USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 883 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 88 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 ASN : amide:sc= -2.69! C(o=-6.3!,f=-7.6!) USER MOD Set 1.3: A 94 TYR OH : rot 40:sc= -3.59! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.91 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -6.03! C(o=-6!,f=-4.2!) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.342) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.825 X(o=-0.82,f=-0.55) USER MOD Single : A 34 ASN : amide:sc= -1.21! C(o=-1.2!,f=-2!) USER MOD Single : A 35 MET CE :methyl -119:sc= -0.408 (180deg=-2.79!) USER MOD Single : A 36 GLN : amide:sc= -0.143 K(o=-0.14,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 177:sc= 0.582 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0411 K(o=-0.041,f=-0.96) USER MOD Single : A 46 GLN : amide:sc=-0.00102 K(o=-0.001,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00687 USER MOD Single : A 57 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.44) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00497 USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= 0.758 (180deg=0.437) USER MOD Single : A 64 LYS NZ :NH3+ -111:sc= -0.427 (180deg=-2.51!) USER MOD Single : A 66 HIS : no HD1:sc= -0.726 K(o=-0.73,f=0) USER MOD Single : A 69 THR OG1 : rot -22:sc= 0.833 USER MOD Single : A 71 MET CE :methyl -114:sc= -1.03 (180deg=-4.48!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -5.56! C(o=-5.6!,f=-12!) USER MOD Single : A 77 LYS NZ :NH3+ -120:sc= -3.21! (180deg=-4.63!) USER MOD Single : A 79 GLN : amide:sc= -0.0957 K(o=-0.096,f=-0.6) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.652 USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= 0.897 (180deg=0.361) USER MOD Single : A 90 SER OG : rot 180:sc=-0.00195 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.58! C(o=-2.6!,f=-7.8!) USER MOD Single : A 96 MET CE :methyl 152:sc= -0.0107 (180deg=-0.129) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=-0.19) USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0418) USER MOD Single : A 110 SER OG : rot 44:sc= 0.605 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.752 38.169 12.570 1.00 0.00 N ATOM 2 CA GLY A 1 -9.849 37.287 12.925 1.00 0.00 C ATOM 3 C GLY A 1 -9.449 35.826 12.903 1.00 0.00 C ATOM 4 O GLY A 1 -8.917 35.335 11.908 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.077 39.156 12.600 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.971 38.041 13.245 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.421 37.942 11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.212 37.546 13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.676 37.444 12.233 1.00 0.00 H new ATOM 8 N SER A 2 -9.704 35.127 14.005 1.00 0.00 N ATOM 9 CA SER A 2 -9.361 33.714 14.111 1.00 0.00 C ATOM 10 C SER A 2 -10.573 32.837 13.807 1.00 0.00 C ATOM 11 O SER A 2 -11.715 33.238 14.031 1.00 0.00 O ATOM 12 CB SER A 2 -8.828 33.400 15.510 1.00 0.00 C ATOM 13 OG SER A 2 -9.885 33.311 16.451 1.00 0.00 O ATOM 0 H SER A 2 -10.147 35.517 14.837 1.00 0.00 H new ATOM 0 HA SER A 2 -8.584 33.498 13.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.275 32.461 15.490 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.127 34.176 15.818 1.00 0.00 H new ATOM 0 HG SER A 2 -9.518 33.108 17.337 1.00 0.00 H new ATOM 19 N SER A 3 -10.314 31.638 13.297 1.00 0.00 N ATOM 20 CA SER A 3 -11.382 30.705 12.958 1.00 0.00 C ATOM 21 C SER A 3 -10.861 29.271 12.926 1.00 0.00 C ATOM 22 O SER A 3 -9.746 29.013 12.473 1.00 0.00 O ATOM 23 CB SER A 3 -11.994 31.067 11.604 1.00 0.00 C ATOM 24 OG SER A 3 -13.045 30.178 11.265 1.00 0.00 O ATOM 0 H SER A 3 -9.374 31.289 13.109 1.00 0.00 H new ATOM 0 HA SER A 3 -12.151 30.777 13.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.373 32.089 11.634 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.224 31.035 10.833 1.00 0.00 H new ATOM 0 HG SER A 3 -13.421 30.432 10.396 1.00 0.00 H new ATOM 30 N GLY A 4 -11.677 28.340 13.412 1.00 0.00 N ATOM 31 CA GLY A 4 -11.282 26.944 13.430 1.00 0.00 C ATOM 32 C GLY A 4 -12.460 26.011 13.625 1.00 0.00 C ATOM 33 O GLY A 4 -13.482 26.400 14.192 1.00 0.00 O ATOM 0 H GLY A 4 -12.604 28.528 13.793 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.780 26.700 12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.560 26.784 14.230 1.00 0.00 H new ATOM 37 N SER A 5 -12.320 24.776 13.154 1.00 0.00 N ATOM 38 CA SER A 5 -13.384 23.786 13.275 1.00 0.00 C ATOM 39 C SER A 5 -13.122 22.848 14.450 1.00 0.00 C ATOM 40 O SER A 5 -12.038 22.852 15.033 1.00 0.00 O ATOM 41 CB SER A 5 -13.507 22.978 11.982 1.00 0.00 C ATOM 42 OG SER A 5 -14.133 23.739 10.963 1.00 0.00 O ATOM 0 H SER A 5 -11.480 24.437 12.685 1.00 0.00 H new ATOM 0 HA SER A 5 -14.320 24.315 13.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.517 22.664 11.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.083 22.072 12.169 1.00 0.00 H new ATOM 0 HG SER A 5 -14.198 23.201 10.146 1.00 0.00 H new ATOM 48 N SER A 6 -14.125 22.045 14.793 1.00 0.00 N ATOM 49 CA SER A 6 -14.006 21.105 15.901 1.00 0.00 C ATOM 50 C SER A 6 -13.838 19.678 15.386 1.00 0.00 C ATOM 51 O SER A 6 -14.812 19.015 15.032 1.00 0.00 O ATOM 52 CB SER A 6 -15.238 21.191 16.805 1.00 0.00 C ATOM 53 OG SER A 6 -15.227 20.163 17.780 1.00 0.00 O ATOM 0 H SER A 6 -15.028 22.027 14.320 1.00 0.00 H new ATOM 0 HA SER A 6 -13.121 21.372 16.479 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.265 22.163 17.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.142 21.114 16.201 1.00 0.00 H new ATOM 0 HG SER A 6 -16.023 20.240 18.346 1.00 0.00 H new ATOM 59 N GLY A 7 -12.593 19.213 15.348 1.00 0.00 N ATOM 60 CA GLY A 7 -12.318 17.868 14.876 1.00 0.00 C ATOM 61 C GLY A 7 -12.078 17.817 13.380 1.00 0.00 C ATOM 62 O GLY A 7 -12.995 18.035 12.588 1.00 0.00 O ATOM 0 H GLY A 7 -11.770 19.743 15.635 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.443 17.476 15.395 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.156 17.219 15.129 1.00 0.00 H new ATOM 66 N THR A 8 -10.839 17.530 12.990 1.00 0.00 N ATOM 67 CA THR A 8 -10.480 17.454 11.580 1.00 0.00 C ATOM 68 C THR A 8 -11.188 16.291 10.894 1.00 0.00 C ATOM 69 O THR A 8 -11.885 16.478 9.897 1.00 0.00 O ATOM 70 CB THR A 8 -8.959 17.294 11.396 1.00 0.00 C ATOM 71 OG1 THR A 8 -8.484 16.193 12.178 1.00 0.00 O ATOM 72 CG2 THR A 8 -8.228 18.565 11.803 1.00 0.00 C ATOM 0 H THR A 8 -10.068 17.346 13.632 1.00 0.00 H new ATOM 0 HA THR A 8 -10.798 18.391 11.122 1.00 0.00 H new ATOM 0 HB THR A 8 -8.761 17.102 10.341 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.517 16.097 12.054 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.156 18.428 11.664 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.571 19.395 11.186 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.434 18.783 12.851 1.00 0.00 H new ATOM 80 N GLU A 9 -11.005 15.090 11.435 1.00 0.00 N ATOM 81 CA GLU A 9 -11.628 13.897 10.874 1.00 0.00 C ATOM 82 C GLU A 9 -13.090 13.795 11.299 1.00 0.00 C ATOM 83 O GLU A 9 -13.582 12.711 11.613 1.00 0.00 O ATOM 84 CB GLU A 9 -10.868 12.644 11.313 1.00 0.00 C ATOM 85 CG GLU A 9 -9.484 12.525 10.699 1.00 0.00 C ATOM 86 CD GLU A 9 -8.508 13.541 11.259 1.00 0.00 C ATOM 87 OE1 GLU A 9 -8.522 13.763 12.488 1.00 0.00 O ATOM 88 OE2 GLU A 9 -7.730 14.115 10.468 1.00 0.00 O ATOM 0 H GLU A 9 -10.431 14.918 12.260 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.589 13.974 9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.775 12.648 12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.452 11.763 11.046 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.098 11.521 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.557 12.654 9.619 1.00 0.00 H new ATOM 95 N ASP A 10 -13.778 14.931 11.308 1.00 0.00 N ATOM 96 CA ASP A 10 -15.184 14.970 11.694 1.00 0.00 C ATOM 97 C ASP A 10 -16.078 15.167 10.474 1.00 0.00 C ATOM 98 O ASP A 10 -17.051 14.439 10.281 1.00 0.00 O ATOM 99 CB ASP A 10 -15.426 16.092 12.705 1.00 0.00 C ATOM 100 CG ASP A 10 -16.734 15.926 13.453 1.00 0.00 C ATOM 101 OD1 ASP A 10 -16.919 14.873 14.098 1.00 0.00 O ATOM 102 OD2 ASP A 10 -17.573 16.849 13.393 1.00 0.00 O ATOM 0 H ASP A 10 -13.385 15.837 11.053 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.435 14.015 12.155 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.603 16.117 13.419 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.427 17.051 12.186 1.00 0.00 H new ATOM 107 N SER A 11 -15.741 16.157 9.653 1.00 0.00 N ATOM 108 CA SER A 11 -16.515 16.454 8.454 1.00 0.00 C ATOM 109 C SER A 11 -15.718 16.121 7.196 1.00 0.00 C ATOM 110 O SER A 11 -15.700 16.892 6.236 1.00 0.00 O ATOM 111 CB SER A 11 -16.924 17.928 8.437 1.00 0.00 C ATOM 112 OG SER A 11 -18.057 18.133 7.609 1.00 0.00 O ATOM 0 H SER A 11 -14.936 16.767 9.797 1.00 0.00 H new ATOM 0 HA SER A 11 -17.412 15.836 8.469 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.146 18.259 9.452 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.093 18.535 8.079 1.00 0.00 H new ATOM 0 HG SER A 11 -18.300 19.082 7.616 1.00 0.00 H new ATOM 118 N LEU A 12 -15.060 14.967 7.210 1.00 0.00 N ATOM 119 CA LEU A 12 -14.260 14.530 6.071 1.00 0.00 C ATOM 120 C LEU A 12 -15.109 14.455 4.806 1.00 0.00 C ATOM 121 O LEU A 12 -16.281 14.081 4.854 1.00 0.00 O ATOM 122 CB LEU A 12 -13.631 13.165 6.358 1.00 0.00 C ATOM 123 CG LEU A 12 -12.380 13.174 7.238 1.00 0.00 C ATOM 124 CD1 LEU A 12 -12.169 11.812 7.880 1.00 0.00 C ATOM 125 CD2 LEU A 12 -11.159 13.578 6.425 1.00 0.00 C ATOM 0 H LEU A 12 -15.065 14.318 7.997 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.468 15.262 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.382 12.534 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.378 12.696 5.407 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.522 13.908 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.274 11.838 8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.033 11.563 8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.048 11.058 7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.278 13.579 7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.013 12.869 5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.310 14.576 6.014 1.00 0.00 H new ATOM 137 N MET A 13 -14.509 14.810 3.674 1.00 0.00 N ATOM 138 CA MET A 13 -15.209 14.779 2.396 1.00 0.00 C ATOM 139 C MET A 13 -15.566 13.349 2.006 1.00 0.00 C ATOM 140 O MET A 13 -15.010 12.381 2.525 1.00 0.00 O ATOM 141 CB MET A 13 -14.350 15.419 1.304 1.00 0.00 C ATOM 142 CG MET A 13 -14.595 16.909 1.132 1.00 0.00 C ATOM 143 SD MET A 13 -13.864 17.890 2.457 1.00 0.00 S ATOM 144 CE MET A 13 -15.274 18.867 2.973 1.00 0.00 C ATOM 0 H MET A 13 -13.540 15.122 3.616 1.00 0.00 H new ATOM 0 HA MET A 13 -16.132 15.349 2.502 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.298 15.257 1.539 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.546 14.915 0.357 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.184 17.233 0.176 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.668 17.095 1.097 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.980 19.527 3.790 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.629 19.465 2.134 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.072 18.205 3.310 1.00 0.00 H new ATOM 154 N PRO A 14 -16.517 13.209 1.069 1.00 0.00 N ATOM 155 CA PRO A 14 -16.969 11.900 0.589 1.00 0.00 C ATOM 156 C PRO A 14 -15.907 11.190 -0.244 1.00 0.00 C ATOM 157 O PRO A 14 -14.756 11.623 -0.299 1.00 0.00 O ATOM 158 CB PRO A 14 -18.186 12.240 -0.274 1.00 0.00 C ATOM 159 CG PRO A 14 -17.956 13.643 -0.718 1.00 0.00 C ATOM 160 CD PRO A 14 -17.223 14.319 0.408 1.00 0.00 C ATOM 0 HA PRO A 14 -17.189 11.218 1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.269 11.564 -1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.112 12.152 0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.370 13.670 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.900 14.146 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.529 15.074 0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.909 14.822 1.090 1.00 0.00 H new ATOM 168 N GLU A 15 -16.301 10.097 -0.890 1.00 0.00 N ATOM 169 CA GLU A 15 -15.381 9.327 -1.719 1.00 0.00 C ATOM 170 C GLU A 15 -15.497 9.737 -3.185 1.00 0.00 C ATOM 171 O GLU A 15 -14.492 9.932 -3.866 1.00 0.00 O ATOM 172 CB GLU A 15 -15.659 7.830 -1.573 1.00 0.00 C ATOM 173 CG GLU A 15 -14.509 6.950 -2.033 1.00 0.00 C ATOM 174 CD GLU A 15 -14.887 5.483 -2.099 1.00 0.00 C ATOM 175 OE1 GLU A 15 -16.030 5.183 -2.504 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.041 4.635 -1.746 1.00 0.00 O ATOM 0 H GLU A 15 -17.250 9.725 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.366 9.535 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.878 7.610 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.551 7.577 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.175 7.280 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.667 7.074 -1.352 1.00 0.00 H new ATOM 183 N GLU A 16 -16.732 9.864 -3.661 1.00 0.00 N ATOM 184 CA GLU A 16 -16.980 10.249 -5.046 1.00 0.00 C ATOM 185 C GLU A 16 -16.409 11.634 -5.336 1.00 0.00 C ATOM 186 O GLU A 16 -15.604 11.805 -6.251 1.00 0.00 O ATOM 187 CB GLU A 16 -18.481 10.231 -5.343 1.00 0.00 C ATOM 188 CG GLU A 16 -19.290 11.148 -4.440 1.00 0.00 C ATOM 189 CD GLU A 16 -20.777 10.858 -4.498 1.00 0.00 C ATOM 190 OE1 GLU A 16 -21.155 9.672 -4.393 1.00 0.00 O ATOM 191 OE2 GLU A 16 -21.564 11.816 -4.650 1.00 0.00 O ATOM 0 H GLU A 16 -17.575 9.706 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.481 