 88.064 7.168 -5.328 1.00 0.00 C ATOM 1128 O CYS A 71 87.959 7.810 -6.370 1.00 0.00 O ATOM 1129 CB CYS A 71 85.920 5.893 -5.228 1.00 0.00 C ATOM 1130 SG CYS A 71 86.577 4.234 -5.408 1.00 0.00 S ATOM 0 H CYS A 71 85.303 8.180 -4.642 1.00 0.00 H new ATOM 0 HA CYS A 71 87.171 6.319 -3.585 1.00 0.00 H new ATOM 0 HB2 CYS A 71 84.971 5.844 -4.694 1.00 0.00 H new ATOM 0 HB3 CYS A 71 85.709 6.302 -6.216 1.00 0.00 H new ATOM 0 HG CYS A 71 86.041 3.666 -6.447 1.00 0.00 H new ATOM 1136 N VAL A 72 89.193 6.780 -4.853 1.00 0.00 N ATOM 1137 CA VAL A 72 90.453 7.105 -5.506 1.00 0.00 C ATOM 1138 C VAL A 72 91.153 5.776 -5.846 1.00 0.00 C ATOM 1139 O VAL A 72 92.362 5.705 -6.100 1.00 0.00 O ATOM 1140 CB VAL A 72 91.293 7.992 -4.539 1.00 0.00 C ATOM 1141 CG1 VAL A 72 91.968 7.242 -3.398 1.00 0.00 C ATOM 1142 CG2 VAL A 72 92.201 8.964 -5.246 1.00 0.00 C ATOM 0 H VAL A 72 89.291 6.227 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 72 90.313 7.667 -6.429 1.00 0.00 H new ATOM 0 HB VAL A 72 90.546 8.606 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 72 92.528 7.945 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 72 91.211 6.748 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 72 92.649 6.495 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 72 92.754 9.547 -4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 72 92.902 8.415 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 72 91.605 9.634 -5.866 1.00 0.00 H new ATOM 1152 N LEU A 73 90.325 4.737 -5.877 1.00 0.00 N ATOM 1153 CA LEU A 73 90.683 3.380 -6.146 1.00 0.00 C ATOM 1154 C LEU A 73 91.270 3.383 -7.512 1.00 0.00 C ATOM 1155 O LEU A 73 90.523 3.662 -8.461 1.00 0.00 O ATOM 1156 CB LEU A 73 89.334 2.617 -6.129 1.00 0.00 C ATOM 1157 CG LEU A 73 89.323 1.121 -6.252 1.00 0.00 C ATOM 1158 CD1 LEU A 73 90.168 0.505 -5.197 1.00 0.00 C ATOM 1159 CD2 LEU A 73 87.884 0.592 -6.181 1.00 0.00 C ATOM 0 H LEU A 73 89.326 4.845 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 73 91.389 2.933 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 73 88.828 2.871 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 73 88.725 3.015 -6.941 1.00 0.00 H new ATOM 0 HG LEU A 73 89.741 0.847 -7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 73 90.148 -0.580 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 73 91.193 0.860 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 73 89.784 0.782 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 73 87.891 -0.494 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 73 87.439 0.874 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 73 87.298 1.020 -6.995 1.00 0.00 H new ATOM 1171 N GLY A 74 92.617 3.090 -7.607 1.00 0.00 N ATOM 1172 CA GLY A 74 93.412 3.226 -8.875 1.00 0.00 C ATOM 1173 C GLY A 74 92.882 4.316 -9.745 1.00 0.00 C ATOM 1174 O GLY A 74 92.621 4.117 -10.906 1.00 0.00 O ATOM 0 H GLY A 74 93.169 2.758 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 74 94.454 3.430 -8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 74 93.391 2.283 -9.420 1.00 0.00 H new ATOM 1178 N HIS A 75 92.594 5.453 -9.077 1.00 0.00 N ATOM 1179 CA HIS A 75 92.140 6.699 -9.683 1.00 0.00 C ATOM 1180 C HIS A 75 93.118 6.912 -10.781 1.00 0.00 C ATOM 1181 O HIS A 75 92.782 6.918 -11.956 1.00 0.00 O ATOM 1182 CB HIS A 75 92.215 7.765 -8.555 1.00 0.00 C ATOM 1183 CG HIS A 75 91.425 9.016 -8.701 1.00 0.00 C ATOM 1184 ND1 HIS A 75 91.693 10.244 -8.213 1.00 0.00 N flip ATOM 1185 CD2 HIS A 75 90.195 9.105 -9.277 1.00 0.00 C flip ATOM 1186 CE1 HIS A 75 90.652 11.085 -8.483 1.00 0.00 C flip ATOM 1187 NE2 HIS A 75 89.773 10.352 -9.115 1.00 0.00 N flip ATOM 0 H HIS A 75 92.678 5.519 -8.063 1.00 0.00 H new ATOM 0 HA HIS A 75 91.127 6.724 -10.084 1.00 0.00 H new ATOM 0 HB2 HIS A 75 91.906 7.286 -7.626 1.00 0.00 H new ATOM 0 HB3 HIS A 75 93.261 8.047 -8.436 1.00 0.00 H new ATOM 0 HD2 HIS A 75 89.662 8.308 -9.774 1.00 0.00 H new ATOM 0 HE1 HIS A 75 90.572 12.132 -8.229 1.00 0.00 H new ATOM 0 HE2 HIS A 75 88.871 10.697 -9.444 1.00 0.00 H new ATOM 1195 N THR A 76 94.287 7.124 -10.342 1.00 0.00 N ATOM 1196 CA THR A 76 95.512 6.846 -10.970 1.00 0.00 C ATOM 1197 C THR A 76 96.491 6.991 -9.893 1.00 0.00 C ATOM 1198 O THR A 76 96.223 7.806 -8.993 1.00 0.00 O ATOM 1199 CB THR A 76 95.903 7.670 -12.223 1.00 0.00 C ATOM 1200 OG1 THR A 76 95.600 9.042 -12.069 1.00 0.00 O ATOM 1201 CG2 THR A 76 95.289 7.105 -13.483 1.00 0.00 C ATOM 0 H THR A 76 94.428 7.547 -9.425 1.00 0.00 H new ATOM 0 HA THR A 76 95.453 5.854 -11.419 1.00 0.00 H new ATOM 0 HB THR A 76 96.985 7.589 -12.327 1.00 0.00 H new ATOM 0 HG1 THR A 76 94.762 9.246 -12.534 1.00 0.00 H new ATOM 0 HG21 THR A 76 95.588 7.712 -14.337 1.00 0.00 H new ATOM 0 HG22 THR A 76 95.633 6.081 -13.627 1.00 0.00 H new ATOM 0 HG23 THR A 76 94.203 7.114 -13.394 1.00 0.00 H new ATOM 1209 N HIS A 77 97.507 6.217 -9.847 1.00 0.00 N ATOM 1210 CA HIS A 77 98.558 6.461 -8.871 1.00 0.00 C ATOM 1211 C HIS A 77 99.034 7.946 -8.925 1.00 0.00 C ATOM 1212 O HIS A 77 99.335 8.551 -7.905 1.00 0.00 O ATOM 1213 CB HIS A 77 99.711 5.527 -9.089 1.00 0.00 C ATOM 1214 CG HIS A 77 100.238 4.987 -7.837 1.00 0.00 C ATOM 1215 ND1 HIS A 77 99.636 4.173 -6.957 1.00 0.00 N flip ATOM 1216 CD2 HIS A 77 101.499 5.217 -7.360 1.00 0.00 C flip ATOM 1217 CE1 HIS A 77 100.512 3.893 -5.931 1.00 0.00 C flip ATOM 1218 NE2 HIS A 77 101.622 4.547 -6.223 1.00 0.00 N flip ATOM 0 H HIS A 77 97.655 5.412 -10.455 1.00 0.00 H new ATOM 0 HA HIS A 77 98.148 6.273 -7.879 1.00 0.00 H new ATOM 0 HB2 HIS A 77 99.392 4.705 -9.730 1.00 0.00 H new ATOM 0 HB3 HIS A 77 100.506 6.053 -9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 77 102.256 5.832 -7.825 1.00 0.00 H new ATOM 0 HE1 HIS A 77 100.329 3.269 -5.068 1.00 0.00 H new ATOM 0 HE2 HIS A 77 102.464 4.538 -5.648 1.00 0.00 H new ATOM 1226 N ALA A 78 99.031 8.526 -10.113 1.00 0.00 N ATOM 1227 CA ALA A 78 99.350 9.940 -10.258 1.00 0.00 C ATOM 1228 C ALA A 78 98.311 10.819 -9.523 1.00 0.00 C ATOM 1229 O ALA A 78 98.673 11.741 -8.802 1.00 0.00 O ATOM 1230 CB ALA A 78 99.443 10.320 -11.723 1.00 0.00 C ATOM 0 H ALA A 78 98.813 8.046 -10.986 1.00 0.00 H new ATOM 0 HA ALA A 78 100.323 10.118 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 78 99.682 11.380 -11.809 1.00 0.00 H new ATOM 0 HB2 ALA A 78 100.225 9.731 -12.203 1.00 0.00 H new