USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 67 THR OG1 : rot 113:sc= 0.321 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.322 USER MOD Set 1.3: A 70 SER OG : rot 168:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 2.29 (180deg=1.46) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= 1.29 (180deg=1.04) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : A 12 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-4.5!) USER MOD Single : A 14 ASN : amide:sc= -1.39 K(o=-1.4,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0961 X(o=-0.096,f=-0.096) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0323 K(o=-0.032,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.16) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= 2.04 (180deg=1.2) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 33 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -162:sc= 0 (180deg=-0.439) USER MOD Single : A 40 ASN : amide:sc= -0.385 X(o=-0.39,f=0) USER MOD Single : A 42 TYR OH : rot -177:sc= 0.498 USER MOD Single : A 43 CYS SG : rot -75:sc= -0.0279 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -149:sc= -0.286 (180deg=-1.13) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 63 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1.3) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.00086) USER MOD Single : A 73 MET CE :methyl 170:sc=-0.00532 (180deg=-0.176) USER MOD Single : A 78 THR OG1 : rot 42:sc= 0.363 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0847 K(o=-0.085,f=-3.1!) USER MOD Single : A 84 GLN : amide:sc= 0.76 K(o=0.76,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.095) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.680 -10.449 -23.812 1.00 0.00 N ATOM 2 CA MET A 1 15.598 -11.875 -24.235 1.00 0.00 C ATOM 3 C MET A 1 16.899 -12.642 -24.060 1.00 0.00 C ATOM 4 O MET A 1 17.944 -12.048 -23.822 1.00 0.00 O ATOM 5 CB MET A 1 15.149 -11.938 -25.726 1.00 0.00 C ATOM 6 CG MET A 1 13.706 -11.465 -26.013 1.00 0.00 C ATOM 7 SD MET A 1 13.435 -9.666 -25.970 1.00 0.00 S ATOM 8 CE MET A 1 11.709 -9.769 -26.525 1.00 0.00 C ATOM 0 H1 MET A 1 14.950 -9.898 -24.307 1.00 0.00 H new ATOM 0 H2 MET A 1 15.527 -10.382 -22.785 1.00 0.00 H new ATOM 0 H3 MET A 1 16.620 -10.070 -24.048 1.00 0.00 H new ATOM 0 HA MET A 1 14.870 -12.357 -23.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.835 -11.332 -26.318 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.250 -12.966 -26.073 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.412 -11.834 -26.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.040 -11.931 -25.286 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.286 -8.766 -26.587 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.670 -10.241 -27.507 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.133 -10.362 -25.814 1.00 0.00 H new ATOM 20 N SER A 2 16.859 -13.990 -24.183 1.00 0.00 N ATOM 21 CA SER A 2 18.004 -14.893 -24.091 1.00 0.00 C ATOM 22 C SER A 2 18.710 -14.872 -22.735 1.00 0.00 C ATOM 23 O SER A 2 18.094 -15.134 -21.704 1.00 0.00 O ATOM 24 CB SER A 2 18.962 -14.767 -25.313 1.00 0.00 C ATOM 25 OG SER A 2 19.859 -15.878 -25.407 1.00 0.00 O ATOM 0 H SER A 2 15.985 -14.487 -24.356 1.00 0.00 H new ATOM 0 HA SER A 2 17.590 -15.900 -24.147 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.375 -14.697 -26.229 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.536 -13.844 -25.231 1.00 0.00 H new ATOM 0 HG SER A 2 20.442 -15.763 -26.186 1.00 0.00 H new ATOM 31 N ASP A 3 20.022 -14.553 -22.688 1.00 0.00 N ATOM 32 CA ASP A 3 20.777 -14.414 -21.458 1.00 0.00 C ATOM 33 C ASP A 3 20.463 -13.057 -20.817 1.00 0.00 C ATOM 34 O ASP A 3 21.115 -12.044 -21.080 1.00 0.00 O ATOM 35 CB ASP A 3 22.287 -14.570 -21.773 1.00 0.00 C ATOM 36 CG ASP A 3 23.121 -14.863 -20.545 1.00 0.00 C ATOM 37 OD1 ASP A 3 23.129 -14.062 -19.575 1.00 0.00 O ATOM 38 OD2 ASP A 3 23.871 -15.876 -20.576 1.00 0.00 O ATOM 0 H ASP A 3 20.580 -14.386 -23.525 1.00 0.00 H new ATOM 0 HA ASP A 3 20.497 -15.189 -20.745 1.00 0.00 H new ATOM 0 HB2 ASP A 3 22.420 -15.375 -22.496 1.00 0.00 H new ATOM 0 HB3 ASP A 3 22.651 -13.656 -22.243 1.00 0.00 H new ATOM 43 N GLU A 4 19.413 -13.007 -19.982 1.00 0.00 N ATOM 44 CA GLU A 4 18.933 -11.760 -19.424 1.00 0.00 C ATOM 45 C GLU A 4 18.726 -11.844 -17.919 1.00 0.00 C ATOM 46 O GLU A 4 18.796 -12.891 -17.277 1.00 0.00 O ATOM 47 CB GLU A 4 17.620 -11.308 -20.124 1.00 0.00 C ATOM 48 CG GLU A 4 17.564 -9.779 -20.394 1.00 0.00 C ATOM 49 CD GLU A 4 16.156 -9.223 -20.452 1.00 0.00 C ATOM 50 OE1 GLU A 4 15.342 -9.661 -21.307 1.00 0.00 O ATOM 51 OE2 GLU A 4 15.864 -8.305 -19.636 1.00 0.00 O ATOM 0 H GLU A 4 18.886 -13.828 -19.685 1.00 0.00 H new ATOM 0 HA GLU A 4 19.706 -11.014 -19.607 1.00 0.00 H new ATOM 0 HB2 GLU A 4 17.518 -11.841 -21.069 1.00 0.00 H new ATOM 0 HB3 GLU A 4 16.769 -11.592 -19.504 1.00 0.00 H new ATOM 0 HG2 GLU A 4 18.118 -9.260 -19.612 1.00 0.00 H new ATOM 0 HG3 GLU A 4 18.068 -9.567 -21.337 1.00 0.00 H new ATOM 58 N LYS A 5 18.415 -10.686 -17.320 1.00 0.00 N ATOM 59 CA LYS A 5 18.247 -10.430 -15.904 1.00 0.00 C ATOM 60 C LYS A 5 16.913 -10.894 -15.321 1.00 0.00 C ATOM 61 O LYS A 5 16.570 -10.612 -14.175 1.00 0.00 O ATOM 62 CB LYS A 5 18.384 -8.898 -15.731 1.00 0.00 C ATOM 63 CG LYS A 5 17.283 -8.065 -16.430 1.00 0.00 C ATOM 64 CD LYS A 5 17.737 -6.622 -16.715 1.00 0.00 C ATOM 65 CE LYS A 5 18.414 -6.396 -18.080 1.00 0.00 C ATOM 66 NZ LYS A 5 17.396 -6.199 -19.134 1.00 0.00 N ATOM 0 H LYS A 5 18.264 -9.841 -17.870 1.00 0.00 H new ATOM 0 HA LYS A 5 18.998 -11.002 -15.360 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.376 -8.665 -14.666 1.00 0.00 H new ATOM 0 HB3 LYS A 5 19.355 -8.588 -16.118 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.004 -8.548 -17.367 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.391 -8.046 -15.803 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.869 -5.967 -16.647 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.429 -6.316 -15.931 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.067 -5.525 -18.029 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.042 -7.252 -18.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.817 -5.679 -19.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.056 -7.124 -19.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.598 -5.655 -18.748 1.00 0.00 H new ATOM 80 N LYS A 6 16.108 -11.626 -16.117 1.00 0.00 N ATOM 81 CA LYS A 6 14.781 -12.084 -15.745 1.00 0.00 C ATOM 82 C LYS A 6 14.710 -13.604 -15.718 1.00 0.00 C ATOM 83 O LYS A 6 13.647 -14.219 -15.851 1.00 0.00 O ATOM 84 CB LYS A 6 13.728 -11.484 -16.709 1.00 0.00 C ATOM 85 CG LYS A 6 13.643 -9.953 -16.574 1.00 0.00 C ATOM 86 CD LYS A 6 12.582 -9.315 -17.483 1.00 0.00 C ATOM 87 CE LYS A 6 12.451 -7.805 -17.251 1.00 0.00 C ATOM 88 NZ LYS A 6 11.480 -7.213 -18.187 1.00 0.00 N ATOM 0 H LYS A 6 16.382 -11.915 -17.056 1.00 0.00 H new ATOM 0 HA LYS A 6 14.562 -11.737 -14.735 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.983 -11.746 -17.736 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.752 -11.923 -16.501 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.422 -9.700 -15.537 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.616 -9.521 -16.807 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.841 -9.499 -18.526 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.619 -9.793 -17.305 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.135 -7.616 -16.225 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.423 -7.328 -17.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.408 -6.190 -18.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.797 -7.375 -19.