9.527 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.641 10.523 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.852 9.211 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.942 11.040 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.114 12.184 -4.729 1.00 0.00 H new ATOM 198 N GLU A 17 -16.833 12.619 -4.550 1.00 0.00 N ATOM 199 CA GLU A 17 -16.365 13.989 -4.724 1.00 0.00 C ATOM 200 C GLU A 17 -14.852 14.075 -4.541 1.00 0.00 C ATOM 201 O GLU A 17 -14.149 14.666 -5.361 1.00 0.00 O ATOM 202 CB GLU A 17 -17.063 14.920 -3.730 1.00 0.00 C ATOM 203 CG GLU A 17 -17.252 16.335 -4.251 1.00 0.00 C ATOM 204 CD GLU A 17 -16.049 17.219 -3.987 1.00 0.00 C ATOM 205 OE1 GLU A 17 -15.776 17.511 -2.804 1.00 0.00 O ATOM 206 OE2 GLU A 17 -15.381 17.620 -4.963 1.00 0.00 O ATOM 0 H GLU A 17 -17.499 12.494 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.610 14.303 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.037 14.502 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.482 14.956 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.445 16.301 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.132 16.776 -3.783 1.00 0.00 H new ATOM 213 N PHE A 18 -14.358 13.482 -3.459 1.00 0.00 N ATOM 214 CA PHE A 18 -12.930 13.491 -3.167 1.00 0.00 C ATOM 215 C PHE A 18 -12.111 13.383 -4.450 1.00 0.00 C ATOM 216 O PHE A 18 -11.334 14.279 -4.782 1.00 0.00 O ATOM 217 CB PHE A 18 -12.573 12.342 -2.222 1.00 0.00 C ATOM 218 CG PHE A 18 -11.109 12.007 -2.212 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.217 12.761 -1.466 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.624 10.938 -2.948 1.00 0.00 C ATOM 221 CE1 PHE A 18 -8.870 12.455 -1.456 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.278 10.627 -2.941 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.399 11.386 -2.193 1.00 0.00 C ATOM 0 H PHE A 18 -14.926 12.989 -2.770 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.690 14.438 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.885 12.604 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.138 11.456 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.579 13.597 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.306 10.341 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.185 13.052 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.913 9.791 -3.520 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.346 11.144 -2.184 1.00 0.00 H new ATOM 233 N LEU A 19 -12.291 12.279 -5.167 1.00 0.00 N ATOM 234 CA LEU A 19 -11.569 12.052 -6.415 1.00 0.00 C ATOM 235 C LEU A 19 -11.591 13.299 -7.292 1.00 0.00 C ATOM 236 O LEU A 19 -10.606 13.621 -7.956 1.00 0.00 O ATOM 237 CB LEU A 19 -12.180 10.871 -7.172 1.00 0.00 C ATOM 238 CG LEU A 19 -12.317 9.567 -6.385 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.243 8.602 -7.108 1.00 0.00 C ATOM 240 CD2 LEU A 19 -10.951 8.933 -6.162 1.00 0.00 C ATOM 0 H LEU A 19 -12.930 11.528 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.532 11.822 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.169 11.164 -7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.571 10.677 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.753 9.796 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.328 7.680 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.229 9.055 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.837 8.378 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.067 8.006 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.488 8.718 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.318 9.620 -5.601 1.00 0.00 H new ATOM 252 N ARG A 20 -12.721 14.000 -7.288 1.00 0.00 N ATOM 253 CA ARG A 20 -12.870 15.213 -8.083 1.00 0.00 C ATOM 254 C ARG A 20 -11.917 16.301 -7.598 1.00 0.00 C ATOM 255 O ARG A 20 -11.402 17.087 -8.393 1.00 0.00 O ATOM 256 CB ARG A 20 -14.313 15.717 -8.016 1.00 0.00 C ATOM 257 CG ARG A 20 -15.349 14.634 -8.270 1.00 0.00 C ATOM 258 CD ARG A 20 -15.692 14.526 -9.747 1.00 0.00 C ATOM 259 NE ARG A 20 -16.756 15.450 -10.131 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.049 15.193 -9.963 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.435 14.046 -9.422 1.00 0.00 N ATOM 262 NH2 ARG A 20 -18.958 16.084 -10.338 1.00 0.00 N ATOM 0 H ARG A 20 -13.546 13.749 -6.743 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.623 14.973 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.491 16.155 -7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.445 16.513 -8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.971 13.676 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.252 14.853 -7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.802 14.731 -10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.999 13.505 -9.974 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.492 16.341 -10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.739 13.358 -9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.428 13.851 -9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.665 16.967 -10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.950 15.886 -10.209 1.00 0.00 H new ATOM 276 N ARG A 21 -11.688 16.340 -6.290 1.00 0.00 N ATOM 277 CA ARG A 21 -10.799 17.333 -5.699 1.00 0.00 C ATOM 278 C ARG A 21 -9.349 17.070 -6.097 1.00 0.00 C ATOM 279 O ARG A 21 -8.714 17.898 -6.748 1.00 0.00 O ATOM 280 CB ARG A 21 -10.930 17.324 -4.175 1.00 0.00 C ATOM 281 CG ARG A 21 -11.989 18.278 -3.649 1.00 0.00 C ATOM 282 CD ARG A 21 -12.047 18.264 -2.129 1.00 0.00 C ATOM 283 NE ARG A 21 -13.289 18.843 -1.623 1.00 0.00 N ATOM 284 CZ ARG A 21 -13.465 20.144 -1.423 1.00 0.00 C ATOM 285 NH1 ARG A 21 -12.484 20.997 -1.685 1.00 0.00 N ATOM 286 NH2 ARG A 21 -14.624 20.595 -0.960 1.00 0.00 N ATOM 0 H ARG A 21 -12.106 15.695 -5.619 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.089 18.314 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.168 16.313 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.968 17.584 -3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.775 19.289 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.963 18.002 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.953 17.238 -1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.199 18.819 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.063 18.214 -1.412 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.592 20.654 -2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.622 21.996 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.381 19.942 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.758 21.595 -0.807 1.00 0.00 H new ATOM 300 N ASN A 22 -8.833 15.911 -5.701 1.00 0.00 N ATOM 301 CA ASN A 22 -7.459 15.539 -6.016 1.00 0.00 C ATOM 302 C ASN A 22 -7.360 14.965 -7.426 1.00 0.00 C ATOM 303 O ASN A 22 -8.064 14.017 -7.774 1.00 0.00 O ATOM 304 CB ASN A 22 -6.940 14.518 -5.001 1.00 0.00 C ATOM 305 CG ASN A 22 -7.870 13.331 -4.847 1.00 0.00 C ATOM 306 OD1 ASN A 22 -7.725 12.321 -5.535 1.00 0.00 O ATOM 307 ND2 ASN A 22 -8.834 13.448 -3.941 1.00 0.00 N ATOM 0 H ASN A 22 -9.346 15.214 -5.162 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.845 16.438 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.956 14.167 -5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.813 15.004 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.491 12.682 -3.794 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.917 14.304 -3.393 1.00 0.00 H new ATOM 314 N LYS A 23 -6.480 15.547 -8.235 1.00 0.00 N ATOM 315 CA LYS A 23 -6.286 15.094 -9.607 1.00 0.00 C ATOM 316 C LYS A 23 -5.497 13.789 -9.643 1.00 0.00 C ATOM 317 O LYS A 23 -5.776 12.905 -10.452 1.00 0.00 O ATOM 318 CB LYS A 23 -5.557 16.165 -10.421 1.00 0.00 C ATOM 319 CG LYS A 23 -5.870 16.118 -11.907 1.00 0.00 C ATOM 320 CD LYS A 23 -7.214 16.757 -12.214 1.00 0.00 C ATOM 321 CE LYS A 23 -7.064 18.228 -12.569 1.00 0.00 C ATOM 322 NZ LYS A 23 -7.239 19.106 -11.378 1.00 0.00 N ATOM 0 H LYS A 23 -5.890 16.334 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.268 14.917 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.823 17.148 -10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.482 16.047 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.086 16.634 -12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.872 15.082 -12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.689 16.229 -13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.872 16.655 -11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.079 18.398 -13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.799 18.495 -13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.434 20.079 -11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.035 18.760 -10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.370 19.093 -10.807 1.00 0.00 H new ATOM 336 N GLY A 24 -4.510 13.675 -8.759 1.00 0.00 N ATOM 337 CA GLY A 24 -3.697 12.474 -8.706 1.00 0.00 C ATOM 338 C GLY A 24 -2.841 12.298 -9.945 1.00 0.00 C ATOM 339 O GLY A 24 -3.017 12.987 -10.950 1.00 0.00 O ATOM 0 H GLY A 24 -4.259 14.393 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.054 12.513 -7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.345 11.605 -8.589 1.00 0.00 H new ATOM 343 N PRO A 25 -1.888 11.356 -9.881 1.00 0.00 N ATOM 344 CA PRO A 25 -1.670 10.530 -8.690 1.00 0.00 C ATOM 345 C PRO A 25 -1.093 11.330 -7.528 1.00 0.00 C ATOM 346 O PRO A 25 -0.765 12.508 -7.674 1.00 0.00 O ATOM 347 CB PRO A 25 -0.664 9.479 -9.167 1.00 0.00 C ATOM 348 CG PRO A 25 0.054 10.129 -10.299 1.00 0.00 C ATOM 349 CD PRO A 25 -0.951 11.025 -10.968 1.00 0.00 C ATOM 0 HA PRO A 25 -2.601 10.108 -8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.025 9.199 -8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.167 8.567 -9.488 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.910 10.702 -9.941 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.438 9.384 -10.996 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.482 11.918 -11.380 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.454 10.520 -11.793 1.00 0.00 H new ATOM 357 N VAL A 26 -0.971 10.684 -6.373 1.00 0.00 N ATOM 358 CA VAL A 26 -0.432 11.335 -5.185 1.00 0.00 C ATOM 359 C VAL A 26 0.909 10.729 -4.787 1.00 0.00 C ATOM 360 O VAL A 26 1.162 9.548 -5.022 1.00 0.00 O ATOM 361 CB VAL A 26 -1.405 11.228 -3.996 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.700 11.966 -4.297 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.679 9.769 -3.662 1.00 0.00 C ATOM 0 H VAL A 26 -1.238 9.709 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.292 12.386 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.942 11.696 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.375 11.879 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.484 13.018 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.171 11.531 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.368 9.712 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.121 9.275 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.744 9.274 -3.400 1.00 0.00 H new ATOM 373 N SER A 27 1.765 11.547 -4.181 1.00 0.00 N ATOM 374 CA SER A 27 3.082 11.092 -3.753 1.00 0.00 C ATOM 375 C SER A 27 3.143 10.958 -2.234 1.00 0.00 C ATOM 376 O SER A 27 3.213 11.955 -1.514 1.00 0.00 O ATOM 377 CB SER A 27 4.162 12.064 -4.233 1.00 0.00 C ATOM 378 OG SER A 27 5.373 11.873 -3.523 1.00 0.00 O ATOM 0 H SER A 27 1.570 12.527 -3.976 1.00 0.00 H new ATOM 0 HA SER A 27 3.262 10.112 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.336 11.921 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.817 13.090 -4.101 1.00 0.00 H new ATOM 0 HG SER A 27 6.047 12.505 -3.850 1.00 0.00 H new ATOM 384 N ILE A 28 3.116 9.719 -1.755 1.00 0.00 N ATOM 385 CA ILE A 28 3.169 9.453 -0.323 1.00 0.00 C ATOM 386 C ILE A 28 4.544 8.941 0.091 1.00 0.00 C ATOM 387 O ILE A 28 5.124 8.081 -0.572 1.00 0.00 O ATOM 388 CB ILE A 28 2.102 8.425 0.099 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.524 7.017 -0.326 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.752 8.785 -0.503 1.00 0.00 C ATOM 391 CD1 ILE A 28 3.306 6.274 0.734 1.00 0.00 C ATOM 0 H ILE A 28 3.058 8.884 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 28 2.970 10.399 0.181 1.00 0.00 H new ATOM 0 HB ILE A 28 2.009 8.444 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.634 6.441 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.128 7.085 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.009 8.049 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.450 9.773 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.828 8.791 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.571 5.284 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.214 6.828 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.697 6.174 1.632 1.00 0.00 H new ATOM 403 N LYS A 29 5.061 9.474 1.193 1.00 0.00 N ATOM 404 CA LYS A 29 6.367 9.069 1.699 1.00 0.00 C ATOM 405 C LYS A 29 6.222 8.091 2.860 1.00 0.00 C ATOM 406 O LYS A 29 5.561 8.387 3.855 1.00 0.00 O ATOM 407 CB LYS A 29 7.165 10.296 2.148 1.00 0.00 C ATOM 408 CG LYS A 29 8.670 10.100 2.083 1.00 0.00 C ATOM 409 CD LYS A 29 9.414 11.346 2.532 1.00 0.00 C ATOM 410 CE LYS A 29 10.846 11.355 2.019 1.00 0.00 C ATOM 411 NZ LYS A 29 11.743 10.520 2.864 1.00 0.00 N ATOM 0 H LYS A 29 4.595 10.188 1.753 1.00 0.00 H new ATOM 0 HA LYS A 29 6.903 8.569 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.890 11.146 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.884 10.548 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.956 9.258 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.961 9.849 