USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1081 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 85 GLN : amide:sc= 0.328 K(o=0.33,f=-3.2!) USER MOD Set 1.2: B 153 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 77 HIS : no HE2:sc= -2.25! C(o=-1.6!,f=-6!) USER MOD Set 2.2: B 155 THR OG1 : rot 161:sc= -0.336 USER MOD Set 2.3: B 159 THR OG1 : rot -30:sc= 0.948 USER MOD Set 3.1: A 44 LYS NZ :NH3+ 176:sc= 1.61 (180deg=0.522) USER MOD Set 3.2: B 160 GLN : amide:sc= -2.88! C(o=-1.3!,f=-15!) USER MOD Set 4.1: A 23 SER OG : rot 180:sc= 0.121 USER MOD Set 4.2: A 24 SER OG : rot 180:sc= 0.00421 USER MOD Single : A 1 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0843) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0854 F(o=-1.3,f=-0.085) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0811) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 18 THR OG1 : rot -160:sc= -2.26! USER MOD Single : A 19 LYS NZ :NH3+ 129:sc= -0.0867 (180deg=-0.55) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= -0.239 (180deg=-0.726) USER MOD Single : A 30 THR OG1 : rot -170:sc= -1.69! USER MOD Single : A 42 GLN : amide:sc= 0.36 K(o=0.36,f=-3.6!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0706 USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= 0.104 (180deg=-2.33!) USER MOD Single : A 58 MET CE :methyl -177:sc= -1.97! (180deg=-2.16!) USER MOD Single : A 60 THR OG1 : rot -172:sc= 0.257 USER MOD Single : A 66 SER OG : rot -121:sc= 1.09 USER MOD Single : A 68 ASN : amide:sc= -0.694 X(o=-0.69,f=-0.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -1.15 F(o=-1.8,f=-1.2) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= 0 (180deg=-1.07) USER MOD Single : A 86 SER OG : rot -88:sc= 1.29 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -88:sc= 1.21 USER MOD Single : A 101 TYR OH : rot -33:sc= 0.762 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.382 F(o=-3!,f=-0.38) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.382 USER MOD Single : A 113 SER OG : rot -138:sc= 1.16 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 48:sc= 0.0237 USER MOD Single : A 123 LYS NZ :NH3+ -163:sc= -0.107 (180deg=-0.507) USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 115.518 7.997 -24.633 1.00 0.00 N ATOM 2 CA GLY A -3 115.931 9.386 -24.483 1.00 0.00 C ATOM 3 C GLY A -3 117.246 9.470 -23.769 1.00 0.00 C ATOM 4 O GLY A -3 118.214 8.819 -24.170 1.00 0.00 O ATOM 0 H1 GLY A -3 114.605 7.958 -25.130 1.00 0.00 H new ATOM 0 H2 GLY A -3 116.234 7.479 -25.182 1.00 0.00 H new ATOM 0 H3 GLY A -3 115.420 7.561 -23.694 1.00 0.00 H new ATOM 0 HA2 GLY A -3 116.013 9.855 -25.464 1.00 0.00 H new ATOM 0 HA3 GLY A -3 115.173 9.939 -23.928 1.00 0.00 H new ATOM 10 N ALA A -2 117.293 10.249 -22.714 1.00 0.00 N ATOM 11 CA ALA A -2 118.498 10.406 -21.923 1.00 0.00 C ATOM 12 C ALA A -2 118.132 10.517 -20.458 1.00 0.00 C ATOM 13 O ALA A -2 118.811 11.186 -19.668 1.00 0.00 O ATOM 14 CB ALA A -2 119.277 11.636 -22.377 1.00 0.00 C ATOM 0 H ALA A -2 116.499 10.793 -22.377 1.00 0.00 H new ATOM 0 HA ALA A -2 119.134 9.532 -22.064 1.00 0.00 H new ATOM 0 HB1 ALA A -2 120.178 11.739 -21.773 1.00 0.00 H new ATOM 0 HB2 ALA A -2 119.553 11.525 -23.426 1.00 0.00 H new ATOM 0 HB3 ALA A -2 118.657 12.524 -22.257 1.00 0.00 H new ATOM 20 N MET A -1 117.067 9.852 -20.088 1.00 0.00 N ATOM 21 CA MET A -1 116.559 9.905 -18.734 1.00 0.00 C ATOM 22 C MET A -1 117.220 8.862 -17.846 1.00 0.00 C ATOM 23 O MET A -1 116.562 7.985 -17.275 1.00 0.00 O ATOM 24 CB MET A -1 115.024 9.792 -18.687 1.00 0.00 C ATOM 25 CG MET A -1 114.266 11.012 -19.227 1.00 0.00 C ATOM 26 SD MET A -1 114.524 11.340 -20.992 1.00 0.00 S ATOM 27 CE MET A -1 113.466 12.773 -21.208 1.00 0.00 C ATOM 0 H MET A -1 116.525 9.257 -20.715 1.00 0.00 H new ATOM 0 HA MET A -1 116.819 10.886 -18.338 1.00 0.00 H new ATOM 0 HB2 MET A -1 114.722 8.914 -19.258 1.00 0.00 H new ATOM 0 HB3 MET A -1 114.719 9.622 -17.655 1.00 0.00 H new ATOM 0 HG2 MET A -1 113.200 10.869 -19.049 1.00 0.00 H new ATOM 0 HG3 MET A -1 114.569 11.892 -18.659 1.00 0.00 H new ATOM 0 HE1 MET A -1 113.509 13.104 -22.246 1.00 0.00 H new ATOM 0 HE2 MET A -1 112.439 12.509 -20.954 1.00 0.00 H new ATOM 0 HE3 MET A -1 113.806 13.578 -20.556 1.00 0.00 H new ATOM 37 N GLY A 0 118.522 8.971 -17.730 1.00 0.00 N ATOM 38 CA GLY A 0 119.279 8.091 -16.893 1.00 0.00 C ATOM 39 C GLY A 0 119.666 8.777 -15.613 1.00 0.00 C ATOM 40 O GLY A 0 120.796 8.649 -15.137 1.00 0.00 O ATOM 0 H GLY A 0 119.080 9.674 -18.215 1.00 0.00 H new ATOM 0 HA2 GLY A 0 118.693 7.199 -16.671 1.00 0.00 H new ATOM 0 HA3 GLY A 0 120.174 7.761 -17.420 1.00 0.00 H new ATOM 44 N LYS A 1 118.747 9.536 -15.078 1.00 0.00 N ATOM 45 CA LYS A 1 118.950 10.249 -13.842 1.00 0.00 C ATOM 46 C LYS A 1 118.023 9.670 -12.805 1.00 0.00 C ATOM 47 O LYS A 1 116.943 9.166 -13.145 1.00 0.00 O ATOM 48 CB LYS A 1 118.633 11.758 -13.970 1.00 0.00 C ATOM 49 CG LYS A 1 119.513 12.574 -14.911 1.00 0.00 C ATOM 50 CD LYS A 1 119.148 12.415 -16.385 1.00 0.00 C ATOM 51 CE LYS A 1 117.711 12.859 -16.684 1.00 0.00 C ATOM 52 NZ LYS A 1 117.417 14.232 -16.220 1.00 0.00 N ATOM 0 H LYS A 1 117.826 9.679 -15.492 1.00 0.00 H new ATOM 0 HA LYS A 1 119.999 10.144 -13.567 1.00 0.00 H new ATOM 0 HB2 LYS A 1 117.599 11.860 -14.300 1.00 0.00 H new ATOM 0 HB3 LYS A 1 118.696 12.203 -12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 1 119.441 13.627 -14.640 1.00 0.00 H new ATOM 0 HG3 LYS A 1 120.553 12.279 -14.769 1.00 0.00 H new ATOM 0 HD2 LYS A 1 119.839 12.999 -16.992 1.00 0.00 H new ATOM 0 HD3 LYS A 1 119.271 11.372 -16.676 1.00 0.00 H new ATOM 0 HE2 LYS A 1 117.535 12.800 -17.758 1.00 0.00 H new ATOM 0 HE3 LYS A 1 117.017 12.165 -16.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 116.481 14.523 -16.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 117.422 14.256 -15.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 118.140 14.884 -16.585 1.00 0.00 H new ATOM 66 N PRO A 2 118.413 9.709 -11.538 1.00 0.00 N ATOM 67 CA PRO A 2 117.561 9.244 -10.482 1.00 0.00 C ATOM 68 C PRO A 2 116.430 10.220 -10.236 1.00 0.00 C ATOM 69 O PRO A 2 116.623 11.447 -10.197 1.00 0.00 O ATOM 70 CB PRO A 2 118.463 9.155 -9.266 1.00 0.00 C ATOM 71 CG PRO A 2 119.605 10.068 -9.545 1.00 0.00 C ATOM 72 CD PRO A 2 119.711 10.205 -11.040 1.00 0.00 C ATOM 0 HA PRO A 2 117.097 8.287 -10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 2 117.933 9.456 -8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 2 118.808 8.133 -9.108 1.00 0.00 H new ATOM 0 HG2 PRO A 2 119.442 11.040 -9.080 1.00 0.00 H new ATOM 0 HG3 PRO A 2 120.529 9.666 -9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 2 119.882 11.240 -11.335 1.00 0.00 H new ATOM 0 HD3 PRO A 2 120.541 9.620 -11.436 1.00 0.00 H new ATOM 80 N PHE A 3 115.278 9.689 -10.092 1.00 0.00 N ATOM 81 CA PHE A 3 114.109 10.454 -9.880 1.00 0.00 C ATOM 82 C PHE A 3 113.740 10.409 -8.420 1.00 0.00 C ATOM 83 O PHE A 3 113.751 9.341 -7.796 1.00 0.00 O ATOM 84 CB PHE A 3 112.974 9.965 -10.789 1.00 0.00 C ATOM 85 CG PHE A 3 112.674 8.516 -10.695 1.00 0.00 C ATOM 86 CD1 PHE A 3 113.410 7.575 -11.396 1.00 0.00 C ATOM 87 CD2 PHE A 3 111.650 8.103 -9.917 1.00 0.00 C ATOM 88 CE1 PHE A 3 113.105 6.237 -11.298 1.00 0.00 C ATOM 89 CE2 PHE A 3 111.337 6.793 -9.808 1.00 0.00 C ATOM 90 CZ PHE A 3 112.058 5.843 -10.498 1.00 0.00 C ATOM 0 H PHE A 3 115.115 8.682 -10.119 1.00 0.00 H new ATOM 0 HA PHE A 3 114.293 11.495 -10.145 1.00 0.00 H new ATOM 0 HB2 PHE A 3 112.070 10.524 -10.548 1.00 0.00 H new ATOM 0 HB3 PHE A 3 113.229 10.201 -11.822 1.00 0.00 H new ATOM 0 HD1 PHE A 3 114.229 7.894 -12.024 1.00 0.00 H new ATOM 0 HD2 PHE A 3 111.071 8.833 -9.372 1.00 0.00 H new ATOM 0 HE1 PHE A 3 113.681 5.504 -11.843 1.00 0.00 H new ATOM 0 HE2 PHE A 3 110.516 6.489 -9.176 1.00 0.00 H new ATOM 0 HZ PHE A 3 111.803 4.797 -10.411 1.00 0.00 H new ATOM 100 N PHE A 4 113.502 11.550 -7.869 1.00 0.00 N ATOM 101 CA PHE A 4 113.180 11.675 -6.480 1.00 0.00 C ATOM 102 C PHE A 4 112.219 12.817 -6.224 1.00 0.00 C ATOM 103 O PHE A 4 112.274 13.868 -6.891 1.00 0.00 O ATOM 104 CB PHE A 4 114.472 11.893 -5.624 1.00 0.00 C ATOM 105 CG PHE A 4 114.208 12.626 -4.325 1.00 0.00 C ATOM 106 CD1 PHE A 4 113.713 11.972 -3.216 1.00 0.00 C ATOM 107 CD2 PHE A 4 114.368 14.008 -4.266 1.00 0.00 C ATOM 108 CE1 PHE A 4 113.386 12.681 -2.080 1.00 0.00 C ATOM 109 CE2 PHE A 4 114.053 14.706 -3.135 1.00 0.00 C ATOM 110 CZ PHE A 4 113.556 14.044 -2.040 1.00 0.00 C ATOM 0 H PHE A 4 113.525 12.436 -8.373 1.00 0.00 H new ATOM 0 HA PHE A 4 112.699 10.742 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 4 114.922 10.925 -5.403 1.00 0.00 H new ATOM 0 HB3 PHE A 4 115.198 12.456 -6.210 1.00 0.00 H new ATOM 0 HD1 PHE A 4 113.581 10.900 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 4 114.747 14.536 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 4 112.994 12.163 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 4 114.195 15.776 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 4 113.299 14.594 -1.147 1.00 0.00 H new ATOM 120 N THR A 5 111.348 12.577 -5.301 1.00 0.00 N ATOM 121 CA THR A 5 110.584 13.583 -4.645 1.00 0.00 C ATOM 122 C THR A 5 110.089 13.108 -3.317 1.00 0.00 C ATOM 123 O THR A 5 110.262 13.799 -2.301 1.00 0.00 O ATOM 124 CB THR A 5 109.533 14.349 -5.506 1.00 0.00 C ATOM 125 OG1 THR A 5 108.946 15.420 -4.739 1.00 0.00 O ATOM 126 CG2 THR A 5 108.432 13.449 -6.055 1.00 0.00 C ATOM 0 H THR A 5 111.141 11.635 -4.970 1.00 0.00 H new ATOM 0 HA THR A 5 111.292 14.390 -4.457 1.00 0.00 H new ATOM 0 HB THR A 5 110.073 14.751 -6.364 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.289 15.895 -5.290 1.00 0.00 H new ATOM 0 HG21 THR A 5 107.735 14.045 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 5 108.873 12.678 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.899 12.980 -5.228 1.00 0.00 H new ATOM 134 N ARG A 6 109.590 11.895 -3.331 1.00 0.00 N ATOM 135 CA ARG A 6 109.012 11.162 -2.179 1.00 0.00 C ATOM 136 C ARG A 6 108.010 10.181 -2.699 1.00 0.00 C ATOM 137 O ARG A 6 107.643 9.247 -2.033 1.00 0.00 O ATOM 138 CB ARG A 6 108.262 12.098 -1.238 1.00 0.00 C ATOM 139 CG ARG A 6 107.124 12.843 -1.891 1.00 0.00 C ATOM 140 CD ARG A 6 106.660 13.911 -0.995 1.00 0.00 C ATOM 141 NE ARG A 6 105.946 13.384 0.187 1.00 0.00 N ATOM 142 CZ ARG A 6 105.442 14.131 1.182 1.00 0.00 C ATOM 143 NH1 ARG A 6 105.581 15.456 1.174 1.00 0.00 N ATOM 144 NH2 ARG A 6 104.794 13.547 2.184 1.00 0.00 N ATOM 0 H ARG A 6 109.565 11.342 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 6 109.830 10.683 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 6 107.871 11.519 -0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 6 108.965 12.820 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 6 107.450 13.267 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 6 106.306 12.158 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 6 107.514 14.502 -0.666 1.00 0.00 H new ATOM 0 HD3 ARG A 6 106.000 14.582 -1.545 1.00 0.00 H new ATOM 0 HE ARG A 6 105.827 12.373 0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 6 106.074 15.912 0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 6 105.194 16.014 1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 6 104.680 12.533 2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 6 104.410 14.112 2.941 1.00 0.00 H new ATOM 158 N ASN A 7 107.563 10.419 -3.895 1.00 0.00 N ATOM 159 CA ASN A 7 106.464 9.639 -4.434 1.00 0.00 C ATOM 160 C ASN A 7 106.769 8.172 -4.680 1.00 0.00 C ATOM 161 O ASN A 7 107.596 7.801 -5.502 1.00 0.00 O ATOM 162 CB ASN A 7 105.836 10.279 -5.674 1.00 0.00 C ATOM 163 CG ASN A 7 104.786 11.307 -5.323 1.00 0.00 C ATOM 164 OD1 ASN A 7 105.156 12.553 -5.294 1.00 0.00 O flip ATOM 165 ND2 ASN A 7 103.625 10.969 -5.127 1.00 0.00 N flip ATOM 0 H ASN A 7 107.930 11.137 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 7 105.730 9.653 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 7 106.617 10.750 -6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 7 105.387 9.502 -6.293 1.00 0.00 H new ATOM 0 HD21 ASN A 7 103.369 9.982 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 7 102.914 11.674 -4.934 1.00 0.00 H new ATOM 172 N PRO A 8 106.035 7.285 -3.985 1.00 0.00 N ATOM 173 CA PRO A 8 106.114 5.850 -4.252 1.00 0.00 C ATOM 174 C PRO A 8 105.660 5.626 -5.629 1.00 0.00 C ATOM 175 O PRO A 8 106.076 4.746 -6.345 1.00 0.00 O ATOM 176 CB PRO A 8 105.003 5.286 -3.445 1.00 0.00 C ATOM 177 CG PRO A 8 104.557 6.285 -2.465 1.00 0.00 C ATOM 178 CD PRO A 8 105.095 7.603 -2.875 1.00 0.00 C ATOM 0 HA PRO A 8 107.109 5.448 -4.062 1.00 0.00 H new ATOM 0 HB2 PRO A 8 104.175 5.002 -4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.332 4.381 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.468 6.315 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 8 104.910 6.023 -1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.300 8.272 -3.205 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.606 8.099 -2.050 1.00 0.00 H new ATOM 186 N SER A 9 104.732 6.420 -5.907 1.00 0.00 N ATOM 187 CA SER A 9 104.049 6.484 -7.050 1.00 0.00 C ATOM 188 C SER A 9 104.947 6.951 -8.255 1.00 0.00 C ATOM 189 O SER A 9 104.613 6.672 -9.409 1.00 0.00 O ATOM 190 CB SER A 9 102.941 7.415 -6.743 1.00 0.00 C ATOM 191 OG SER A 9 102.157 6.913 -5.677 1.00 0.00 O ATOM 0 H SER A 9 104.414 7.118 -5.234 1.00 0.00 H new ATOM 0 HA SER A 9 103.680 5.513 -7.381 1.00 0.00 H new ATOM 0 HB2 SER A 9 103.342 8.393 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 9 102.318 7.554 -7.627 1.00 0.00 H new ATOM 0 HG SER A 9 101.429 7.540 -5.483 1.00 0.00 H new ATOM 197 N GLU A 10 106.082 7.686 -7.988 1.00 0.00 N ATOM 198 CA GLU A 10 107.013 8.027 -9.077 1.00 0.00 C ATOM 199 C GLU A 10 107.868 6.813 -9.350 1.00 0.00 C ATOM 200 O GLU A 10 108.302 6.578 -10.491 1.00 0.00 O ATOM 201 CB GLU A 10 107.902 9.269 -8.757 1.00 0.00 C ATOM 202 CG GLU A 10 108.929 9.077 -7.662 1.00 0.00 C ATOM 203 CD GLU A 10 109.551 10.365 -7.220 1.00 0.00 C ATOM 204 OE1 GLU A 10 110.026 11.146 -8.092 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.561 10.636 -5.982 1.00 0.00 O ATOM 0 H GLU A 10 106.348 8.031 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 10 106.432 8.303 -9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 10 108.421 9.566 -9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 10 107.250 10.097 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 10 108.456 8.595 -6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 10 109.710 8.404 -8.016 1.00 0.00 H new ATOM 212 N LEU A 11 108.101 6.037 -8.282 1.00 0.00 N ATOM 213 CA LEU A 11 108.817 4.786 -8.357 1.00 0.00 C ATOM 214 C LEU A 11 108.120 3.839 -9.294 1.00 0.00 C ATOM 215 O LEU A 11 106.890 3.705 -9.303 1.00 0.00 O ATOM 216 CB LEU A 11 109.017 4.190 -6.968 1.00 0.00 C ATOM 217 CG LEU A 11 109.871 5.037 -6.014 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.895 4.423 -4.643 1.00 0.00 C ATOM 219 CD2 LEU A 11 111.288 5.171 -6.540 1.00 0.00 C ATOM 0 H LEU A 11 107.789 6.275 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 11 109.811 4.971 -8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 11 108.039 4.032 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 11 109.481 3.210 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 11 109.423 6.029 -5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.505 5.037 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 11 108.879 4.366 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.318 3.420 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 11 111.877 5.775 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.737 4.182 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 11 111.269 5.653 -7.518 1.00 0.00 H new ATOM 231 N LYS A 12 108.917 3.253 -10.116 1.00 0.00 N ATOM 232 CA LYS A 12 108.471 2.406 -11.192 1.00 0.00 C ATOM 233 C LYS A 12 108.140 0.994 -10.763 1.00 0.00 C ATOM 234 O LYS A 12 108.513 0.543 -9.672 1.00 0.00 O ATOM 235 CB LYS A 12 109.509 2.359 -12.284 1.00 0.00 C ATOM 236 CG LYS A 12 110.843 1.939 -11.765 1.00 0.00 C ATOM 237 CD LYS A 12 111.770 1.558 -12.880 1.00 0.00 C ATOM 238 CE LYS A 12 113.158 1.222 -12.364 1.00 0.00 C ATOM 239 NZ LYS A 12 114.099 0.939 -13.463 1.00 0.00 N ATOM 0 H LYS A 12 109.932 3.346 -10.066 1.00 0.00 H new ATOM 0 HA LYS A 12 107.546 2.853 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 12 109.187 1.666 -13.061 1.00 0.00 H new ATOM 0 HB3 LYS A 12 109.593 3.342 -12.748 1.00 0.00 H new ATOM 0 HG2 LYS A 12 111.282 2.752 -11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 12 110.721 1.095 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 12 111.363 0.700 -13.415 1.00 0.00 H new ATOM 0 HD3 LYS A 12 111.836 2.378 -13.