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.549 -7.655 -18.047 1.00 0.00 H new ATOM 102 N GLY A 7 15.863 -14.264 -15.503 1.00 0.00 N ATOM 103 CA GLY A 7 15.956 -15.703 -15.264 1.00 0.00 C ATOM 104 C GLY A 7 16.183 -15.951 -13.806 1.00 0.00 C ATOM 105 O GLY A 7 17.284 -16.289 -13.380 1.00 0.00 O ATOM 0 H GLY A 7 16.769 -13.796 -15.492 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.041 -16.197 -15.590 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.773 -16.128 -15.848 1.00 0.00 H new ATOM 109 N GLY A 8 15.137 -15.723 -12.985 1.00 0.00 N ATOM 110 CA GLY A 8 15.274 -15.640 -11.534 1.00 0.00 C ATOM 111 C GLY A 8 15.820 -14.298 -11.114 1.00 0.00 C ATOM 112 O GLY A 8 17.021 -14.041 -11.196 1.00 0.00 O ATOM 0 H GLY A 8 14.181 -15.593 -13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.304 -15.804 -11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.936 -16.431 -11.183 1.00 0.00 H new ATOM 116 N GLU A 9 14.953 -13.378 -10.655 1.00 0.00 N ATOM 117 CA GLU A 9 15.391 -12.071 -10.199 1.00 0.00 C ATOM 118 C GLU A 9 16.008 -12.132 -8.805 1.00 0.00 C ATOM 119 O GLU A 9 16.046 -13.184 -8.168 1.00 0.00 O ATOM 120 CB GLU A 9 14.202 -11.074 -10.215 1.00 0.00 C ATOM 121 CG GLU A 9 13.775 -10.701 -11.653 1.00 0.00 C ATOM 122 CD GLU A 9 12.689 -9.652 -11.658 1.00 0.00 C ATOM 123 OE1 GLU A 9 12.990 -8.448 -11.457 1.00 0.00 O ATOM 124 OE2 GLU A 9 11.503 -10.026 -11.862 1.00 0.00 O ATOM 0 H GLU A 9 13.946 -13.527 -10.595 1.00 0.00 H new ATOM 0 HA GLU A 9 16.164 -11.724 -10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.355 -11.513 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.480 -10.170 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.639 -10.333 -12.205 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.422 -11.593 -12.171 1.00 0.00 H new ATOM 131 N THR A 10 16.512 -10.989 -8.285 1.00 0.00 N ATOM 132 CA THR A 10 17.104 -10.857 -6.949 1.00 0.00 C ATOM 133 C THR A 10 16.186 -11.359 -5.859 1.00 0.00 C ATOM 134 O THR A 10 16.518 -12.257 -5.090 1.00 0.00 O ATOM 135 CB THR A 10 17.477 -9.418 -6.604 1.00 0.00 C ATOM 136 OG1 THR A 10 18.057 -8.773 -7.727 1.00 0.00 O ATOM 137 CG2 THR A 10 18.504 -9.376 -5.466 1.00 0.00 C ATOM 0 H THR A 10 16.514 -10.112 -8.805 1.00 0.00 H new ATOM 0 HA THR A 10 18.005 -11.469 -6.992 1.00 0.00 H new ATOM 0 HB THR A 10 16.561 -8.911 -6.301 1.00 0.00 H new ATOM 0 HG1 THR A 10 18.289 -7.851 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.753 -8.339 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.084 -9.851 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.406 -9.908 -5.770 1.00 0.00 H new ATOM 145 N GLU A 11 14.978 -10.789 -5.833 1.00 0.00 N ATOM 146 CA GLU A 11 13.884 -11.134 -4.968 1.00 0.00 C ATOM 147 C GLU A 11 12.713 -10.444 -5.648 1.00 0.00 C ATOM 148 O GLU A 11 12.949 -9.497 -6.406 1.00 0.00 O ATOM 149 CB GLU A 11 14.137 -10.540 -3.570 1.00 0.00 C ATOM 150 CG GLU A 11 13.077 -10.892 -2.511 1.00 0.00 C ATOM 151 CD GLU A 11 12.737 -9.655 -1.720 1.00 0.00 C ATOM 152 OE1 GLU A 11 12.041 -8.769 -2.282 1.00 0.00 O ATOM 153 OE2 GLU A 11 13.180 -9.551 -0.549 1.00 0.00 O ATOM 0 H GLU A 11 14.739 -10.025 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 11 13.730 -12.204 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.109 -10.883 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.194 -9.455 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.183 -11.288 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.453 -11.671 -1.847 1.00 0.00 H new ATOM 160 N HIS A 12 11.453 -10.893 -5.481 1.00 0.00 N ATOM 161 CA HIS A 12 10.325 -10.178 -6.055 1.00 0.00 C ATOM 162 C HIS A 12 9.017 -10.550 -5.368 1.00 0.00 C ATOM 163 O HIS A 12 8.120 -11.154 -5.961 1.00 0.00 O ATOM 164 CB HIS A 12 10.243 -10.380 -7.597 1.00 0.00 C ATOM 165 CG HIS A 12 9.774 -9.162 -8.353 1.00 0.00 C ATOM 166 ND1 HIS A 12 10.146 -8.874 -9.649 1.00 0.00 N ATOM 167 CD2 HIS A 12 8.939 -8.155 -7.982 1.00 0.00 C ATOM 168 CE1 HIS A 12 9.536 -7.718 -9.995 1.00 0.00 C ATOM 169 NE2 HIS A 12 8.784 -7.246 -9.018 1.00 0.00 N