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.892 12.232 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.416 11.397 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.867 10.987 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.218 12.379 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.710 10.552 2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.743 10.887 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.404 9.537 2.864 1.00 0.00 H new ATOM 425 N VAL A 30 6.845 6.925 2.727 1.00 0.00 N ATOM 426 CA VAL A 30 6.788 5.904 3.766 1.00 0.00 C ATOM 427 C VAL A 30 8.019 5.962 4.663 1.00 0.00 C ATOM 428 O VAL A 30 9.117 5.587 4.251 1.00 0.00 O ATOM 429 CB VAL A 30 6.674 4.492 3.160 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.813 3.433 4.243 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.355 4.337 2.417 1.00 0.00 C ATOM 0 H VAL A 30 7.396 6.664 1.909 1.00 0.00 H new ATOM 0 HA VAL A 30 5.899 6.109 4.362 1.00 0.00 H new ATOM 0 HB VAL A 30 7.486 4.355 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.730 2.442 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.785 3.532 4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.024 3.564 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.291 3.334 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.527 4.494 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.301 5.072 1.614 1.00 0.00 H new ATOM 441 N GLN A 31 7.828 6.434 5.891 1.00 0.00 N ATOM 442 CA GLN A 31 8.925 6.541 6.846 1.00 0.00 C ATOM 443 C GLN A 31 9.310 5.169 7.389 1.00 0.00 C ATOM 444 O GLN A 31 8.591 4.588 8.202 1.00 0.00 O ATOM 445 CB GLN A 31 8.535 7.468 7.999 1.00 0.00 C ATOM 446 CG GLN A 31 9.727 8.079 8.718 1.00 0.00 C ATOM 447 CD GLN A 31 10.754 8.653 7.762 1.00 0.00 C ATOM 448 OE1 GLN A 31 10.635 9.794 7.316 1.00 0.00 O ATOM 449 NE2 GLN A 31 11.771 7.862 7.440 1.00 0.00 N ATOM 0 H GLN A 31 6.925 6.748 6.248 1.00 0.00 H new ATOM 0 HA GLN A 31 9.787 6.960 6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.904 8.269 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.936 6.909 8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.379 8.866 9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.200 7.319 9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.831 6.923 7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.492 8.194 6.800 1.00 0.00 H new ATOM 458 N VAL A 32 10.448 4.656 6.933 1.00 0.00 N ATOM 459 CA VAL A 32 10.930 3.352 7.374 1.00 0.00 C ATOM 460 C VAL A 32 11.898 3.490 8.544 1.00 0.00 C ATOM 461 O VAL A 32 13.020 3.975 8.400 1.00 0.00 O ATOM 462 CB VAL A 32 11.631 2.597 6.229 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.112 1.235 6.704 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.698 2.455 5.036 1.00 0.00 C ATOM 0 H VAL A 32 11.054 5.123 6.258 1.00 0.00 H new ATOM 0 HA VAL A 32 10.057 2.784 7.694 1.00 0.00 H new ATOM 0 HB VAL A 32 12.501 3.174 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.605 0.716 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.816 1.364 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.260 0.647 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.209 1.919 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.808 1.900 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.407 3.444 4.682 1.00 0.00 H new ATOM 474 N PRO A 33 11.455 3.054 9.732 1.00 0.00 N ATOM 475 CA PRO A 33 12.267 3.117 10.951 1.00 0.00 C ATOM 476 C PRO A 33 13.438 2.141 10.919 1.00 0.00 C ATOM 477 O PRO A 33 13.436 1.181 10.151 1.00 0.00 O ATOM 478 CB PRO A 33 11.279 2.732 12.056 1.00 0.00 C ATOM 479 CG PRO A 33 10.246 1.906 11.369 1.00 0.00 C ATOM 480 CD PRO A 33 10.128 2.465 9.978 1.00 0.00 C ATOM 0 HA PRO A 33 12.720 4.099 11.089 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.772 2.170 12.850 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.837 3.615 12.518 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.538 0.856 11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.292 1.959 11.893 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.893 1.687 9.251 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.338 3.213 9.911 1.00 0.00 H new ATOM 488 N ASN A 34 14.436 2.395 11.759 1.00 0.00 N ATOM 489 CA ASN A 34 15.614 1.537 11.826 1.00 0.00 C ATOM 490 C ASN A 34 15.473 0.505 12.940 1.00 0.00 C ATOM 491 O ASN A 34 15.414 0.853 14.119 1.00 0.00 O ATOM 492 CB ASN A 34 16.871 2.380 12.053 1.00 0.00 C ATOM 493 CG ASN A 34 17.147 2.622 13.525 1.00 0.00 C ATOM 494 OD1 ASN A 34 17.762 1.793 14.197 1.00 0.00 O ATOM 495 ND2 ASN A 34 16.693 3.761 14.032 1.00 0.00 N ATOM 0 H ASN A 34 14.453 3.187 12.402 1.00 0.00 H new ATOM 0 HA ASN A 34 15.704 1.010 10.876 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.728 1.878 11.603 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.760 3.338 11.545 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.849 3.979 15.016 1.00 0.00 H new ATOM 0 HD22 ASN A 34 16.188 4.419 13.438 1.00 0.00 H new ATOM 502 N MET A 35 15.419 -0.767 12.557 1.00 0.00 N ATOM 503 CA MET A 35 15.286 -1.851 13.524 1.00 0.00 C ATOM 504 C MET A 35 16.578 -2.656 13.618 1.00 0.00 C ATOM 505 O MET A 35 16.806 -3.574 12.831 1.00 0.00 O ATOM 506 CB MET A 35 14.126 -2.769 13.136 1.00 0.00 C ATOM 507 CG MET A 35 12.771 -2.269 13.609 1.00 0.00 C ATOM 508 SD MET A 35 12.696 -2.051 15.397 1.00 0.00 S ATOM 509 CE MET A 35 11.280 -0.965 15.547 1.00 0.00 C ATOM 0 H MET A 35 15.465 -1.072 11.585 1.00 0.00 H new ATOM 0 HA MET A 35 15.081 -1.412 14.500 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.106 -2.877 12.052 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.304 -3.761 13.552 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.548 -1.320 13.122 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.000 -2.975 13.300 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.588 -0.027 16.008 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.868 -0.765 14.558 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.520 -1.441 16.167 1.00 0.00 H new ATOM 519 N GLN A 36 17.420 -2.306 14.586 1.00 0.00 N ATOM 520 CA GLN A 36 18.689 -2.997 14.781 1.00 0.00 C ATOM 521 C GLN A 36 18.562 -4.076 15.851 1.00 0.00 C ATOM 522 O GLN A 36 19.122 -5.164 15.718 1.00 0.00 O ATOM 523 CB GLN A 36 19.781 -2.000 15.172 1.00 0.00 C ATOM 524 CG GLN A 36 21.112 -2.655 15.506 1.00 0.00 C ATOM 525 CD GLN A 36 21.980 -2.868 14.281 1.00 0.00 C ATOM 526 OE1 GLN A 36 21.789 -2.223 13.250 1.00 0.00 O ATOM 527 NE2 GLN A 36 22.943 -3.777 14.389 1.00 0.00 N ATOM 0 H GLN A 36 17.246 -1.549 15.247 1.00 0.00 H new ATOM 0 HA GLN A 36 18.963 -3.475 13.840 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.928 -1.295 14.354 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.443 -1.423 16.033 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.648 -2.034 16.224 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.929 -3.615 15.989 1.00 0.00 H new ATOM 0 HE21 GLN A 36 23.066 -4.289 15.263 1.00 0.00 H new ATOM 0 HE22 GLN A 36 23.560 -3.963 13.598 1.00 0.00 H new ATOM 536 N ASP A 37 17.824 -3.767 16.911 1.00 0.00 N ATOM 537 CA ASP A 37 17.623 -4.711 18.005 1.00 0.00 C ATOM 538 C ASP A 37 17.573 -6.144 17.483 1.00 0.00 C ATOM 539 O ASP A 37 18.490 -6.932 17.713 1.00 0.00 O ATOM 540 CB ASP A 37 16.333 -4.384 18.758 1.00 0.00 C ATOM 541 CG ASP A 37 16.363 -3.005 19.388 1.00 0.00 C ATOM 542 OD1 ASP A 37 17.345 -2.698 20.096 1.00 0.00 O ATOM 543 OD2 ASP A 37 15.406 -2.234 19.172 1.00 0.00 O ATOM 0 H ASP A 37 17.355 -2.870 17.037 1.00 0.00 H new ATOM 0 HA ASP A 37 18.466 -4.622 18.690 1.00 0.00 H new ATOM 0 HB2 ASP A 37 15.489 -4.448 18.071 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.170 -5.131 19.534 1.00 0.00 H new ATOM 548 N LYS A 38 16.495 -6.475 16.780 1.00 0.00 N ATOM 549 CA LYS A 38 16.324 -7.812 16.225 1.00 0.00 C ATOM 550 C LYS A 38 15.077 -7.883 15.349 1.00 0.00 C ATOM 551 O LYS A 38 13.963 -7.644 15.816 1.00 0.00 O ATOM 552 CB LYS A 38 16.229 -8.845 17.350 1.00 0.00 C ATOM 553 CG LYS A 38 16.700 -10.231 16.945 1.00 0.00 C ATOM 554 CD LYS A 38 15.639 -10.970 16.146 1.00 0.00 C ATOM 555 CE LYS A 38 15.978 -12.445 15.999 1.00 0.00 C ATOM 556 NZ LYS A 38 15.075 -13.128 15.031 1.00 0.00 N ATOM 0 H LYS A 38 15.726 -5.835 16.581 1.00 0.00 H new ATOM 0 HA LYS A 38 17.194 -8.035 15.607 1.00 0.00 H new ATOM 0 HB2 LYS A 38 16.822 -8.502 18.198 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.195 -8.907 17.689 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.611 -10.148 16.352 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.951 -10.806 17.836 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.672 -10.865 16.639 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.544 -10.517 15.159 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.011 -12.549 15.667 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.905 -12.933 16.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.339 -14.131 14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.091 -13.051 15.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.164 -12.679 14.097 1.00 0.00 H new ATOM 570 N THR A 39 15.271 -8.213 14.076 1.00 0.00 N ATOM 571 CA THR A 39 14.163 -8.315 13.135 1.00 0.00 C ATOM 572 C THR A 39 14.636 -8.834 11.782 1.00 0.00 C ATOM 573 O THR A 39 15.803 -8.681 11.423 1.00 0.00 O ATOM 574 CB THR A 39 13.468 -6.955 12.937 1.00 0.00 C ATOM 575 OG1 THR A 39 12.276 -7.123 12.161 1.00 0.00 O ATOM 576 CG2 THR A 39 14.396 -5.969 12.243 1.00 0.00 C ATOM 0 H THR A 39 16.186 -8.414 13.673 1.00 0.00 H new ATOM 0 HA THR A 39 13.450 -9.020 13.562 1.00 0.00 H new ATOM 0 HB THR A 39 13.210 -6.557 13.918 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.810 -6.264 12.086 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.883 -5.016 12.114 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.289 -5.821 12.850 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.681 -6.363 11.267 1.00 0.00 H new ATOM 584 N GLU A 40 13.723 -9.446 11.036 1.00 0.00 N ATOM 585 CA GLU A 40 14.049 -9.987 9.722 1.00 0.00 C ATOM 586 C GLU A 40 13.420 -9.145 8.615 1.00 0.00 C ATOM 587 O GLU A 40 12.811 -9.676 7.687 1.00 0.00 O ATOM 588 CB GLU A 40 13.570 -11.436 9.609 1.00 0.00 C ATOM 589 CG GLU A 40 12.118 -11.630 10.011 1.00 0.00 C ATOM 590 CD GLU A 40 11.625 -13.041 9.755 1.00 0.00 C ATOM 591 OE1 GLU A 40 11.457 -13.407 8.572 1.00 0.00 O ATOM 592 OE2 GLU A 40 11.408 -13.781 10.738 1.00 0.00 O ATOM 0 H GLU A 40 12.752 -9.580 11.319 1.00 0.00 H new ATOM 0 HA GLU A 40 15.132 -9.959 9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.702 -11.774 8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.199 -12.068 10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.004 -11.396 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.495 -10.926 9.459 1.00 0.00 H new ATOM 599 N TRP A 41 13.573 -7.830 8.722 1.00 0.00 N ATOM 600 CA TRP A 41 13.019 -6.913 7.732 1.00 0.00 C ATOM 601 C TRP A 41 14.063 -5.892 7.293 1.00 0.00 C ATOM 602 O TRP A 41 14.962 -5.541 8.056 1.00 0.00 O ATOM 603 CB TRP A 41 11.793 -6.197 8.298 1.00 0.00 C ATOM 604 CG TRP A 41 10.744 -7.134 8.817 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.378 -8.333 8.276 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.926 -6.947 9.977 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.381 -8.904 9.031 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.086 -8.074 10.080 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.822 -5.940 10.939 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.157 -8.217 11.106 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.899 -6.083 11.957 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.076 -7.215 12.035 1.00 0.00 C ATOM 0 H TRP A 41 14.076 -7.375 9.484 1.00 0.00 H new ATOM 0 HA TRP A 41 12.719 -7.496 6.861 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.108 -5.534 9.104 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.357 -5.569 7.521 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.808 -8.769 7.386 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.933 -9.801 8.841 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.452 -5.064 10.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.522 -9.088 11.