ATOM 0 HB3 ALA A 78 98.489 10.122 -12.211 1.00 0.00 H new ATOM 1236 N GLN A 79 97.022 10.491 -9.675 1.00 0.00 N ATOM 1237 CA GLN A 79 95.961 11.234 -9.026 1.00 0.00 C ATOM 1238 C GLN A 79 95.969 11.080 -7.521 1.00 0.00 C ATOM 1239 O GLN A 79 95.759 12.037 -6.791 1.00 0.00 O ATOM 1240 CB GLN A 79 94.618 10.838 -9.567 1.00 0.00 C ATOM 1241 CG GLN A 79 94.284 11.470 -10.902 1.00 0.00 C ATOM 1242 CD GLN A 79 94.201 12.994 -10.893 1.00 0.00 C ATOM 1243 OE1 GLN A 79 94.883 13.683 -10.141 1.00 0.00 O ATOM 1244 NE2 GLN A 79 93.364 13.525 -11.722 1.00 0.00 N ATOM 0 H GLN A 79 96.699 9.711 -10.247 1.00 0.00 H new ATOM 0 HA GLN A 79 96.149 12.284 -9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 79 94.584 9.753 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 79 93.850 11.113 -8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 79 95.037 11.167 -11.629 1.00 0.00 H new ATOM 0 HG3 GLN A 79 93.330 11.071 -11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 79 92.808 12.930 -12.337 1.00 0.00 H new ATOM 0 HE22 GLN A 79 93.259 14.539 -11.761 1.00 0.00 H new ATOM 1253 N VAL A 80 96.206 9.876 -7.060 1.00 0.00 N ATOM 1254 CA VAL A 80 96.239 9.606 -5.644 1.00 0.00 C ATOM 1255 C VAL A 80 97.378 10.372 -4.967 1.00 0.00 C ATOM 1256 O VAL A 80 97.160 11.037 -3.956 1.00 0.00 O ATOM 1257 CB VAL A 80 96.328 8.085 -5.337 1.00 0.00 C ATOM 1258 CG1 VAL A 80 95.204 7.327 -5.966 1.00 0.00 C ATOM 1259 CG2 VAL A 80 97.654 7.480 -5.699 1.00 0.00 C ATOM 0 H VAL A 80 96.380 9.062 -7.650 1.00 0.00 H new ATOM 0 HA VAL A 80 95.295 9.959 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 80 96.235 7.999 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 80 95.302 6.268 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 80 94.254 7.699 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 80 95.235 7.461 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 80 97.647 6.417 -5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 80 97.834 7.609 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 80 98.445 7.974 -5.135 1.00 0.00 H new ATOM 1269 N VAL A 81 98.576 10.338 -5.575 1.00 0.00 N ATOM 1270 CA VAL A 81 99.716 11.028 -5.026 1.00 0.00 C ATOM 1271 C VAL A 81 99.457 12.509 -5.053 1.00 0.00 C ATOM 1272 O VAL A 81 99.731 13.190 -4.090 1.00 0.00 O ATOM 1273 CB VAL A 81 101.052 10.660 -5.744 1.00 0.00 C ATOM 1274 CG1 VAL A 81 102.220 11.475 -5.190 1.00 0.00 C ATOM 1275 CG2 VAL A 81 101.343 9.174 -5.567 1.00 0.00 C ATOM 0 H VAL A 81 98.762 9.837 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 81 99.845 10.703 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 81 100.940 10.892 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 81 103.137 11.197 -5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 81 102.026 12.537 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 81 102.331 11.273 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 81 102.277 8.924 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 81 101.430 8.944 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 81 100.530 8.590 -5.999 1.00 0.00 H new ATOM 1285 N LYS A 82 98.840 12.979 -6.129 1.00 0.00 N ATOM 1286 CA LYS A 82 98.436 14.363 -6.252 1.00 0.00 C ATOM 1287 C LYS A 82 97.528 14.775 -5.088 1.00 0.00 C ATOM 1288 O LYS A 82 97.716 15.822 -4.529 1.00 0.00 O ATOM 1289 CB LYS A 82 97.807 14.583 -7.669 1.00 0.00 C ATOM 1290 CG LYS A 82 96.673 15.607 -7.817 1.00 0.00 C ATOM 1291 CD LYS A 82 95.364 15.022 -7.300 1.00 0.00 C ATOM 1292 CE LYS A 82 94.174 15.925 -7.408 1.00 0.00 C ATOM 1293 NZ LYS A 82 93.687 16.053 -8.791 1.00 0.00 N ATOM 0 H LYS A 82 98.608 12.406 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 82 99.300 15.024 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 82 98.609 14.877 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 82 97.432 13.621 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 82 96.918 16.514 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 82 96.564 15.891 -8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 82 95.154 14.104 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 82 95.496 14.746 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.372 15.541 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.435 16.912 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.648 16.019 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.006 16.959 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.062 15.271 -9.365 1.00 0.00 H new ATOM 1307 N ILE A 83 96.580 13.921 -4.718 1.00 0.00 N ATOM 1308 CA ILE A 83 95.655 14.200 -3.624 1.00 0.00 C ATOM 1309 C ILE A 83 96.368 14.291 -2.269 1.00 0.00 C ATOM 1310 O ILE A 83 96.066 15.149 -1.442 1.00 0.00 O ATOM 1311 CB ILE A 83 94.476 13.191 -3.617 1.00 0.00 C ATOM 1312 CG1 ILE A 83 93.355 13.688 -4.538 1.00 0.00 C ATOM 1313 CG2 ILE A 83 93.944 12.888 -2.222 1.00 0.00 C ATOM 1314 CD1 ILE A 83 92.728 15.019 -4.130 1.00 0.00 C ATOM 0 H ILE A 83 96.431 13.017 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 83 95.227 15.187 -3.799 1.00 0.00 H new ATOM 0 HB ILE A 83 94.866 12.246 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 83 93.752 13.785 -5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 83 92.572 12.930 -4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 83 93.122 12.176 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 83 94.741 12.462 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 83 93.588 13.809 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 83 91.947 15.286 -4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 83 92.296 14.927 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 83 93.493 15.795 -4.123 1.00 0.00 H new ATOM 1326 N PHE A 84 97.352 13.470 -2.094 1.00 0.00 N ATOM 1327 CA PHE A 84 98.142 13.455 -0.868 1.00 0.00 C ATOM 1328 C PHE A 84 99.088 14.632 -0.843 1.00 0.00 C ATOM 1329 O PHE A 84 99.380 15.178 0.205 1.00 0.00 O ATOM 1330 CB PHE A 84 98.888 12.129 -0.707 1.00 0.00 C ATOM 1331 CG PHE A 84 97.948 10.993 -0.488 1.00 0.00 C ATOM 1332 CD1 PHE A 84 97.006 11.075 0.512 1.00 0.00 C ATOM 1333 CD2 PHE A 84 97.968 9.877 -1.296 1.00 0.00 C ATOM 1334 CE1 PHE A 84 96.108 10.077 0.717 1.00 0.00 C ATOM 1335 CE2 PHE A 84 97.059 8.860 -1.107 1.00 0.00 C ATOM 1336 CZ PHE A 84 96.121 8.959 -0.092 1.00 0.00 C ATOM 0 H PHE A 84 97.645 