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 113.535 2.053 -11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 12 113.100 0.357 -11.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 115.035 0.714 -13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 113.753 0.130 -14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 114.174 1.773 -14.079 1.00 0.00 H new ATOM 253 N GLY A 13 107.517 0.294 -11.674 1.00 0.00 N ATOM 254 CA GLY A 13 107.085 -1.052 -11.455 1.00 0.00 C ATOM 255 C GLY A 13 105.679 -1.129 -10.910 1.00 0.00 C ATOM 256 O GLY A 13 104.712 -0.759 -11.586 1.00 0.00 O ATOM 0 H GLY A 13 107.294 0.653 -12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 13 107.138 -1.604 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.768 -1.540 -10.759 1.00 0.00 H new ATOM 260 N LYS A 14 105.581 -1.609 -9.702 1.00 0.00 N ATOM 261 CA LYS A 14 104.333 -1.809 -8.997 1.00 0.00 C ATOM 262 C LYS A 14 104.493 -1.438 -7.543 1.00 0.00 C ATOM 263 O LYS A 14 105.528 -1.673 -6.966 1.00 0.00 O ATOM 264 CB LYS A 14 103.824 -3.254 -9.123 1.00 0.00 C ATOM 265 CG LYS A 14 104.880 -4.340 -9.028 1.00 0.00 C ATOM 266 CD LYS A 14 105.430 -4.721 -10.404 1.00 0.00 C ATOM 267 CE LYS A 14 106.386 -5.907 -10.343 1.00 0.00 C ATOM 268 NZ LYS A 14 105.711 -7.171 -9.949 1.00 0.00 N ATOM 0 H LYS A 14 106.397 -1.884 -9.155 1.00 0.00 H new ATOM 0 HA LYS A 14 103.589 -1.160 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 14 103.082 -3.427 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.311 -3.356 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.697 -3.998 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.452 -5.222 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 14 104.601 -4.961 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 14 105.947 -3.864 -10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 14 106.856 -6.040 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 14 107.183 -5.689 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 106.368 -7.968 -10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 105.418 -7.112 -8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 104.874 -7.319 -10.548 1.00 0.00 H new ATOM 282 N PHE A 15 103.463 -0.927 -6.963 1.00 0.00 N ATOM 283 CA PHE A 15 103.490 -0.400 -5.634 1.00 0.00 C ATOM 284 C PHE A 15 102.625 -1.270 -4.750 1.00 0.00 C ATOM 285 O PHE A 15 101.408 -1.367 -4.950 1.00 0.00 O ATOM 286 CB PHE A 15 102.974 1.034 -5.702 1.00 0.00 C ATOM 287 CG PHE A 15 102.876 1.803 -4.417 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.674 1.512 -3.325 1.00 0.00 C ATOM 289 CD2 PHE A 15 101.993 2.855 -4.338 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.587 2.270 -2.168 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.889 3.614 -3.194 1.00 0.00 C ATOM 292 CZ PHE A 15 102.686 3.327 -2.106 1.00 0.00 C ATOM 0 H PHE A 15 102.549 -0.860 -7.410 1.00 0.00 H new ATOM 0 HA PHE A 15 104.495 -0.396 -5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.622 1.592 -6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.983 1.013 -6.156 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.370 0.688 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.370 3.090 -5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 15 104.215 2.041 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.185 4.432 -3.149 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.611 3.922 -1.208 1.00 0.00 H new ATOM 302 N ILE A 16 103.240 -1.883 -3.786 1.00 0.00 N ATOM 303 CA ILE A 16 102.597 -2.830 -2.910 1.00 0.00 C ATOM 304 C ILE A 16 102.900 -2.571 -1.476 1.00 0.00 C ATOM 305 O ILE A 16 103.887 -1.928 -1.140 1.00 0.00 O ATOM 306 CB ILE A 16 102.914 -4.315 -3.212 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.435 -4.614 -3.342 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.131 -4.807 -4.394 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.097 -4.178 -4.658 1.00 0.00 C ATOM 0 H ILE A 16 104.228 -1.739 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 16 101.537 -2.671 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 16 102.590 -4.882 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 16 104.953 -4.124 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.586 -5.687 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.374 -5.853 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 16 101.065 -4.714 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.384 -4.212 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.156 -4.437 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.616 -4.687 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 16 104.989 -3.100 -4.780 1.00 0.00 H new ATOM 321 N HIS A 17 102.016 -2.997 -0.644 1.00 0.00 N ATOM 322 CA HIS A 17 102.208 -2.894 0.756 1.00 0.00 C ATOM 323 C HIS A 17 102.023 -4.256 1.416 1.00 0.00 C ATOM 324 O HIS A 17 100.946 -4.851 1.375 1.00 0.00 O ATOM 325 CB HIS A 17 101.345 -1.771 1.355 1.00 0.00 C ATOM 326 CG HIS A 17 99.868 -1.836 1.065 1.00 0.00 C ATOM 327 ND1 HIS A 17 99.256 -1.066 0.112 1.00 0.00 N ATOM 328 CD2 HIS A 17 98.882 -2.561 1.643 1.00 0.00 C ATOM 329 CE1 HIS A 17 97.958 -1.328 0.135 1.00 0.00 C ATOM 330 NE2 HIS A 17 97.672 -2.231 1.049 1.00 0.00 N ATOM 0 H HIS A 17 101.134 -3.429 -0.919 1.00 0.00 H new ATOM 0 HA HIS A 17 103.236 -2.598 0.964 1.00 0.00 H new ATOM 0 HB2 HIS A 17 101.482 -1.775 2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 17 101.724 -0.817 0.989 1.00 0.00 H new ATOM 0 HD2 HIS A 17 99.015 -3.280 2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 17 97.229 -0.862 -0.512 1.00 0.00 H new ATOM 0 HE2 HIS A 17 96.752 -2.610 1.274 1.00 0.00 H new ATOM 338 N THR A 18 103.101 -4.776 1.929 1.00 0.00 N ATOM 339 CA THR A 18 103.113 -6.086 2.540 1.00 0.00 C ATOM 340 C THR A 18 103.572 -6.015 4.002 1.00 0.00 C ATOM 341 O THR A 18 104.513 -5.318 4.336 1.00 0.00 O ATOM 342 CB THR A 18 104.010 -7.064 1.715 1.00 0.00 C ATOM 343 OG1 THR A 18 104.055 -8.363 2.320 1.00 0.00 O ATOM 344 CG2 THR A 18 105.424 -6.531 1.558 1.00 0.00 C ATOM 0 H THR A 18 104.005 -4.305 1.938 1.00 0.00 H new ATOM 0 HA THR A 18 102.093 -6.471 2.537 1.00 0.00 H new ATOM 0 HB THR A 18 103.557 -7.146 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 18 104.840 -8.849 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 18 106.017 -7.239 0.979 1.00 0.00 H new ATOM 0 HG22 THR A 18 105.396 -5.572 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.875 -6.399 2.542 1.00 0.00 H new ATOM 352 N LYS A 19 102.902 -6.739 4.850 1.00 0.00 N ATOM 353 CA LYS A 19 103.208 -6.765 6.268 1.00 0.00 C ATOM 354 C LYS A 19 104.310 -7.781 6.533 1.00 0.00 C ATOM 355 O LYS A 19 104.282 -8.882 5.979 1.00 0.00 O ATOM 356 CB LYS A 19 101.906 -7.112 7.045 1.00 0.00 C ATOM 357 CG LYS A 19 101.951 -7.147 8.599 1.00 0.00 C ATOM 358 CD LYS A 19 102.715 -8.347 9.191 1.00 0.00 C ATOM 359 CE LYS A 19 102.447 -8.498 10.670 1.00 0.00 C ATOM 360 NZ LYS A 19 101.027 -8.766 10.962 1.00 0.00 N ATOM 0 H LYS A 19 102.119 -7.337 4.584 1.00 0.00 H new ATOM 0 HA LYS A 19 103.569 -5.794 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 19 101.144 -6.390 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.567 -8.089 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.412 -6.227 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.929 -7.160 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.421 -9.259 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.784 -8.217 9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 19 103.056 -9.311 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.756 -7.589 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.951 -9.598 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.609 -7.941 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.518 -8.948 10.073 1.00 0.00 H new ATOM 374 N LEU A 20 105.265 -7.410 7.361 1.00 0.00 N ATOM 375 CA LEU A 20 106.312 -8.304 7.780 1.00 0.00 C ATOM 376 C LEU A 20 106.297 -8.328 9.252 1.00 0.00 C ATOM 377 O LEU A 20 106.235 -7.257 9.907 1.00 0.00 O ATOM 378 CB LEU A 20 107.693 -7.861 7.290 1.00 0.00 C ATOM 379 CG LEU A 20 108.366 -8.727 6.227 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.469 -9.002 5.049 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.630 -8.064 5.774 1.00 0.00 C ATOM 0 H LEU A 20 105.332 -6.474 7.761 1.00 0.00 H new ATOM 0 HA LEU A 20 106.131 -9.290 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.603 -6.849 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.357 -7.808 8.153 1.00 0.00 H new ATOM 0 HG LEU A 20 108.590 -9.692 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.999 -9.621 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.574 -9.524 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 20 107.184 -8.060 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 20 110.112 -8.680 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.397 -7.086 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.302 -7.943 6.624 1.00 0.00 H new ATOM 393 N ARG A 21 106.269 -9.482 9.797 1.00 0.00 N ATOM 394 CA ARG A 21 106.293 -9.593 11.176 1.00 0.00 C ATOM 395 C ARG A 21 107.743 -9.604 11.637 1.00 0.00 C ATOM 396 O ARG A 21 108.493 -10.496 11.262 1.00 0.00 O ATOM 397 CB ARG A 21 105.571 -10.856 11.642 1.00 0.00 C ATOM 398 CG ARG A 21 105.452 -10.929 13.141 1.00 0.00 C ATOM 399 CD ARG A 21 104.690 -12.127 13.608 1.00 0.00 C ATOM 400 NE ARG A 21 104.500 -12.072 15.076 1.00 0.00 N ATOM 401 CZ ARG A 21 104.199 -13.106 15.870 1.00 0.00 C ATOM 402 NH1 ARG A 21 103.985 -14.311 15.352 1.00 0.00 N ATOM 403 NH2 ARG A 21 104.098 -12.918 17.189 1.00 0.00 N ATOM 0 H ARG A 21 106.229 -10.366 9.290 1.00 0.00 H new ATOM 0 HA ARG A 21 105.771 -8.743 11.614 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.575 -10.886 11.199 1.00 0.00 H new ATOM 0 HB3 ARG A 21 106.108 -11.733 11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.450 -10.947 13.579 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.960 -10.027 13.505 1.00 0.00 H new ATOM 0 HD2 ARG A 21 103.721 -12.168 13.110 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.226 -13.036 13.337 1.00 0.00 H new ATOM 0 HE ARG A 21 104.609 -11.162 15.523 1.00 0.00 H new ATOM 0 HH11 ARG A 21 104.050 -14.452 14.344 1.00 0.00 H new ATOM 0 HH12 ARG A 21 103.756 -15.095 15.963 1.00 0.00 H new ATOM 0 HH21 ARG A 21 104.250 -11.990 17.585 1.00 0.00 H new ATOM 0 HH22 ARG A 21 103.869 -13.702 17.800 1.00 0.00 H new ATOM 417 N LYS A 22 108.133 -8.540 12.341 1.00 0.00 N ATOM 418 CA LYS A 22 109.408 -8.403 13.007 1.00 0.00 C ATOM 419 C LYS A 22 109.867 -9.689 13.572 1.00 0.00 C ATOM 420 O LYS A 22 109.259 -10.191 14.538 1.00 0.00 O ATOM 421 CB LYS A 22 109.258 -7.492 14.187 1.00 0.00 C ATOM 422 CG LYS A 22 109.238 -6.025 13.936 1.00 0.00 C ATOM 423 CD LYS A 22 108.168 -5.538 13.076 1.00 0.00 C ATOM 424 CE LYS A 22 107.784 -4.122 13.452 1.00 0.00 C ATOM 425 NZ LYS A 22 108.866 -3.140 13.294 1.00 0.00 N ATOM 0 H LYS A 22 107.536 -7.722 12.461 1.00 0.00 H new ATOM 0 HA LYS A 22 110.112 -8.029 12.264 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.332 -7.756 14.698 1.00 0.00 H new ATOM 0 HB3 LYS A 22 110.075 -7.702 14.878 1.00 0.00 H new ATOM 0 HG2 LYS A 22 109.167 -5.513 14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 22 110.192 -5.739 13.493 1.00 0.00 H new ATOM 0 HD2 LYS A 22 108.489 -5.569 12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 22 107.299 -6.191 13.162 1.00 0.00 H new ATOM 0 HE2 LYS A 22 106.937 -3.813 12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 107.449 -4.112 14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 108.467 -2.179 13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 109.544 -3.242 14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 109.353 -3.303 12.390 1.00 0.00 H new ATOM 439 N SER A 23 110.901 -10.200 12.989 1.00 0.00 N ATOM 440 CA SER A 23 111.519 -11.400 13.414 1.00 0.00 C ATOM 441 C SER A 23 112.605 -11.039 14.478 1.00 0.00 C ATOM 442 O SER A 23 112.374 -10.128 15.289 1.00 0.00 O ATOM 443 CB SER A 23 112.082 -12.115 12.168 1.00 0.00 C ATOM 444 OG SER A 23 112.522 -13.429 12.469 1.00 0.00 O ATOM 0 H SER A 23 111.349 -9.775 12.177 1.00 0.00 H new ATOM 0 HA SER A 23 110.822 -12.089 13.892 1.00 0.00 H new ATOM 0 HB2 SER A 23 111.315 -12.157 11.395 1.00 0.00 H new ATOM 0 HB3 SER A 23 112.913 -11.538 11.762 1.00 0.00 H new ATOM 0 HG SER A 23 112.870 -13.852 11.656 1.00 0.00 H new ATOM 450 N SER A 24 113.736 -11.729 14.490 1.00 0.00 N ATOM 451 CA SER A 24 114.816 -11.535 15.469 1.00 0.00 C ATOM 452 C SER A 24 115.411 -10.085 15.491 1.00 0.00 C ATOM 453 O SER A 24 116.455 -9.816 14.897 1.00 0.00 O ATOM 454 CB SER A 24 115.907 -12.551 15.172 1.00 0.00 C ATOM 455 OG SER A 24 115.337 -13.845 15.037 1.00 0.00 O ATOM 0 H SER A 24 113.941 -12.458 13.807 1.00 0.00 H new ATOM 0 HA SER A 24 114.391 -11.681 16.462 1.00 0.00 H new ATOM 0 HB2 SER A 24 116.432 -12.278 14.256 1.00 0.00 H new ATOM 0 HB3 SER A 24 116.645 -12.551 15.974 1.00 0.00 H new ATOM 0 HG SER A 24 116.044 -14.495 14.844 1.00 0.00 H new ATOM 461 N ARG A 25 114.688 -9.172 16.156 1.00 0.00 N ATOM 462 CA ARG A 25 115.080 -7.800 16.391 1.00 0.00 C ATOM 463 C ARG A 25 115.358 -7.065 15.131 1.00 0.00 C ATOM 464 O ARG A 25 116.302 -6.290 15.018 1.00 0.00 O ATOM 465 CB ARG A 25 116.182 -7.713 17.376 1.00 0.00 C ATOM 466 CG ARG A 25 115.651 -8.094 18.716 1.00 0.00 C ATOM 467 CD ARG A 25 116.691 -8.077 19.720 1.00 0.00 C ATOM 468 NE ARG A 25 117.176 -6.728 20.012 1.00 0.00 N ATOM 469 CZ ARG A 25 118.194 -6.420 20.824 1.00 0.00 C ATOM 470 NH1 ARG A 25 118.863 -7.381 21.460 1.00 0.00 N ATOM 471 NH2 ARG A 25 118.516 -5.141 21.022 1.00 0.00 N ATOM 0 H ARG A 25 113.776 -9.393 16.557 1.00 0.00 H new ATOM 0 HA ARG A 25 114.227 -7.290 16.838 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.999 -8.376 17.090 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.587 -6.701 17.403 1.00 0.00 H new ATOM 0 HG2 ARG A 25 114.855 -7.406 19.003 1.00 0.00 H new ATOM 0 HG3 ARG A 25 115.209 -9.089 18.664 1.00 0.00 H new ATOM 0 HD2 ARG A 25 116.312 -8.528 20.637 1.00 0.00 H new ATOM 0 HD3 ARG A 25 117.525 -8.693 19.383 1.00 0.00 H new ATOM 0 HE ARG A 25 116.695 -5.953 19.556 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.600 -8.358 21.329 1.00 0.00 H new ATOM 0 HH12 ARG A 25 119.638 -7.140 22.078 1.00 0.00 H new ATOM 0 HH21 ARG A 25 117.987 -4.404 20.556 1.00 0.00 H new ATOM 0 HH22 ARG A 25 119.291 -4.900 21.640 1.00 0.00 H new ATOM 485 N GLY A 26 114.523 -7.338 14.179 1.00 0.00 N ATOM 486 CA GLY A 26 114.626 -6.776 12.894 1.00 0.00 C ATOM 487 C GLY A 26 113.757 -7.535 11.966 1.00 0.00 C ATOM 488 O GLY A 26 112.593 -7.829 12.291 1.00 0.00 O ATOM 0 H GLY A 26 113.735 -7.976 14.289 1.00 0.00 H new ATOM 0 HA2 GLY A 26 114.328 -5.728 12.916 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.660 -6.806 12.551 1.00 0.00 H new ATOM 492 N PHE A 27 114.293 -7.917 10.860 1.00 0.00 N ATOM 493 CA PHE A 27 113.531 -8.551 9.844 1.00 0.00 C ATOM 494 C PHE A 27 114.215 -9.770 9.268 1.00 0.00 C ATOM 495 O PHE A 27 113.894 -10.893 9.651 1.00 0.00 O ATOM 496 CB PHE A 27 113.215 -7.527 8.768 1.00 0.00 C ATOM 497 CG PHE A 27 112.184 -6.561 9.191 1.00 0.00 C ATOM 498 CD1 PHE A 27 110.854 -6.932 9.340 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.557 -5.297 9.527 1.00 0.00 C ATOM 500 CE1 PHE A 27 109.934 -6.021 9.810 1.00 0.00 C ATOM 501 CE2 PHE A 27 111.659 -4.419 10.003 1.00 0.00 C ATOM 502 CZ PHE A 27 110.355 -4.769 10.146 1.00 0.00 C ATOM 0 H PHE A 27 115.280 -7.797 10.634 1.00 0.00 H new ATOM 0 HA PHE A 27 112.607 -8.923 10.286 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.126 -6.989 8.505 1.00 0.00 H new ATOM 0 HB3 PHE A 27 112.878 -8.042 7.869 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.541 -7.934 9.087 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.587 -4.996 9.410 1.00 0.00 H new ATOM 0 HE1 PHE A 27 108.894 -6.295 9.911 1.00 0.00 H new ATOM 0 HE2 PHE A 27 111.978 -3.424 10.275 1.00 0.00 H new ATOM 0 HZ PHE A 27 109.646 -4.050 10.529 1.00 0.00 H new ATOM 512 N GLY A 28 115.198 -9.571 8.450 1.00 0.00 N ATOM 513 CA GLY