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.810 -5.309 12.705 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.365 -7.298 12.843 1.00 0.00 H new ATOM 623 N LYS A 42 13.937 -5.417 6.058 1.00 0.00 N ATOM 624 CA LYS A 42 14.868 -4.434 5.517 1.00 0.00 C ATOM 625 C LYS A 42 14.590 -3.048 6.091 1.00 0.00 C ATOM 626 O LYS A 42 14.438 -2.077 5.349 1.00 0.00 O ATOM 627 CB LYS A 42 14.771 -4.395 3.991 1.00 0.00 C ATOM 628 CG LYS A 42 15.315 -5.641 3.314 1.00 0.00 C ATOM 629 CD LYS A 42 16.803 -5.517 3.031 1.00 0.00 C ATOM 630 CE LYS A 42 17.073 -4.558 1.881 1.00 0.00 C ATOM 631 NZ LYS A 42 18.464 -4.689 1.365 1.00 0.00 N ATOM 0 H LYS A 42 13.198 -5.697 5.413 1.00 0.00 H new ATOM 0 HA LYS A 42 15.877 -4.730 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.728 -4.263 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.315 -3.525 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.135 -6.509 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.779 -5.812 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.317 -5.167 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.212 -6.499 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.366 -4.751 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.904 -3.534 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.609 -4.019 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.139 -4.480 2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.617 -5.659 1.023 1.00 0.00 H new ATOM 645 N LEU A 43 14.526 -2.963 7.415 1.00 0.00 N ATOM 646 CA LEU A 43 14.267 -1.695 8.088 1.00 0.00 C ATOM 647 C LEU A 43 15.566 -1.067 8.584 1.00 0.00 C ATOM 648 O LEU A 43 16.060 -1.405 9.659 1.00 0.00 O ATOM 649 CB LEU A 43 13.309 -1.904 9.262 1.00 0.00 C ATOM 650 CG LEU A 43 11.902 -2.382 8.902 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.047 -2.517 10.153 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.252 -1.428 7.910 1.00 0.00 C ATOM 0 H LEU A 43 14.650 -3.757 8.044 1.00 0.00 H new ATOM 0 HA LEU A 43 13.808 -1.017 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.754 -2.629 9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.224 -0.964 9.807 1.00 0.00 H new ATOM 0 HG LEU A 43 11.981 -3.363 8.434 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.049 -2.858 9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.503 -3.240 10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.975 -1.550 10.651 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.251 -1.784 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.186 -0.434 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.853 -1.382 7.002 1.00 0.00 H new ATOM 664 N ASN A 44 16.113 -0.150 7.793 1.00 0.00 N ATOM 665 CA ASN A 44 17.354 0.527 8.152 1.00 0.00 C ATOM 666 C ASN A 44 17.249 2.027 7.898 1.00 0.00 C ATOM 667 O ASN A 44 17.841 2.551 6.956 1.00 0.00 O ATOM 668 CB ASN A 44 18.525 -0.055 7.358 1.00 0.00 C ATOM 669 CG ASN A 44 18.761 -1.521 7.666 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.610 -1.959 8.806 1.00 0.00 O ATOM 671 ND2 ASN A 44 19.134 -2.287 6.647 1.00 0.00 N ATOM 0 H ASN A 44 15.717 0.141 6.899 1.00 0.00 H new ATOM 0 HA ASN A 44 17.530 0.368 9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.332 0.063 6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.429 0.511 7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 44 19.308 -3.281 6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 44 19.247 -1.881 5.718 1.00 0.00 H new ATOM 678 N GLY A 45 16.490 2.714 8.746 1.00 0.00 N ATOM 679 CA GLY A 45 16.320 4.148 8.597 1.00 0.00 C ATOM 680 C GLY A 45 16.364 4.589 7.148 1.00 0.00 C ATOM 681 O GLY A 45 17.419 4.967 6.640 1.00 0.00 O ATOM 0 H GLY A 45 15.989 2.303 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.367 4.445 9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.102 4.663 9.154 1.00 0.00 H new ATOM 685 N GLN A 46 15.216 4.540 6.481 1.00 0.00 N ATOM 686 CA GLN A 46 15.128 4.935 5.080 1.00 0.00 C ATOM 687 C GLN A 46 13.718 5.402 4.733 1.00 0.00 C ATOM 688 O GLN A 46 12.808 5.324 5.557 1.00 0.00 O ATOM 689 CB GLN A 46 15.531 3.771 4.174 1.00 0.00 C ATOM 690 CG GLN A 46 14.591 2.580 4.259 1.00 0.00 C ATOM 691 CD GLN A 46 15.122 1.363 3.527 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.243 1.371 3.018 1.00 0.00 O ATOM 693 NE2 GLN A 46 14.318 0.308 3.471 1.00 0.00 N ATOM 0 H GLN A 46 14.333 4.231 6.888 1.00 0.00 H new ATOM 0 HA GLN A 46 15.815 5.766 4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.568 4.121 3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.538 3.448 4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.426 2.326 5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.623 2.856 3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.397 0.345 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.622 -0.540 2.992 1.00 0.00 H new ATOM 702 N GLY A 47 13.545 5.886 3.507 1.00 0.00 N ATOM 703 CA GLY A 47 12.244 6.359 3.073 1.00 0.00 C ATOM 704 C GLY A 47 11.826 5.765 1.742 1.00 0.00 C ATOM 705 O GLY A 47 12.601 5.764 0.784 1.00 0.00 O ATOM 0 H GLY A 47 14.283 5.959 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.499 6.109 3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.264 7.446 2.992 1.00 0.00 H new ATOM 709 N LEU A 48 10.600 5.259 1.681 1.00 0.00 N ATOM 710 CA LEU A 48 10.081 4.658 0.457 1.00 0.00 C ATOM 711 C LEU A 48 8.926 5.480 -0.106 1.00 0.00 C ATOM 712 O LEU A 48 7.875 5.605 0.522 1.00 0.00 O ATOM 713 CB LEU A 48 9.617 3.225 0.726 1.00 0.00 C ATOM 714 CG LEU A 48 10.662 2.283 1.324 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.045 0.928 1.635 1.00 0.00 C ATOM 716 CD2 LEU A 48 11.844 2.127 0.378 1.00 0.00 C ATOM 0 H LEU A 48 9.946 5.253 2.464 1.00 0.00 H new ATOM 0 HA LEU A 48 10.885 4.642 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.762 3.262 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.265 2.796 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 48 11.023 2.718 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.804 0.271 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.232 1.054 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.655 0.486 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.578 1.453 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.499 1.716 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.303 3.100 0.206 1.00 0.00 H new ATOM 728 N VAL A 49 9.128 6.038 -1.296 1.00 0.00 N ATOM 729 CA VAL A 49 8.103 6.845 -1.946 1.00 0.00 C ATOM 730 C VAL A 49 7.518 6.123 -3.154 1.00 0.00 C ATOM 731 O VAL A 49 8.239 5.470 -3.909 1.00 0.00 O ATOM 732 CB VAL A 49 8.665 8.207 -2.398 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.572 9.049 -3.039 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.293 8.940 -1.222 1.00 0.00 C ATOM 0 H VAL A 49 9.993 5.946 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 49 7.316 7.010 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 49 9.440 8.032 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.987 10.007 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.172 8.526 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.773 9.218 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.685 9.900 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.539 9.106 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.105 8.340 -0.811 1.00 0.00 H new ATOM 744 N PHE A 50 6.207 6.244 -3.331 1.00 0.00 N ATOM 745 CA PHE A 50 5.524 5.602 -4.448 1.00 0.00 C ATOM 746 C PHE A 50 4.294 6.402 -4.866 1.00 0.00 C ATOM 747 O PHE A 50 3.336 6.535 -4.103 1.00 0.00 O ATOM 748 CB PHE A 50 5.115 4.176 -4.072 1.00 0.00 C ATOM 749 CG PHE A 50 6.206 3.399 -3.393 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.292 2.929 -4.114 1.00 0.00 C ATOM 751 CD2 PHE A 50 6.146 3.139 -2.033 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.298 2.214 -3.492 1.00 0.00 C ATOM 753 CE2 PHE A 50 7.150 2.425 -1.406 1.00 0.00 C ATOM 754 CZ PHE A 50 8.226 1.961 -2.136 1.00 0.00 C ATOM 0 H PHE A 50 5.596 6.781 -2.715 1.00 0.00 H new ATOM 0 HA PHE A 50 6.215 5.564 -5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.246 4.217 -3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.808 3.645 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.353 3.124 -5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.306 3.498 -1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.139 1.854 -4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.093 2.230 -0.345 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.010 1.401 -1.648 1.00 0.00 H new ATOM 764 N THR A 51 4.327 6.935 -6.084 1.00 0.00 N ATOM 765 CA THR A 51 3.218 7.724 -6.604 1.00 0.00 C ATOM 766 C THR A 51 2.166 6.832 -7.253 1.00 0.00 C ATOM 767 O THR A 51 2.467 6.063 -8.167 1.00 0.00 O ATOM 768 CB THR A 51 3.700 8.762 -7.634 1.00 0.00 C ATOM 769 OG1 THR A 51 4.768 8.215 -8.417 1.00 0.00 O ATOM 770 CG2 THR A 51 4.170 10.033 -6.943 1.00 0.00 C ATOM 0 H THR A 51 5.111 6.834 -6.729 1.00 0.00 H new ATOM 0 HA THR A 51 2.776 8.245 -5.755 1.00 0.00 H new ATOM 0 HB THR A 51 2.862 9.011 -8.286 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.068 8.880 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.506 10.751 -7.691 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.347 10.462 -6.372 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.995 9.798 -6.270 1.00 0.00 H new ATOM 778 N LEU A 52 0.930 6.939 -6.775 1.00 0.00 N ATOM 779 CA LEU A 52 -0.168 6.141 -7.310 1.00 0.00 C ATOM 780 C LEU A 52 -1.494 6.882 -7.176 1.00 0.00 C ATOM 781 O LEU A 52 -1.720 7.635 -6.228 1.00 0.00 O ATOM 782 CB LEU A 52 -0.247 4.796 -6.587 1.00 0.00 C ATOM 783 CG LEU A 52 1.077 4.054 -6.402 1.00 0.00 C ATOM 784 CD1 LEU A 52 0.942 2.977 -5.338 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.538 3.449 -7.720 1.00 0.00 C ATOM 0 H LEU A 52 0.664 7.570 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 52 0.024 5.966 -8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.689 4.960 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.929 4.149 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 52 1.829 4.770 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.894 2.460 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.659 3.435 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.176 2.262 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.482 2.925 -7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.786 2.747 -8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.677 4.242 -8.455 1.00 0.00 H new ATOM 797 N PRO A 53 -2.395 6.664 -8.146 1.00 0.00 N ATOM 798 CA PRO A 53 -3.716 7.300 -8.157 1.00 0.00 C ATOM 799 C PRO A 53 -4.626 6.766 -7.057 1.00 0.00 C ATOM 800 O PRO A 53 -4.342 5.733 -6.449 1.00 0.00 O ATOM 801 CB PRO A 53 -4.273 6.937 -9.536 1.00 0.00 C ATOM 802 CG PRO A 53 -3.567 5.679 -9.910 1.00 0.00 C ATOM 803 CD PRO A 53 -2.194 5.780 -9.306 1.00 0.00 C ATOM 0 HA PRO A 53 -3.653 8.373 -7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.352 6.790 -9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.083 7.728 -10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.097 4.806 -9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.510 5.571 -10.993 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.814 4.803 -9.006 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.475 6.199 -10.010 1.00 0.00 H new ATOM 811 N LEU A 54 -5.721 7.475 -6.805 1.00 0.00 N ATOM 812 CA LEU A 54 -6.674 7.071 -5.777 1.00 0.00 C ATOM 813 C LEU A 54 -7.789 6.217 -6.373 1.00 0.00 C ATOM 814 O LEU A 54 -8.852 6.725 -6.731 1.00 0.00 O ATOM 815 CB LEU A 54 -7.270 8.303 -5.094 1.00 0.00 C ATOM 816 CG LEU A 54 -6.349 9.043 -4.124 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.786 8.085 -3.085 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.224 9.736 -4.879 1.00 0.00 C ATOM 0 H LEU A 54 -5.971 8.332 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.141 6.475 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.589 9.003 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.165 7.996 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.934 9.803 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.133 8.630 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.605 7.637 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.217 7.301 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.579 10.257 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.640 8.994 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.646 10.454 -5.583 1.00 0.00 H new ATOM 830 N THR A 55 -7.540 4.915 -6.476 1.00 0.00 N ATOM 831 CA THR A 55 -8.521 3.990 -7.027 1.00 0.00 C ATOM 832 C THR A 55 -8.768 2.821 -6.080 1.00 0.00 C ATOM 833 O THR A 55 -9.884 2.625 -5.599 1.00 0.00 O ATOM 834 CB THR A 55 -8.071 3.442 -8.394 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.705 3.017 -8.326 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.225 4.498 -9.478 1.00 0.00 C ATOM 0 H THR A 55 -6.666 4.478 -6.184 1.00 0.00 H new ATOM 0 HA THR A 55 -9.446 4.551 -7.156 1.00 0.00 H new ATOM 0 HB THR A 55 -8.704 2.591 -8.645 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.427 2.668 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.901 4.088 -10.434 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.271 4.798 -9.548 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.614 5.366 -9.230 1.00 0.00 H new ATOM 844 N ASP A 56 -7.720 2.048 -5.816 1.00 0.00 N ATOM 845 CA ASP A 56 -7.823 0.899 -4.924 1.00 0.00 C ATOM 846 C ASP A 56 -7.686 1.328 -3.467 1.00 0.00 C ATOM 847 O ASP A 56 -7.610 2.519 -3.166 1.00 0.00 O ATOM 848 CB ASP A 56 -6.752 -0.137 -5.267 1.00 0.00 C ATOM 849 CG ASP A 56 -7.115 -0.965 -6.485 1.00 0.00 C ATOM 850 OD1 ASP A 56 -7.136 -0.402 -7.599 1.00 0.00 O ATOM 851 OD2 ASP A 56 -7.379 -2.175 -6.323 1.00 0.00 O ATOM 0 H ASP A 56 -6.790 2.196 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.807 0.451 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.804 0.370 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.604 -0.798 -4.413 1.00 0.00 H new ATOM 856 N GLN A 57 -7.656 0.349 -2.568 1.00 0.00 N ATOM 857 CA GLN A 57 -7.530 0.627 -1.142 1.00 0.00 C ATOM 858 C GLN A 57 -6.065 0.780 -0.744 1.00 0.00 C ATOM 859 O GLN A 57 -5.175 0.761 -1.595 1.00 0.00 O ATOM 860 CB GLN A 57 -8.179 -0.491 -0.324 1.00 0.00 C ATOM 861 CG GLN A 57 -9.696 -0.512 -0.418 1.00 0.00 C ATOM 862 CD GLN A 57 -10.275 -1.897 -0.203 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.727 -2.701 0.552 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.389 -2.183 -0.866 1.00 0.00 N ATOM 0 H GLN A 57 -7.717 -0.642 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.044 1.565 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.789 -1.451 -0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.890 -0.380 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.112 0.170 0.323 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.001 -0.143 -1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.809 -1.487 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.825 -3.099 -0.760 1.00 0.00 H new ATOM 873 N VAL A 58 -5.822 0.931 0.553 1.00 0.00 N ATOM 874 CA VAL A 58 -4.465 1.086 1.064 1.00 0.00 C ATOM 875 C VAL A 58 -3.676 -0.211 0.929 1.00 0.00 C ATOM 876 O VAL A 58 -2.453 -0.222 1.068 1.00 0.00 O ATOM 877 CB VAL A 58 -4.468 1.522 2.541 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.048 1.763 3.030 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.324 2.766 2.728 1.00 0.00 C ATOM 0 H VAL A 58 -6.547 0.949 1.270 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.988 1.862 0.465 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.900 0.719 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.070 2.070 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.469 0.844 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.585 2.547 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.315 3.060 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.924 3.578 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.348 2.553 2.420 1.00 0.00 H new ATOM 889 N SER A 59 -4.384 -1.303 0.658 1.00 0.00 N ATOM 890 CA SER A 59 -3.749 -2.607 0.508 1.00 0.00 C ATOM 891 C SER A 59 -2.722 -2.585 -0.620 1.00 0.00 C ATOM 892 O SER A 59 -1.838 -3.439 -0.688 1.00 0.00 O ATOM 893 CB SER A 59 -4.803 -3.681 0.232 1.00 0.00 C ATOM 894 OG SER A 59 -5.729 -3.248 -0.750 1.00 0.00 O ATOM 0 H SER A 59 -5.397 -1.311 0.538 1.00 0.00 H new ATOM 0 HA SER A 59 -3.234 -2.843 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.315 -4.596 -0.103 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.332 -3.921 1.154 1.00 0.00 H new ATOM 0 HG SER A 59 -6.391 -3.953 -0.909 1.00 0.00 H new ATOM 900 N VAL A 60 -2.846 -1.601 -1.506 1.00 0.00 N ATOM 901 CA VAL A 60 -1.929 -1.465 -2.631 1.00 0.00 C ATOM 902 C VAL A 60 -0.653 -0.741 -2.216 1.00 0.00 C ATOM 903 O VAL A 60 0.375 -0.839 -2.887 1.00 0.00 O ATOM 904 CB VAL A 60 -2.582 -0.702 -3.798 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.689 -1.533 -4.427 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.116 0.641 -3.324 1.00 0.00 C ATOM 0 H VAL A 60 -3.573 -0.887 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.680 -2.474 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.823 -0.518 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.139 -0.977 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.273 -2.467 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.450 -1.751 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.574 1.167 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.861 0.482 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.296 1.238 -2.925 1.00 0.00 H new ATOM 916 N ILE A 61 -0.725 -0.016 -1.105 1.00 0.00 N ATOM 917 CA ILE A 61 0.425 0.723 -0.599 1.00 0.00 C ATOM 918 C ILE A 61 1.336 -0.177 0.229 1.00 0.00 C ATOM 919 O ILE A 61 2.541 0.058 0.323 1.00 0.00 O ATOM 920 CB ILE A 61 -0.012 1.924 0.262 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.817 2.916 -0.580 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.202 2.604 0.875 1.00 0.00 C ATOM 923 CD1 ILE A 61 -1.562 3.942 0.245 1.00 0.00 C ATOM 0 H ILE A 61 -1.568 0.075 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 61 0.972 1.089 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.648 1.562 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.142 3.431 -1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.531 2.365 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.878 3.450 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.739 1.893 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.861 2.957 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.111 4.612 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.262 3.436 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.851 4.518 0.837 1.00 0.00 H new ATOM 935 N LYS A 62 0.752 -1.210 0.828 1.00 0.00 N ATOM 936 CA LYS A 62 1.510 -2.149 1.646 1.00 0.00 C ATOM 937 C LYS A 62 2.263 -3.147 0.772 1.00 0.00 C ATOM 938 O LYS A 62 3.466 -3.349 0.939 1.00 0.00 O ATOM 939 CB LYS A 62 0.576 -2.894 2.601 1.00 0.00 C ATOM 940 CG LYS A 62 0.123 -2.058 3.786 1.00 0.00 C ATOM 941 CD LYS A 62 -1.205 -2.547 4.338 1.00 0.00 C ATOM 942 CE LYS A 62 -1.612 -1.770 5.581 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.450 -2.590 6.499 1.00 0.00 N ATOM 0 H LYS A 62 -0.244 -1.418 0.762 1.00 0.00 H new ATOM 0 HA LYS A 62 2.237 -1.582 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.301 -3.231 2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.083 -3.786 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.880 -2.096 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.030 -1.015 3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.977 -2.445 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.132 -3.608 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.719 -1.434 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.163 -0.877 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.067 -1.966 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.034 -3.246 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.835 -3.132 7.139 1.00 0.00 H new ATOM 957 N VAL A 63 1.548 -3.768 -0.160 1.00 0.00 N ATOM 958 CA VAL A 63 2.149 -4.743 -1.062 1.00 0.00 C ATOM 959 C VAL A 63 3.504 -4.261 -1.569 1.00 0.00 C ATOM 960 O VAL A 63 4.445 -5.043 -1.699 1.00 0.00 O ATOM 961 CB VAL A 63 1.235 -5.031 -2.268 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.277 -3.877 -3.257 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.636 -6.336 -2.940 1.00 0.00 C ATOM 0 H VAL A 63 0.551 -3.613 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 63 2.284 -5.661 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 63 0.211 -5.133 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.625 -4.098 -4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.938 -2.965 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.298 -3.739 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.980 -6.524 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.667 -6.265 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.548 -7.155 -2.226 1.00 0.00 H new ATOM 973 N LYS A 64 3.596 -2.966 -1.854 1.00 0.00 N ATOM 974 CA LYS A 64 4.835 -2.377 -2.345 1.00 0.00 C ATOM 975 C LYS A 64 5.971 -2.590 -1.350 1.00 0.00 C ATOM 976 O LYS A 64 7.060 -3.029 -1.721 1.00 0.00 O ATOM 977 CB LYS A 64 4.645 -0.881 -2.605 1.00 0.00 C ATOM 978 CG LYS A 64 3.537 -0.572 -3.597 1.00 0.00 C ATOM 979 CD LYS A 64 4.001 -0.768 -5.031 1.00 0.00 C ATOM 980 CE LYS A 64 2.826 -0.973 -5.975 1.00 0.00 C ATOM 981 NZ LYS A 64 2.323 0.317 -6.522 1.00 0.00 N ATOM 0 H LYS A 64 2.826 -2.305 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 64 5.097 -2.872 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.426 -0.382 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.581 -0.464 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.681 -1.217 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.201 0.456 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.578 0.100 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.666 -1.630 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.129 -1.622 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.020 -1.482 -5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.382 0.518 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.977 1.083 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.258 0.253 -7.558 1.00 0.00 H new ATOM 995 N ILE A 65 5.710 -2.277 -0.085 1.00 0.00 N ATOM 996 CA ILE A 65 6.710 -2.437 0.963 1.00 0.00 C ATOM 997 C ILE A 65 7.380 -3.804 0.880 1.00 0.00 C ATOM 998 O ILE A 65 8.598 -3.903 0.733 1.00 0.00 O ATOM 999 CB ILE A 65 6.090 -2.265 2.363 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.524 -0.853 2.524 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.126 -2.553 3.440 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.863 -0.617 3.865 1.00 0.00 C ATOM 0 H ILE A 65 4.815 -1.911 0.239 1.00 0.00 H new ATOM 0 HA ILE A 65 7.458 -1.659 0.807 1.00 0.00 H new ATOM 0 HB ILE A 65 5.273 -2.978 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.329 -0.130 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.798 -0.669 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.673 -2.427 4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.486 -3.576 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.962 -1.862 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.485 0.404 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.036 -1.316 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.591 -0.769 4.661 1.00 0.00 H new ATOM 1014 N HIS A 66 6.575 -4.858 0.974 1.00 0.00 N ATOM 1015 CA HIS A 66 7.089 -6.221 0.907 1.00 0.00 C ATOM 1016 C HIS A 66 7.934 -6.422 -0.348 1.00 0.00 C ATOM 1017 O HIS A 66 8.923 -7.153 -0.331 1.00 0.00 O ATOM 1018 CB HIS A 66 5.937 -7.225 0.927 1.00 0.00 C ATOM 1019 CG HIS A 66 6.383 -8.647 1.080 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.366 -9.557 0.045 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.863 -9.313 2.156 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.814 -10.722 0.478 1.00 0.00 C ATOM 1023 NE2 HIS A 66 7.123 -10.600 1.756 1.00 0.00 N ATOM 0 H HIS A 66 5.564 -4.794 1.097 1.00 0.00 H new ATOM 0 HA HIS A 66 7.721 -6.388 1.779 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.262 -6.975 1.746 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.367 -7.129 0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.013 -8.907 3.145 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.911 -11.621 -0.113 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.495 -11.342 2.350 1.00 0.00 H new ATOM 1032 N GLU A 67 7.534 -5.769 -1.435 1.00 0.00 N ATOM 1033 CA GLU A 67 8.254 -5.878 -2.698 1.00 0.00 C ATOM 1034 C GLU A 67 9.718 -5.484 -2.526 1.00 0.00 C ATOM 1035 O GLU A 67 10.621 -6.275 -2.797 1.00 0.00 O ATOM 1036 CB GLU A 67 7.598 -4.995 -3.762 1.00 0.00 C ATOM 1037 CG GLU A 67 7.671 -5.576 -5.164 1.00 0.00 C ATOM 1038 CD GLU A 67 9.091 -5.888 -5.594 1.00 0.00 C ATOM 1039 OE1 GLU A 67 9.774 -4.969 -6.093 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.519 -7.050 -5.432 1.00 0.00 O ATOM 0 H GLU A 67 6.716 -5.160 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 67 8.212 -6.918 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.553 -4.837 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.079 -4.017 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.074 -6.487 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.229 -4.872 -5.868 1.00 0.00 H new ATOM 1047 N ALA A 68 9.944 -4.255 -2.075 1.00 0.00 N ATOM 1048 CA ALA A 68 11.298 -3.755 -1.866 1.00 0.00 C ATOM 1049 C ALA A 68 11.903 -4.329 -0.589 1.00 0.00 C ATOM 1050 O ALA A 68 12.957 -4.966 -0.621 1.00 0.00 O ATOM 1051 CB ALA A 68 11.297 -2.234 -1.814 1.00 0.00 C ATOM 0 H ALA A 68 9.208 -3.587 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 68 11.912 -4.078 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.314 -1.875 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.913 -1.838 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.663 -1.898 -0.993 1.00 0.00 H new ATOM 1057 N THR A 69 11.231 -4.099 0.535 1.00 0.00 N ATOM 1058 CA THR A 69 11.704 -4.591 1.822 1.00 0.00 C ATOM 1059 C THR A 69 11.118 -5.964 2.135 1.00 0.00 C ATOM 1060 O THR A 69 10.066 -6.334 1.615 1.00 0.00 O ATOM 1061 CB THR A 69 11.343 -3.620 2.962 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.920 -3.530 3.098 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.920 -2.238 2.698 1.00 0.00 C ATOM 0 H THR A 69 10.357 -3.575 0.579 1.00 0.00 H new ATOM 0 HA THR A 69 12.789 -4.669 1.751 1.00 0.00 H new ATOM 0 HB THR A 69 11.772 -4.006 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.494 -3.794 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.652 -1.570 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.005 -2.305 2.625 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.517 -1.848 1.764 1.00 0.00 H new ATOM 1071 N GLY A 70 11.806 -6.715 2.989 1.00 0.00 N ATOM 1072 CA GLY A 70 11.337 -8.039 3.357 1.00 0.00 C ATOM 1073 C GLY A 70 10.299 -8.000 4.461 1.00 0.00 C ATOM 1074 O GLY A 70 10.216 -8.918 5.276 1.00 0.00 O ATOM 0 H GLY A 70 12.679 -6.431 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.912 -8.527 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.184 -8.644 3.680 1.00 0.00 H new ATOM 1078 N MET A 71 9.506 -6.934 4.488 1.00 0.00 N ATOM 1079 CA MET A 71 8.468 -6.780 5.501 1.00 0.00 C ATOM 1080 C MET A 71 7.108 -7.203 4.954 1.00 0.00 C ATOM 1081 O MET A 71 6.719 -6.842 3.843 1.00 0.00 O ATOM 1082 CB MET A 71 8.408 -5.329 5.983 1.00 0.00 C ATOM 1083 CG MET A 71 7.677 -5.158 7.305 1.00 0.00 C ATOM 1084 SD MET A 71 7.902 -3.517 8.016 1.00 0.00 S ATOM 1085 CE MET A 71 7.434 -3.818 9.719 1.00 0.00 C ATOM 0 H MET A 71 9.562 -6.165 3.821 1.00 0.00 H new ATOM 0 HA MET A 71 8.718 -7.425 6.343 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.424 -4.947 6.087 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.915 -4.722 5.223 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.613 -5.341 7.154 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.032 -5.908 8.012 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.522 -3.266 9.949 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.260 -4.884 9.865 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.235 -3.487 10.380 1.00 0.00 H new ATOM 1095 N PRO A 72 6.367 -7.986 5.751 1.00 0.00 N ATOM 1096 CA PRO A 72 5.039 -8.475 5.368 1.00 0.00 C ATOM 1097 C PRO A 72 3.999 -7.360 5.332 1.00 0.00 C ATOM 1098 O PRO A 72 4.211 -6.283 5.889 1.00 0.00 O ATOM 1099 CB