12.782 -2.788 1.00 0.00 H new ATOM 0 HA PHE A 84 97.465 13.546 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 84 99.489 11.939 -1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 84 99.578 12.199 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 84 96.980 11.949 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 84 98.703 9.799 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 84 95.383 10.158 1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 84 97.077 7.990 -1.746 1.00 0.00 H new ATOM 0 HZ PHE A 84 95.405 8.166 0.065 1.00 0.00 H new ATOM 1346 N GLN A 85 99.543 15.011 -2.017 1.00 0.00 N ATOM 1347 CA GLN A 85 100.354 16.182 -2.235 1.00 0.00 C ATOM 1348 C GLN A 85 99.532 17.454 -2.110 1.00 0.00 C ATOM 1349 O GLN A 85 100.060 18.540 -1.872 1.00 0.00 O ATOM 1350 CB GLN A 85 100.986 16.059 -3.603 1.00 0.00 C ATOM 1351 CG GLN A 85 102.130 15.081 -3.605 1.00 0.00 C ATOM 1352 CD GLN A 85 103.175 15.399 -2.552 1.00 0.00 C ATOM 1353 OE1 GLN A 85 103.104 14.920 -1.413 1.00 0.00 O ATOM 1354 NE2 GLN A 85 104.129 16.199 -2.903 1.00 0.00 N ATOM 0 H GLN A 85 99.350 14.492 -2.874 1.00 0.00 H new ATOM 0 HA GLN A 85 101.132 16.247 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 85 100.233 15.739 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 85 101.343 17.036 -3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 85 101.744 14.076 -3.435 1.00 0.00 H new ATOM 0 HG3 GLN A 85 102.600 15.080 -4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 85 104.156 16.575 -3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 85 104.854 16.453 -2.232 1.00 0.00 H new ATOM 1363 N SER A 86 98.247 17.296 -2.280 1.00 0.00 N ATOM 1364 CA SER A 86 97.288 18.351 -2.125 1.00 0.00 C ATOM 1365 C SER A 86 97.032 18.588 -0.636 1.00 0.00 C ATOM 1366 O SER A 86 96.802 19.728 -0.189 1.00 0.00 O ATOM 1367 CB SER A 86 95.999 17.944 -2.844 1.00 0.00 C ATOM 1368 OG SER A 86 96.195 17.890 -4.250 1.00 0.00 O ATOM 0 H SER A 86 97.828 16.402 -2.538 1.00 0.00 H new ATOM 0 HA SER A 86 97.661 19.279 -2.559 1.00 0.00 H new ATOM 0 HB2 SER A 86 95.668 16.971 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 86 95.208 18.657 -2.611 1.00 0.00 H new ATOM 0 HG SER A 86 96.422 16.974 -4.514 1.00 0.00 H new ATOM 1374 N ILE A 87 97.061 17.515 0.118 1.00 0.00 N ATOM 1375 CA ILE A 87 96.898 17.557 1.525 1.00 0.00 C ATOM 1376 C ILE A 87 98.195 18.020 2.195 1.00 0.00 C ATOM 1377 O ILE A 87 99.270 17.555 1.860 1.00 0.00 O ATOM 1378 CB ILE A 87 96.360 16.193 2.049 1.00 0.00 C ATOM 1379 CG1 ILE A 87 94.877 16.127 1.734 1.00 0.00 C ATOM 1380 CG2 ILE A 87 96.615 15.956 3.536 1.00 0.00 C ATOM 1381 CD1 ILE A 87 94.212 14.836 2.105 1.00 0.00 C ATOM 0 H ILE A 87 97.203 16.575 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 87 96.143 18.296 1.793 1.00 0.00 H new ATOM 0 HB ILE A 87 96.906 15.397 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 87 94.373 16.942 2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 87 94.739 16.297 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 87 96.211 14.986 3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 87 97.688 15.974 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 87 96.128 16.739 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 87 93.155 14.883 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 87 94.684 14.015 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 87 94.312 14.670 3.178 1.00 0.00 H new ATOM 1393 N PRO A 88 98.104 18.953 3.130 1.00 0.00 N ATOM 1394 CA PRO A 88 99.267 19.585 3.740 1.00 0.00 C ATOM 1395 C PRO A 88 99.762 18.847 4.994 1.00 0.00 C ATOM 1396 O PRO A 88 99.064 18.020 5.555 1.00 0.00 O ATOM 1397 CB PRO A 88 98.736 20.969 4.117 1.00 0.00 C ATOM 1398 CG PRO A 88 97.218 20.877 4.057 1.00 0.00 C ATOM 1399 CD PRO A 88 96.868 19.449 3.732 1.00 0.00 C ATOM 0 HA PRO A 88 100.126 19.594 3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.069 21.254 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 88 99.107 21.728 3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.777 21.174 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.822 21.552 3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 88 96.595 18.884 4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 88 96.026 19.384 3.043 1.00 0.00 H new ATOM 1407 N ILE A 89 100.993 19.114 5.385 1.00 0.00 N ATOM 1408 CA ILE A 89 101.585 18.522 6.587 1.00 0.00 C ATOM 1409 C ILE A 89 100.841 18.936 7.813 1.00 0.00 C ATOM 1410 O ILE A 89 100.523 20.112 7.993 1.00 0.00 O ATOM 1411 CB ILE A 89 103.080 18.873 6.727 1.00 0.00 C ATOM 1412 CG1 ILE A 89 103.875 18.182 5.682 1.00 0.00 C ATOM 1413 CG2 ILE A 89 103.661 18.593 8.119 1.00 0.00 C ATOM 1414 CD1 ILE A 89 103.826 16.714 5.793 1.00 0.00 C ATOM 0 H ILE A 89 101.617 19.746 4.884 1.00 0.00 H new ATOM 0 HA ILE A 89 101.505 17.440 6.478 1.00 0.00 H new ATOM 0 HB ILE A 89 103.148 19.952 6.589 1.00 0.00 H new ATOM 0 HG12 ILE A 89 103.508 18.478 4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 89 104.912 18.511 5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 89 104.716 18.867 8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 89 103.123 19.180 8.863 1.00 0.00 H new ATOM 0 HG23 ILE A 89 103.558 17.533 8.350 1.00 0.00 H new ATOM 0 HD11 ILE A 89 104.427 16.269 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 89 104.220 16.409 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 89 102.794 16.376 5.699 1.00 0.00 H new ATOM 1426 N GLY A 90 100.557 17.973 8.633 1.00 0.00 N ATOM 1427 CA GLY A 90 99.810 18.250 9.843 1.00 0.00 C ATOM 1428 C GLY A 90 98.327 17.989 9.658 1.00 0.00 C ATOM 1429 O GLY A 90 97.499 18.371 10.496 1.00 0.00 O ATOM 0 H GLY A 90 100.822 16.997 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 90 100.190 17.631 10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 90 99.963 19.289 10.136 1.00 0.00 H new ATOM 1433 N ALA A 91 97.992 17.340 8.563 1.00 0.00 N ATOM 1434 CA ALA A 91 96.595 17.103 8.210 1.00 0.00 C ATOM 1435 C ALA A 91 96.203 15.705 8.601 1.00 0.00 C ATOM 1436 O ALA A 91 96.946 15.028 9.293 1.00 0.00 O ATOM 1437 CB ALA A 91 96.416 17.287 6.737 1.00 0.00 C ATOM 0 H ALA A 91 98.665 16.963 7.896 1.00 0.00 H new ATOM 0 HA ALA A 91 95.961 17.812 8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 91 95.374 17.110 