A 28 115.740 -10.671 7.685 1.00 0.00 C ATOM 514 C GLY A 28 115.786 -10.367 6.187 1.00 0.00 C ATOM 515 O GLY A 28 115.352 -11.166 5.356 1.00 0.00 O ATOM 0 H GLY A 28 115.646 -8.669 8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.746 -10.896 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.135 -11.562 7.855 1.00 0.00 H new ATOM 519 N PHE A 29 116.265 -9.210 5.858 1.00 0.00 N ATOM 520 CA PHE A 29 116.535 -8.806 4.502 1.00 0.00 C ATOM 521 C PHE A 29 117.525 -7.670 4.581 1.00 0.00 C ATOM 522 O PHE A 29 117.476 -6.878 5.501 1.00 0.00 O ATOM 523 CB PHE A 29 115.247 -8.435 3.704 1.00 0.00 C ATOM 524 CG PHE A 29 114.431 -7.295 4.241 1.00 0.00 C ATOM 525 CD1 PHE A 29 114.758 -6.008 3.925 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.322 -7.518 5.028 1.00 0.00 C ATOM 527 CE1 PHE A 29 114.001 -4.943 4.381 1.00 0.00 C ATOM 528 CE2 PHE A 29 112.565 -6.459 5.493 1.00 0.00 C ATOM 529 CZ PHE A 29 112.904 -5.171 5.167 1.00 0.00 C ATOM 0 H PHE A 29 116.489 -8.490 6.545 1.00 0.00 H new ATOM 0 HA PHE A 29 116.954 -9.639 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.537 -8.195 2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 29 114.609 -9.318 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 29 115.623 -5.817 3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 29 113.042 -8.529 5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 29 114.276 -3.933 4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 29 111.703 -6.647 6.116 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.311 -4.344 5.527 1.00 0.00 H new ATOM 539 N THR A 30 118.436 -7.601 3.697 1.00 0.00 N ATOM 540 CA THR A 30 119.417 -6.584 3.790 1.00 0.00 C ATOM 541 C THR A 30 119.177 -5.562 2.710 1.00 0.00 C ATOM 542 O THR A 30 118.865 -5.909 1.551 1.00 0.00 O ATOM 543 CB THR A 30 120.836 -7.182 3.768 1.00 0.00 C ATOM 544 OG1 THR A 30 121.056 -7.921 2.564 1.00 0.00 O ATOM 545 CG2 THR A 30 120.989 -8.126 4.949 1.00 0.00 C ATOM 0 H THR A 30 118.530 -8.231 2.900 1.00 0.00 H new ATOM 0 HA THR A 30 119.334 -6.070 4.748 1.00 0.00 H new ATOM 0 HB THR A 30 121.559 -6.369 3.823 1.00 0.00 H new ATOM 0 HG1 THR A 30 121.896 -8.421 2.636 1.00 0.00 H new ATOM 0 HG21 THR A 30 121.991 -8.556 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 30 120.835 -7.576 5.877 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.251 -8.925 4.874 1.00 0.00 H new ATOM 553 N VAL A 31 119.272 -4.323 3.067 1.00 0.00 N ATOM 554 CA VAL A 31 118.890 -3.279 2.174 1.00 0.00 C ATOM 555 C VAL A 31 120.104 -2.418 1.774 1.00 0.00 C ATOM 556 O VAL A 31 121.170 -2.501 2.414 1.00 0.00 O ATOM 557 CB VAL A 31 117.733 -2.401 2.812 1.00 0.00 C ATOM 558 CG1 VAL A 31 117.033 -3.075 3.984 1.00 0.00 C ATOM 559 CG2 VAL A 31 118.155 -1.009 3.155 1.00 0.00 C ATOM 0 H VAL A 31 119.613 -4.008 3.975 1.00 0.00 H new ATOM 0 HA VAL A 31 118.502 -3.730 1.261 1.00 0.00 H new ATOM 0 HB VAL A 31 116.995 -2.315 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 31 116.254 -2.417 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 31 116.585 -4.011 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 31 117.758 -3.280 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 31 117.312 -0.469 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 31 118.971 -1.044 3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 31 118.490 -0.498 2.253 1.00 0.00 H new ATOM 569 N VAL A 32 119.941 -1.662 0.688 1.00 0.00 N ATOM 570 CA VAL A 32 120.908 -0.710 0.203 1.00 0.00 C ATOM 571 C VAL A 32 120.286 0.657 0.048 1.00 0.00 C ATOM 572 O VAL A 32 119.187 0.791 -0.463 1.00 0.00 O ATOM 573 CB VAL A 32 121.598 -1.126 -1.128 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.557 -2.252 -0.893 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.579 -1.514 -2.197 1.00 0.00 C ATOM 0 H VAL A 32 119.101 -1.706 0.112 1.00 0.00 H new ATOM 0 HA VAL A 32 121.689 -0.682 0.962 1.00 0.00 H new ATOM 0 HB VAL A 32 122.150 -0.260 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 32 123.030 -2.530 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.321 -1.937 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 32 122.019 -3.110 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 32 121.101 -1.798 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 32 119.983 -2.355 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 32 119.925 -0.666 -2.401 1.00 0.00 H new ATOM 585 N GLY A 33 120.965 1.648 0.532 1.00 0.00 N ATOM 586 CA GLY A 33 120.524 2.993 0.359 1.00 0.00 C ATOM 587 C GLY A 33 120.170 3.672 1.652 1.00 0.00 C ATOM 588 O GLY A 33 120.973 3.643 2.636 1.00 0.00 O ATOM 0 H GLY A 33 121.835 1.548 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 33 121.307 3.564 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.654 3.002 -0.298 1.00 0.00 H new ATOM 592 N GLY A 34 118.981 4.308 1.611 1.00 0.00 N ATOM 593 CA GLY A 34 118.369 5.079 2.704 1.00 0.00 C ATOM 594 C GLY A 34 119.324 5.952 3.377 1.00 0.00 C ATOM 595 O GLY A 34 119.366 6.036 4.570 1.00 0.00 O ATOM 0 H GLY A 34 118.397 4.295 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.551 5.680 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.936 4.392 3.431 1.00 0.00 H new ATOM 599 N ASP A 35 120.079 6.614 2.612 1.00 0.00 N ATOM 600 CA ASP A 35 121.134 7.393 3.138 1.00 0.00 C ATOM 601 C ASP A 35 120.707 8.792 3.316 1.00 0.00 C ATOM 602 O ASP A 35 121.232 9.521 4.167 1.00 0.00 O ATOM 603 CB ASP A 35 122.307 7.299 2.199 1.00 0.00 C ATOM 604 CG ASP A 35 123.594 7.877 2.794 1.00 0.00 C ATOM 605 OD1 ASP A 35 124.273 7.192 3.578 1.00 0.00 O ATOM 606 OD2 ASP A 35 123.963 9.027 2.458 1.00 0.00 O ATOM 0 H ASP A 35 119.992 6.639 1.596 1.00 0.00 H new ATOM 0 HA ASP A 35 121.423 7.017 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.472 6.254 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 35 122.070 7.828 1.276 1.00 0.00 H new ATOM 611 N GLU A 36 119.700 9.162 2.592 1.00 0.00 N ATOM 612 CA GLU A 36 119.364 10.531 2.495 1.00 0.00 C ATOM 613 C GLU A 36 117.947 10.682 2.109 1.00 0.00 C ATOM 614 O GLU A 36 117.316 9.707 1.789 1.00 0.00 O ATOM 615 CB GLU A 36 120.349 11.153 1.486 1.00 0.00 C ATOM 616 CG GLU A 36 120.563 10.268 0.291 1.00 0.00 C ATOM 617 CD GLU A 36 121.616 10.767 -0.651 1.00 0.00 C ATOM 618 OE1 GLU A 36 121.602 11.947 -1.002 1.00 0.00 O ATOM 619 OE2 GLU A 36 122.503 9.972 -1.061 1.00 0.00 O ATOM 0 H GLU A 36 119.101 8.529 2.062 1.00 0.00 H new ATOM 0 HA GLU A 36 119.457 11.052 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.969 12.120 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 36 121.304 11.336 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 36 120.839 9.271 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 36 119.622 10.170 -0.250 1.00 0.00 H new ATOM 626 N PRO A 37 117.403 11.869 2.135 1.00 0.00 N ATOM 627 CA PRO A 37 116.015 12.087 1.754 1.00 0.00 C ATOM 628 C PRO A 37 115.868 11.741 0.305 1.00 0.00 C ATOM 629 O PRO A 37 114.912 11.099 -0.118 1.00 0.00 O ATOM 630 CB PRO A 37 115.865 13.584 1.986 1.00 0.00 C ATOM 631 CG PRO A 37 116.899 13.887 2.996 1.00 0.00 C ATOM 632 CD PRO A 37 118.050 13.118 2.509 1.00 0.00 C ATOM 0 HA PRO A 37 115.275 11.498 2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 37 116.024 14.149 1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.867 13.835 2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 37 117.116 14.954 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.595 13.575 3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.541 13.599 1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.808 12.976 3.279 1.00 0.00 H new ATOM 640 N ASP A 38 116.913 12.071 -0.393 1.00 0.00 N ATOM 641 CA ASP A 38 117.060 11.868 -1.788 1.00 0.00 C ATOM 642 C ASP A 38 117.166 10.374 -2.145 1.00 0.00 C ATOM 643 O ASP A 38 116.769 9.952 -3.245 1.00 0.00 O ATOM 644 CB ASP A 38 118.286 12.643 -2.250 1.00 0.00 C ATOM 645 CG ASP A 38 118.684 12.357 -3.680 1.00 0.00 C ATOM 646 OD1 ASP A 38 118.056 12.895 -4.595 1.00 0.00 O ATOM 647 OD2 ASP A 38 119.652 11.597 -3.911 1.00 0.00 O ATOM 0 H ASP A 38 117.729 12.515 0.029 1.00 0.00 H new ATOM 0 HA ASP A 38 116.173 12.234 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 38 118.092 13.710 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 38 119.124 12.404 -1.595 1.00 0.00 H new ATOM 652 N GLU A 39 117.653 9.568 -1.224 1.00 0.00 N ATOM 653 CA GLU A 39 117.780 8.175 -1.504 1.00 0.00 C ATOM 654 C GLU A 39 117.080 7.340 -0.464 1.00 0.00 C ATOM 655 O GLU A 39 117.501 7.297 0.730 1.00 0.00 O ATOM 656 CB GLU A 39 119.244 7.749 -1.672 1.00 0.00 C ATOM 657 CG GLU A 39 119.413 6.272 -1.964 1.00 0.00 C ATOM 658 CD GLU A 39 120.820 5.886 -2.284 1.00 0.00 C ATOM 659 OE1 GLU A 39 121.612 5.613 -1.366 1.00 0.00 O ATOM 660 OE2 GLU A 39 121.162 5.804 -3.481 1.00 0.00 O ATOM 0 H GLU A 39 117.959 9.857 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 39 117.287 7.997 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 39 119.691 8.325 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.793 7.997 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 39 119.074 5.698 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 39 118.770 5.999 -2.801 1.00 0.00 H new ATOM 667 N PHE A 40 116.083 6.617 -0.986 1.00 0.00 N ATOM 668 CA PHE A 40 115.174 5.701 -0.282 1.00 0.00 C ATOM 669 C PHE A 40 115.851 4.362 -0.166 1.00 0.00 C ATOM 670 O PHE A 40 116.866 4.116 -0.846 1.00 0.00 O ATOM 671 CB PHE A 40 113.868 5.521 -1.072 1.00 0.00 C ATOM 672 CG PHE A 40 113.236 6.793 -1.581 1.00 0.00 C ATOM 673 CD1 PHE A 40 112.985 7.858 -0.735 1.00 0.00 C ATOM 674 CD2 PHE A 40 112.878 6.906 -2.916 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.394 9.011 -1.211 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.287 8.056 -3.397 1.00 0.00 C ATOM 677 CZ PHE A 40 112.044 9.108 -2.543 1.00 0.00 C ATOM 0 H PHE A 40 115.874 6.659 -1.983 1.00 0.00 H new ATOM 0 HA PHE A 40 114.940 6.112 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.065 4.868 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.147 5.007 -0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.254 7.787 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.065 6.082 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 40 112.205 9.837 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.016 8.131 -4.440 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.580 10.009 -2.915 1.00 0.00 H new ATOM 687 N LEU A 41 115.333 3.494 0.687 1.00 0.00 N ATOM 688 CA LEU A 41 116.022 2.246 0.927 1.00 0.00 C ATOM 689 C LEU A 41 115.588 1.251 -0.106 1.00 0.00 C ATOM 690 O LEU A 41 114.490 1.299 -0.535 1.00 0.00 O ATOM 691 CB LEU A 41 115.790 1.677 2.335 1.00 0.00 C ATOM 692 CG LEU A 41 116.225 2.506 3.549 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.332 3.731 3.813 1.00 0.00 C ATOM 694 CD2 LEU A 41 116.319 1.637 4.774 1.00 0.00 C ATOM 0 H LEU A 41 114.466 3.626 1.208 1.00 0.00 H new ATOM 0 HA LEU A 41 117.091 2.445 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.724 1.476 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.302 0.716 2.391 1.00 0.00 H new ATOM 0 HG LEU A 41 117.212 2.903 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.701 4.269 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.353 4.391 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.308 3.403 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.629 2.242 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 41 115.346 1.192 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 41 117.051 0.847 4.604 1.00 0.00 H new ATOM 706 N GLN A 42 116.453 0.411 -0.540 1.00 0.00 N ATOM 707 CA GLN A 42 116.135 -0.573 -1.547 1.00 0.00 C ATOM 708 C GLN A 42 116.597 -1.905 -0.990 1.00 0.00 C ATOM 709 O GLN A 42 117.341 -1.923 -0.063 1.00 0.00 O ATOM 710 CB GLN A 42 116.926 -0.184 -2.790 1.00 0.00 C ATOM 711 CG GLN A 42 116.345 -0.584 -4.144 1.00 0.00 C ATOM 712 CD GLN A 42 116.489 -2.033 -4.520 1.00 0.00 C ATOM 713 OE1 GLN A 42 115.650 -2.852 -4.213 1.00 0.00 O ATOM 714 NE2 GLN A 42 117.529 -2.349 -5.224 1.00 0.00 N ATOM 0 H GLN A 42 117.418 0.374 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 42 115.076 -0.632 -1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 42 117.053 0.899 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.921 -0.622 -2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 42 115.285 -0.331 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 42 116.823 0.020 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 42 118.217 -1.636 -5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.660 -3.311 -5.537 1.00 0.00 H new ATOM 723 N ILE A 43 116.177 -2.984 -1.541 1.00 0.00 N ATOM 724 CA ILE A 43 116.515 -4.303 -0.977 1.00 0.00 C ATOM 725 C ILE A 43 117.534 -5.012 -1.835 1.00 0.00 C ATOM 726 O ILE A 43 117.288 -5.245 -3.019 1.00 0.00 O ATOM 727 CB ILE A 43 115.275 -5.225 -0.832 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.158 -4.499 -0.100 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.630 -6.547 -0.114 1.00 0.00 C ATOM 730 CD1 ILE A 43 114.558 -3.922 1.225 1.00 0.00 C ATOM 0 H ILE A 43 115.598 -3.014 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 43 116.923 -4.108 0.015 1.00 0.00 H new ATOM 0 HB ILE A 43 114.930 -5.479 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.786 -3.695 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.331 -5.192 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.737 -7.167 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.389 -7.080 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.014 -6.328 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 43 113.702 -3.422 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.901 -4.722 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 43 115.363 -3.202 1.080 1.00 0.00 H new ATOM 742 N LYS A 44 118.657 -5.394 -1.230 1.00 0.00 N ATOM 743 CA LYS A 44 119.710 -6.071 -1.966 1.00 0.00 C ATOM 744 C LYS A 44 119.692 -7.559 -1.734 1.00 0.00 C ATOM 745 O LYS A 44 120.164 -8.325 -2.572 1.00 0.00 O ATOM 746 CB LYS A 44 121.106 -5.529 -1.665 1.00 0.00 C ATOM 747 CG LYS A 44 121.558 -5.713 -0.227 1.00 0.00 C ATOM 748 CD LYS A 44 123.066 -5.629 -0.101 1.00 0.00 C ATOM 749 CE LYS A 44 123.495 -5.766 1.339 1.00 0.00 C ATOM 750 NZ LYS A 44 123.139 -4.582 2.147 1.00 0.00 N ATOM 0 H LYS A 44 118.856 -5.246 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 44 119.494 -5.867 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 44 121.822 -6.021 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.129 -4.466 -1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 44 121.097 -4.950 0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 44 121.215 -6.679 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 44 123.529 -6.414 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 44 123.416 -4.677 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 44 123.029 -6.651 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 44 124.573 -5.921 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 123.393 -4.751 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 123.657 -3.752 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 122.116 -4.408 2.076 1.00 0.00 H new ATOM 764 N SER A 45 119.198 -7.998 -0.618 1.00 0.00 N ATOM 765 CA SER A 45 119.129 -9.407 -0.399 1.00 0.00 C ATOM 766 C SER A 45 117.978 -9.772 0.477 1.00 0.00 C ATOM 767 O SER A 45 117.798 -9.214 1.549 1.00 0.00 O ATOM 768 CB SER A 45 120.432 -9.939 0.225 1.00 0.00 C ATOM 769 OG SER A 45 121.564 -9.640 -0.589 1.00 0.00 O ATOM 0 H SER A 45 118.844 -7.415 0.140 1.00 0.00 H new ATOM 0 HA SER A 45 118.986 -9.869 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.568 -9.501 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.356 -11.018 0.362 1.00 0.00 H new ATOM 0 HG SER A 45 122.374 -9.990 -0.164 1.00 0.00 H new ATOM 775 N LEU A 46 117.199 -10.667 -0.001 1.00 0.00 N ATOM 776 CA LEU A 46 116.228 -11.304 0.749 1.00 0.00 C ATOM 777 C LEU A 46 116.947 -12.345 1.574 1.00 0.00 C ATOM 778 O LEU A 46 117.545 -13.276 1.018 1.00 0.00 O ATOM 779 CB LEU A 46 115.231 -11.956 -0.196 1.00 0.00 C ATOM 780 CG LEU A 46 114.296 -12.990 0.402 1.00 0.00 C ATOM 781 CD1 LEU A 46 113.563 -12.411 1.566 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.325 -13.474 -0.642 1.00 0.00 C ATOM 0 H LEU A 46 117.236 -10.978 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 46 115.681 -10.617 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 