ATOM 0 H HIS A 12 11.206 -11.734 -4.960 1.00 0.00 H new ATOM 0 HA HIS A 12 10.491 -9.115 -5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.227 -10.668 -7.968 1.00 0.00 H new ATOM 0 HB3 HIS A 12 9.567 -11.209 -7.809 1.00 0.00 H new ATOM 0 HD1 HIS A 12 10.766 -9.430 -10.238 1.00 0.00 H new ATOM 0 HD2 HIS A 12 8.463 -8.074 -7.016 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.650 -7.238 -10.956 1.00 0.00 H new ATOM 177 N ILE A 13 8.873 -10.166 -4.081 1.00 0.00 N ATOM 178 CA ILE A 13 7.732 -10.469 -3.227 1.00 0.00 C ATOM 179 C ILE A 13 6.369 -9.975 -3.714 1.00 0.00 C ATOM 180 O ILE A 13 6.247 -9.064 -4.527 1.00 0.00 O ATOM 181 CB ILE A 13 7.932 -9.961 -1.803 1.00 0.00 C ATOM 182 CG1 ILE A 13 8.071 -8.423 -1.727 1.00 0.00 C ATOM 183 CG2 ILE A 13 9.166 -10.663 -1.200 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.485 -7.856 -0.431 1.00 0.00 C ATOM 0 H ILE A 13 9.584 -9.615 -3.601 1.00 0.00 H new ATOM 0 HA ILE A 13 7.703 -11.558 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 13 7.041 -10.203 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.124 -8.150 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.566 -7.971 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.323 -10.311 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.003 -11.741 -1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.045 -10.435 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.605 -6.773 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.425 -8.104 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.007 -8.287 0.423 1.00 0.00 H new ATOM 196 N ASN A 14 5.276 -10.595 -3.226 1.00 0.00 N ATOM 197 CA ASN A 14 3.923 -10.307 -3.673 1.00 0.00 C ATOM 198 C ASN A 14 3.177 -9.505 -2.617 1.00 0.00 C ATOM 199 O ASN A 14 3.295 -9.786 -1.428 1.00 0.00 O ATOM 200 CB ASN A 14 3.087 -11.604 -3.882 1.00 0.00 C ATOM 201 CG ASN A 14 3.573 -12.579 -4.954 1.00 0.00 C ATOM 202 OD1 ASN A 14 2.769 -13.409 -5.390 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.844 -12.547 -5.391 1.00 0.00 N ATOM 0 H ASN A 14 5.322 -11.314 -2.504 1.00 0.00 H new ATOM 0 HA ASN A 14 4.027 -9.762 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.047 -12.138 -2.932 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.066 -11.313 -4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.158 -13.216 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.494 -11.854 -5.019 1.00 0.00 H new ATOM 210 N LEU A 15 2.353 -8.520 -3.028 1.00 0.00 N ATOM 211 CA LEU A 15 1.360 -7.911 -2.156 1.00 0.00 C ATOM 212 C LEU A 15 0.014 -7.984 -2.849 1.00 0.00 C ATOM 213 O LEU A 15 -0.089 -8.013 -4.078 1.00 0.00 O ATOM 214 CB LEU A 15 1.623 -6.419 -1.802 1.00 0.00 C ATOM 215 CG LEU A 15 2.630 -6.169 -0.660 1.00 0.00 C ATOM 216 CD1 LEU A 15 4.084 -6.264 -1.127 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.385 -4.786 -0.030 1.00 0.00 C ATOM 0 H LEU A 15 2.366 -8.134 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 15 1.401 -8.467 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.983 -5.911 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.674 -5.956 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 15 2.469 -6.953 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.750 -6.080 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.273 -7.260 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.266 -5.520 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.101 -4.621 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.507 -4.014 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.372 -4.743 0.371 1.00 0.00 H new ATOM 229 N LYS A 16 -1.072 -8.008 -2.058 1.00 0.00 N ATOM 230 CA LYS A 16 -2.425 -8.034 -2.564 1.00 0.00 C ATOM 231 C LYS A 16 -3.184 -6.834 -2.027 1.00 0.00 C ATOM 232 O LYS A 16 -3.089 -6.498 -0.848 1.00 0.00 O ATOM 233 CB LYS A 16 -3.136 -9.342 -2.146 1.00 0.00 C ATOM 234 CG LYS A 16 -2.288 -10.606 -2.375 1.00 0.00 C