6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 91 96.693 18.304 6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 91 97.051 16.581 6.202 1.00 0.00 H new ATOM 1443 N SER A 92 95.033 15.273 8.222 1.00 0.00 N ATOM 1444 CA SER A 92 94.620 13.914 8.485 1.00 0.00 C ATOM 1445 C SER A 92 93.663 13.487 7.416 1.00 0.00 C ATOM 1446 O SER A 92 93.009 14.333 6.824 1.00 0.00 O ATOM 1447 CB SER A 92 93.971 13.786 9.833 1.00 0.00 C ATOM 1448 OG SER A 92 94.797 14.322 10.873 1.00 0.00 O ATOM 0 H SER A 92 94.344 15.840 7.728 1.00 0.00 H new ATOM 0 HA SER A 92 95.502 13.274 8.483 1.00 0.00 H new ATOM 0 HB2 SER A 92 93.013 14.305 9.826 1.00 0.00 H new ATOM 0 HB3 SER A 92 93.763 12.736 10.038 1.00 0.00 H new ATOM 0 HG SER A 92 95.693 14.503 10.519 1.00 0.00 H new ATOM 1454 N VAL A 93 93.564 12.192 7.132 1.00 0.00 N ATOM 1455 CA VAL A 93 92.734 11.820 6.007 1.00 0.00 C ATOM 1456 C VAL A 93 92.032 10.543 6.198 1.00 0.00 C ATOM 1457 O VAL A 93 92.664 9.534 6.341 1.00 0.00 O ATOM 1458 CB VAL A 93 93.513 11.595 4.731 1.00 0.00 C ATOM 1459 CG1 VAL A 93 92.741 11.876 3.513 1.00 0.00 C ATOM 1460 CG2 VAL A 93 94.873 12.150 4.747 1.00 0.00 C ATOM 0 H VAL A 93 94.019 11.429 7.633 1.00 0.00 H new ATOM 0 HA VAL A 93 92.053 12.668 5.936 1.00 0.00 H new ATOM 0 HB VAL A 93 93.685 10.519 4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 93 93.364 11.693 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 93 91.866 11.226 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 93 92.420 12.917 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 93 95.361 11.944 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 93 94.824 13.227 4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 93 95.444 11.691 5.554 1.00 0.00 H new ATOM 1470 N ASP A 94 90.762 10.571 6.051 1.00 0.00 N ATOM 1471 CA ASP A 94 89.966 9.380 6.135 1.00 0.00 C ATOM 1472 C ASP A 94 90.094 8.634 4.810 1.00 0.00 C ATOM 1473 O ASP A 94 89.588 9.071 3.783 1.00 0.00 O ATOM 1474 CB ASP A 94 88.503 9.723 6.414 1.00 0.00 C ATOM 1475 CG ASP A 94 88.283 10.497 7.684 1.00 0.00 C ATOM 1476 OD1 ASP A 94 88.341 11.758 7.648 1.00 0.00 O ATOM 1477 OD2 ASP A 94 87.999 9.883 8.735 1.00 0.00 O ATOM 0 H ASP A 94 90.229 11.421 5.867 1.00 0.00 H new ATOM 0 HA ASP A 94 90.318 8.756 6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 94 88.111 10.301 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 94 87.927 8.799 6.461 1.00 0.00 H new ATOM 1482 N LEU A 95 90.839 7.582 4.835 1.00 0.00 N ATOM 1483 CA LEU A 95 91.121 6.759 3.685 1.00 0.00 C ATOM 1484 C LEU A 95 90.415 5.433 3.824 1.00 0.00 C ATOM 1485 O LEU A 95 90.266 4.923 4.925 1.00 0.00 O ATOM 1486 CB LEU A 95 92.625 6.495 3.621 1.00 0.00 C ATOM 1487 CG LEU A 95 93.512 7.725 3.544 1.00 0.00 C ATOM 1488 CD1 LEU A 95 94.973 7.335 3.607 1.00 0.00 C ATOM 1489 CD2 LEU A 95 93.229 8.485 2.277 1.00 0.00 C ATOM 0 H LEU A 95 91.291 7.250 5.687 1.00 0.00 H new ATOM 0 HA LEU A 95 90.780 7.270 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 95 92.911 5.919 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 95 92.828 5.870 2.752 1.00 0.00 H new ATOM 0 HG LEU A 95 93.292 8.366 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 95 95.591 8.231 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 95 95.171 6.816 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 95 95.210 6.677 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 95 93.870 9.366 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 95 93.428 7.845 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 95 92.184 8.795 2.265 1.00 0.00 H new ATOM 1501 N GLU A 96 89.992 4.872 2.738 1.00 0.00 N ATOM 1502 CA GLU A 96 89.371 3.583 2.797 1.00 0.00 C ATOM 1503 C GLU A 96 90.309 2.540 2.214 1.00 0.00 C ATOM 1504 O GLU A 96 90.715 2.626 1.042 1.00 0.00 O ATOM 1505 CB GLU A 96 88.004 3.595 2.130 1.00 0.00 C ATOM 1506 CG GLU A 96 87.154 2.376 2.444 1.00 0.00 C ATOM 1507 CD GLU A 96 85.699 2.632 2.168 1.00 0.00 C ATOM 1508 OE1 GLU A 96 85.038 3.290 3.006 1.00 0.00 O ATOM 1509 OE2 GLU A 96 85.189 2.230 1.116 1.00 0.00 O ATOM 0 H GLU A 96 90.063 5.279 1.805 1.00 0.00 H new ATOM 0 HA GLU A 96 89.187 3.316 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 96 87.466 4.490 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 96 88.138 3.664 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 96 87.495 1.530 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 96 87.284 2.101 3.491 1.00 0.00 H new ATOM 1516 N LEU A 97 90.694 1.627 3.068 1.00 0.00 N ATOM 1517 CA LEU A 97 91.619 0.555 2.792 1.00 0.00 C ATOM 1518 C LEU A 97 90.889 -0.777 2.709 1.00 0.00 C ATOM 1519 O LEU A 97 90.063 -1.110 3.590 1.00 0.00 O ATOM 1520 CB LEU A 97 92.596 0.416 3.953 1.00 0.00 C ATOM 1521 CG LEU A 97 93.504 1.571 4.281 1.00 0.00 C ATOM 1522 CD1 LEU A 97 94.143 1.309 5.625 1.00 0.00 C ATOM 1523 CD2 LEU A 97 94.579 1.679 3.236 1.00 0.00 C ATOM 0 H LEU A 97 90.352 1.610 4.029 1.00 0.00 H new ATOM 0 HA LEU A 97 92.121 0.789 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 97 92.015 0.189 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 97 93.225 -0.451 3.753 1.00 0.00 H new ATOM 0 HG LEU A 97 92.933 2.499 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 97 94.805 2.136 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.367 1.218 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 97 94.718 0.384 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 97 95.236 2.516 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 97 95.160 0.757 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 97 94.122 1.843 2.260 1.00 0.00 H new ATOM 1535 N CYS A 98 91.205 -1.538 1.717 1.00 0.00 N ATOM 1536 CA CYS A 98 90.675 -2.847 1.570 1.00 0.00 C ATOM 1537 C CYS A 98 91.722 -3.911 1.878 1.00 0.00 C ATOM 1538 O CYS A 98 92.745 -3.945 1.323 1.00 0.00 O ATOM 1539 CB CYS A 98 90.065 -3.060 0.183 1.00 0.00 C ATOM 1540 SG CYS A 98 89.547 -4.767 -0.155 1.00 0.00 S ATOM 0 H CYS A 98 91.849 -1.262 0.975 1.00 0.00 H new ATOM 0 HA CYS A 98 89.872 -2.950 2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 98 89.202 -2.403 0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 98 90.792 -2.758 -0.571 1.00 0.00 H new ATOM 0 HG CYS A 98 88.503 -4.758 -0.929 1.00 0.00 H new ATOM 1546 N ARG A 99 91.445 -4.760 2.766 1.00 0.00 N ATOM 1547 CA ARG A 99 92.361 -5.838 