46 114.625 -11.169 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 46 115.789 -12.429 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 46 114.885 -13.838 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 46 112.895 -13.163 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.278 -12.095 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 46 112.980 -11.551 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 46 112.658 -14.216 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 46 112.739 -12.633 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.874 -13.924 -1.469 1.00 0.00 H new ATOM 794 N VAL A 47 116.964 -12.162 2.858 1.00 0.00 N ATOM 795 CA VAL A 47 117.617 -13.078 3.709 1.00 0.00 C ATOM 796 C VAL A 47 116.642 -14.171 4.055 1.00 0.00 C ATOM 797 O VAL A 47 115.534 -13.916 4.549 1.00 0.00 O ATOM 798 CB VAL A 47 118.160 -12.388 4.982 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.804 -13.389 5.911 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.155 -11.300 4.613 1.00 0.00 C ATOM 0 H VAL A 47 116.525 -11.374 3.334 1.00 0.00 H new ATOM 0 HA VAL A 47 118.482 -13.499 3.197 1.00 0.00 H new ATOM 0 HB VAL A 47 117.317 -11.934 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.177 -12.876 6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 47 118.068 -14.136 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.633 -13.879 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.527 -10.825 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 47 119.989 -11.740 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.664 -10.554 3.988 1.00 0.00 H new ATOM 810 N LEU A 48 117.013 -15.363 3.731 1.00 0.00 N ATOM 811 CA LEU A 48 116.182 -16.497 3.978 1.00 0.00 C ATOM 812 C LEU A 48 116.051 -16.735 5.450 1.00 0.00 C ATOM 813 O LEU A 48 117.008 -16.489 6.215 1.00 0.00 O ATOM 814 CB LEU A 48 116.688 -17.692 3.208 1.00 0.00 C ATOM 815 CG LEU A 48 116.757 -17.464 1.691 1.00 0.00 C ATOM 816 CD1 LEU A 48 117.283 -18.690 0.978 1.00 0.00 C ATOM 817 CD2 LEU A 48 115.390 -17.043 1.126 1.00 0.00 C ATOM 0 H LEU A 48 117.904 -15.582 3.286 1.00 0.00 H new ATOM 0 HA LEU A 48 115.173 -16.307 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 48 117.681 -17.954 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 48 116.039 -18.544 3.409 1.00 0.00 H new ATOM 0 HG LEU A 48 117.456 -16.647 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 48 117.321 -18.499 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 48 118.285 -18.920 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 48 116.623 -19.535 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 48 115.473 -16.889 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 48 114.657 -17.825 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.070 -16.116 1.601 1.00 0.00 H new ATOM 829 N ASP A 49 114.837 -17.150 5.842 1.00 0.00 N ATOM 830 CA ASP A 49 114.411 -17.297 7.240 1.00 0.00 C ATOM 831 C ASP A 49 113.957 -15.930 7.788 1.00 0.00 C ATOM 832 O ASP A 49 113.629 -15.768 8.948 1.00 0.00 O ATOM 833 CB ASP A 49 115.483 -18.009 8.098 1.00 0.00 C ATOM 834 CG ASP A 49 115.114 -18.197 9.564 1.00 0.00 C ATOM 835 OD1 ASP A 49 114.193 -18.977 9.878 1.00 0.00 O ATOM 836 OD2 ASP A 49 115.749 -17.555 10.435 1.00 0.00 O ATOM 0 H ASP A 49 114.105 -17.399 5.176 1.00 0.00 H new ATOM 0 HA ASP A 49 113.546 -17.959 7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.685 -18.987 7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.410 -17.438 8.043 1.00 0.00 H new ATOM 841 N GLY A 50 113.920 -14.962 6.892 1.00 0.00 N ATOM 842 CA GLY A 50 113.411 -13.639 7.178 1.00 0.00 C ATOM 843 C GLY A 50 111.936 -13.585 6.917 1.00 0.00 C ATOM 844 O GLY A 50 111.463 -14.395 6.159 1.00 0.00 O ATOM 0 H GLY A 50 114.248 -15.077 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.614 -13.380 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 50 113.924 -12.902 6.560 1.00 0.00 H new ATOM 848 N PRO A 51 111.177 -12.564 7.377 1.00 0.00 N ATOM 849 CA PRO A 51 109.740 -12.621 7.290 1.00 0.00 C ATOM 850 C PRO A 51 109.282 -12.440 5.841 1.00 0.00 C ATOM 851 O PRO A 51 108.263 -12.943 5.440 1.00 0.00 O ATOM 852 CB PRO A 51 109.263 -11.543 8.284 1.00 0.00 C ATOM 853 CG PRO A 51 110.418 -10.615 8.485 1.00 0.00 C ATOM 854 CD PRO A 51 111.619 -11.213 7.785 1.00 0.00 C ATOM 0 HA PRO A 51 109.304 -13.582 7.561 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.398 -11.008 7.891 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.957 -11.993 9.228 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.191 -9.629 8.079 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.622 -10.483 9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.914 -10.615 6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.482 -11.262 8.449 1.00 0.00 H new ATOM 862 N ALA A 52 110.115 -11.770 5.056 1.00 0.00 N ATOM 863 CA ALA A 52 109.888 -11.582 3.631 1.00 0.00 C ATOM 864 C ALA A 52 110.030 -12.917 2.902 1.00 0.00 C ATOM 865 O ALA A 52 109.305 -13.214 1.970 1.00 0.00 O ATOM 866 CB ALA A 52 110.908 -10.605 3.091 1.00 0.00 C ATOM 0 H ALA A 52 110.975 -11.338 5.394 1.00 0.00 H new ATOM 0 HA ALA A 52 108.882 -11.193 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 52 110.743 -10.460 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 52 110.806 -9.650 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 52 111.911 -11.000 3.253 1.00 0.00 H new ATOM 872 N ALA A 53 110.967 -13.714 3.358 1.00 0.00 N ATOM 873 CA ALA A 53 111.240 -15.018 2.783 1.00 0.00 C ATOM 874 C ALA A 53 110.103 -15.944 3.095 1.00 0.00 C ATOM 875 O ALA A 53 109.554 -16.635 2.241 1.00 0.00 O ATOM 876 CB ALA A 53 112.519 -15.574 3.405 1.00 0.00 C ATOM 0 H ALA A 53 111.569 -13.477 4.146 1.00 0.00 H new ATOM 0 HA ALA A 53 111.356 -14.929 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 53 112.734 -16.554 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.349 -14.898 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.389 -15.667 4.483 1.00 0.00 H new ATOM 882 N LEU A 54 109.748 -15.888 4.319 1.00 0.00 N ATOM 883 CA LEU A 54 108.810 -16.732 4.925 1.00 0.00 C ATOM 884 C LEU A 54 107.400 -16.476 4.526 1.00 0.00 C ATOM 885 O LEU A 54 106.661 -17.401 4.210 1.00 0.00 O ATOM 886 CB LEU A 54 109.027 -16.595 6.329 1.00 0.00 C ATOM 887 CG LEU A 54 110.451 -16.979 6.671 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.581 -16.848 8.036 1.00 0.00 C ATOM 889 CD2 LEU A 54 110.802 -18.400 6.228 1.00 0.00 C ATOM 0 H LEU A 54 110.136 -15.201 4.965 1.00 0.00 H new ATOM 0 HA LEU A 54 108.958 -17.759 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 54 108.835 -15.567 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.329 -17.228 6.877 1.00 0.00 H new ATOM 0 HG LEU A 54 111.143 -16.328 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.595 -17.115 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.379 -15.816 8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.872 -17.509 8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.834 -18.621 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.138 -19.109 6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.684 -18.484 5.148 1.00 0.00 H new ATOM 901 N ASP A 55 107.020 -15.223 4.525 1.00 0.00 N ATOM 902 CA ASP A 55 105.692 -14.840 4.091 1.00 0.00 C ATOM 903 C ASP A 55 105.649 -14.920 2.597 1.00 0.00 C ATOM 904 O ASP A 55 104.619 -15.223 1.987 1.00 0.00 O ATOM 905 CB ASP A 55 105.378 -13.406 4.523 1.00 0.00 C ATOM 906 CG ASP A 55 103.943 -13.001 4.279 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.062 -13.398 5.062 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.661 -12.253 3.327 1.00 0.00 O ATOM 0 H ASP A 55 107.611 -14.446 4.820 1.00 0.00 H new ATOM 0 HA ASP A 55 104.956 -15.507 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.602 -13.298 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 55 106.036 -12.722 3.987 1.00 0.00 H new ATOM 913 N GLY A 56 106.817 -14.751 2.018 1.00 0.00 N ATOM 914 CA GLY A 56 106.932 -14.676 0.593 1.00 0.00 C ATOM 915 C GLY A 56 106.530 -13.297 0.128 1.00 0.00 C ATOM 916 O GLY A 56 106.464 -12.370 0.951 1.00 0.00 O ATOM 0 H GLY A 56 107.700 -14.663 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 56 107.956 -14.890 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 56 106.297 -15.429 0.126 1.00 0.00 H new ATOM 920 N LYS A 57 106.301 -13.138 -1.170 1.00 0.00 N ATOM 921 CA LYS A 57 105.762 -11.897 -1.749 1.00 0.00 C ATOM 922 C LYS A 57 106.761 -10.726 -1.784 1.00 0.00 C ATOM 923 O LYS A 57 106.924 -10.118 -2.819 1.00 0.00 O ATOM 924 CB LYS A 57 104.416 -11.544 -1.086 1.00 0.00 C ATOM 925 CG LYS A 57 103.764 -10.233 -1.464 1.00 0.00 C ATOM 926 CD LYS A 57 102.336 -10.103 -0.867 1.00 0.00 C ATOM 927 CE LYS A 57 102.280 -10.283 0.672 1.00 0.00 C ATOM 928 NZ LYS A 57 102.353 -11.709 1.115 1.00 0.00 N ATOM 0 H LYS A 57 106.483 -13.866 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 57 105.575 -12.090 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.712 -12.345 -1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.565 -11.545 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.381 -9.406 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 57 103.712 -10.153 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 57 101.933 -9.123 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 57 101.689 -10.845 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 57 103.103 -9.729 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 57 101.356 -9.843 1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 101.526 -11.932 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 102.362 -12.331 0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 103.222 -11.857 1.667 1.00 0.00 H new ATOM 942 N MET A 58 107.413 -10.427 -0.680 1.00 0.00 N ATOM 943 CA MET A 58 108.412 -9.348 -0.629 1.00 0.00 C ATOM 944 C MET A 58 109.755 -9.926 -1.036 1.00 0.00 C ATOM 945 O MET A 58 110.134 -11.004 -0.564 1.00 0.00 O ATOM 946 CB MET A 58 108.441 -8.706 0.772 1.00 0.00 C ATOM 947 CG MET A 58 109.374 -7.530 0.951 1.00 0.00 C ATOM 948 SD MET A 58 111.102 -7.960 1.136 1.00 0.00 S ATOM 949 CE MET A 58 111.738 -6.355 1.509 1.00 0.00 C ATOM 0 H MET A 58 107.277 -10.912 0.207 1.00 0.00 H new ATOM 0 HA MET A 58 108.154 -8.548 -1.324 1.00 0.00 H new ATOM 0 HB2 MET A 58 107.430 -8.382 1.021 1.00 0.00 H new ATOM 0 HB3 MET A 58 108.716 -9.474 1.495 1.00 0.00 H new ATOM 0 HG2 MET A 58 109.269 -6.868 0.092 1.00 0.00 H new ATOM 0 HG3 MET A 58 109.059 -6.965 1.829 1.00 0.00 H new ATOM 0 HE1 MET A 58 112.822 -6.407 1.607 1.00 0.00 H new ATOM 0 HE2 MET A 58 111.479 -5.665 0.706 1.00 0.00 H new ATOM 0 HE3 MET A 58 111.305 -6.001 2.445 1.00 0.00 H new ATOM 959 N GLU A 59 110.463 -9.245 -1.918 1.00 0.00 N ATOM 960 CA GLU A 59 111.655 -9.805 -2.526 1.00 0.00 C ATOM 961 C GLU A 59 112.708 -8.733 -2.772 1.00 0.00 C ATOM 962 O GLU A 59 112.443 -7.533 -2.670 1.00 0.00 O ATOM 963 CB GLU A 59 111.300 -10.472 -3.879 1.00 0.00 C ATOM 964 CG GLU A 59 110.237 -11.564 -3.799 1.00 0.00 C ATOM 965 CD GLU A 59 109.955 -12.213 -5.125 1.00 0.00 C ATOM 966 OE1 GLU A 59 109.097 -11.714 -5.882 1.00 0.00 O ATOM 967 OE2 GLU A 59 110.578 -13.251 -5.435 1.00 0.00 O ATOM 0 H GLU A 59 110.232 -8.302 -2.230 1.00 0.00 H new ATOM 0 HA GLU A 59 112.058 -10.545 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.956 -9.701 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.207 -10.899 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 59 110.561 -12.326 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.314 -11.136 -3.408 1.00 0.00 H new ATOM 974 N THR A 60 113.908 -9.186 -3.065 1.00 0.00 N ATOM 975 CA THR A 60 114.994 -8.343 -3.450 1.00 0.00 C ATOM 976 C THR A 60 114.576 -7.552 -4.700 1.00 0.00 C ATOM 977 O THR A 60 114.069 -8.138 -5.669 1.00 0.00 O ATOM 978 CB THR A 60 116.178 -9.243 -3.799 1.00 0.00 C ATOM 979 OG1 THR A 60 116.352 -10.235 -2.769 1.00 0.00 O ATOM 980 CG2 THR A 60 117.406 -8.441 -3.881 1.00 0.00 C ATOM 0 H THR A 60 114.150 -10.176 -3.038 1.00 0.00 H new ATOM 0 HA THR A 60 115.261 -7.653 -2.649 1.00 0.00 H new ATOM 0 HB THR A 60 115.982 -9.725 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.183 -10.730 -2.928 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.247 -9.088 -4.130 1.00 0.00 H new ATOM 0 HG22 THR A 60 117.293 -7.680 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 60 117.591 -7.959 -2.921 1.00 0.00 H new ATOM 988 N GLY A 61 114.758 -6.256 -4.677 1.00 0.00 N ATOM 989 CA GLY A 61 114.318 -5.449 -5.784 1.00 0.00 C ATOM 990 C GLY A 61 113.175 -4.539 -5.377 1.00 0.00 C ATOM 991 O GLY A 61 112.685 -3.726 -6.183 1.00 0.00 O ATOM 0 H GLY A 61 115.202 -5.744 -3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 61 115.150 -4.850 -6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 61 114.000 -6.093 -6.604 1.00 0.00 H new ATOM 995 N ASP A 62 112.698 -4.724 -4.153 1.00 0.00 N ATOM 996 CA ASP A 62 111.704 -3.831 -3.583 1.00 0.00 C ATOM 997 C ASP A 62 112.370 -2.582 -3.074 1.00 0.00 C ATOM 998 O ASP A 62 113.357 -2.646 -2.352 1.00 0.00 O ATOM 999 CB ASP A 62 110.926 -4.457 -2.408 1.00 0.00 C ATOM 1000 CG ASP A 62 109.771 -5.357 -2.797 1.00 0.00 C ATOM 1001 OD1 ASP A 62 108.926 -4.939 -3.607 1.00 0.00 O ATOM 1002 OD2 ASP A 62 109.671 -6.508 -2.297 1.00 0.00 O ATOM 0 H ASP A 62 112.985 -5.485 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 62 110.999 -3.615 -4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 62 111.623 -5.032 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.542 -3.653 -1.780 1.00 0.00 H new ATOM 1007 N VAL A 63 111.874 -1.459 -3.453 1.00 0.00 N ATOM 1008 CA VAL A 63 112.370 -0.238 -2.911 1.00 0.00 C ATOM 1009 C VAL A 63 111.458 0.237 -1.785 1.00 0.00 C ATOM 1010 O VAL A 63 110.269 0.502 -1.991 1.00 0.00 O ATOM 1011 CB VAL A 63 112.686 0.868 -3.990 1.00 0.00 C ATOM 1012 CG1 VAL A 63 111.545 1.080 -4.945 1.00 0.00 C ATOM 1013 CG2 VAL A 63 113.094 2.190 -3.344 1.00 0.00 C ATOM 0 H VAL A 63 111.124 -1.356 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 63 113.351 -0.443 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 63 113.532 0.495 -4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 63 111.813 1.851 -5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 63 111.332 0.149 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 63 110.660 1.394 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.303 2.925 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 63 112.283 2.551 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.987 2.038 -2.738 1.00 0.00 H new ATOM 1023 N ILE A 64 112.025 0.271 -0.599 1.00 0.00 N ATOM 1024 CA ILE A 64 111.362 0.633 0.623 1.00 0.00 C ATOM 1025 C ILE A 64 111.057 2.129 0.648 1.00 0.00 C ATOM 1026 O ILE A 64 112.006 3.007 0.707 1.00 0.00 O ATOM 1027 CB ILE A 64 112.196 0.244 1.877 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.428 -1.271 1.946 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.547 0.742 3.169 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.167 -2.104 2.099 1.00 0.00 C ATOM 0 H ILE A 64 113.007 0.035 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 64 110.427 0.073 0.656 1.00 0.00 H new ATOM 0 HB ILE A 64 113.163 0.736 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 64 112.947 -1.586 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 64 113.091 -1.485 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 64 112.161 0.449 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.463 1.828 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.554 0.304 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.432 -3.161 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.655 -1.823 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.508 -1.927 1.249 1.00 0.00 H new ATOM 1042 N VAL A 65 109.749 2.397 0.621 1.00 0.00 N ATOM 1043 CA VAL A 65 109.174 3.722 0.557 1.00 0.00 C ATOM 1044 C VAL A 65 108.640 4.149 1.933 1.00 0.00 C ATOM 1045 O VAL A 65 109.019 5.177 2.455 1.00 0.00 O ATOM 1046 CB VAL A 65 107.981 3.724 -0.456 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.410 5.105 -0.667 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.378 3.109 -1.783 1.00 0.00 C ATOM 0 H VAL A 65 109.043 1.661 0.644 1.00 0.00 H new ATOM 0 HA VAL A 65 109.951 4.417 0.238 1.00 0.00 H new ATOM 0 HB VAL A 65 107.199 3.109 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.585 5.053 