PRO A 72 4.702 -9.485 6.467 1.00 0.00 C ATOM 1100 CG PRO A 72 5.501 -9.045 7.645 1.00 0.00 C ATOM 1101 CD PRO A 72 6.767 -8.455 7.089 1.00 0.00 C ATOM 0 HA PRO A 72 5.035 -8.900 4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.635 -9.486 6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.965 -10.499 6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.954 -8.310 8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.719 -9.885 8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.135 -7.637 7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.565 -9.196 7.033 1.00 0.00 H new ATOM 1109 N ALA A 73 2.875 -7.626 4.675 1.00 0.00 N ATOM 1110 CA ALA A 73 1.801 -6.646 4.569 1.00 0.00 C ATOM 1111 C ALA A 73 0.780 -6.828 5.687 1.00 0.00 C ATOM 1112 O ALA A 73 -0.425 -6.857 5.441 1.00 0.00 O ATOM 1113 CB ALA A 73 1.124 -6.750 3.211 1.00 0.00 C ATOM 0 H ALA A 73 2.684 -8.512 4.208 1.00 0.00 H new ATOM 0 HA ALA A 73 2.238 -5.652 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.324 -6.012 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.855 -6.563 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.707 -7.749 3.088 1.00 0.00 H new ATOM 1119 N GLY A 74 1.271 -6.951 6.917 1.00 0.00 N ATOM 1120 CA GLY A 74 0.387 -7.130 8.053 1.00 0.00 C ATOM 1121 C GLY A 74 0.921 -6.475 9.312 1.00 0.00 C ATOM 1122 O GLY A 74 0.448 -5.413 9.717 1.00 0.00 O ATOM 0 H GLY A 74 2.265 -6.930 7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.592 -6.713 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.244 -8.195 8.234 1.00 0.00 H new ATOM 1126 N LYS A 75 1.909 -7.110 9.933 1.00 0.00 N ATOM 1127 CA LYS A 75 2.509 -6.584 11.154 1.00 0.00 C ATOM 1128 C LYS A 75 2.728 -5.078 11.047 1.00 0.00 C ATOM 1129 O LYS A 75 2.414 -4.329 11.972 1.00 0.00 O ATOM 1130 CB LYS A 75 3.840 -7.285 11.436 1.00 0.00 C ATOM 1131 CG LYS A 75 3.685 -8.628 12.128 1.00 0.00 C ATOM 1132 CD LYS A 75 4.941 -9.472 11.995 1.00 0.00 C ATOM 1133 CE LYS A 75 5.059 -10.081 10.607 1.00 0.00 C ATOM 1134 NZ LYS A 75 4.321 -11.370 10.501 1.00 0.00 N ATOM 0 H LYS A 75 2.312 -7.990 9.611 1.00 0.00 H new ATOM 0 HA LYS A 75 1.823 -6.776 11.979 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.371 -7.430 10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.459 -6.636 12.055 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.461 -8.471 13.183 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.838 -9.164 11.699 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.817 -8.857 12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.928 -10.266 12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.671 -9.379 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.110 -10.244 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.426 -11.752 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.707 -12.049 11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.313 -11.210 10.701 1.00 0.00 H new ATOM 1148 N GLN A 76 3.267 -4.642 9.913 1.00 0.00 N ATOM 1149 CA GLN A 76 3.527 -3.225 9.686 1.00 0.00 C ATOM 1150 C GLN A 76 2.258 -2.401 9.879 1.00 0.00 C ATOM 1151 O GLN A 76 1.189 -2.764 9.388 1.00 0.00 O ATOM 1152 CB GLN A 76 4.082 -3.006 8.278 1.00 0.00 C ATOM 1153 CG GLN A 76 3.142 -3.464 7.175 1.00 0.00 C ATOM 1154 CD GLN A 76 3.458 -2.827 5.836 1.00 0.00 C ATOM 1155 OE1 GLN A 76 3.122 -1.667 5.593 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.107 -3.582 4.959 1.00 0.00 N ATOM 0 H GLN A 76 3.532 -5.249 9.137 1.00 0.00 H new ATOM 0 HA GLN A 76 4.267 -2.896 10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.298 -1.946 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.028 -3.539 8.182 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.201 -4.548 7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.116 -3.224 7.454 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.366 -4.538 5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.347 -3.206 4.042 1.00 0.00 H new ATOM 1165 N LYS A 77 2.384 -1.291 10.598 1.00 0.00 N ATOM 1166 CA LYS A 77 1.248 -0.414 10.856 1.00 0.00 C ATOM 1167 C LYS A 77 1.467 0.959 10.229 1.00 0.00 C ATOM 1168 O LYS A 77 2.376 1.693 10.618 1.00 0.00 O ATOM 1169 CB LYS A 77 1.022 -0.267 12.363 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.423 0.014 12.737 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.744 -0.486 14.136 1.00 0.00 C ATOM 1172 CE LYS A 77 0.004 0.307 15.197 1.00 0.00 C ATOM 1173 NZ LYS A 77 -0.498 1.704 15.302 1.00 0.00 N ATOM 0 H LYS A 77 3.262 -0.977 11.013 1.00 0.00 H new ATOM 0 HA LYS A 77 0.364 -0.864 10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.346 -1.181 12.861 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.650 0.541 12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.613 1.086 12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.086 -0.466 12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.817 -0.411 14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.481 -1.541 14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.100 -0.190 16.162 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.067 0.320 14.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.276 2.367 15.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.268 1.849 14.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.854 1.873 16.264 1.00 0.00 H new ATOM 1187 N LEU A 78 0.628 1.300 9.256 1.00 0.00 N ATOM 1188 CA LEU A 78 0.729 2.586 8.575 1.00 0.00 C ATOM 1189 C LEU A 78 0.013 3.678 9.364 1.00 0.00 C ATOM 1190 O LEU A 78 -1.139 3.513 9.764 1.00 0.00 O ATOM 1191 CB LEU A 78 0.139 2.488 7.168 1.00 0.00 C ATOM 1192 CG LEU A 78 0.639 1.325 6.310 1.00 0.00 C ATOM 1193 CD1 LEU A 78 -0.034 1.340 4.946 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.152 1.386 6.160 1.00 0.00 C ATOM 0 H LEU A 78 -0.129 0.704 8.922 1.00 0.00 H new ATOM 0 HA LEU A 78 1.784 2.849 8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.945 2.410 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.350 3.419 6.641 1.00 0.00 H new ATOM 0 HG LEU A 78 0.380 0.392 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.334 0.505 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.113 1.248 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.194 2.277 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.491 0.551 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.433 2.325 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.618 1.326 7.144 1.00 0.00 H new ATOM 1206 N GLN A 79 0.703 4.793 9.583 1.00 0.00 N ATOM 1207 CA GLN A 79 0.131 5.912 10.322 1.00 0.00 C ATOM 1208 C GLN A 79 0.063 7.162 9.451 1.00 0.00 C ATOM 1209 O GLN A 79 1.058 7.565 8.848 1.00 0.00 O ATOM 1210 CB GLN A 79 0.957 6.195 11.578 1.00 0.00 C ATOM 1211 CG GLN A 79 0.153 6.823 12.706 1.00 0.00 C ATOM 1212 CD GLN A 79 1.021 7.247 13.874 1.00 0.00 C ATOM 1213 OE1 GLN A 79 2.139 6.760 14.042 1.00 0.00 O ATOM 1214 NE2 GLN A 79 0.509 8.161 14.691 1.00 0.00 N ATOM 0 H GLN A 79 1.658 4.945 9.259 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.883 5.641 10.616 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.396 5.262 11.932 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.782 6.858 11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.385 7.691 12.324 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.596 6.111 13.054 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.422 8.538 14.515 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.047 8.485 15.495 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.116 7.770 9.390 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.314 8.973 8.590 1.00 0.00 C ATOM 1225 C TYR A 80 -2.208 9.971 9.320 1.00 0.00 C ATOM 1226 O TYR A 80 -3.376 9.692 9.590 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.929 8.616 7.236 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.533 9.798 6.514 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.731 10.820 6.021 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.906 9.895 6.326 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.279 11.903 5.361 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.463 10.974 5.666 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.645 11.975 5.185 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.195 13.052 4.529 1.00 0.00 O ATOM 0 H TYR A 80 -1.949 7.450 9.884 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.340 9.435 8.428 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.161 8.169 6.604 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.700 7.860 7.385 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.661 10.767 6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.549 9.113 6.702 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.641 12.689 4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.532 11.033 5.528 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.555 13.396 3.871 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.650 11.136 9.635 1.00 0.00 N ATOM 1245 CA GLU A 81 -2.397 12.176 10.334 1.00 0.00 C ATOM 1246 C GLU A 81 -3.053 11.620 11.594 1.00 0.00 C ATOM 1247 O GLU A 81 -4.204 11.933 11.897 1.00 0.00 O ATOM 1248 CB GLU A 81 -3.462 12.776 9.413 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.888 13.454 8.180 1.00 0.00 C ATOM 1250 CD GLU A 81 -2.425 14.871 8.456 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -3.091 15.570 9.247 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -1.394 15.280 7.881 1.00 0.00 O ATOM 0 H GLU A 81 -0.685 11.383 9.418 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.696 12.958 10.625 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.145 11.987 9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.050 13.501 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.049 12.868 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.643 13.469 7.394 1.00 0.00 H new ATOM 1259 N GLY A 82 -2.312 10.794 12.326 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.838 10.207 13.545 1.00 0.00 C ATOM 1261 C GLY A 82 -3.881 9.142 13.272 1.00 0.00 C ATOM 1262 O GLY A 82 -4.718 8.850 14.127 1.00 0.00 O ATOM 0 H GLY A 82 -1.356 10.521 12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.019 9.771 14.117 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.277 10.991 14.162 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.834 8.561 12.078 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.783 7.523 11.695 1.00 0.00 C ATOM 1268 C ILE A 83 -4.067 6.218 11.367 1.00 0.00 C ATOM 1269 O ILE A 83 -2.987 6.221 10.774 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.627 7.952 10.481 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.321 9.287 10.760 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.651 6.879 10.141 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.935 9.918 9.530 1.00 0.00 C ATOM 0 H ILE A 83 -3.148 8.792 11.359 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.443 7.368 12.549 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.965 8.080 9.625 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.100 9.133 11.507 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.598 9.980 11.191 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.240 7.197 9.281 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.137 5.947 9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.311 6.722 10.994 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.409 10.861 9.803 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.157 10.104 8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.682 9.244 9.110 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.676 5.102 11.754 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.097 3.788 11.499 1.00 0.00 C ATOM 1287 C PHE A 84 -4.718 3.150 10.260 1.00 0.00 C ATOM 1288 O PHE A 84 -5.148 1.996 10.292 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.297 2.875 12.711 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.684 3.412 13.973 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.310 3.550 14.087 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.482 3.778 15.046 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.744 4.043 15.247 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -3.921 4.271 16.209 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.550 4.405 16.309 1.00 0.00 C ATOM 0 H PHE A 84 -5.570 5.081 12.245 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.029 3.918 11.322 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.365 2.725 12.870 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.866 1.897 12.495 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.675 3.269 13.260 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.555 3.677 14.972 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.672 4.145 15.323 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.554 4.551 17.038 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.109 4.792 17.216 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.763 3.909 9.171 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.331 3.419 7.921 1.00 0.00 C ATOM 1307 C ILE A 85 -5.095 1.920 7.761 1.00 0.00 C ATOM 1308 O ILE A 85 -3.993 1.425 7.994 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.736 4.153 6.706 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.209 4.072 6.730 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.195 5.604 6.687 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.556 4.580 5.464 1.00 0.00 C ATOM 0 H ILE A 85 -4.413 4.866 9.129 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.403 3.614 7.963 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.092 3.667 