3.038 1.00 0.00 C ATOM 1548 C ARG A 99 91.848 -7.082 2.441 1.00 0.00 C ATOM 1549 O ARG A 99 90.713 -7.474 2.674 1.00 0.00 O ATOM 1550 CB ARG A 99 92.751 -5.985 4.510 1.00 0.00 C ATOM 1551 CG ARG A 99 94.102 -5.403 4.791 1.00 0.00 C ATOM 1552 CD ARG A 99 94.495 -5.470 6.244 1.00 0.00 C ATOM 1553 NE ARG A 99 93.439 -5.080 7.143 1.00 0.00 N ATOM 1554 CZ ARG A 99 93.591 -4.178 8.125 1.00 0.00 C ATOM 1555 NH1 ARG A 99 94.410 -3.138 7.959 1.00 0.00 N ATOM 1556 NH2 ARG A 99 92.826 -4.243 9.205 1.00 0.00 N ATOM 0 H ARG A 99 90.598 -4.755 3.334 1.00 0.00 H new ATOM 0 HA ARG A 99 93.308 -5.588 2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 99 92.006 -5.491 5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 99 92.746 -7.040 4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 99 94.847 -5.931 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 99 94.115 -4.362 4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 99 94.807 -6.487 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 99 95.358 -4.825 6.409 1.00 0.00 H new ATOM 0 HE ARG A 99 92.523 -5.514 7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 99 94.922 -3.027 7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 99 94.524 -2.454 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 99 92.123 -4.978 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 99 92.940 -3.558 9.953 1.00 0.00 H new ATOM 1570 N GLY A 100 92.644 -7.659 1.635 1.00 0.00 N ATOM 1571 CA GLY A 100 92.223 -8.827 0.932 1.00 0.00 C ATOM 1572 C GLY A 100 93.116 -9.127 -0.212 1.00 0.00 C ATOM 1573 O GLY A 100 93.176 -10.267 -0.691 1.00 0.00 O ATOM 0 H GLY A 100 93.596 -7.351 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 100 92.207 -9.677 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 100 91.204 -8.688 0.572 1.00 0.00 H new ATOM 1577 N TYR A 101 93.793 -8.118 -0.693 1.00 0.00 N ATOM 1578 CA TYR A 101 94.733 -8.322 -1.753 1.00 0.00 C ATOM 1579 C TYR A 101 96.147 -8.463 -1.198 1.00 0.00 C ATOM 1580 O TYR A 101 96.530 -7.755 -0.261 1.00 0.00 O ATOM 1581 CB TYR A 101 94.616 -7.236 -2.820 1.00 0.00 C ATOM 1582 CG TYR A 101 93.375 -7.398 -3.685 1.00 0.00 C ATOM 1583 CD1 TYR A 101 92.099 -7.099 -3.200 1.00 0.00 C ATOM 1584 CD2 TYR A 101 93.484 -7.885 -4.978 1.00 0.00 C ATOM 1585 CE1 TYR A 101 90.976 -7.280 -3.988 1.00 0.00 C ATOM 1586 CE2 TYR A 101 92.373 -8.068 -5.769 1.00 0.00 C ATOM 1587 CZ TYR A 101 91.127 -7.772 -5.280 1.00 0.00 C ATOM 1588 OH TYR A 101 90.032 -7.961 -6.089 1.00 0.00 O ATOM 0 H TYR A 101 93.709 -7.155 -0.368 1.00 0.00 H new ATOM 0 HA TYR A 101 94.494 -9.261 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 101 94.593 -6.259 -2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 101 95.502 -7.258 -3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 101 91.988 -6.721 -2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 101 94.460 -8.126 -5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 101 89.995 -7.042 -3.605 1.00 0.00 H new ATOM 0 HE2 TYR A 101 92.483 -8.445 -6.775 1.00 0.00 H new ATOM 0 HH TYR A 101 89.251 -8.175 -5.537 1.00 0.00 H new ATOM 1598 N PRO A 102 96.933 -9.402 -1.760 1.00 0.00 N ATOM 1599 CA PRO A 102 98.274 -9.735 -1.263 1.00 0.00 C ATOM 1600 C PRO A 102 99.249 -8.583 -1.402 1.00 0.00 C ATOM 1601 O PRO A 102 99.178 -7.803 -2.372 1.00 0.00 O ATOM 1602 CB PRO A 102 98.734 -10.885 -2.176 1.00 0.00 C ATOM 1603 CG PRO A 102 97.513 -11.370 -2.857 1.00 0.00 C ATOM 1604 CD PRO A 102 96.590 -10.199 -2.949 1.00 0.00 C ATOM 0 HA PRO A 102 98.244 -9.983 -0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 102 99.474 -10.539 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 102 99.202 -11.681 -1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 102 97.749 -11.758 -3.848 1.00 0.00 H new ATOM 0 HG3 PRO A 102 97.053 -12.184 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 102 96.746 -9.636 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 102 95.545 -10.509 -2.938 1.00 0.00 H new ATOM 1612 N LEU A 103 100.133 -8.474 -0.410 1.00 0.00 N ATOM 1613 CA LEU A 103 101.208 -7.534 -0.385 1.00 0.00 C ATOM 1614 C LEU A 103 102.010 -7.615 -1.663 1.00 0.00 C ATOM 1615 O LEU A 103 102.474 -8.698 -2.036 1.00 0.00 O ATOM 1616 CB LEU A 103 102.123 -7.853 0.769 1.00 0.00 C ATOM 1617 CG LEU A 103 102.080 -6.856 1.899 1.00 0.00 C ATOM 1618 CD1 LEU A 103 102.900 -7.354 3.024 1.00 0.00 C ATOM 1619 CD2 LEU A 103 102.606 -5.507 1.434 1.00 0.00 C ATOM 0 H LEU A 103 100.102 -9.068 0.419 1.00 0.00 H new ATOM 0 HA LEU A 103 100.790 -6.533 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 103 101.863 -8.837 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 103 103.146 -7.917 0.398 1.00 0.00 H new ATOM 0 HG LEU A 103 101.048 -6.733 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 103 102.870 -6.635 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 103 102.505 -8.310 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 103 103.930 -7.485 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 103 102.569 -4.797 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 103 103.636 -5.615 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 103 101.990 -5.140 0.613 1.00 0.00 H new ATOM 1631 N PRO A 104 102.137 -6.489 -2.360 1.00 0.00 N ATOM 1632 CA PRO A 104 102.892 -6.384 -3.605 1.00 0.00 C ATOM 1633 C PRO A 104 104.398 -6.493 -3.403 1.00 0.00 C ATOM 1634 O PRO A 104 104.882 -7.150 -2.476 1.00 0.00 O ATOM 1635 CB PRO A 104 102.554 -4.974 -4.125 1.00 0.00 C ATOM 1636 CG PRO A 104 101.435 -4.502 -3.295 1.00 0.00 C ATOM 1637 CD PRO A 104 101.536 -5.217 -1.992 1.00 0.00 C ATOM 0 HA PRO A 104 102.628 -7.194 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 104 103.413 -4.309 -4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 104 102.276 -5.001 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 104 101.490 -3.423 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 104 100.480 -4.711 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 104 102.153 -4.671 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 104 100.558 -5.352 -1.529 1.00 0.00 H new ATOM 1645 N PHE A 105 105.111 -5.849 -4.269 1.00 0.00 N ATOM 1646 CA PHE A 105 106.554 -5.879 -4.268 1.00 0.00 C ATOM 1647 C PHE A 105 107.092 -5.179 -3.080 1.00 0.00 C ATOM 1648 O PHE A 105 106.683 -4.072 -2.720 