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.046 5.497 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 65 108.185 5.763 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.525 3.127 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 65 109.200 3.679 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.695 2.078 -1.626 1.00 0.00 H new ATOM 1058 N SER A 66 107.781 3.346 2.517 1.00 0.00 N ATOM 1059 CA SER A 66 107.142 3.711 3.771 1.00 0.00 C ATOM 1060 C SER A 66 106.940 2.465 4.644 1.00 0.00 C ATOM 1061 O SER A 66 106.979 1.341 4.135 1.00 0.00 O ATOM 1062 CB SER A 66 105.814 4.444 3.470 1.00 0.00 C ATOM 1063 OG SER A 66 105.105 4.792 4.648 1.00 0.00 O ATOM 0 H SER A 66 107.505 2.436 2.149 1.00 0.00 H new ATOM 0 HA SER A 66 107.779 4.392 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 66 106.023 5.347 2.896 1.00 0.00 H new ATOM 0 HB3 SER A 66 105.185 3.808 2.846 1.00 0.00 H new ATOM 0 HG SER A 66 104.219 4.374 4.632 1.00 0.00 H new ATOM 1069 N VAL A 67 106.750 2.648 5.949 1.00 0.00 N ATOM 1070 CA VAL A 67 106.602 1.520 6.839 1.00 0.00 C ATOM 1071 C VAL A 67 105.641 1.787 8.011 1.00 0.00 C ATOM 1072 O VAL A 67 105.975 2.498 8.965 1.00 0.00 O ATOM 1073 CB VAL A 67 107.989 0.970 7.344 1.00 0.00 C ATOM 1074 CG1 VAL A 67 108.837 2.055 7.982 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.799 -0.172 8.323 1.00 0.00 C ATOM 0 H VAL A 67 106.697 3.561 6.401 1.00 0.00 H new ATOM 0 HA VAL A 67 106.139 0.738 6.237 1.00 0.00 H new ATOM 0 HB VAL A 67 108.517 0.603 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 67 109.783 1.629 8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 67 109.030 2.842 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 67 108.308 2.475 8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 67 108.773 -0.532 8.655 1.00 0.00 H new ATOM 0 HG22 VAL A 67 107.228 0.178 9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 67 107.259 -0.983 7.835 1.00 0.00 H new ATOM 1085 N ASN A 68 104.446 1.200 7.906 1.00 0.00 N ATOM 1086 CA ASN A 68 103.402 1.167 8.959 1.00 0.00 C ATOM 1087 C ASN A 68 102.807 2.528 9.296 1.00 0.00 C ATOM 1088 O ASN A 68 101.632 2.806 9.025 1.00 0.00 O ATOM 1089 CB ASN A 68 104.013 0.491 10.183 1.00 0.00 C ATOM 1090 CG ASN A 68 103.118 0.296 11.375 1.00 0.00 C ATOM 1091 OD1 ASN A 68 103.029 1.155 12.255 1.00 0.00 O ATOM 1092 ND2 ASN A 68 102.476 -0.835 11.434 1.00 0.00 N ATOM 0 H ASN A 68 104.158 0.713 7.057 1.00 0.00 H new ATOM 0 HA ASN A 68 102.549 0.602 8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 68 104.388 -0.486 9.878 1.00 0.00 H new ATOM 0 HB3 ASN A 68 104.875 1.079 10.499 1.00 0.00 H new ATOM 0 HD21 ASN A 68 101.871 -1.037 12.230 1.00 0.00 H new ATOM 0 HD22 ASN A 68 102.578 -1.519 10.684 1.00 0.00 H new ATOM 1099 N ASP A 69 103.626 3.344 9.825 1.00 0.00 N ATOM 1100 CA ASP A 69 103.287 4.672 10.300 1.00 0.00 C ATOM 1101 C ASP A 69 104.454 5.591 10.052 1.00 0.00 C ATOM 1102 O ASP A 69 104.294 6.750 9.645 1.00 0.00 O ATOM 1103 CB ASP A 69 102.980 4.634 11.801 1.00 0.00 C ATOM 1104 CG ASP A 69 102.842 6.012 12.404 1.00 0.00 C ATOM 1105 OD1 ASP A 69 101.757 6.614 12.298 1.00 0.00 O ATOM 1106 OD2 ASP A 69 103.818 6.508 13.007 1.00 0.00 O ATOM 0 H ASP A 69 104.611 3.116 9.958 1.00 0.00 H new ATOM 0 HA ASP A 69 102.406 5.032 9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 69 102.058 4.076 11.965 1.00 0.00 H new ATOM 0 HB3 ASP A 69 103.775 4.094 12.316 1.00 0.00 H new ATOM 1111 N THR A 70 105.626 5.059 10.276 1.00 0.00 N ATOM 1112 CA THR A 70 106.841 5.763 10.103 1.00 0.00 C ATOM 1113 C THR A 70 107.101 6.008 8.633 1.00 0.00 C ATOM 1114 O THR A 70 107.072 5.082 7.795 1.00 0.00 O ATOM 1115 CB THR A 70 107.985 4.953 10.716 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.594 4.545 12.042 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.256 5.786 10.795 1.00 0.00 C ATOM 0 H THR A 70 105.751 4.097 10.592 1.00 0.00 H new ATOM 0 HA THR A 70 106.773 6.729 10.604 1.00 0.00 H new ATOM 0 HB THR A 70 108.186 4.083 10.090 1.00 0.00 H new ATOM 0 HG1 THR A 70 108.316 4.022 12.450 1.00 0.00 H new ATOM 0 HG21 THR A 70 110.055 5.189 11.234 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.547 6.102 9.793 1.00 0.00 H new ATOM 0 HG23 THR A 70 109.077 6.665 11.415 1.00 0.00 H new ATOM 1125 N CYS A 71 107.338 7.229 8.319 1.00 0.00 N ATOM 1126 CA CYS A 71 107.607 7.598 7.000 1.00 0.00 C ATOM 1127 C CYS A 71 109.094 7.433 6.793 1.00 0.00 C ATOM 1128 O CYS A 71 109.872 8.356 6.997 1.00 0.00 O ATOM 1129 CB CYS A 71 107.161 9.034 6.767 1.00 0.00 C ATOM 1130 SG CYS A 71 107.179 9.557 5.041 1.00 0.00 S ATOM 0 H CYS A 71 107.348 8.000 8.986 1.00 0.00 H new ATOM 0 HA CYS A 71 107.064 6.977 6.287 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.151 9.155 7.159 1.00 0.00 H new ATOM 0 HB3 CYS A 71 107.807 9.699 7.341 1.00 0.00 H new ATOM 0 HG CYS A 71 106.781 10.792 4.957 1.00 0.00 H new ATOM 1136 N VAL A 72 109.493 6.229 6.419 1.00 0.00 N ATOM 1137 CA VAL A 72 110.899 5.907 6.184 1.00 0.00 C ATOM 1138 C VAL A 72 111.338 6.473 4.817 1.00 0.00 C ATOM 1139 O VAL A 72 112.477 6.309 4.365 1.00 0.00 O ATOM 1140 CB VAL A 72 111.138 4.369 6.272 1.00 0.00 C ATOM 1141 CG1 VAL A 72 110.474 3.618 5.139 1.00 0.00 C ATOM 1142 CG2 VAL A 72 112.600 4.023 6.371 1.00 0.00 C ATOM 0 H VAL A 72 108.857 5.446 6.269 1.00 0.00 H new ATOM 0 HA VAL A 72 111.508 6.371 6.960 1.00 0.00 H new ATOM 0 HB VAL A 72 110.664 4.043 7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 72 110.670 2.551 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 72 109.399 3.794 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 72 110.874 3.967 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 72 112.715 2.941 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 72 113.123 4.396 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 72 113.023 4.482 7.265 1.00 0.00 H new ATOM 1152 N LEU A 73 110.409 7.143 4.191 1.00 0.00 N ATOM 1153 CA LEU A 73 110.601 7.799 2.955 1.00 0.00 C ATOM 1154 C LEU A 73 111.621 8.894 3.155 1.00 0.00 C ATOM 1155 O LEU A 73 111.366 9.894 3.858 1.00 0.00 O ATOM 1156 CB LEU A 73 109.258 8.386 2.573 1.00 0.00 C ATOM 1157 CG LEU A 73 109.087 8.925 1.186 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.414 7.853 0.174 1.00 0.00 C ATOM 1159 CD2 LEU A 73 107.654 9.390 1.032 1.00 0.00 C ATOM 0 H LEU A 73 109.462 7.242 4.556 1.00 0.00 H new ATOM 0 HA LEU A 73 110.960 7.129 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.503 7.615 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.036 9.192 3.273 1.00 0.00 H new ATOM 0 HG LEU A 73 109.763 9.763 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.287 8.252 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.446 7.528 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.745 7.004 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.506 9.787 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 73 106.979 8.549 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.444 10.169 1.765 1.00 0.00 H new ATOM 1171 N GLY A 74 112.765 8.696 2.558 1.00 0.00 N ATOM 1172 CA GLY A 74 113.837 9.628 2.670 1.00 0.00 C ATOM 1173 C GLY A 74 114.420 9.679 4.061 1.00 0.00 C ATOM 1174 O GLY A 74 114.928 10.722 4.483 1.00 0.00 O ATOM 0 H GLY A 74 112.973 7.881 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 74 114.621 9.361 1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.481 10.620 2.393 1.00 0.00 H new ATOM 1178 N HIS A 75 114.324 8.577 4.786 1.00 0.00 N ATOM 1179 CA HIS A 75 114.834 8.513 6.118 1.00 0.00 C ATOM 1180 C HIS A 75 116.330 8.468 6.036 1.00 0.00 C ATOM 1181 O HIS A 75 116.880 7.809 5.159 1.00 0.00 O ATOM 1182 CB HIS A 75 114.322 7.254 6.815 1.00 0.00 C ATOM 1183 CG HIS A 75 113.674 7.487 8.141 1.00 0.00 C ATOM 1184 ND1 HIS A 75 113.979 6.971 9.334 1.00 0.00 N flip ATOM 1185 CD2 HIS A 75 112.587 8.310 8.351 1.00 0.00 C flip ATOM 1186 CE1 HIS A 75 113.101 7.460 10.297 1.00 0.00 C flip ATOM 1187 NE2 HIS A 75 112.278 8.265 9.647 1.00 0.00 N flip ATOM 0 H HIS A 75 113.891 7.714 4.458 1.00 0.00 H new ATOM 0 HA HIS A 75 114.506 9.382 6.688 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.606 6.759 6.159 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.157 6.567 6.951 1.00 0.00 H new ATOM 0 HD2 HIS A 75 112.075 8.890 7.597 1.00 0.00 H new ATOM 0 HE1 HIS A 75 113.094 7.230 11.352 1.00 0.00 H new ATOM 0 HE2 HIS A 75 111.511 8.781 10.078 1.00 0.00 H new ATOM 1195 N THR A 76 116.985 9.193 6.901 1.00 0.00 N ATOM 1196 CA THR A 76 118.417 9.172 6.919 1.00 0.00 C ATOM 1197 C THR A 76 118.845 7.812 7.462 1.00 0.00 C ATOM 1198 O THR A 76 118.148 7.296 8.348 1.00 0.00 O ATOM 1199 CB THR A 76 118.947 10.283 7.848 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.433 11.561 7.431 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.465 10.338 7.869 1.00 0.00 C ATOM 0 H THR A 76 116.552 9.800 7.597 1.00 0.00 H new ATOM 0 HA THR A 76 118.815 9.338 5.918 1.00 0.00 H new ATOM 0 HB THR A 76 118.604 10.049 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 76 118.773 12.261 8.027 1.00 0.00 H new ATOM 0 HG21 THR A 76 120.791 11.135 8.537 1.00 0.00 H new ATOM 0 HG22 THR A 76 120.859 9.385 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 76 120.836 10.533 6.863 1.00 0.00 H new ATOM 1209 N HIS A 77 119.914 7.229 6.953 1.00 0.00 N ATOM 1210 CA HIS A 77 120.315 5.877 7.342 1.00 0.00 C ATOM 1211 C HIS A 77 120.353 5.668 8.835 1.00 0.00 C ATOM 1212 O HIS A 77 119.820 4.688 9.334 1.00 0.00 O ATOM 1213 CB HIS A 77 121.645 5.486 6.737 1.00 0.00 C ATOM 1214 CG HIS A 77 121.872 4.023 6.819 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.393 3.385 7.914 1.00 0.00 N ATOM 1216 CD2 HIS A 77 121.595 3.063 5.928 1.00 0.00 C ATOM 1217 CE1 HIS A 77 122.409 2.093 7.658 1.00 0.00 C ATOM 1218 NE2 HIS A 77 121.943 1.839 6.468 1.00 0.00 N ATOM 0 H HIS A 77 120.527 7.667 6.266 1.00 0.00 H new ATOM 0 HA HIS A 77 119.537 5.227 6.942 1.00 0.00 H new ATOM 0 HB2 HIS A 77 121.678 5.802 5.694 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.449 6.009 7.255 1.00 0.00 H new ATOM 0 HD1 HIS A 77 122.712 3.831 8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 77 121.169 3.219 4.948 1.00 0.00 H new ATOM 0 HE1 HIS A 77 122.763 1.340 8.347 1.00 0.00 H new ATOM 1226 N ALA A 78 120.925 6.616 9.532 1.00 0.00 N ATOM 1227 CA ALA A 78 121.078 6.536 10.973 1.00 0.00 C ATOM 1228 C ALA A 78 119.721 6.454 11.647 1.00 0.00 C ATOM 1229 O ALA A 78 119.539 5.715 12.599 1.00 0.00 O ATOM 1230 CB ALA A 78 121.855 7.727 11.486 1.00 0.00 C ATOM 0 H ALA A 78 121.301 7.470 9.121 1.00 0.00 H new ATOM 0 HA ALA A 78 121.635 5.631 11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 78 121.962 7.653 12.568 1.00 0.00 H new ATOM 0 HB2 ALA A 78 122.842 7.744 11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.322 8.644 11.236 1.00 0.00 H new ATOM 1236 N GLN A 79 118.766 7.173 11.092 1.00 0.00 N ATOM 1237 CA GLN A 79 117.424 7.208 11.608 1.00 0.00 C ATOM 1238 C GLN A 79 116.751 5.839 11.371 1.00 0.00 C ATOM 1239 O GLN A 79 116.307 5.159 12.322 1.00 0.00 O ATOM 1240 CB GLN A 79 116.629 8.302 10.885 1.00 0.00 C ATOM 1241 CG GLN A 79 117.240 9.694 10.934 1.00 0.00 C ATOM 1242 CD GLN A 79 117.185 10.352 12.283 1.00 0.00 C ATOM 1243 OE1 GLN A 79 116.282 10.110 13.083 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.118 11.219 12.527 1.00 0.00 N ATOM 0 H GLN A 79 118.907 7.752 10.264 1.00 0.00 H new ATOM 0 HA GLN A 79 117.447 7.423 12.676 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.512 8.012 9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 79 115.630 8.347 11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.281 9.631 10.617 1.00 0.00 H new ATOM 0 HG3 GLN A 79 116.725 10.329 10.213 1.00 0.00 H new ATOM 0 HE21 GLN A 79 118.849 11.390 11.836 1.00 0.00 H new ATOM 0 HE22 GLN A 79 118.121 11.730 13.410 1.00 0.00 H new ATOM 1253 N VAL A 80 116.730 5.416 10.097 1.00 0.00 N ATOM 1254 CA VAL A 80 116.079 4.173 9.711 1.00 0.00 C ATOM 1255 C VAL A 80 116.698 2.949 10.387 1.00 0.00 C ATOM 1256 O VAL A 80 115.979 2.131 10.983 1.00 0.00 O ATOM 1257 CB VAL A 80 115.972 3.975 8.153 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.323 4.093 7.475 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.336 2.616 7.856 1.00 0.00 C ATOM 0 H VAL A 80 117.159 5.923 9.323 1.00 0.00 H new ATOM 0 HA VAL A 80 115.057 4.267 10.079 1.00 0.00 H new ATOM 0 HB VAL A 80 115.343 4.768 7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.205 3.950 6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 80 117.741 5.082 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 80 117.996 3.332 7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.261 2.477 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 80 115.953 1.825 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.340 2.576 8.297 1.00 0.00 H new ATOM 1269 N VAL A 81 118.024 2.860 10.365 1.00 0.00 N ATOM 1270 CA VAL A 81 118.715 1.719 10.949 1.00 0.00 C ATOM 1271 C VAL A 81 118.456 1.644 12.435 1.00 0.00 C ATOM 1272 O VAL A 81 118.296 0.578 12.968 1.00 0.00 O ATOM 1273 CB VAL A 81 120.257 1.649 10.629 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.062 2.733 11.337 1.00 0.00 C ATOM 1275 CG2 VAL A 81 120.823 0.270 10.939 1.00 0.00 C ATOM 0 H VAL A 81 118.638 3.561 9.951 1.00 0.00 H new ATOM 0 HA VAL A 81 118.291 0.839 10.464 1.00 0.00 H new ATOM 0 HB VAL A 81 120.353 1.834 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.116 2.632 11.077 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.704 3.714 11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 81 120.943 2.629 12.415 1.00 0.00 H new ATOM 0 HG21 VAL A 81 121.888 0.253 10.708 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.677 0.046 11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.309 -0.478 10.336 1.00 0.00 H new ATOM 1285 N LYS A 82 118.364 2.789 13.075 1.00 0.00 N ATOM 1286 CA LYS A 82 118.087 2.854 14.484 1.00 0.00 C ATOM 1287 C LYS A 82 116.734 2.232 14.815 1.00 0.00 C ATOM 1288 O LYS A 82 116.627 1.482 15.775 1.00 0.00 O ATOM 1289 CB LYS A 82 118.215 4.312 14.962 1.00 0.00 C ATOM 1290 CG LYS A 82 117.792 4.635 16.412 1.00 0.00 C ATOM 1291 CD LYS A 82 116.287 4.888 16.564 1.00 0.00 C ATOM 1292 CE LYS A 82 115.836 6.078 15.721 1.00 0.00 C ATOM 1293 NZ LYS A 82 114.417 6.405 15.929 1.00 0.00 N ATOM 0 H LYS A 82 118.480 3.699 12.629 1.00 0.00 H new ATOM 0 HA LYS A 82 118.821 2.260 15.028 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.256 4.614 14.842 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.623 4.937 14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 82 118.081 3.808 17.060 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.337 5.514 16.755 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.734 3.997 16.265 1.00 0.00 H new ATOM 0 HD3 LYS A 82 116.051 5.072 17.612 1.00 0.00 H new ATOM 0 HE2 LYS A 82 116.446 6.947 15.967 1.00 0.00 H new ATOM 0 HE3 LYS A 82 116.005 5.858 14.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 114.020 6.800 15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 113.896 5.543 16.