5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.836 4.647 7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.911 3.036 6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.766 6.110 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.283 5.641 6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.865 6.102 7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.473 4.492 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.900 3.989 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.824 5.625 5.311 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.139 1.203 7.359 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.047 -0.239 7.163 1.00 0.00 C ATOM 1326 C LYS A 86 -6.079 -0.590 5.679 1.00 0.00 C ATOM 1327 O LYS A 86 -6.372 0.259 4.837 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.192 -0.948 7.890 1.00 0.00 C ATOM 1329 CG LYS A 86 -6.914 -1.198 9.363 1.00 0.00 C ATOM 1330 CD LYS A 86 -7.440 -0.066 10.229 1.00 0.00 C ATOM 1331 CE LYS A 86 -7.114 -0.291 11.698 1.00 0.00 C ATOM 1332 NZ LYS A 86 -5.647 -0.276 11.949 1.00 0.00 N ATOM 0 H LYS A 86 -7.059 1.597 7.163 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.097 -0.576 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.097 -0.348 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.388 -1.901 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.378 -2.136 9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.841 -1.308 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.006 0.878 9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.519 0.018 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.593 0.482 12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.528 -1.247 12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.470 -0.143 12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.233 -1.179 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.212 0.504 11.417 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.777 -1.845 5.366 1.00 0.00 N ATOM 1347 CA ASP A 87 -5.774 -2.309 3.983 1.00 0.00 C ATOM 1348 C ASP A 87 -7.190 -2.331 3.415 1.00 0.00 C ATOM 1349 O ASP A 87 -7.414 -1.947 2.267 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.153 -3.703 3.892 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.330 -4.501 5.169 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -6.458 -4.972 5.423 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -4.340 -4.655 5.914 1.00 0.00 O ATOM 0 H ASP A 87 -5.531 -2.560 6.051 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.176 -1.614 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.606 -4.246 3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.090 -3.610 3.670 1.00 0.00 H new ATOM 1358 N SER A 88 -8.141 -2.784 4.225 1.00 0.00 N ATOM 1359 CA SER A 88 -9.534 -2.861 3.801 1.00 0.00 C ATOM 1360 C SER A 88 -10.100 -1.469 3.542 1.00 0.00 C ATOM 1361 O SER A 88 -11.002 -1.296 2.723 1.00 0.00 O ATOM 1362 CB SER A 88 -10.373 -3.576 4.862 1.00 0.00 C ATOM 1363 OG SER A 88 -10.241 -2.948 6.125 1.00 0.00 O ATOM 0 H SER A 88 -7.972 -3.103 5.179 1.00 0.00 H new ATOM 0 HA SER A 88 -9.575 -3.430 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.421 -3.578 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.061 -4.618 4.936 1.00 0.00 H new ATOM 0 HG SER A 88 -10.788 -3.423 6.785 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.564 -0.477 4.246 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.016 0.901 4.093 1.00 0.00 C ATOM 1371 C ASN A 89 -9.531 1.489 2.771 1.00 0.00 C ATOM 1372 O ASN A 89 -8.453 1.147 2.287 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.514 1.756 5.259 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.380 1.612 6.496 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.068 2.550 6.898 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -10.348 0.433 7.106 1.00 0.00 N ATOM 0 H ASN A 89 -8.816 -0.602 4.928 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.106 0.902 4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.490 1.471 5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.490 2.802 4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.909 0.277 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.763 -0.316 6.737 1.00 0.00 H new ATOM 1383 N SER A 90 -10.337 2.374 2.193 1.00 0.00 N ATOM 1384 CA SER A 90 -9.992 3.008 0.926 1.00 0.00 C ATOM 1385 C SER A 90 -9.342 4.368 1.158 1.00 0.00 C ATOM 1386 O SER A 90 -9.653 5.061 2.127 1.00 0.00 O ATOM 1387 CB SER A 90 -11.240 3.168 0.056 1.00 0.00 C ATOM 1388 OG SER A 90 -11.912 1.931 -0.105 1.00 0.00 O ATOM 0 H SER A 90 -11.233 2.668 2.582 1.00 0.00 H new ATOM 0 HA SER A 90 -9.277 2.367 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.913 3.895 0.511 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.958 3.562 -0.920 1.00 0.00 H new ATOM 0 HG SER A 90 -12.707 2.061 -0.663 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.437 4.744 0.261 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.741 6.022 0.366 1.00 0.00 C ATOM 1396 C LEU A 91 -8.719 7.186 0.243 1.00 0.00 C ATOM 1397 O LEU A 91 -8.713 8.103 1.064 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.664 6.129 -0.716 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.421 5.263 -0.513 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -5.562 3.944 -1.257 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.174 6.005 -0.972 1.00 0.00 C ATOM 0 H LEU A 91 -8.168 4.182 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.268 6.071 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.113 5.867 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.349 7.170 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.321 5.048 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.668 3.341 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.433 3.406 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.687 4.139 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.298 5.374 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.265 6.250 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.064 6.923 -0.395 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.559 7.141 -0.786 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.545 8.190 -1.013 1.00 0.00 C ATOM 1415 C ALA A 92 -11.301 8.519 0.270 1.00 0.00 C ATOM 1416 O ALA A 92 -11.398 9.682 0.663 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.516 7.773 -2.108 1.00 0.00 C ATOM 0 H ALA A 92 -9.576 6.389 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.017 9.088 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.247 8.566 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.967 7.595 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.031 6.860 -1.810 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.836 7.490 0.917 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.586 7.671 2.154 1.00 0.00 C ATOM 1425 C TYR A 93 -11.831 8.577 3.122 1.00 0.00 C ATOM 1426 O TYR A 93 -12.392 9.529 3.665 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.859 6.318 2.813 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.570 6.424 4.142 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.902 6.866 5.277 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.911 6.081 4.265 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.548 6.964 6.494 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.566 6.177 5.477 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.880 6.619 6.589 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.527 6.715 7.799 1.00 0.00 O ATOM 0 H TYR A 93 -11.764 6.521 0.605 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.536 8.145 1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.459 5.709 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.913 5.796 2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.859 7.138 5.207 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.451 5.733 3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.013 7.309 7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.609 5.908 5.554 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.460 6.436 7.694 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.555 8.274 3.331 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.721 9.059 4.234 1.00 0.00 C ATOM 1446 C TYR A 94 -9.525 10.476 3.702 1.00 0.00 C ATOM 1447 O TYR A 94 -9.284 11.410 4.465 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.363 8.382 4.427 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.443 7.063 5.162 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.975 6.991 6.443 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.987 5.890 4.574 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.049 5.788 7.119 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.058 4.682 5.242 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.590 4.637 6.514 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.663 3.436 7.183 1.00 0.00 O ATOM 0 H TYR A 94 -10.075 7.491 2.888 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.229 9.119 5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.907 8.217 3.451 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.706 9.055 4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.337 7.890 6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.570 5.922 3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.464 5.750 8.115 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.699 3.779 4.771 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.512 3.383 7.669 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.631 10.626 2.385 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.465 11.927 1.749 1.00 0.00 C ATOM 1467 C ASN A 95 -8.053 12.462 1.963 1.00 0.00 C ATOM 1468 O ASN A 95 -7.867 13.578 2.448 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.488 12.922 2.301 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.822 12.839 1.583 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -12.110 13.639 0.693 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.642 11.869 1.969 1.00 0.00 N ATOM 0 H ASN A 95 -9.831 9.863 1.739 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.629 11.803 0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.638 12.732 3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.092 13.934 2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.553 11.764 1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.361 11.229 2.711 1.00 0.00 H new ATOM 1479 N MET A 96 -7.060 11.658 1.597 1.00 0.00 N ATOM 1480 CA MET A 96 -5.664 12.051 1.748 1.00 0.00 C ATOM 1481 C MET A 96 -5.312 13.185 0.790 1.00 0.00 C ATOM 1482 O MET A 96 -6.119 13.567 -0.057 1.00 0.00 O ATOM 1483 CB MET A 96 -4.745 10.853 1.497 1.00 0.00 C ATOM 1484 CG MET A 96 -5.008 9.680 2.427 1.00 0.00 C ATOM 1485 SD MET A 96 -4.551 8.097 1.695 1.00 0.00 S ATOM 1486 CE MET A 96 -3.804 7.277 3.101 1.00 0.00 C ATOM 0 H MET A 96 -7.196 10.731 1.194 1.00 0.00 H new ATOM 0 HA MET A 96 -5.520 12.403 2.769 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.866 10.522 0.465 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.708 11.171 1.610 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.450 9.823 3.352 1.00 0.00 H new ATOM 0 HG3 MET A 96 -6.065 9.662 2.692 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.921 6.198 2.997 1.00 0.00 H new ATOM 0 HE2 MET A 96 -2.743 7.525 3.145 1.00 0.00 H new ATOM 0 HE3 MET A 96 -4.293 7.608 4.017 1.00 0.00 H new ATOM 1496 N ALA A 97 -4.104 13.720 0.932 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.646 14.810 0.079 1.00 0.00 C ATOM 1498 C ALA A 97 -2.270 14.508 -0.505 1.00 0.00 C ATOM 1499 O ALA A 97 -1.416 13.924 0.162 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.616 16.115 0.860 1.00 0.00 C ATOM 0 H ALA A 97 -3.425 13.416 1.630 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.349 14.911 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.272 16.920 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.618 16.345 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.937 16.017 1.707 1.00 0.00 H new ATOM 1506 N SER A 98 -2.061 14.911 -1.754 1.00 0.00 N ATOM 1507 CA SER A 98 -0.789 14.680 -2.429 1.00 0.00 C ATOM 1508 C SER A 98 0.382 14.999 -1.506 1.00 0.00 C ATOM 1509 O SER A 98 0.209 15.614 -0.454 1.00 0.00 O ATOM 1510 CB SER A 98 -0.700 15.530 -3.698 1.00 0.00 C ATOM 1511 OG SER A 98 -0.940 16.897 -3.414 1.00 0.00 O ATOM 0 H SER A 98 -2.756 15.399 -2.319 1.00 0.00 H new ATOM 0 HA SER A 98 -0.736 13.626 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.287 15.416 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.426 15.174 -4.429 1.00 0.00 H new ATOM 0 HG SER A 98 -0.876 17.419 -4.241 1.00 0.00 H new ATOM 1517 N GLY A 99 1.577 14.576 -1.907 1.00 0.00 N ATOM 1518 CA GLY A 99 2.760 14.825 -1.105 1.00 0.00 C ATOM 1519 C GLY A 99 2.561 14.458 0.352 1.00 0.00 C ATOM 1520 O GLY A 99 3.031 15.161 1.246 1.00 0.00 O ATOM 0 H GLY A 99 1.747 14.065 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.596 14.254 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.029 15.879 -1.177 1.00 0.00 H new ATOM 1524 N ALA A 100 1.860 13.355 0.592 1.00 0.00 N ATOM 1525 CA ALA A 100 1.599 12.896 1.951 1.00 0.00 C ATOM 1526 C ALA A 100 2.801 12.148 2.517 1.00 0.00 C ATOM 1527 O ALA A 100 3.791 11.923 1.820 1.00 0.00 O ATOM 1528 CB ALA A 100 0.362 12.011 1.981 1.00 0.00 C ATOM 0 H ALA A 100 1.463 12.763 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 100 1.421 13.771 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.179 11.676 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.499 12.577 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.518 