1.00 0.00 O ATOM 1649 CB PHE A 105 107.088 -5.339 -5.592 1.00 0.00 C ATOM 1650 CG PHE A 105 108.556 -5.528 -5.848 1.00 0.00 C ATOM 1651 CD1 PHE A 105 109.036 -6.753 -6.272 1.00 0.00 C ATOM 1652 CD2 PHE A 105 109.447 -4.478 -5.707 1.00 0.00 C ATOM 1653 CE1 PHE A 105 110.374 -6.932 -6.539 1.00 0.00 C ATOM 1654 CE2 PHE A 105 110.787 -4.655 -5.979 1.00 0.00 C ATOM 1655 CZ PHE A 105 111.250 -5.882 -6.395 1.00 0.00 C ATOM 0 H PHE A 105 104.710 -5.276 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 105 106.902 -6.909 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 105 106.536 -5.815 -6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 105 106.868 -4.273 -5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 105 108.352 -7.580 -6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 105 109.090 -3.512 -5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 105 110.736 -7.897 -6.862 1.00 0.00 H new ATOM 0 HE2 PHE A 105 111.474 -3.829 -5.865 1.00 0.00 H new ATOM 0 HZ PHE A 105 112.300 -6.020 -6.608 1.00 0.00 H new ATOM 1665 N ASP A 106 107.985 -5.871 -2.470 1.00 0.00 N ATOM 1666 CA ASP A 106 108.601 -5.499 -1.275 1.00 0.00 C ATOM 1667 C ASP A 106 110.095 -5.279 -1.515 1.00 0.00 C ATOM 1668 O ASP A 106 110.934 -6.165 -1.340 1.00 0.00 O ATOM 1669 CB ASP A 106 108.304 -6.593 -0.257 1.00 0.00 C ATOM 1670 CG ASP A 106 108.824 -7.996 -0.601 1.00 0.00 C ATOM 1671 OD1 ASP A 106 108.331 -8.627 -1.590 1.00 0.00 O ATOM 1672 OD2 ASP A 106 109.731 -8.502 0.112 1.00 0.00 O ATOM 0 H ASP A 106 108.317 -6.767 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 106 108.219 -4.555 -0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 106 108.730 -6.295 0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 106 107.224 -6.651 -0.121 1.00 0.00 H new ATOM 1677 N PRO A 107 110.443 -4.073 -1.940 1.00 0.00 N ATOM 1678 CA PRO A 107 111.801 -3.741 -2.285 1.00 0.00 C ATOM 1679 C PRO A 107 112.627 -3.293 -1.112 1.00 0.00 C ATOM 1680 O PRO A 107 113.655 -3.883 -0.792 1.00 0.00 O ATOM 1681 CB PRO A 107 111.630 -2.602 -3.266 1.00 0.00 C ATOM 1682 CG PRO A 107 110.362 -1.929 -2.875 1.00 0.00 C ATOM 1683 CD PRO A 107 109.523 -2.941 -2.161 1.00 0.00 C ATOM 0 HA PRO A 107 112.335 -4.606 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 107 112.472 -1.912 -3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 107 111.579 -2.971 -4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 107 110.564 -1.074 -2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 107 109.841 -1.550 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 107 109.139 -2.549 -1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 107 108.661 -3.238 -2.758 1.00 0.00 H new ATOM 1691 N ASP A 108 112.179 -2.257 -0.484 1.00 0.00 N ATOM 1692 CA ASP A 108 112.928 -1.648 0.601 1.00 0.00 C ATOM 1693 C ASP A 108 112.381 -2.117 1.910 1.00 0.00 C ATOM 1694 O ASP A 108 112.953 -1.881 2.967 1.00 0.00 O ATOM 1695 CB ASP A 108 112.865 -0.127 0.485 1.00 0.00 C ATOM 1696 CG ASP A 108 113.731 0.603 1.500 1.00 0.00 C ATOM 1697 OD1 ASP A 108 114.965 0.473 1.445 1.00 0.00 O ATOM 1698 OD2 ASP A 108 113.183 1.357 2.331 1.00 0.00 O ATOM 0 H ASP A 108 111.292 -1.800 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 108 113.975 -1.946 0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 108 113.174 0.164 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 108 111.831 0.195 0.606 1.00 0.00 H new ATOM 1703 N ASP A 109 111.288 -2.834 1.831 1.00 0.00 N ATOM 1704 CA ASP A 109 110.649 -3.328 3.047 1.00 0.00 C ATOM 1705 C ASP A 109 111.428 -4.453 3.547 1.00 0.00 C ATOM 1706 O ASP A 109 111.663 -5.426 2.850 1.00 0.00 O ATOM 1707 CB ASP A 109 109.180 -3.701 2.874 1.00 0.00 C ATOM 1708 CG ASP A 109 108.437 -3.588 4.180 1.00 0.00 C ATOM 1709 OD1 ASP A 109 108.350 -2.461 4.726 1.00 0.00 O ATOM 1710 OD2 ASP A 109 107.903 -4.580 4.669 1.00 0.00 O ATOM 0 H ASP A 109 110.822 -3.090 0.961 1.00 0.00 H new ATOM 0 HA ASP A 109 110.638 -2.514 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 109 108.720 -3.048 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 109 109.102 -4.720 2.494 1.00 0.00 H new ATOM 1715 N PRO A 110 111.894 -4.314 4.757 1.00 0.00 N ATOM 1716 CA PRO A 110 112.792 -5.274 5.352 1.00 0.00 C ATOM 1717 C PRO A 110 112.041 -6.390 6.001 1.00 0.00 C ATOM 1718 O PRO A 110 112.466 -7.525 6.073 1.00 0.00 O ATOM 1719 CB PRO A 110 113.377 -4.418 6.428 1.00 0.00 C ATOM 1720 CG PRO A 110 112.268 -3.605 6.924 1.00 0.00 C ATOM 1721 CD PRO A 110 111.575 -3.165 5.717 1.00 0.00 C ATOM 0 HA PRO A 110 113.485 -5.738 4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 110 113.805 -5.026 7.225 1.00 0.00 H new ATOM 0 HB3 PRO A 110 114.180 -3.792 6.039 1.00 0.00 H new ATOM 0 HG2 PRO A 110 111.610 -4.183 7.572 1.00 0.00 H new ATOM 0 HG3 PRO A 110 112.626 -2.757 7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 110 110.503 -3.048 5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 110 111.949 -2.208 5.353 1.00 0.00 H new ATOM 1729 N ASN A 111 110.900 -6.004 6.404 1.00 0.00 N ATOM 1730 CA ASN A 111 109.969 -6.647 7.229 1.00 0.00 C ATOM 1731 C ASN A 111 109.500 -7.962 6.681 1.00 0.00 C ATOM 1732 O ASN A 111 108.863 -8.759 7.363 1.00 0.00 O ATOM 1733 CB ASN A 111 108.818 -5.701 7.333 1.00 0.00 C ATOM 1734 CG ASN A 111 107.791 -6.073 8.309 1.00 0.00 C ATOM 1735 OD1 ASN A 111 106.802 -6.741 8.004 1.00 0.00 O ATOM 1736 ND2 ASN A 111 108.002 -5.651 9.471 1.00 0.00 N ATOM 0 H ASN A 111 110.548 -5.091 6.117 1.00 0.00 H new ATOM 0 HA ASN A 111 110.424 -6.882 8.191 1.00 0.00 H new ATOM 0 HB2 ASN A 111 109.202 -4.714 7.592 1.00 0.00 H new ATOM 0 HB3 ASN A 111 108.350 -5.614 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 111 107.338 -5.857 10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 111 108.838 -5.101 9.670 1.00 0.00 H new ATOM 1743 N THR A 112 109.873 -8.202 5.499 1.00 0.00 N ATOM 1744 CA THR A 112 109.378 -9.291 4.797 1.00 0.00 C ATOM 1745 C THR A 112 110.313 -10.488 4.981 1.00 0.00 C ATOM 1746 O THR A 112 109.918 -11.652 4.812 1.00 0.00 O ATOM 1747 CB THR A 112 109.104 -8.914 3.322 1.00 0.00 C ATOM 1748 OG1 THR A 112 110.326 -8.486 2.699 1.00 0.00 O ATOM 1749 CG2 THR A 112 108.103 -7.749 3.266 1.00 0.00 C ATOM 0 H THR A 112 110.545 -7.634 4.984 1.00 0.00 H new ATOM 0 HA THR A 112 108.410 -9.593 5.197 1.00 0.00 H