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 114.330 7.104 16.694 1.00 0.00 H new ATOM 1307 N ILE A 83 115.721 2.485 13.992 1.00 0.00 N ATOM 1308 CA ILE A 83 114.379 1.977 14.293 1.00 0.00 C ATOM 1309 C ILE A 83 114.366 0.481 14.076 1.00 0.00 C ATOM 1310 O ILE A 83 114.032 -0.319 14.968 1.00 0.00 O ATOM 1311 CB ILE A 83 113.305 2.604 13.369 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.344 4.128 13.452 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.907 2.080 13.731 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.354 4.807 12.544 1.00 0.00 C ATOM 0 H ILE A 83 115.795 3.025 13.130 1.00 0.00 H new ATOM 0 HA ILE A 83 114.146 2.237 15.325 1.00 0.00 H new ATOM 0 HB ILE A 83 113.526 2.312 12.343 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.149 4.433 14.480 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.348 4.471 13.203 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.167 2.532 13.071 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.883 0.996 13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.678 2.339 14.765 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.439 5.888 12.657 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.561 4.533 11.510 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.344 4.493 12.807 1.00 0.00 H new ATOM 1326 N PHE A 84 114.838 0.131 12.917 1.00 0.00 N ATOM 1327 CA PHE A 84 114.859 -1.212 12.433 1.00 0.00 C ATOM 1328 C PHE A 84 115.746 -2.141 13.267 1.00 0.00 C ATOM 1329 O PHE A 84 115.475 -3.327 13.380 1.00 0.00 O ATOM 1330 CB PHE A 84 115.250 -1.195 10.963 1.00 0.00 C ATOM 1331 CG PHE A 84 114.113 -0.843 10.018 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.551 0.424 10.009 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.617 -1.784 9.137 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.521 0.740 9.145 1.00 0.00 C ATOM 1335 CE2 PHE A 84 112.586 -1.476 8.269 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.039 -0.213 8.273 1.00 0.00 C ATOM 0 H PHE A 84 115.234 0.802 12.259 1.00 0.00 H new ATOM 0 HA PHE A 84 113.858 -1.632 12.534 1.00 0.00 H new ATOM 0 HB2 PHE A 84 116.059 -0.478 10.822 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.642 -2.175 10.692 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.924 1.176 10.688 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.042 -2.777 9.126 1.00 0.00 H new ATOM 0 HE1 PHE A 84 112.094 1.732 9.152 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.210 -2.226 7.588 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.234 0.031 7.595 1.00 0.00 H new ATOM 1346 N GLN A 85 116.782 -1.594 13.852 1.00 0.00 N ATOM 1347 CA GLN A 85 117.675 -2.362 14.692 1.00 0.00 C ATOM 1348 C GLN A 85 117.167 -2.439 16.142 1.00 0.00 C ATOM 1349 O GLN A 85 117.522 -3.359 16.879 1.00 0.00 O ATOM 1350 CB GLN A 85 119.078 -1.763 14.628 1.00 0.00 C ATOM 1351 CG GLN A 85 120.172 -2.721 14.181 1.00 0.00 C ATOM 1352 CD GLN A 85 119.832 -3.508 12.926 1.00 0.00 C ATOM 1353 OE1 GLN A 85 119.283 -4.602 12.993 1.00 0.00 O ATOM 1354 NE2 GLN A 85 120.187 -2.990 11.792 1.00 0.00 N ATOM 0 H GLN A 85 117.032 -0.609 13.762 1.00 0.00 H new ATOM 0 HA GLN A 85 117.709 -3.385 14.317 1.00 0.00 H new ATOM 0 HB2 GLN A 85 119.062 -0.912 13.947 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.336 -1.377 15.614 1.00 0.00 H new ATOM 0 HG2 GLN A 85 121.087 -2.155 14.005 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.381 -3.421 14.990 1.00 0.00 H new ATOM 0 HE21 GLN A 85 120.642 -2.077 11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 85 120.011 -3.495 10.923 1.00 0.00 H new ATOM 1363 N SER A 86 116.334 -1.483 16.559 1.00 0.00 N ATOM 1364 CA SER A 86 115.814 -1.501 17.930 1.00 0.00 C ATOM 1365 C SER A 86 114.445 -2.181 18.002 1.00 0.00 C ATOM 1366 O SER A 86 113.797 -2.205 19.047 1.00 0.00 O ATOM 1367 CB SER A 86 115.787 -0.097 18.552 1.00 0.00 C ATOM 1368 OG SER A 86 115.058 0.823 17.750 1.00 0.00 O ATOM 0 H SER A 86 116.011 -0.705 15.985 1.00 0.00 H new ATOM 0 HA SER A 86 116.504 -2.097 18.527 1.00 0.00 H new ATOM 0 HB2 SER A 86 115.339 -0.148 19.544 1.00 0.00 H new ATOM 0 HB3 SER A 86 116.808 0.263 18.681 1.00 0.00 H new ATOM 0 HG SER A 86 115.657 1.224 17.086 1.00 0.00 H new ATOM 1374 N ILE A 87 114.005 -2.674 16.872 1.00 0.00 N ATOM 1375 CA ILE A 87 112.814 -3.475 16.732 1.00 0.00 C ATOM 1376 C ILE A 87 112.704 -4.637 17.765 1.00 0.00 C ATOM 1377 O ILE A 87 113.710 -5.256 18.137 1.00 0.00 O ATOM 1378 CB ILE A 87 112.760 -4.040 15.294 1.00 0.00 C ATOM 1379 CG1 ILE A 87 112.313 -2.970 14.332 1.00 0.00 C ATOM 1380 CG2 ILE A 87 111.924 -5.287 15.150 1.00 0.00 C ATOM 1381 CD1 ILE A 87 112.002 -3.501 12.975 1.00 0.00 C ATOM 0 H ILE A 87 114.487 -2.522 15.986 1.00 0.00 H new ATOM 0 HA ILE A 87 111.966 -2.821 16.933 1.00 0.00 H new ATOM 0 HB ILE A 87 113.776 -4.350 15.050 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.429 -2.474 14.734 1.00 0.00 H new ATOM 0 HG13 ILE A 87 113.093 -2.213 14.250 1.00 0.00 H new ATOM 0 HG21 ILE A 87 111.939 -5.617 14.111 1.00 0.00 H new ATOM 0 HG22 ILE A 87 112.330 -6.073 15.787 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.897 -5.073 15.448 1.00 0.00 H new ATOM 0 HD11 ILE A 87 111.686 -2.683 12.328 1.00 0.00 H new ATOM 0 HD12 ILE A 87 112.891 -3.972 12.556 1.00 0.00 H new ATOM 0 HD13 ILE A 87 111.201 -4.237 13.047 1.00 0.00 H new ATOM 1393 N PRO A 88 111.468 -4.926 18.234 1.00 0.00 N ATOM 1394 CA PRO A 88 111.184 -6.042 19.112 1.00 0.00 C ATOM 1395 C PRO A 88 110.702 -7.256 18.300 1.00 0.00 C ATOM 1396 O PRO A 88 110.001 -7.125 17.287 1.00 0.00 O ATOM 1397 CB PRO A 88 110.045 -5.502 19.982 1.00 0.00 C ATOM 1398 CG PRO A 88 109.393 -4.404 19.174 1.00 0.00 C ATOM 1399 CD PRO A 88 110.238 -4.195 17.933 1.00 0.00 C ATOM 0 HA PRO A 88 112.050 -6.378 19.682 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.329 -6.289 20.221 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.425 -5.118 20.929 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.374 -4.680 18.903 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.330 -3.484 19.756 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.747 -4.585 17.042 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.433 -3.138 17.753 1.00 0.00 H new ATOM 1407 N ILE A 89 111.104 -8.409 18.721 1.00 0.00 N ATOM 1408 CA ILE A 89 110.762 -9.650 18.050 1.00 0.00 C ATOM 1409 C ILE A 89 109.257 -9.931 18.207 1.00 0.00 C ATOM 1410 O ILE A 89 108.666 -9.634 19.258 1.00 0.00 O ATOM 1411 CB ILE A 89 111.550 -10.832 18.666 1.00 0.00 C ATOM 1412 CG1 ILE A 89 113.032 -10.499 18.751 1.00 0.00 C ATOM 1413 CG2 ILE A 89 111.344 -12.104 17.856 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.858 -11.510 19.484 1.00 0.00 C ATOM 0 H ILE A 89 111.687 -8.533 19.549 1.00 0.00 H new ATOM 0 HA ILE A 89 111.018 -9.550 16.995 1.00 0.00 H new ATOM 0 HB ILE A 89 111.170 -11.001 19.673 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.425 -10.392 17.740 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.146 -9.532 19.241 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.908 -12.919 18.309 1.00 0.00 H new ATOM 0 HG22 ILE A 89 110.284 -12.359 17.843 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.692 -11.946 16.835 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.900 -11.190 19.494 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.496 -11.602 20.508 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.780 -12.475 18.984 1.00 0.00 H new ATOM 1426 N GLY A 90 108.653 -10.470 17.175 1.00 0.00 N ATOM 1427 CA GLY A 90 107.274 -10.841 17.229 1.00 0.00 C ATOM 1428 C GLY A 90 106.370 -9.697 16.889 1.00 0.00 C ATOM 1429 O GLY A 90 105.159 -9.794 17.068 1.00 0.00 O ATOM 0 H GLY A 90 109.108 -10.660 16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 90 107.093 -11.664 16.537 1.00 0.00 H new ATOM 0 HA3 GLY A 90 107.036 -11.206 18.228 1.00 0.00 H new ATOM 1433 N ALA A 91 106.942 -8.628 16.372 1.00 0.00 N ATOM 1434 CA ALA A 91 106.177 -7.372 16.174 1.00 0.00 C ATOM 1435 C ALA A 91 105.690 -7.227 14.718 1.00 0.00 C ATOM 1436 O ALA A 91 105.849 -8.125 13.935 1.00 0.00 O ATOM 1437 CB ALA A 91 106.989 -6.172 16.655 1.00 0.00 C ATOM 0 H ALA A 91 107.918 -8.584 16.079 1.00 0.00 H new ATOM 0 HA ALA A 91 105.275 -7.413 16.785 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.414 -5.259 16.503 1.00 0.00 H new ATOM 0 HB2 ALA A 91 107.214 -6.286 17.715 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.920 -6.113 16.091 1.00 0.00 H new ATOM 1443 N SER A 92 105.144 -6.085 14.341 1.00 0.00 N ATOM 1444 CA SER A 92 104.439 -5.995 13.038 1.00 0.00 C ATOM 1445 C SER A 92 104.534 -4.628 12.363 1.00 0.00 C ATOM 1446 O SER A 92 104.454 -3.605 13.024 1.00 0.00 O ATOM 1447 CB SER A 92 102.978 -6.383 13.266 1.00 0.00 C ATOM 1448 OG SER A 92 102.441 -5.719 14.395 1.00 0.00 O ATOM 0 H SER A 92 105.163 -5.223 14.885 1.00 0.00 H new ATOM 0 HA SER A 92 104.932 -6.679 12.348 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.391 -6.135 12.382 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.903 -7.461 13.406 1.00 0.00 H new ATOM 0 HG SER A 92 101.505 -5.984 14.516 1.00 0.00 H new ATOM 1454 N VAL A 93 104.745 -4.636 11.039 1.00 0.00 N ATOM 1455 CA VAL A 93 104.748 -3.422 10.207 1.00 0.00 C ATOM 1456 C VAL A 93 104.323 -3.708 8.808 1.00 0.00 C ATOM 1457 O VAL A 93 104.462 -4.828 8.315 1.00 0.00 O ATOM 1458 CB VAL A 93 106.080 -2.666 10.148 1.00 0.00 C ATOM 1459 CG1 VAL A 93 106.282 -1.743 11.334 1.00 0.00 C ATOM 1460 CG2 VAL A 93 107.223 -3.615 9.981 1.00 0.00 C ATOM 0 H VAL A 93 104.920 -5.491 10.511 1.00 0.00 H new ATOM 0 HA VAL A 93 104.031 -2.777 10.715 1.00 0.00 H new ATOM 0 HB VAL A 93 106.044 -2.022 9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 93 107.241 -1.234 11.240 1.00 0.00 H new ATOM 0 HG12 VAL A 93 105.480 -1.005 11.361 1.00 0.00 H new ATOM 0 HG13 VAL A 93 106.270 -2.326 12.255 1.00 0.00 H new ATOM 0 HG21 VAL A 93 108.158 -3.056 9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 93 107.249 -4.306 10.824 1.00 0.00 H new ATOM 0 HG23 VAL A 93 107.097 -4.177 9.055 1.00 0.00 H new ATOM 1470 N ASP A 94 103.836 -2.679 8.189 1.00 0.00 N ATOM 1471 CA ASP A 94 103.332 -2.685 6.860 1.00 0.00 C ATOM 1472 C ASP A 94 104.346 -2.011 5.984 1.00 0.00 C ATOM 1473 O ASP A 94 104.538 -0.808 6.067 1.00 0.00 O ATOM 1474 CB ASP A 94 102.045 -1.867 6.824 1.00 0.00 C ATOM 1475 CG ASP A 94 100.971 -2.377 7.751 1.00 0.00 C ATOM 1476 OD1 ASP A 94 101.004 -2.044 8.969 1.00 0.00 O ATOM 1477 OD2 ASP A 94 100.046 -3.072 7.281 1.00 0.00 O ATOM 0 H ASP A 94 103.778 -1.760 8.628 1.00 0.00 H new ATOM 0 HA ASP A 94 103.140 -3.704 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 94 102.275 -0.834 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.659 -1.860 5.805 1.00 0.00 H new ATOM 1482 N LEU A 95 104.983 -2.753 5.167 1.00 0.00 N ATOM 1483 CA LEU A 95 106.001 -2.205 4.299 1.00 0.00 C ATOM 1484 C LEU A 95 105.381 -1.777 2.996 1.00 0.00 C ATOM 1485 O LEU A 95 104.882 -2.601 2.232 1.00 0.00 O ATOM 1486 CB LEU A 95 107.140 -3.220 3.989 1.00 0.00 C ATOM 1487 CG LEU A 95 108.058 -3.688 5.141 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.680 -2.524 5.866 1.00 0.00 C ATOM 1489 CD2 LEU A 95 107.349 -4.604 6.107 1.00 0.00 C ATOM 0 H LEU A 95 104.831 -3.756 5.064 1.00 0.00 H new ATOM 0 HA LEU A 95 106.438 -1.357 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.681 -4.107 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 95 107.775 -2.778 3.221 1.00 0.00 H new ATOM 0 HG LEU A 95 108.859 -4.264 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.318 -2.894 6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 95 109.278 -1.938 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 95 107.895 -1.896 6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 95 108.038 -4.904 6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 95 106.499 -4.082 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 95 106.997 -5.489 5.577 1.00 0.00 H new ATOM 1501 N GLU A 96 105.396 -0.496 2.768 1.00 0.00 N ATOM 1502 CA GLU A 96 104.949 0.083 1.538 1.00 0.00 C ATOM 1503 C GLU A 96 106.176 0.186 0.668 1.00 0.00 C ATOM 1504 O GLU A 96 107.079 1.005 0.936 1.00 0.00 O ATOM 1505 CB GLU A 96 104.368 1.472 1.790 1.00 0.00 C ATOM 1506 CG GLU A 96 103.179 1.507 2.747 1.00 0.00 C ATOM 1507 CD GLU A 96 102.668 2.914 2.987 1.00 0.00 C ATOM 1508 OE1 GLU A 96 102.167 3.539 2.041 1.00 0.00 O ATOM 1509 OE2 GLU A 96 102.741 3.417 4.157 1.00 0.00 O ATOM 0 H GLU A 96 105.727 0.189 3.448 1.00 0.00 H new ATOM 0 HA GLU A 96 104.169 -0.517 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 96 105.155 2.112 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 96 104.061 1.900 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 96 102.373 0.895 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.470 1.062 3.699 1.00 0.00 H new ATOM 1516 N LEU A 97 106.248 -0.635 -0.319 1.00 0.00 N ATOM 1517 CA LEU A 97 107.431 -0.740 -1.112 1.00 0.00 C ATOM 1518 C LEU A 97 107.078 -0.884 -2.575 1.00 0.00 C ATOM 1519 O LEU A 97 105.972 -1.309 -2.922 1.00 0.00 O ATOM 1520 CB LEU A 97 108.355 -1.882 -0.565 1.00 0.00 C ATOM 1521 CG LEU A 97 107.943 -3.386 -0.694 1.00 0.00 C ATOM 1522 CD1 LEU A 97 108.770 -4.215 0.265 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.482 -3.652 -0.431 1.00 0.00 C ATOM 0 H LEU A 97 105.490 -1.256 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 97 108.010 0.180 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.322 -1.773 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.513 -1.684 0.495 1.00 0.00 H new ATOM 0 HG LEU A 97 108.128 -3.662 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.486 -5.264 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 97 109.827 -4.104 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.594 -3.875 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.281 -4.718 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.232 -3.338 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.876 -3.093 -1.144 1.00 0.00 H new ATOM 1535 N CYS A 98 107.959 -0.477 -3.421 1.00 0.00 N ATOM 1536 CA CYS A 98 107.683 -0.520 -4.816 1.00 0.00 C ATOM 1537 C CYS A 98 108.604 -1.518 -5.482 1.00 0.00 C ATOM 1538 O CYS A 98 109.819 -1.463 -5.329 1.00 0.00 O ATOM 1539 CB CYS A 98 107.824 0.879 -5.425 1.00 0.00 C ATOM 1540 SG CYS A 98 107.146 1.059 -7.086 1.00 0.00 S ATOM 0 H CYS A 98 108.878 -0.110 -3.172 1.00 0.00 H new ATOM 0 HA CYS A 98 106.656 -0.845 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 98 107.332 1.596 -4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 98 108.881 1.143 -5.450 1.00 0.00 H new ATOM 0 HG CYS A 98 108.052 0.740 -7.962 1.00 0.00 H new ATOM 1546 N ARG A 99 108.030 -2.416 -6.194 1.00 0.00 N ATOM 1547 CA ARG A 99 108.753 -3.438 -6.864 1.00 0.00 C ATOM 1548 C ARG A 99 108.962 -3.007 -8.295 1.00 0.00 C ATOM 1549 O ARG A 99 108.042 -2.511 -8.919 1.00 0.00 O ATOM 1550 CB ARG A 99 107.937 -4.712 -6.851 1.00 0.00 C ATOM 1551 CG ARG A 99 108.616 -5.878 -7.495 1.00 0.00 C ATOM 1552 CD ARG A 99 109.731 -6.376 -6.619 1.00 0.00 C ATOM 1553 NE ARG A 99 109.206 -6.828 -5.379 1.00 0.00 N ATOM 1554 CZ ARG A 99 108.850 -8.038 -5.082 1.00 0.00 C ATOM 1555 NH1 ARG A 99 108.957 -9.013 -5.972 1.00 0.00 N ATOM 1556 NH2 ARG A 99 108.416 -8.269 -3.887 1.00 0.00 N ATOM 0 H ARG A 99 107.021 -2.464 -6.332 1.00 0.00 H new ATOM 0 HA ARG A 99 109.710 -3.610 -6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 99 107.700 -4.968 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 99 106.990 -4.530 -7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.896 -6.677 -7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.011 -5.587 -8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 99 110.262 -7.188 -7.117 1.00 0.00 H new ATOM 0 HD3 ARG A 99 110.455 -5.579 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 99 109.098 -6.127 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 99 109.323 -8.815 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 99 108.673 -9.961 -5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.361 -7.509 -3.209 1.00 0.00 H new ATOM 0 HH22 ARG A 99 108.128 -9.211 -3.622 1.00 0.00 H new ATOM 1570 N GLY A 100 110.130 -3.225 -8.822 1.00 0.00 N ATOM 1571 CA GLY A 100 110.399 -2.810 -10.182 1.00 0.00 C ATOM 1572 C GLY A 100 111.809 -2.360 -10.327 1.00 0.00 C ATOM 1573 O GLY A 100 112.319 -2.185 -11.438 1.00 0.00 O ATOM 0 H GLY A 100 110.908 -3.681 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 100 110.204 -3.637 -10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.724 -2.001 -10.461 1.00 0.00 H new ATOM 1577 N TYR A 101 112.430 -2.146 -9.207 1.00 0.00 N ATOM 1578 CA TYR A 101 113.803 -1.782 -9.145 1.00 0.00 C ATOM 1579 C TYR A 101 114.681 -3.010 -9.311 1.00 0.00 C ATOM 1580 O TYR A 101 114.372 -4.083 -8.792 1.00 0.00 O ATOM 1581 CB TYR A 101 114.089 -1.050 -7.829 1.00 0.00 C ATOM 1582 CG TYR A 101 114.108 0.451 -7.973 1.00 0.00 C ATOM 1583 CD1 TYR A 101 112.946 1.168 -8.220 1.00 0.00 C ATOM 1584 CD2 TYR A 101 115.304 1.149 -7.881 1.00 0.00 C ATOM 1585 CE1 TYR A 101 112.978 2.538 -8.365 1.00 0.00 C ATOM 1586 CE2 TYR A 101 115.344 2.517 -8.025 1.00 0.00 C ATOM 1587 CZ TYR A 101 114.183 3.207 -8.266 1.00 0.00 C ATOM 1588 OH TYR A 101 114.221 4.575 -8.408 1.00 0.00 O ATOM 0 H TYR A 101 111.982 -2.223 -8.294 1.00 0.00 H new ATOM 0 HA TYR A 101 114.036 -1.101 -9.964 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.333 -1.328 -7.095 1.00 0.00 H new ATOM 0 HB3 TYR A 101 115.050 -1.383 -7.438 1.00 0.00 H new ATOM 0 HD1 TYR A 101 112.004 0.646 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 101 116.220 0.609 -7.693 1.00 0.00 H new ATOM 0 HE1 TYR A 101 112.067 3.086 -8.555 1.00 0.00 H new ATOM 0 HE2 TYR A 101 116.284 3.044 -7.949 1.00 0.00 H new ATOM 0 HH TYR A 101 113.534 4.857 -9.048 