11.145 1.337 1.00 0.00 H new ATOM 1534 N VAL A 101 2.709 11.764 3.787 1.00 0.00 N ATOM 1535 CA VAL A 101 3.789 11.040 4.447 1.00 0.00 C ATOM 1536 C VAL A 101 3.241 9.971 5.385 1.00 0.00 C ATOM 1537 O VAL A 101 2.720 10.280 6.457 1.00 0.00 O ATOM 1538 CB VAL A 101 4.697 11.993 5.247 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.893 12.734 6.304 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.847 11.226 5.880 1.00 0.00 C ATOM 0 H VAL A 101 1.898 11.942 4.379 1.00 0.00 H new ATOM 0 HA VAL A 101 4.377 10.564 3.662 1.00 0.00 H new ATOM 0 HB VAL A 101 5.116 12.730 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.551 13.403 6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.107 13.316 5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.444 12.015 6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.478 11.915 6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.451 10.466 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.438 10.746 5.100 1.00 0.00 H new ATOM 1550 N ILE A 102 3.362 8.713 4.975 1.00 0.00 N ATOM 1551 CA ILE A 102 2.880 7.597 5.780 1.00 0.00 C ATOM 1552 C ILE A 102 3.953 7.116 6.751 1.00 0.00 C ATOM 1553 O ILE A 102 4.960 6.536 6.343 1.00 0.00 O ATOM 1554 CB ILE A 102 2.435 6.416 4.897 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.356 6.867 3.911 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.928 5.271 5.761 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.167 7.526 4.575 1.00 0.00 C ATOM 0 H ILE A 102 3.790 8.441 4.090 1.00 0.00 H new ATOM 0 HA ILE A 102 2.021 7.962 6.343 1.00 0.00 H new ATOM 0 HB ILE A 102 3.294 6.062 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.796 7.564 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.012 6.003 3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.617 4.444 5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.724 4.937 6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.079 5.611 6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.557 7.820 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.298 6.825 5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.498 8.409 5.121 1.00 0.00 H new ATOM 1569 N HIS A 103 3.729 7.359 8.039 1.00 0.00 N ATOM 1570 CA HIS A 103 4.676 6.948 9.070 1.00 0.00 C ATOM 1571 C HIS A 103 4.489 5.476 9.423 1.00 0.00 C ATOM 1572 O HIS A 103 3.404 5.057 9.830 1.00 0.00 O ATOM 1573 CB HIS A 103 4.507 7.811 10.320 1.00 0.00 C ATOM 1574 CG HIS A 103 4.619 9.280 10.054 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.746 10.016 10.355 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.737 10.151 9.510 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.551 11.276 10.009 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.340 11.385 9.493 1.00 0.00 N ATOM 0 H HIS A 103 2.901 7.838 8.393 1.00 0.00 H new ATOM 0 HA HIS A 103 5.684 7.084 8.678 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.534 7.604 10.765 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.261 7.525 11.054 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.744 9.919 9.155 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.261 12.081 10.128 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.921 12.245 9.140 1.00 0.00 H new ATOM 1587 N LEU A 104 5.552 4.695 9.266 1.00 0.00 N ATOM 1588 CA LEU A 104 5.505 3.268 9.568 1.00 0.00 C ATOM 1589 C LEU A 104 5.790 3.015 11.045 1.00 0.00 C ATOM 1590 O LEU A 104 6.690 3.620 11.626 1.00 0.00 O ATOM 1591 CB LEU A 104 6.514 2.510 8.705 1.00 0.00 C ATOM 1592 CG LEU A 104 6.389 0.986 8.707 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.042 0.560 8.143 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.525 0.356 7.914 1.00 0.00 C ATOM 0 H LEU A 104 6.457 5.025 8.931 1.00 0.00 H new ATOM 0 HA LEU A 104 4.501 2.907 9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.419 2.861 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.518 2.773 9.040 1.00 0.00 H new ATOM 0 HG LEU A 104 6.455 0.637 9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.971 -0.528 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.243 0.981 8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.946 0.921 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.420 -0.729 7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.491 0.712 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.479 0.633 8.362 1.00 0.00 H new ATOM 1606 N ALA A 105 5.019 2.114 11.646 1.00 0.00 N ATOM 1607 CA ALA A 105 5.191 1.778 13.053 1.00 0.00 C ATOM 1608 C ALA A 105 5.096 0.272 13.273 1.00 0.00 C ATOM 1609 O ALA A 105 4.161 -0.377 12.801 1.00 0.00 O ATOM 1610 CB ALA A 105 4.157 2.503 13.900 1.00 0.00 C ATOM 0 H ALA A 105 4.269 1.604 11.179 1.00 0.00 H new ATOM 0 HA ALA A 105 6.186 2.102 13.359 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.298 2.242 14.949 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.274 3.579 13.775 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.156 2.208 13.584 1.00 0.00 H new ATOM 1616 N LEU A 106 6.068 -0.280 13.991 1.00 0.00 N ATOM 1617 CA LEU A 106 6.093 -1.711 14.273 1.00 0.00 C ATOM 1618 C LEU A 106 5.010 -2.087 15.279 1.00 0.00 C ATOM 1619 O LEU A 106 5.085 -1.726 16.454 1.00 0.00 O ATOM 1620 CB LEU A 106 7.466 -2.121 14.809 1.00 0.00 C ATOM 1621 CG LEU A 106 7.931 -3.534 14.454 1.00 0.00 C ATOM 1622 CD1 LEU A 106 9.356 -3.763 14.932 1.00 0.00 C ATOM 1623 CD2 LEU A 106 6.991 -4.570 15.054 1.00 0.00 C ATOM 0 H LEU A 106 6.849 0.242 14.388 1.00 0.00 H new ATOM 0 HA LEU A 106 5.899 -2.243 13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.206 -1.412 14.436 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.453 -2.027 15.895 1.00 0.00 H new ATOM 0 HG LEU A 106 7.913 -3.641 13.369 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.669 -4.774 14.671 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.020 -3.042 14.455 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.401 -3.637 16.014 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.336 -5.570 14.792 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.977 -4.464 16.139 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.985 -4.419 14.662 1.00 0.00 H new ATOM 1635 N LYS A 107 4.003 -2.816 14.810 1.00 0.00 N ATOM 1636 CA LYS A 107 2.905 -3.246 15.668 1.00 0.00 C ATOM 1637 C LYS A 107 3.392 -4.237 16.721 1.00 0.00 C ATOM 1638 O LYS A 107 4.306 -5.021 16.470 1.00 0.00 O ATOM 1639 CB LYS A 107 1.794 -3.881 14.829 1.00 0.00 C ATOM 1640 CG LYS A 107 0.436 -3.872 15.511 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.655 -4.385 14.586 1.00 0.00 C ATOM 1642 CE LYS A 107 -0.562 -5.891 14.395 1.00 0.00 C ATOM 1643 NZ LYS A 107 -1.035 -6.633 15.597 1.00 0.00 N ATOM 0 H LYS A 107 3.924 -3.122 13.840 1.00 0.00 H new ATOM 0 HA LYS A 107 2.510 -2.367 16.178 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.718 -3.350 13.880 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.068 -4.910 14.597 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.474 -4.490 16.408 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.196 -2.858 15.832 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.632 -4.129 14.997 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.576 -3.889 13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.156 -6.185 13.530 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.471 -6.167 14.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.084 -7.649 15.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.372 -6.478 16.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.979 -6.290 15.867 1.00 0.00 H new ATOM 1657 N GLU A 108 2.774 -4.196 17.897 1.00 0.00 N ATOM 1658 CA GLU A 108 3.145 -5.091 18.986 1.00 0.00 C ATOM 1659 C GLU A 108 2.146 -6.238 19.112 1.00 0.00 C ATOM 1660 O GLU A 108 1.006 -6.039 19.532 1.00 0.00 O ATOM 1661 CB GLU A 108 3.223 -4.321 20.306 1.00 0.00 C ATOM 1662 CG GLU A 108 4.491 -3.498 20.456 1.00 0.00 C ATOM 1663 CD GLU A 108 5.693 -4.342 20.833 1.00 0.00 C ATOM 1664 OE1 GLU A 108 5.986 -5.315 20.108 1.00 0.00 O ATOM 1665 OE2 GLU A 108 6.341 -4.028 21.854 1.00 0.00 O ATOM 0 H GLU A 108 2.014 -3.553 18.120 1.00 0.00 H new ATOM 0 HA GLU A 108 4.126 -5.509 18.760 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.360 -3.660 20.383 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.158 -5.028 21.133 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.696 -2.979 19.520 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.336 -2.733 21.217 1.00 0.00 H new ATOM 1672 N ARG A 109 2.583 -7.438 18.745 1.00 0.00 N ATOM 1673 CA ARG A 109 1.728 -8.617 18.815 1.00 0.00 C ATOM 1674 C ARG A 109 2.126 -9.509 19.987 1.00 0.00 C ATOM 1675 O ARG A 109 3.246 -9.426 20.490 1.00 0.00 O ATOM 1676 CB ARG A 109 1.806 -9.408 17.508 1.00 0.00 C ATOM 1677 CG ARG A 109 0.679 -10.414 17.337 1.00 0.00 C ATOM 1678 CD ARG A 109 0.879 -11.268 16.095 1.00 0.00 C ATOM 1679 NE ARG A 109 1.952 -12.244 16.268 1.00 0.00 N ATOM 1680 CZ ARG A 109 2.199 -13.225 15.408 1.00 0.00 C ATOM 1681 NH1 ARG A 109 1.454 -13.360 14.319 1.00 0.00 N ATOM 1682 NH2 ARG A 109 3.193 -14.073 15.635 1.00 0.00 N ATOM 0 H ARG A 109 3.524 -7.620 18.396 1.00 0.00 H new ATOM 0 HA ARG A 109 0.702 -8.282 18.968 1.00 0.00 H new ATOM 0 HB2 ARG A 109 1.790 -8.711 16.670 1.00 0.00 H new ATOM 0 HB3 ARG A 109 2.760 -9.934 17.468 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.626 -11.056 18.217 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -0.273 -9.888 17.269 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.049 -11.788 15.860 1.00 0.00 H new ATOM 0 HD3 ARG A 109 1.108 -10.624 15.246 1.00 0.00 H new ATOM 0 HE ARG A 109 2.544 -12.168 17.095 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.689 -12.709 14.140 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.646 -14.115 13.660 1.00 0.00 H new ATOM 0 HH21 ARG A 109 3.769 -13.972 16.471 1.00 0.00 H new ATOM 0 HH22 ARG A 109 3.382 -14.826 14.974 1.00 0.00 H new ATOM 1696 N SER A 110 1.201 -10.362 20.416 1.00 0.00 N ATOM 1697 CA SER A 110 1.454 -11.266 21.532 1.00 0.00 C ATOM 1698 C SER A 110 2.908 -11.730 21.536 1.00 0.00 C ATOM 1699 O SER A 110 3.296 -12.599 20.756 1.00 0.00 O ATOM 1700 CB SER A 110 0.521 -12.476 21.456 1.00 0.00 C ATOM 1701 OG SER A 110 0.647 -13.141 20.211 1.00 0.00 O ATOM 0 H SER A 110 0.270 -10.446 20.008 1.00 0.00 H new ATOM 0 HA SER A 110 1.261 -10.724 22.458 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.751 -13.168 22.266 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.511 -12.153 21.596 1.00 0.00 H new ATOM 0 HG SER A 110 1.595 -13.216 19.975 1.00 0.00 H new ATOM 1707 N GLY A 111 3.708 -11.143 22.420 1.00 0.00 N ATOM 1708 CA GLY A 111 5.109 -11.508 22.511 1.00 0.00 C ATOM 1709 C GLY A 111 5.335 -12.994 22.320 1.00 0.00 C ATOM 1710 O GLY A 111 5.039 -13.806 23.198 1.00 0.00 O ATOM 0 H GLY A 111 3.410 -10.420 23.075 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.674 -10.958 21.758 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.497 -11.207 23.484 1.00 0.00 H new ATOM 1714 N PRO A 112 5.869 -13.371 21.149 1.00 0.00 N ATOM 1715 CA PRO A 112 6.145 -14.772 20.819 1.00 0.00 C ATOM 1716 C PRO A 112 7.294 -15.346 21.640 1.00 0.00 C ATOM 1717 O PRO A 112 7.947 -14.629 22.398 1.00 0.00 O ATOM 1718 CB PRO A 112 6.521 -14.720 19.336 1.00 0.00 C ATOM 1719 CG PRO A 112 7.031 -13.336 19.123 1.00 0.00 C ATOM 1720 CD PRO A 112 6.247 -12.457 20.058 1.00 0.00 C ATOM 0 HA PRO A 112 5.293 -15.417 21.034 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.280 -15.463 19.094 1.00 0.00 H new ATOM 0 HB3 PRO A 112 5.659 -14.926 18.702 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.099 -13.277 19.335 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.894 -13.025 18.087 1.00 0.00 H new ATOM 0 HD2 PRO A 112 6.846 -11.623 20.422 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.371 -12.031 19.569 1.00 0.00 H new ATOM 1728 N SER A 113 7.537 -16.644 21.484 1.00 0.00 N ATOM 1729 CA SER A 113 8.606 -17.315 22.214 1.00 0.00 C ATOM 1730 C SER A 113 9.736 -17.719 21.272 1.00 0.00 C ATOM 1731 O SER A 113 9.494 -18.207 20.167 1.00 0.00 O ATOM 1732 CB SER A 113 8.063 -18.549 22.936 1.00 0.00 C ATOM 1733 OG SER A 113 7.375 -19.404 22.039 1.00 0.00 O ATOM 0 H SER A 113 7.008 -17.252 20.858 1.00 0.00 H new ATOM 0 HA SER A 113 9.003 -16.617 22.951 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.885 -19.092 23.403 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.391 -18.239 23.736 1.00 0.00 H new ATOM 0 HG SER A 113 7.039 -20.186 22.525 1.00 0.00 H new ATOM 1739 N SER A 114 10.971 -17.513 21.717 1.00 0.00 N ATOM 1740 CA SER A 114 12.140 -17.852 20.913 1.00 0.00 C ATOM 1741 C SER A 114 12.155 -19.341 20.578 1.00 0.00 C ATOM 1742 O SER A 114 12.481 -20.175 21.421 1.00 0.00 O ATOM 1743 CB SER A 114 13.423 -17.472 21.655 1.00 0.00 C ATOM 1744 OG SER A 114 14.501 -17.295 20.752 1.00 0.00 O ATOM 0 H SER A 114 11.188 -17.113 22.630 1.00 0.00 H new ATOM 0 HA SER A 114 12.086 -17.288 19.982 1.00 0.00 H new ATOM 0 HB2 SER A 114 13.262 -16.553 22.219 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.673 -18.249 22.377 1.00 0.00 H new ATOM 0 HG SER A 114 15.309 -17.051 21.251 1.00 0.00 H new ATOM 1750 N GLY A 115 11.801 -19.666 19.338 1.00 0.00 N ATOM 1751 CA GLY A 115 11.780 -21.053 18.912 1.00 0.00 C ATOM 1752 C GLY A 115 12.726 -21.319 17.759 1.00 0.00 C ATOM 1753 O GLY A 115 12.807 -20.529 16.818 1.00 0.00 O ATOM 0 H GLY A 115 11.528 -18.993 18.621 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.048 -21.692 19.753 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.766 -21.324 18.616 1.00 0.00 H new TER 1757 GLY A 115