new ATOM 0 HB THR A 112 108.701 -9.784 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 112 110.319 -8.743 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 112 107.911 -7.484 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 112 107.170 -8.048 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 112 108.518 -6.887 3.789 1.00 0.00 H new ATOM 1757 N SER A 113 111.537 -10.188 5.385 1.00 0.00 N ATOM 1758 CA SER A 113 112.482 -11.193 5.757 1.00 0.00 C ATOM 1759 C SER A 113 112.206 -11.511 7.225 1.00 0.00 C ATOM 1760 O SER A 113 111.657 -10.666 7.959 1.00 0.00 O ATOM 1761 CB SER A 113 113.909 -10.656 5.590 1.00 0.00 C ATOM 1762 OG SER A 113 114.176 -10.253 4.252 1.00 0.00 O ATOM 0 H SER A 113 111.890 -9.234 5.460 1.00 0.00 H new ATOM 0 HA SER A 113 112.389 -12.083 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 113 114.058 -9.809 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 113 114.622 -11.425 5.886 1.00 0.00 H new ATOM 0 HG SER A 113 115.094 -9.916 4.189 1.00 0.00 H new ATOM 1768 N LEU A 114 112.540 -12.696 7.641 1.00 0.00 N ATOM 1769 CA LEU A 114 112.274 -13.130 8.990 1.00 0.00 C ATOM 1770 C LEU A 114 113.175 -12.421 9.980 1.00 0.00 C ATOM 1771 O LEU A 114 114.401 -12.525 9.897 1.00 0.00 O ATOM 1772 CB LEU A 114 112.384 -14.655 9.137 1.00 0.00 C ATOM 1773 CG LEU A 114 111.236 -15.512 8.549 1.00 0.00 C ATOM 1774 CD1 LEU A 114 111.118 -15.384 7.035 1.00 0.00 C ATOM 1775 CD2 LEU A 114 111.418 -16.957 8.943 1.00 0.00 C ATOM 0 H LEU A 114 113.005 -13.393 7.059 1.00 0.00 H new ATOM 0 HA LEU A 114 111.243 -12.859 9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 114 113.315 -14.972 8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 114 112.467 -14.886 10.199 1.00 0.00 H new ATOM 0 HG LEU A 114 110.304 -15.132 8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 114 110.297 -16.007 6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 114 110.925 -14.344 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 114 112.048 -15.709 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 114 110.606 -17.553 8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.371 -17.322 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.408 -17.042 10.030 1.00 0.00 H new ATOM 1787 N VAL A 115 112.542 -11.709 10.907 1.00 0.00 N ATOM 1788 CA VAL A 115 113.194 -10.916 11.940 1.00 0.00 C ATOM 1789 C VAL A 115 113.973 -9.760 11.300 1.00 0.00 C ATOM 1790 O VAL A 115 115.206 -9.779 11.197 1.00 0.00 O ATOM 1791 CB VAL A 115 114.104 -11.774 12.887 1.00 0.00 C ATOM 1792 CG1 VAL A 115 114.676 -10.929 14.026 1.00 0.00 C ATOM 1793 CG2 VAL A 115 113.326 -12.958 13.458 1.00 0.00 C ATOM 0 H VAL A 115 111.524 -11.668 10.960 1.00 0.00 H new ATOM 0 HA VAL A 115 112.412 -10.504 12.578 1.00 0.00 H new ATOM 0 HB VAL A 115 114.934 -12.150 12.289 1.00 0.00 H new ATOM 0 HG11 VAL A 115 115.302 -11.554 14.664 1.00 0.00 H new ATOM 0 HG12 VAL A 115 115.275 -10.118 13.612 1.00 0.00 H new ATOM 0 HG13 VAL A 115 113.859 -10.512 14.615 1.00 0.00 H new ATOM 0 HG21 VAL A 115 113.976 -13.539 14.112 1.00 0.00 H new ATOM 0 HG22 VAL A 115 112.472 -12.592 14.028 1.00 0.00 H new ATOM 0 HG23 VAL A 115 112.974 -13.589 12.642 1.00 0.00 H new ATOM 1803 N THR A 116 113.228 -8.796 10.781 1.00 0.00 N ATOM 1804 CA THR A 116 113.800 -7.607 10.177 1.00 0.00 C ATOM 1805 C THR A 116 112.929 -6.386 10.619 1.00 0.00 C ATOM 1806 O THR A 116 112.102 -6.549 11.520 1.00 0.00 O ATOM 1807 CB THR A 116 113.870 -7.773 8.618 1.00 0.00 C ATOM 1808 OG1 THR A 116 114.103 -9.159 8.341 1.00 0.00 O ATOM 1809 CG2 THR A 116 115.095 -7.035 8.079 1.00 0.00 C ATOM 0 H THR A 116 112.208 -8.818 10.768 1.00 0.00 H new ATOM 0 HA THR A 116 114.825 -7.444 10.510 1.00 0.00 H new ATOM 0 HB THR A 116 112.951 -7.394 8.171 1.00 0.00 H new ATOM 0 HG1 THR A 116 113.252 -9.645 8.365 1.00 0.00 H new ATOM 0 HG21 THR A 116 115.142 -7.151 6.996 1.00 0.00 H new ATOM 0 HG22 THR A 116 115.020 -5.976 8.328 1.00 0.00 H new ATOM 0 HG23 THR A 116 115.997 -7.451 8.528 1.00 0.00 H new ATOM 1817 N SER A 117 113.118 -5.204 10.001 1.00 0.00 N ATOM 1818 CA SER A 117 112.438 -3.918 10.343 1.00 0.00 C ATOM 1819 C SER A 117 112.886 -3.356 11.672 1.00 0.00 C ATOM 1820 O SER A 117 112.685 -3.966 12.734 1.00 0.00 O ATOM 1821 CB SER A 117 110.894 -3.887 10.149 1.00 0.00 C ATOM 1822 OG SER A 117 110.229 -4.925 10.819 1.00 0.00 O ATOM 0 H SER A 117 113.769 -5.104 9.222 1.00 0.00 H new ATOM 0 HA SER A 117 112.790 -3.232 9.573 1.00 0.00 H new ATOM 0 HB2 SER A 117 110.510 -2.931 10.503 1.00 0.00 H new ATOM 0 HB3 SER A 117 110.667 -3.947 9.085 1.00 0.00 H new ATOM 0 HG SER A 117 110.847 -5.360 11.444 1.00 0.00 H new ATOM 1828 N VAL A 118 113.527 -2.187 11.591 1.00 0.00 N ATOM 1829 CA VAL A 118 114.185 -1.526 12.716 1.00 0.00 C ATOM 1830 C VAL A 118 115.299 -2.473 13.204 1.00 0.00 C ATOM 1831 O VAL A 118 115.732 -2.467 14.352 1.00 0.00 O ATOM 1832 CB VAL A 118 113.185 -1.147 13.868 1.00 0.00 C ATOM 1833 CG1 VAL A 118 113.841 -0.230 14.903 1.00 0.00 C ATOM 1834 CG2 VAL A 118 111.946 -0.478 13.302 1.00 0.00 C ATOM 0 H VAL A 118 113.603 -1.663 10.719 1.00 0.00 H new ATOM 0 HA VAL A 118 114.605 -0.573 12.393 1.00 0.00 H new ATOM 0 HB VAL A 118 112.897 -2.073 14.366 1.00 0.00 H new ATOM 0 HG11 VAL A 118 113.120 0.011 15.684 1.00 0.00 H new ATOM 0 HG12 VAL A 118 114.699 -0.736 15.345 1.00 0.00 H new ATOM 0 HG13 VAL A 118 114.171 0.689 14.418 1.00 0.00 H new ATOM 0 HG21 VAL A 118 111.266 -0.223 14.115 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.233 0.430 12.771 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.448 -1.159 12.612 1.00 0.00 H new ATOM 1844 N ALA A 119 115.766 -3.270 12.267 1.00 0.00 N ATOM 1845 CA ALA A 119 116.756 -4.284 12.478 1.00 0.00 C ATOM 1846 C ALA A 119 117.161 -4.826 11.136 1.00 0.00 C ATOM 1847 O ALA A 119 116.356 -5.449 10.449 1.00 0.00 O ATOM 1848 CB ALA A 119 116.188 -5.424 13.328 1.00 0.00 C ATOM 0 H ALA A 119 115.447 -3.220 11.299 1.00 0.00 H new ATOM 0 HA ALA A 119 117.611 -3.855 13.001 1.00 0.00 H new ATOM 0 HB1 ALA A 119 116.955 -6.184 13.477 1.00 0.00 H new ATOM 0 HB2 ALA A 119 115.871 -5.034 14.295 1.00 0.00 H new ATOM 0 HB3 ALA A 119 115.333 -5.867 12.818 1.00 0.00 H new ATOM 1854 N ILE A 120 118.365 -4.566 10.745 1.00 0.00 N ATOM 1855 CA ILE A 120 118.883 -5.090 9.518 1.00 0.00 C ATOM 1856 C ILE A 120 