1.00 0.00 H new ATOM 1598 N PRO A 102 115.717 -2.910 -10.131 1.00 0.00 N ATOM 1599 CA PRO A 102 116.672 -3.970 -10.277 1.00 0.00 C ATOM 1600 C PRO A 102 117.783 -3.802 -9.252 1.00 0.00 C ATOM 1601 O PRO A 102 117.813 -2.813 -8.497 1.00 0.00 O ATOM 1602 CB PRO A 102 117.207 -3.746 -11.695 1.00 0.00 C ATOM 1603 CG PRO A 102 117.138 -2.268 -11.901 1.00 0.00 C ATOM 1604 CD PRO A 102 116.034 -1.757 -11.006 1.00 0.00 C ATOM 0 HA PRO A 102 116.258 -4.967 -10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 102 118.229 -4.112 -11.794 1.00 0.00 H new ATOM 0 HB3 PRO A 102 116.605 -4.277 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 102 118.089 -1.797 -11.650 1.00 0.00 H new ATOM 0 HG3 PRO A 102 116.931 -2.032 -12.945 1.00 0.00 H new ATOM 0 HD2 PRO A 102 116.359 -0.893 -10.426 1.00 0.00 H new ATOM 0 HD3 PRO A 102 115.165 -1.444 -11.584 1.00 0.00 H new ATOM 1612 N LEU A 103 118.669 -4.734 -9.209 1.00 0.00 N ATOM 1613 CA LEU A 103 119.793 -4.647 -8.340 1.00 0.00 C ATOM 1614 C LEU A 103 121.032 -4.494 -9.234 1.00 0.00 C ATOM 1615 O LEU A 103 121.683 -5.483 -9.576 1.00 0.00 O ATOM 1616 CB LEU A 103 119.875 -5.921 -7.469 1.00 0.00 C ATOM 1617 CG LEU A 103 120.505 -5.782 -6.065 1.00 0.00 C ATOM 1618 CD1 LEU A 103 121.935 -5.291 -6.107 1.00 0.00 C ATOM 1619 CD2 LEU A 103 119.659 -4.875 -5.198 1.00 0.00 C ATOM 0 H LEU A 103 118.636 -5.581 -9.776 1.00 0.00 H new ATOM 0 HA LEU A 103 119.717 -3.798 -7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 103 118.865 -6.312 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 103 120.443 -6.670 -8.021 1.00 0.00 H new ATOM 0 HG LEU A 103 120.531 -6.781 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 103 122.323 -5.214 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 103 122.544 -5.993 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 103 121.970 -4.312 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 103 120.114 -4.786 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 103 119.594 -3.889 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.658 -5.296 -5.099 1.00 0.00 H new ATOM 1631 N PRO A 104 121.379 -3.245 -9.627 1.00 0.00 N ATOM 1632 CA PRO A 104 122.484 -2.970 -10.543 1.00 0.00 C ATOM 1633 C PRO A 104 123.805 -2.869 -9.794 1.00 0.00 C ATOM 1634 O PRO A 104 124.589 -1.931 -9.977 1.00 0.00 O ATOM 1635 CB PRO A 104 122.103 -1.617 -11.173 1.00 0.00 C ATOM 1636 CG PRO A 104 120.988 -1.055 -10.332 1.00 0.00 C ATOM 1637 CD PRO A 104 120.760 -1.999 -9.179 1.00 0.00 C ATOM 0 HA PRO A 104 122.625 -3.758 -11.283 1.00 0.00 H new ATOM 0 HB2 PRO A 104 122.958 -0.941 -11.187 1.00 0.00 H new ATOM 0 HB3 PRO A 104 121.782 -1.747 -12.207 1.00 0.00 H new ATOM 0 HG2 PRO A 104 121.248 -0.062 -9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 104 120.079 -0.949 -10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 104 121.220 -1.630 -8.262 1.00 0.00 H new ATOM 0 HD3 PRO A 104 119.698 -2.131 -8.973 1.00 0.00 H new ATOM 1645 N PHE A 105 123.998 -3.821 -8.931 1.00 0.00 N ATOM 1646 CA PHE A 105 125.152 -3.979 -8.089 1.00 0.00 C ATOM 1647 C PHE A 105 125.199 -5.444 -7.742 1.00 0.00 C ATOM 1648 O PHE A 105 124.298 -6.215 -8.141 1.00 0.00 O ATOM 1649 CB PHE A 105 125.001 -3.180 -6.760 1.00 0.00 C ATOM 1650 CG PHE A 105 125.011 -1.677 -6.872 1.00 0.00 C ATOM 1651 CD1 PHE A 105 126.210 -0.988 -6.979 1.00 0.00 C ATOM 1652 CD2 PHE A 105 123.829 -0.955 -6.849 1.00 0.00 C ATOM 1653 CE1 PHE A 105 126.226 0.391 -7.065 1.00 0.00 C ATOM 1654 CE2 PHE A 105 123.842 0.422 -6.937 1.00 0.00 C ATOM 1655 CZ PHE A 105 125.040 1.096 -7.045 1.00 0.00 C ATOM 0 H PHE A 105 123.309 -4.559 -8.785 1.00 0.00 H new ATOM 0 HA PHE A 105 126.045 -3.619 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 105 124.066 -3.480 -6.286 1.00 0.00 H new ATOM 0 HB3 PHE A 105 125.808 -3.477 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 105 127.141 -1.535 -6.995 1.00 0.00 H new ATOM 0 HD2 PHE A 105 122.887 -1.476 -6.761 1.00 0.00 H new ATOM 0 HE1 PHE A 105 127.166 0.917 -7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 105 122.913 0.972 -6.921 1.00 0.00 H new ATOM 0 HZ PHE A 105 125.050 2.174 -7.114 1.00 0.00 H new ATOM 1665 N ASP A 106 126.200 -5.838 -7.034 1.00 0.00 N ATOM 1666 CA ASP A 106 126.260 -7.174 -6.525 1.00 0.00 C ATOM 1667 C ASP A 106 125.917 -7.104 -5.078 1.00 0.00 C ATOM 1668 O ASP A 106 126.458 -6.259 -4.348 1.00 0.00 O ATOM 1669 CB ASP A 106 127.616 -7.775 -6.700 1.00 0.00 C ATOM 1670 CG ASP A 106 127.715 -9.189 -6.196 1.00 0.00 C ATOM 1671 OD1 ASP A 106 127.406 -10.132 -6.943 1.00 0.00 O ATOM 1672 OD2 ASP A 106 128.116 -9.383 -5.054 1.00 0.00 O ATOM 0 H ASP A 106 126.998 -5.252 -6.790 1.00 0.00 H new ATOM 0 HA ASP A 106 125.563 -7.808 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 106 127.880 -7.755 -7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 106 128.348 -7.159 -6.177 1.00 0.00 H new ATOM 1677 N PRO A 107 125.038 -7.960 -4.621 1.00 0.00 N ATOM 1678 CA PRO A 107 124.510 -7.914 -3.300 1.00 0.00 C ATOM 1679 C PRO A 107 125.164 -8.964 -2.423 1.00 0.00 C ATOM 1680 O PRO A 107 124.783 -9.177 -1.273 1.00 0.00 O ATOM 1681 CB PRO A 107 123.042 -8.290 -3.578 1.00 0.00 C ATOM 1682 CG PRO A 107 123.044 -8.907 -4.969 1.00 0.00 C ATOM 1683 CD PRO A 107 124.467 -9.089 -5.304 1.00 0.00 C ATOM 0 HA PRO A 107 124.657 -6.967 -2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 107 122.669 -8.995 -2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 107 122.396 -7.413 -3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 107 122.511 -9.858 -4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 107 122.549 -8.256 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 107 124.861 -10.038 -4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 107 124.648 -9.060 -6.378 1.00 0.00 H new ATOM 1691 N ASP A 108 126.135 -9.622 -2.989 1.00 0.00 N ATOM 1692 CA ASP A 108 126.799 -10.665 -2.346 1.00 0.00 C ATOM 1693 C ASP A 108 128.058 -10.122 -1.731 1.00 0.00 C ATOM 1694 O ASP A 108 128.494 -10.560 -0.673 1.00 0.00 O ATOM 1695 CB ASP A 108 127.101 -11.795 -3.326 1.00 0.00 C ATOM 1696 CG ASP A 108 127.946 -12.881 -2.726 1.00 0.00 C ATOM 1697 OD1 ASP A 108 127.398 -13.773 -2.041 1.00 0.00 O ATOM 1698 OD2 ASP A 108 129.171 -12.881 -2.954 1.00 0.00 O ATOM 0 H ASP A 108 126.477 -9.427 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 108 126.167 -11.082 -1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 108 126.163 -12.224 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 108 127.611 -11.386 -4.198 1.00 0.00 H new ATOM 1703 N ASP A 109 128.598 -9.135 -2.422 1.00 0.00 N ATOM 1704 CA ASP A 109 129.813 -8.406 -2.077 1.00 0.00 C ATOM 1705 C ASP A 109 129.831 -8.006 -0.600 1.00 0.00 C ATOM 1706 O ASP A 109 128.850 -7.452 -0.108 1.00 0.00 O ATOM 1707 CB ASP A 109 129.907 -7.155 -2.964 1.00 0.00 C ATOM 1708 CG ASP A 109 131.238 -6.451 -2.876 1.00 0.00 C ATOM 1709 OD1 ASP A 109 132.191 -6.912 -3.529 1.00 0.00 O ATOM 1710 OD2 ASP A 109 131.347 -5.404 -2.209 1.00 0.00 O ATOM 0 H ASP A 109 128.179 -8.799 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 109 130.671 -9.056 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 109 129.724 -7.440 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 109 129.118 -6.459 -2.681 1.00 0.00 H new ATOM 1715 N PRO A 110 130.969 -8.309 0.099 1.00 0.00 N ATOM 1716 CA PRO A 110 131.234 -8.079 1.528 1.00 0.00 C ATOM 1717 C PRO A 110 130.318 -7.102 2.272 1.00 0.00 C ATOM 1718 O PRO A 110 129.268 -7.485 2.804 1.00 0.00 O ATOM 1719 CB PRO A 110 132.616 -7.493 1.385 1.00 0.00 C ATOM 1720 CG PRO A 110 133.281 -8.469 0.494 1.00 0.00 C ATOM 1721 CD PRO A 110 132.195 -8.903 -0.491 1.00 0.00 C ATOM 0 HA PRO A 110 131.091 -8.978 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 110 132.591 -6.495 0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 110 133.123 -7.408 2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 110 134.128 -8.019 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 110 133.667 -9.319 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 110 132.385 -8.526 -1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 110 132.125 -9.988 -0.565 1.00 0.00 H new ATOM 1729 N ASN A 111 130.776 -5.863 2.335 1.00 0.00 N ATOM 1730 CA ASN A 111 130.081 -4.738 2.883 1.00 0.00 C ATOM 1731 C ASN A 111 129.846 -4.868 4.365 1.00 0.00 C ATOM 1732 O ASN A 111 128.832 -5.417 4.830 1.00 0.00 O ATOM 1733 CB ASN A 111 128.824 -4.336 2.107 1.00 0.00 C ATOM 1734 CG ASN A 111 129.084 -3.940 0.651 1.00 0.00 C ATOM 1735 OD1 ASN A 111 130.004 -4.601 0.029 1.00 0.00 O flip ATOM 1736 ND2 ASN A 111 128.418 -3.068 0.094 1.00 0.00 N flip ATOM 0 H ASN A 111 131.699 -5.614 1.980 1.00 0.00 H new ATOM 0 HA ASN A 111 130.760 -3.896 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 111 128.118 -5.167 2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 111 128.346 -3.501 2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 111 127.699 -2.565 0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 111 128.585 -2.848 -0.888 1.00 0.00 H new ATOM 1743 N THR A 112 130.818 -4.403 5.098 1.00 0.00 N ATOM 1744 CA THR A 112 130.784 -4.394 6.530 1.00 0.00 C ATOM 1745 C THR A 112 130.091 -3.090 7.007 1.00 0.00 C ATOM 1746 O THR A 112 129.290 -2.501 6.250 1.00 0.00 O ATOM 1747 CB THR A 112 132.236 -4.533 7.104 1.00 0.00 C ATOM 1748 OG1 THR A 112 132.221 -4.705 8.532 1.00 0.00 O ATOM 1749 CG2 THR A 112 133.112 -3.330 6.736 1.00 0.00 C ATOM 0 H THR A 112 131.674 -4.011 4.706 1.00 0.00 H new ATOM 0 HA THR A 112 130.210 -5.243 6.902 1.00 0.00 H new ATOM 0 HB THR A 112 132.668 -5.424 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 112 133.140 -4.791 8.861 1.00 0.00 H new ATOM 0 HG21 THR A 112 134.110 -3.466 7.153 1.00 0.00 H new ATOM 0 HG22 THR A 112 133.180 -3.248 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 112 132.670 -2.420 7.142 1.00 0.00 H new ATOM 1757 N SER A 113 130.321 -2.678 8.224 1.00 0.00 N ATOM 1758 CA SER A 113 129.756 -1.481 8.721 1.00 0.00 C ATOM 1759 C SER A 113 130.395 -0.258 8.041 1.00 0.00 C ATOM 1760 O SER A 113 131.535 0.107 8.331 1.00 0.00 O ATOM 1761 CB SER A 113 129.951 -1.419 10.212 1.00 0.00 C ATOM 1762 OG SER A 113 129.563 -2.652 10.824 1.00 0.00 O ATOM 0 H SER A 113 130.910 -3.175 8.892 1.00 0.00 H new ATOM 0 HA SER A 113 128.689 -1.469 8.498 1.00 0.00 H new ATOM 0 HB2 SER A 113 130.996 -1.208 10.439 1.00 0.00 H new ATOM 0 HB3 SER A 113 129.363 -0.600 10.627 1.00 0.00 H new ATOM 0 HG SER A 113 129.065 -2.466 11.647 1.00 0.00 H new ATOM 1768 N LEU A 114 129.681 0.314 7.090 1.00 0.00 N ATOM 1769 CA LEU A 114 130.130 1.514 6.428 1.00 0.00 C ATOM 1770 C LEU A 114 129.870 2.671 7.347 1.00 0.00 C ATOM 1771 O LEU A 114 128.736 3.111 7.491 1.00 0.00 O ATOM 1772 CB LEU A 114 129.361 1.717 5.121 1.00 0.00 C ATOM 1773 CG LEU A 114 129.324 0.524 4.177 1.00 0.00 C ATOM 1774 CD1 LEU A 114 128.657 0.896 2.872 1.00 0.00 C ATOM 1775 CD2 LEU A 114 130.714 -0.024 3.957 1.00 0.00 C ATOM 0 H LEU A 114 128.783 -0.039 6.760 1.00 0.00 H new ATOM 0 HA LEU A 114 131.192 1.437 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 114 128.335 1.994 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 114 129.801 2.561 4.591 1.00 0.00 H new ATOM 0 HG LEU A 114 128.728 -0.265 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 114 128.641 0.029 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 114 127.636 1.223 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 114 129.213 1.704 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 114 130.666 -0.876 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 114 131.346 0.750 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 114 131.135 -0.342 4.911 1.00 0.00 H new ATOM 1787 N VAL A 115 130.896 3.169 7.938 1.00 0.00 N ATOM 1788 CA VAL A 115 130.764 4.186 8.937 1.00 0.00 C ATOM 1789 C VAL A 115 131.411 5.474 8.502 1.00 0.00 C ATOM 1790 O VAL A 115 132.515 5.480 7.924 1.00 0.00 O ATOM 1791 CB VAL A 115 131.308 3.729 10.333 1.00 0.00 C ATOM 1792 CG1 VAL A 115 130.566 2.492 10.813 1.00 0.00 C ATOM 1793 CG2 VAL A 115 132.811 3.462 10.305 1.00 0.00 C ATOM 0 H VAL A 115 131.857 2.887 7.747 1.00 0.00 H new ATOM 0 HA VAL A 115 129.695 4.366 9.054 1.00 0.00 H new ATOM 0 HB VAL A 115 131.133 4.548 11.031 1.00 0.00 H new ATOM 0 HG11 VAL A 115 130.956 2.188 11.784 1.00 0.00 H new ATOM 0 HG12 VAL A 115 129.503 2.717 10.903 1.00 0.00 H new ATOM 0 HG13 VAL A 115 130.706 1.683 10.096 1.00 0.00 H new ATOM 0 HG21 VAL A 115 133.143 3.148 11.294 1.00 0.00 H new ATOM 0 HG22 VAL A 115 133.027 2.675 9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 115 133.337 4.372 10.018 1.00 0.00 H new ATOM 1803 N THR A 116 130.697 6.545 8.667 1.00 0.00 N ATOM 1804 CA THR A 116 131.249 7.821 8.407 1.00 0.00 C ATOM 1805 C THR A 116 132.080 8.188 9.653 1.00 0.00 C ATOM 1806 O THR A 116 131.705 7.842 10.793 1.00 0.00 O ATOM 1807 CB THR A 116 130.134 8.877 8.099 1.00 0.00 C ATOM 1808 OG1 THR A 116 130.700 10.069 7.546 1.00 0.00 O ATOM 1809 CG2 THR A 116 129.352 9.240 9.340 1.00 0.00 C ATOM 0 H THR A 116 129.727 6.551 8.982 1.00 0.00 H new ATOM 0 HA THR A 116 131.879 7.810 7.518 1.00 0.00 H new ATOM 0 HB THR A 116 129.458 8.420 7.376 1.00 0.00 H new ATOM 0 HG1 THR A 116 129.986 10.714 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 116 128.588 9.975 9.087 1.00 0.00 H new ATOM 0 HG22 THR A 116 128.876 8.347 9.745 1.00 0.00 H new ATOM 0 HG23 THR A 116 130.027 9.661 10.085 1.00 0.00 H new ATOM 1817 N SER A 117 133.193 8.812 9.448 1.00 0.00 N ATOM 1818 CA SER A 117 134.100 9.080 10.527 1.00 0.00 C ATOM 1819 C SER A 117 133.761 10.364 11.252 1.00 0.00 C ATOM 1820 O SER A 117 134.205 11.459 10.879 1.00 0.00 O ATOM 1821 CB SER A 117 135.545 9.038 10.026 1.00 0.00 C ATOM 1822 OG SER A 117 135.683 9.806 8.824 1.00 0.00 O ATOM 0 H SER A 117 133.502 9.150 8.537 1.00 0.00 H new ATOM 0 HA SER A 117 133.990 8.292 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 117 136.213 9.429 10.793 1.00 0.00 H new ATOM 0 HB3 SER A 117 135.842 8.006 9.841 1.00 0.00 H new ATOM 0 HG SER A 117 135.252 10.678 8.942 1.00 0.00 H new ATOM 1828 N VAL A 118 132.962 10.220 12.259 1.00 0.00 N ATOM 1829 CA VAL A 118 132.548 11.301 13.087 1.00 0.00 C ATOM 1830 C VAL A 118 133.290 11.218 14.417 1.00 0.00 C ATOM 1831 O VAL A 118 132.980 10.408 15.300 1.00 0.00 O ATOM 1832 CB VAL A 118 131.003 11.320 13.262 1.00 0.00 C ATOM 1833 CG1 VAL A 118 130.477 9.957 13.705 1.00 0.00 C ATOM 1834 CG2 VAL A 118 130.579 12.426 14.228 1.00 0.00 C ATOM 0 H VAL A 118 132.569 9.320 12.534 1.00 0.00 H new ATOM 0 HA VAL A 118 132.803 12.248 12.611 1.00 0.00 H new ATOM 0 HB VAL A 118 130.557 11.537 12.291 1.00 0.00 H new ATOM 0 HG11 VAL A 118 129.394 10.004 13.818 1.00 0.00 H new ATOM 0 HG12 VAL A 118 130.731 9.208 12.955 1.00 0.00 H new ATOM 0 HG13 VAL A 118 130.930 9.685 14.658 1.00 0.00 H new ATOM 0 HG21 VAL A 118 129.494 12.420 14.335 1.00 0.00 H new ATOM 0 HG22 VAL A 118 131.040 12.256 15.201 1.00 0.00 H new ATOM 0 HG23 VAL A 118 130.900 13.392 13.838 1.00 0.00 H new ATOM 1844 N ALA A 119 134.286 12.025 14.547 1.00 0.00 N ATOM 1845 CA ALA A 119 135.122 11.959 15.692 1.00 0.00 C ATOM 1846 C ALA A 119 135.413 13.334 16.234 1.00 0.00 C ATOM 1847 O ALA A 119 136.453 13.918 15.966 1.00 0.00 O ATOM 1848 CB ALA A 119 136.396 11.212 15.354 1.00 0.00 C ATOM 0 H ALA A 119 134.541 12.743 13.869 1.00 0.00 H new ATOM 0 HA ALA A 119 134.600 11.412 16.478 1.00 0.00 H new ATOM 0 HB1 ALA A 119 137.035 11.164 16.236 1.00 0.00 H new ATOM 0 HB2 ALA A 119 136.150 10.201 15.029 1.00 0.00 H new ATOM 0 HB3 ALA A 119 136.922 11.733 14.554 1.00 0.00 H new ATOM 1854 N ILE A 120 134.473 13.859 16.959 1.00 0.00 N ATOM 1855 CA ILE A 120 134.638 15.134 17.634 1.00 0.00 C ATOM 1856 C ILE A 120 134.943 14.833 19.104 1.00 0.00 C ATOM 1857 O ILE A 120 135.443 15.664 19.853 1.00 0.00 O ATOM 1858 CB ILE A 120 133.331 15.993 17.512 1.00 0.00 C ATOM 1859 CG1 ILE A 120 132.921 16.156 16.031 1.00 0.00 C ATOM 1860 CG2 ILE A 120 133.484 17.367 18.172 1.00 0.00 C ATOM 1861 CD1 ILE A 120 133.970 16.830 15.158 1.00 0.00 C ATOM 0 H ILE A 120 133.563 13.423 17.107 1.00 0.00 H new ATOM 0 HA ILE A 120 135.448 15.705 17.181 1.00 0.00 H new ATOM 0 HB ILE A 120 132.544 15.457 18.042 1.00 0.00 H new ATOM 0 HG12 ILE A 120 132.700 15.172 15.618 1.00 0.00 H new ATOM 0 HG13 ILE A 120 131.999 16.736 15.984 1.00 0.00 H new ATOM 0 HG21 ILE A 120 132.556 17.928 18.064 1.00 0.00 H new ATOM 0 HG22 ILE A 120 133.709 17.239 19.231 1.00 0.00 H new ATOM 0 HG23 ILE A 120 134.296 17.913 17.692 1.00 0.00 H new ATOM 0 HD11 ILE A 120 133.600 16.903 14.135 1.00 0.00 H new ATOM 0 HD12 ILE A 120 134.176 17.829 15.542 1.00 0.00 H new ATOM 0 HD13 ILE A 120 134.887 16.241 15.170 1.00 0.00 H new ATOM 1873 N LEU A 121 134.697 13.595 19.467 1.00 0.00 N ATOM 1874 CA LEU A 121 134.855 13.134 20.840 1.00 0.00 C ATOM 1875 C LEU A 121 136.184 12.450 21.023 1.00 0.00 C ATOM 1876 O LEU A 121 136.700 12.316 22.130 1.00 0.00 O ATOM 1877 CB LEU A 121 133.680 12.192 21.250 1.00 0.00 C ATOM 1878 CG LEU A 121 133.591 10.719 20.692 1.00 0.00 C ATOM 1879 CD1 LEU A 121 133.720 10.606 19.183 1.00 0.00 C ATOM 1880 CD2 LEU A 121 134.519 9.736 21.412 1.00 0.00 C ATOM 0 H LEU A 121 134.380 12.872 18.821 1.00 0.00 H new ATOM 0 HA LEU A 121 134.830 14.005 21.495 1.00 0.00 H new ATOM 0 HB2 LEU A 121 133.691 12.122 22.338 1.00 0.00 H new ATOM 0 HB3 LEU A 121 132.754 12.696 20.972 1.00 0.00 H new ATOM 0 HG LEU A 121 132.568 10.421 20.924 1.00 0.00 H new ATOM 0 HD11 LEU A 121 133.647 9.559 18.889 1.00 0.00 H new ATOM 0 HD12 LEU A 121 132.921 11.173 18.706 1.00 0.00 H new ATOM 0 HD13 LEU A 121 134.685 11.005 18.869 1.00 0.00 H new ATOM 0 HD21 LEU A 121 134.406 8.743 20.977 1.00 0.00 H new ATOM 0 HD22 LEU A 121 135.553 10.064 21.302 1.00 0.00 H new ATOM 0 HD23 LEU A 121 134.260 9.700 22.470 1.00 0.00 H new ATOM 1892 N ASP A 122 136.725 12.046 19.922 1.00 0.00 N ATOM 1893 CA ASP A 122 137.919 11.253 19.876 1.00 0.00 C ATOM 1894 C ASP A 122 139.112 12.201 19.849 1.00 0.00 C ATOM 1895 O ASP A 122 138.956 13.383 20.178 1.00 0.00 O ATOM 1896 CB ASP A 122 137.867 10.374 18.612 1.00 0.00 C ATOM 1897 CG ASP A 122 138.806 9.186 18.644 1.00 0.00 C ATOM 1898 OD1 ASP A 122 139.957 9.317 18.209 1.00 0.00 O ATOM 1899 OD2 ASP A 122 138.391 8.108 19.103 1.00 0.00 O ATOM 0 H ASP A 122 136.342 12.262 19.002 1.00 0.00 H new ATOM 0 HA ASP A 122 138.009 10.601 20.745 1.00 0.00 H new ATOM 0 HB2 ASP A 122 136.847 10.014 18.475 1.00 0.00 H new ATOM 0 HB3 ASP A 122 138.107 10.989 17.745 1.00 0.00 H new ATOM 1904 N LYS A 123 140.263 11.701 19.419 1.00 0.00 N ATOM 1905 CA LYS A 123 141.550 12.388 19.364 1.00 0.00 C ATOM 1906 C LYS A 123 141.807 13.299 20.579 1.00 0.00 C ATOM 1907 O LYS A 123 142.400 14.370 20.461 1.00 0.00 O ATOM 1908 CB LYS A 123 141.815 13.093 17.993 1.00 0.00 C ATOM 1909 CG LYS A 123 141.038 14.397 17.673 1.00 0.00 C ATOM 1910 CD LYS A 123 139.565 14.182 17.331 1.00 0.00 C ATOM 1911 CE LYS A 123 138.847 15.506 17.153 1.00 0.00 C ATOM 1912 NZ LYS A 123 138.902 16.345 18.373 1.00 0.00 N ATOM 0 H LYS A 123 140.328 10.742 19.077 1.00 0.00 H new ATOM 0 HA LYS A 123 142.301 11.601 19.433 1.00 0.00 H new ATOM 0 HB2 LYS A 123 142.880 13.318 17.936 1.00 0.00 H new ATOM 0 HB3 LYS A 123 141.598 12.375 17.203 1.00 0.00 H new ATOM 0 HG2 LYS A 123 141.106 15.067 18.530 1.00 0.00 H new ATOM 0 HG3 LYS A 123 141.524 14.900 16.837 1.00 0.00 H new ATOM 0 HD2 LYS A 123 139.483 13.594 16.417 1.00 0.00 H new ATOM 0 HD3 LYS A 123 139.085 13.608 18.123 1.00 0.00 H new ATOM 0 HE2 LYS A 123 139.294 16.050 16.321 1.00 0.00 H new ATOM 0 HE3 LYS A 123 137.806 15.319 16.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 138.177 17.089 18.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 138.725 15.753 19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 139.842 16.783 18.451 1.00 0.00 H new ATOM 1926 N GLU A 124 141.382 12.826 21.738 1.00 0.00 N ATOM 1927 CA GLU A 124 141.450 13.566 22.979 1.00 0.00 C ATOM 1928 C GLU A 124 142.889 13.632 23.503 1.00 0.00 C ATOM 1929 O GLU A 124 143.468 12.597 23.872 1.00 0.00 O ATOM 1930 CB GLU A 124 140.553 12.890 24.024 1.00 0.00 C ATOM 1931 CG GLU A 124 140.525 13.591 25.373 1.00 0.00 C ATOM 1932 CD GLU A 124 139.804 12.793 26.422 1.00 0.00 C ATOM 1933 OE1 GLU A 124 140.368 11.775 26.892 1.00 0.00 O ATOM 1934 OE2 GLU A 124 138.686 13.174 26.824 1.00 0.00 O ATOM 0 H GLU A 124 140.972 11.898 21.841 1.00 0.00 H new ATOM 0 HA GLU A 124 141.106 14.584 22.794 1.00 0.00 H new ATOM 0 HB2 GLU A 124 139.537 12.838 23.634 1.00 0.00 H new ATOM 0 HB3 GLU A 124 140.892 11.864 24.168 1.00 0.00 H new ATOM 0 HG2 GLU A 124 141.547 13.778 25.703 1.00 0.00 H new ATOM 0 HG3 GLU A 124 140.042 14.562 25.264 1.00 0.00 H new ATOM 1941 N PRO A 125 143.510 14.818 23.491 1.00 0.00 N ATOM 1942 CA PRO A 125 144.812 15.019 24.056 1.00 0.00 C ATOM 1943 C PRO A 125 144.681 15.502 25.510 1.00 0.00 C ATOM 1944 O PRO A 125 144.288 14.697 26.370 1.00 0.00 O ATOM 1945 CB PRO A 125 145.425 16.118 23.162 1.00 0.00 C ATOM 1946 CG PRO A 125 144.274 16.717 22.392 1.00 0.00 C ATOM 1947 CD PRO A 125 143.013 16.057 22.891 1.00 0.00 C ATOM 1948 OXT PRO A 125 144.926 16.686 25.772 1.00 0.00 O ATOM 0 HA PRO A 125 145.421 14.115 24.084 1.00 0.00 H new ATOM 0 HB2 PRO A 125 145.928 16.875 23.764 1.00 0.00 H new ATOM 0 HB3 PRO A 125 146.171 15.700 22.486 1.00 0.00 H new ATOM 0 HG2 PRO A 125 144.230 17.796 22.543 1.00 0.00 H new ATOM 0 HG3 PRO A 125 144.398 16.550 21.322 1.00 0.00 H new ATOM 0 HD2 PRO A 125 142.492 16.679 23.620 1.00 0.00 H new ATOM 0 HD3 PRO A 125 142.311 15.861 22.080 1.00 0.00 H new TER 1956 PRO A 125 ATOM 1957 N ARG B 151 125.201 -7.218 15.970 1.00 0.00 N ATOM 1958 CA ARG B 151 124.747 -6.276 14.929 1.00 0.00 C ATOM 1959 C ARG B 151 125.286 -4.861 15.241 1.00 0.00 C ATOM 1960 O ARG B 151 124.563 -4.001 15.742 1.00 0.00 O ATOM 1961 CB ARG B 151 123.199 -6.283 14.883 1.00 0.00 C ATOM 1962 CG ARG B 151 122.534 -5.436 13.799 1.00 0.00 C ATOM 1963 CD ARG B 151 122.787 -5.950 12.381 1.00 0.00 C ATOM 1964 NE ARG B 151 122.413 -7.364 12.212 1.00 0.00 N ATOM 1965 CZ ARG B 151 121.261 -7.835 11.681 1.00 0.00 C ATOM 1966 NH1 ARG B 151 120.209 -7.030 11.478 1.00 0.00 N ATOM 1967 NH2 ARG B 151 121.163 -9.128 11.403 1.00 0.00 N ATOM 0 HA ARG B 151 125.128 -6.579 13.954 1.00 0.00 H new ATOM 0 HB2 ARG B 151 122.868 -7.314 14.758 1.00 0.00 H new ATOM 0 HB3 ARG B 151 122.830 -5.945 15.851 1.00 0.00 H new ATOM 0 HG2 ARG B 151 121.460 -5.407 13.980 1.00 0.00 H new ATOM 0 HG3 ARG B 151 122.898 -4.411 13.876 1.00 0.00 H new ATOM 0 HD2 ARG B 151 122.223 -5.343 11.673 1.00 0.00 H new ATOM 0 HD3 ARG B 151 123.842 -5.826 12.137 1.00 0.00 H new ATOM 0 HE ARG B 151 123.091 -8.058 12.527 1.00 0.00 H new ATOM 0 HH11 ARG B 151 120.268 -6.042 11.725 1.00 0.00 H new ATOM 0 HH12 ARG B 151 119.350 -7.405 11.076 1.00 0.00 H new ATOM 0 HH21 ARG B 151 121.949 -9.751 11.590 1.00 0.00 H new ATOM 0 HH22 ARG B 151 120.302 -9.500 11.002 1.00 0.00 H new ATOM 1983 N SER B 152 126.557 -4.630 14.959 1.00 0.00 N ATOM 1984 CA SER B 152 127.174 -3.336 15.191 1.00 0.00 C ATOM 1985 C SER B 152 127.120 -2.550 13.883 1.00 0.00 C ATOM 1986 O SER B 152 128.128 -2.400 13.183 1.00 0.00 O ATOM 1987 CB SER B 152 128.632 -3.524 15.682 1.00 0.00 C ATOM 1988 OG SER B 152 129.246 -2.288 16.068 1.00 0.00 O ATOM 0 H SER B 152 127.186 -5.329 14.565 1.00 0.00 H new ATOM 0 HA SER B 152 126.642 -2.785 15.966 1.00 0.00 H new ATOM 0 HB2 SER B 152 128.641 -4.210 16.529 1.00 0.00 H new ATOM 0 HB3 SER B 152 129.221 -3.987 14.891 1.00 0.00 H new ATOM 0 HG SER B 152 130.162 -2.459 16.371 1.00 0.00 H new ATOM 1994 N SER B 153 125.926 -2.092 13.548 1.00 0.00 N ATOM 1995 CA SER B 153 125.687 -1.409 12.301 1.00 0.00 C ATOM 1996 C SER B 153 126.370 -0.027 12.194 1.00 0.00 C ATOM 1997 O SER B 153 127.493 0.051 11.702 1.00 0.00 O ATOM 1998 CB SER B 153 124.183 -1.316 12.021 1.00 0.00 C ATOM 1999 OG SER B 153 123.594 -2.607 11.974 1.00 0.00 O ATOM 0 H SER B 153 125.099 -2.186 14.137 1.00 0.00 H new ATOM 0 HA SER B 153 126.158 -2.016 11.528 1.00 0.00 H new ATOM 0 HB2 SER B 153 123.701 -0.720 12.796 1.00 0.00 H new ATOM 0 HB3 SER B 153 124.017 -0.802 11.074 1.00 0.00 H new ATOM 0 HG SER B 153 122.740 -2.560 11.495 1.00 0.00 H new ATOM 2005 N ARG B 154 125.688 1.056 12.676 1.00 0.00 N ATOM 2006 CA ARG B 154 126.132 2.481 12.487 1.00 0.00 C ATOM 2007 C ARG B 154 126.631 2.750 11.045 1.00 0.00 C ATOM 2008 O ARG B 154 127.502 3.584 10.793 1.00 0.00 O ATOM 2009 CB ARG B 154 127.123 2.998 13.578 1.00 0.00 C ATOM 2010 CG ARG B 154 128.422 2.220 13.746 1.00 0.00 C ATOM 2011 CD ARG B 154 129.364 2.920 14.716 1.00 0.00 C ATOM 2012 NE ARG B 154 129.767 4.253 14.225 1.00 0.00 N ATOM 2013 CZ ARG B 154 130.573 5.117 14.875 1.00 0.00 C ATOM 2014 NH1 ARG B 154 130.977 4.861 16.124 1.00 0.00 N ATOM 2015 NH2 ARG B 154 130.928 6.255 14.281 1.00 0.00 N ATOM 0 H ARG B 154 124.819 0.971 13.204 1.00 0.00 H new ATOM 0 HA ARG B 154 125.234 3.082 12.632 1.00 0.00 H new ATOM 0 HB2 ARG B 154 127.374 4.033 13.347 1.00 0.00 H new ATOM 0 HB3 ARG B 154 126.603 3.002 14.536 1.00 0.00 H new ATOM 0 HG2 ARG B 154 128.203 1.216 14.109 1.00 0.00 H new ATOM 0 HG3 ARG B 154 128.910 2.109 12.778 1.00 0.00 H new ATOM 0 HD2 ARG B 154 128.877 3.022 15.686 1.00 0.00 H new ATOM 0 HD3 ARG B 154 130.251 2.305 14.868 1.00 0.00 H new ATOM 0 HE ARG B 154 129.405 4.545 13.317 1.00 0.00 H new ATOM 0 HH11 ARG B 154 130.676 4.007 16.593 1.00 0.00 H new ATOM 0 HH12 ARG B 154 131.587 5.520 16.608 1.00 0.00 H new ATOM 0 HH21 ARG B 154 130.591 6.467 13.342 1.00 0.00 H new ATOM 0 HH22 ARG B 154 131.537 6.914 14.765 1.00 0.00 H new ATOM 2029 N THR B 155 126.013 2.046 10.135 1.00 0.00 N ATOM 2030 CA THR B 155 126.316 2.012 8.748 1.00 0.00 C ATOM 2031 C THR B 155 125.662 3.177 7.986 1.00 0.00 C ATOM 2032 O THR B 155 125.109 4.121 8.581 1.00 0.00 O ATOM 2033 CB THR B 155 125.695 0.706 8.235 1.00 0.00 C ATOM 2034 OG1 THR B 155 124.494 0.425 8.982 1.00 0.00 O ATOM 2035 CG2 THR B 155 126.630 -0.448 8.370 1.00 0.00 C ATOM 0 H THR B 155 125.228 1.440 10.372 1.00 0.00 H new ATOM 0 HA THR B 155 127.393 2.084 8.596 1.00 0.00 H new ATOM 0 HB THR B 155 125.472 0.838 7.176 1.00 0.00 H new ATOM 0 HG1 THR B 155 123.941 -0.214 8.485 1.00 0.00 H new ATOM 0 HG21 THR B 155 126.149 -1.352 7.995 1.00 0.00 H new ATOM 0 HG22 THR B 155 127.535 -0.253 7.794 1.00 0.00 H new ATOM 0 HG23 THR B 155 126.890 -0.585 9.420 1.00 0.00 H new ATOM 2043 N ARG B 156 125.758 3.092 6.685 1.00 0.00 N ATOM 2044 CA ARG B 156 125.081 3.929 5.725 1.00 0.00 C ATOM 2045 C ARG B 156 124.975 3.030 4.521 1.00 0.00 C ATOM 2046 O ARG B 156 125.872 2.177 4.386 1.00 0.00 O ATOM 2047 CB ARG B 156 125.891 5.193 5.404 1.00 0.00 C ATOM 2048 CG ARG B 156 127.233 4.964 4.726 1.00 0.00 C ATOM 2049 CD ARG B 156 127.901 6.281 4.389 1.00 0.00 C ATOM 2050 NE ARG B 156 127.038 7.129 3.547 1.00 0.00 N ATOM 2051 CZ ARG B 156 127.464 7.934 2.574 1.00 0.00 C ATOM 2052 NH1 ARG B 156 128.725 7.901 2.169 1.00 0.00 N ATOM 2053 NH2 ARG B 156 126.613 8.740 1.978 1.00 0.00 N ATOM 0 H ARG B 156 126.349 2.391 6.237 1.00 0.00 H new ATOM 0 HA ARG B 156 124.119 4.296 6.081 1.00 0.00 H new ATOM 0 HB2 ARG B 156 125.287 5.836 4.764 1.00 0.00 H new ATOM 0 HB3 ARG B 156 126.062 5.738 6.333 1.00 0.00 H new ATOM 0 HG2 ARG B 156 127.880 4.380 5.380 1.00 0.00 H new ATOM 0 HG3 ARG B 156 127.090 4.381 3.816 1.00 0.00 H new ATOM 0 HD2 ARG B 156 128.146 6.811 5.309 1.00 0.00 H new ATOM 0 HD3 ARG B 156 128.841 6.091 3.871 1.00 0.00 H new ATOM 0 HE ARG B 156 126.034 7.097 3.723 1.00 0.00 H new ATOM 0 HH11 ARG B 156 129.383 7.254 2.603 1.00 0.00 H new ATOM 0 HH12 ARG B 156 129.038 8.523 1.423 1.00 0.00 H new ATOM 0 HH21 ARG B 156 125.633 8.747 2.261 1.00 0.00 H new ATOM 0 HH22 ARG B 156 126.933 9.359 1.233 1.00 0.00 H new ATOM 2067 N ARG B 157 123.891 3.115 3.688 1.00 0.00 N ATOM 2068 CA ARG B 157 123.694 2.190 2.549 1.00 0.00 C ATOM 2069 C ARG B 157 123.298 0.788 3.045 1.00 0.00 C ATOM 2070 O ARG B 157 122.256 0.279 2.704 1.00 0.00 O ATOM 2071 CB ARG B 157 124.939 2.104 1.621 1.00 0.00 C ATOM 2072 CG ARG B 157 125.254 3.364 0.824 1.00 0.00 C ATOM 2073 CD ARG B 157 124.230 3.588 -0.272 1.00 0.00 C ATOM 2074 NE ARG B 157 124.185 2.443 -1.205 1.00 0.00 N ATOM 2075 CZ ARG B 157 123.361 2.324 -2.256 1.00 0.00 C ATOM 2076 NH1 ARG B 157 122.470 3.269 -2.532 1.00 0.00 N ATOM 2077 NH2 ARG B 157 123.429 1.249 -3.025 1.00 0.00 N ATOM 0 H ARG B 157 123.153 3.811 3.791 1.00 0.00 H new ATOM 0 HA ARG B 157 122.879 2.601 1.953 1.00 0.00 H new ATOM 0 HB2 ARG B 157 125.808 1.854 2.230 1.00 0.00 H new ATOM 0 HB3 ARG B 157 124.793 1.281 0.922 1.00 0.00 H new ATOM 0 HG2 ARG B 157 125.271 4.225 1.492 1.00 0.00 H new ATOM 0 HG3 ARG B 157 126.248 3.281 0.385 1.00 0.00 H new ATOM 0 HD2 ARG B 157 123.246 3.738 0.172 1.00 0.00 H new ATOM 0 HD3 ARG B 157 124.474 4.498 -0.821 1.00 0.00 H new ATOM 0 HE ARG B 157 124.837 1.677 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG B 157 122.406 4.098 -1.941 1.00 0.00 H new ATOM 0 HH12 ARG B 157 121.849 3.166 -3.335 1.00 0.00 H new ATOM 0 HH21 ARG B 157 124.106 0.515 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG B 157 122.804 1.154 -3.826 1.00 0.00 H new ATOM 2091 N GLU B 158 124.136 0.223 3.857 1.00 0.00 N ATOM 2092 CA GLU B 158 123.991 -1.095 4.399 1.00 0.00 C ATOM 2093 C GLU B 158 123.036 -1.161 5.587 1.00 0.00 C ATOM 2094 O GLU B 158 123.474 -1.090 6.758 1.00 0.00 O ATOM 2095 CB GLU B 158 125.368 -1.595 4.821 1.00 0.00 C ATOM 2096 CG GLU B 158 126.257 -1.954 3.663 1.00 0.00 C ATOM 2097 CD GLU B 158 125.649 -3.066 2.875 1.00 0.00 C ATOM 2098 OE1 GLU B 158 125.629 -4.199 3.378 1.00 0.00 O ATOM 2099 OE2 GLU B 158 125.113 -2.831 1.775 1.00 0.00 O ATOM 0 H GLU B 158 124.984 0.692 4.177 1.00 0.00 H new ATOM 0 HA GLU B 158 123.557 -1.725 3.622 1.00 0.00 H new ATOM 0 HB2 GLU B 158 125.857 -0.826 5.419 1.00 0.00 H new ATOM 0 HB3 GLU B 158 125.248 -2.469 5.461 1.00 0.00 H new ATOM 0 HG2 GLU B 158 126.404 -1.083 3.024 1.00 0.00 H new ATOM 0 HG3 GLU B 158 127.240 -2.252 4.028 1.00 0.00 H new ATOM 2106 N THR B 159 121.761 -1.299 5.328 1.00 0.00 N ATOM 2107 CA THR B 159 120.836 -1.487 6.411 1.00 0.00 C ATOM 2108 C THR B 159 120.513 -2.971 6.490 1.00 0.00 C ATOM 2109 O THR B 159 119.674 -3.480 5.745 1.00 0.00 O ATOM 2110 CB THR B 159 119.518 -0.699 6.232 1.00 0.00 C ATOM 2111 OG1 THR B 159 119.767 0.495 5.488 1.00 0.00 O ATOM 2112 CG2 THR B 159 118.940 -0.306 7.605 1.00 0.00 C ATOM 0 H THR B 159 121.347 -1.285 4.396 1.00 0.00 H new ATOM 0 HA THR B 159 121.305 -1.114 7.321 1.00 0.00 H new ATOM 0 HB THR B 159 118.807 -1.333 5.702 1.00 0.00 H new ATOM 0 HG1 THR B 159 120.683 0.800 5.657 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.012 0.248 7.464 1.00 0.00 H new ATOM 0 HG22 THR B 159 118.740 -1.206 8.187 1.00 0.00 H new ATOM 0 HG23 THR B 159 119.658 0.318 8.137 1.00 0.00 H new ATOM 2120 N GLN B 160 121.236 -3.675 7.301 1.00 0.00 N ATOM 2121 CA GLN B 160 120.955 -5.063 7.521 1.00 0.00 C ATOM 2122 C GLN B 160 119.855 -5.159 8.540 1.00 0.00 C ATOM 2123 O GLN B 160 120.050 -4.791 9.700 1.00 0.00 O ATOM 2124 CB GLN B 160 122.206 -5.820 7.985 1.00 0.00 C ATOM 2125 CG GLN B 160 123.122 -6.326 6.865 1.00 0.00 C ATOM 2126 CD GLN B 160 123.555 -5.296 5.836 1.00 0.00 C ATOM 2127 OE1 GLN B 160 122.865 -5.059 4.833 1.00 0.00 O ATOM 2128 NE2 GLN B 160 124.697 -4.731 6.017 1.00 0.00 N ATOM 0 H GLN B 160 122.031 -3.311 7.826 1.00 0.00 H new ATOM 0 HA GLN B 160 120.639 -5.527 6.587 1.00 0.00 H new ATOM 0 HB2 GLN B 160 122.785 -5.166 8.637 1.00 0.00 H new ATOM 0 HB3 GLN B 160 121.892 -6.673 8.587 1.00 0.00 H new ATOM 0 HG2 GLN B 160 124.016 -6.753 7.320 1.00 0.00 H new ATOM 0 HG3 GLN B 160 122.611 -7.136 6.345 1.00 0.00 H new ATOM 0 HE21 GLN B 160 125.245 -4.943 6.851 1.00 0.00 H new ATOM 0 HE22 GLN B 160 125.054 -4.071 5.327 1.00 0.00 H new ATOM 2137 N VAL B 161 118.691 -5.572 8.113 1.00 0.00 N ATOM 2138 CA VAL B 161 117.574 -5.658 9.002 1.00 0.00 C ATOM 2139 C VAL B 161 117.130 -7.095 9.103 1.00 0.00 C ATOM 2140 O VAL B 161 116.922 -7.596 10.201 1.00 0.00 O ATOM 2141 CB VAL B 161 116.371 -4.722 8.609 1.00 0.00 C ATOM 2142 CG1 VAL B 161 116.802 -3.308 8.444 1.00 0.00 C ATOM 2143 CG2 VAL B 161 115.686 -5.127 7.346 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.070 -7.760 8.079 1.00 0.00 O ATOM 0 H VAL B 161 118.496 -5.854 7.152 1.00 0.00 H new ATOM 0 HA VAL B 161 117.910 -5.297 9.974 1.00 0.00 H new ATOM 0 HB VAL B 161 115.672 -4.821 9.440 1.00 0.00 H new ATOM 0 HG11 VAL B 161 115.942 -2.695 8.173 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.226 -2.945 9.380 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.554 -3.246 7.658 1.00 0.00 H new ATOM 0 HG21 VAL B 161 114.868 -4.437 7.138 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.399 -5.103 6.522 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.290 -6.137 7.454 1.00 0.00 H new TER 2154 VAL B 161