119.946 -6.059 9.880 1.00 0.00 C ATOM 1857 O ILE A 120 121.112 -5.699 10.092 1.00 0.00 O ATOM 1858 CB ILE A 120 119.475 -4.029 8.555 1.00 0.00 C ATOM 1859 CG1 ILE A 120 118.412 -2.979 8.197 1.00 0.00 C ATOM 1860 CG2 ILE A 120 119.997 -4.731 7.278 1.00 0.00 C ATOM 1861 CD1 ILE A 120 118.910 -1.865 7.299 1.00 0.00 C ATOM 0 H ILE A 120 119.021 -3.984 11.266 1.00 0.00 H new ATOM 0 HA ILE A 120 118.051 -5.539 8.976 1.00 0.00 H new ATOM 0 HB ILE A 120 120.303 -3.518 9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 120 117.576 -3.478 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 120 118.026 -2.542 9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 120 120.414 -3.988 6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 120 120.771 -5.450 7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 120 119.175 -5.251 6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 120 118.096 -1.169 7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 120 119.725 -1.336 7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 120 119.268 -2.287 6.360 1.00 0.00 H new ATOM 1873 N LEU A 121 119.546 -7.250 10.039 1.00 0.00 N ATOM 1874 CA LEU A 121 120.448 -8.276 10.352 1.00 0.00 C ATOM 1875 C LEU A 121 120.895 -8.868 9.058 1.00 0.00 C ATOM 1876 O LEU A 121 120.056 -9.230 8.217 1.00 0.00 O ATOM 1877 CB LEU A 121 119.771 -9.291 11.239 1.00 0.00 C ATOM 1878 CG LEU A 121 119.180 -8.717 12.539 1.00 0.00 C ATOM 1879 CD1 LEU A 121 118.364 -9.769 13.264 1.00 0.00 C ATOM 1880 CD2 LEU A 121 120.292 -8.203 13.449 1.00 0.00 C ATOM 0 H LEU A 121 118.574 -7.546 9.955 1.00 0.00 H new ATOM 0 HA LEU A 121 121.314 -7.907 10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 121 118.972 -9.772 10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 121 120.492 -10.067 11.495 1.00 0.00 H new ATOM 0 HG LEU A 121 118.526 -7.885 12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 121 117.955 -9.344 14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 121 117.548 -10.103 12.623 1.00 0.00 H new ATOM 0 HD13 LEU A 121 119.002 -10.618 13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 121 119.857 -7.801 14.364 1.00 0.00 H new ATOM 0 HD22 LEU A 121 120.966 -9.022 13.698 1.00 0.00 H new ATOM 0 HD23 LEU A 121 120.848 -7.418 12.936 1.00 0.00 H new ATOM 1892 N ASP A 122 122.201 -8.876 8.887 1.00 0.00 N ATOM 1893 CA ASP A 122 122.911 -9.346 7.685 1.00 0.00 C ATOM 1894 C ASP A 122 122.876 -8.312 6.569 1.00 0.00 C ATOM 1895 O ASP A 122 121.843 -7.712 6.287 1.00 0.00 O ATOM 1896 CB ASP A 122 122.379 -10.683 7.165 1.00 0.00 C ATOM 1897 CG ASP A 122 123.236 -11.263 6.057 1.00 0.00 C ATOM 1898 OD1 ASP A 122 123.052 -10.895 4.876 1.00 0.00 O ATOM 1899 OD2 ASP A 122 124.113 -12.110 6.354 1.00 0.00 O ATOM 0 H ASP A 122 122.839 -8.542 9.609 1.00 0.00 H new ATOM 0 HA ASP A 122 123.944 -9.497 7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 122 122.328 -11.394 7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 122 121.362 -10.547 6.798 1.00 0.00 H new ATOM 1904 N LYS A 123 124.006 -8.093 5.961 1.00 0.00 N ATOM 1905 CA LYS A 123 124.119 -7.198 4.839 1.00 0.00 C ATOM 1906 C LYS A 123 125.079 -7.773 3.813 1.00 0.00 C ATOM 1907 O LYS A 123 125.935 -7.076 3.270 1.00 0.00 O ATOM 1908 CB LYS A 123 124.497 -5.733 5.240 1.00 0.00 C ATOM 1909 CG LYS A 123 125.787 -5.528 6.065 1.00 0.00 C ATOM 1910 CD LYS A 123 125.640 -5.926 7.539 1.00 0.00 C ATOM 1911 CE LYS A 123 124.607 -5.065 8.280 1.00 0.00 C ATOM 1912 NZ LYS A 123 124.956 -3.618 8.285 1.00 0.00 N ATOM 0 H LYS A 123 124.885 -8.534 6.231 1.00 0.00 H new ATOM 0 HA LYS A 123 123.129 -7.118 4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 123 124.586 -5.147 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 123 123.665 -5.315 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 123 126.592 -6.112 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 123 126.083 -4.481 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 123 125.347 -6.974 7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 123 126.607 -5.835 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 123 123.630 -5.196 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 123 124.519 -5.416 9.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 124.302 -3.105 8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 125.930 -3.497 8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 124.881 -3.239 7.319 1.00 0.00 H new ATOM 1926 N GLU A 124 124.947 -9.060 3.579 1.00 0.00 N ATOM 1927 CA GLU A 124 125.756 -9.759 2.600 1.00 0.00 C ATOM 1928 C GLU A 124 125.204 -9.430 1.204 1.00 0.00 C ATOM 1929 O GLU A 124 123.995 -9.197 1.077 1.00 0.00 O ATOM 1930 CB GLU A 124 125.652 -11.271 2.847 1.00 0.00 C ATOM 1931 CG GLU A 124 126.547 -12.122 1.965 1.00 0.00 C ATOM 1932 CD GLU A 124 126.268 -13.590 2.089 1.00 0.00 C ATOM 1933 OE1 GLU A 124 126.540 -14.169 3.160 1.00 0.00 O ATOM 1934 OE2 GLU A 124 125.786 -14.201 1.103 1.00 0.00 O ATOM 0 H GLU A 124 124.274 -9.655 4.063 1.00 0.00 H new ATOM 0 HA GLU A 124 126.800 -9.453 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 124 125.896 -11.472 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 124 124.617 -11.579 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 124 126.417 -11.820 0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 124 127.589 -11.933 2.224 1.00 0.00 H new ATOM 1941 N PRO A 125 126.067 -9.328 0.163 1.00 0.00 N ATOM 1942 CA PRO A 125 125.629 -9.129 -1.226 1.00 0.00 C ATOM 1943 C PRO A 125 124.670 -10.237 -1.677 1.00 0.00 C ATOM 1944 O PRO A 125 123.469 -9.977 -1.773 1.00 0.00 O ATOM 1945 CB PRO A 125 126.934 -9.179 -2.043 1.00 0.00 C ATOM 1946 CG PRO A 125 127.957 -9.749 -1.121 1.00 0.00 C ATOM 1947 CD PRO A 125 127.538 -9.345 0.254 1.00 0.00 C ATOM 1948 OXT PRO A 125 125.111 -11.397 -1.870 1.00 0.00 O ATOM 0 HA PRO A 125 125.083 -8.194 -1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 125 126.817 -9.799 -2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 125 127.223 -8.185 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 125 128.004 -10.834 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 125 128.950 -9.366 -1.355 1.00 0.00 H new ATOM 0 HD2 PRO A 125 127.887 -10.052 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 125 127.937 -8.368 0.526 1.00 0.00 H new TER 1956 PRO A 125