ATOM 235 CD LYS A 16 -3.127 -11.884 -2.240 1.00 0.00 C ATOM 236 CE LYS A 16 -2.321 -13.177 -2.403 1.00 0.00 C ATOM 237 NZ LYS A 16 -3.225 -14.338 -2.439 1.00 0.00 N ATOM 0 H LYS A 16 -1.018 -8.010 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.399 -7.992 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.402 -9.280 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.067 -9.434 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.839 -10.568 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.469 -10.630 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.609 -11.889 -1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.921 -11.866 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.734 -13.135 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.616 -13.281 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.667 -15.209 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.766 -14.384 -1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.881 -14.243 -3.240 1.00 0.00 H new ATOM 251 N VAL A 17 -3.956 -6.132 -2.877 1.00 0.00 N ATOM 252 CA VAL A 17 -4.730 -4.973 -2.458 1.00 0.00 C ATOM 253 C VAL A 17 -6.219 -5.216 -2.663 1.00 0.00 C ATOM 254 O VAL A 17 -6.729 -5.338 -3.782 1.00 0.00 O ATOM 255 CB VAL A 17 -4.224 -3.668 -3.080 1.00 0.00 C ATOM 256 CG1 VAL A 17 -4.103 -3.748 -4.614 1.00 0.00 C ATOM 257 CG2 VAL A 17 -5.101 -2.482 -2.639 1.00 0.00 C ATOM 0 H VAL A 17 -4.053 -6.359 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.580 -4.839 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.213 -3.504 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.740 -2.796 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.403 -4.539 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.080 -3.966 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.726 -1.564 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.129 -2.651 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.070 -2.391 -1.553 1.00 0.00 H new ATOM 267 N LEU A 18 -6.962 -5.304 -1.540 1.00 0.00 N ATOM 268 CA LEU A 18 -8.392 -5.532 -1.516 1.00 0.00 C ATOM 269 C LEU A 18 -9.124 -4.201 -1.422 1.00 0.00 C ATOM 270 O LEU A 18 -9.161 -3.556 -0.375 1.00 0.00 O ATOM 271 CB LEU A 18 -8.811 -6.410 -0.305 1.00 0.00 C ATOM 272 CG LEU A 18 -8.093 -7.773 -0.185 1.00 0.00 C ATOM 273 CD1 LEU A 18 -8.576 -8.509 1.072 1.00 0.00 C ATOM 274 CD2 LEU A 18 -8.302 -8.666 -1.415 1.00 0.00 C ATOM 0 H LEU A 18 -6.557 -5.214 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.656 -6.053 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.632 -5.844 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.884 -6.590 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.026 -7.564 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.066 -9.469 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.354 -7.907 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.651 -8.674 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.775 -9.609 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.366 -8.861 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.914 -8.163 -2.300 1.00 0.00 H new ATOM 286 N GLY A 19 -9.726 -3.730 -2.528 1.00 0.00 N ATOM 287 CA GLY A 19 -10.468 -2.476 -2.542 1.00 0.00 C ATOM 288 C GLY A 19 -11.914 -2.696 -2.218 1.00 0.00 C ATOM 289 O GLY A 19 -12.574 -3.531 -2.824 1.00 0.00 O ATOM 0 H GLY A 19 -9.707 -4.211 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.032 -1.785 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.380 -2.010 -3.523 1.00 0.00 H new ATOM 293 N GLN A 20 -12.471 -1.921 -1.262 1.00 0.00 N ATOM 294 CA GLN A 20 -13.852 -2.080 -0.827 1.00 0.00 C ATOM 295 C GLN A 20 -14.890 -1.764 -1.914 1.00 0.00 C ATOM 296 O GLN A 20 -15.986 -2.320 -1.932 1.00 0.00 O ATOM 297 CB GLN A 20 -14.103 -1.275 0.476 1.00 0.00 C ATOM 298 CG GLN A 20 -15.331 -1.745 1.294 1.00 0.00 C ATOM 299 CD GLN A 20 -15.182 -3.181 1.808 1.00 0.00 C ATOM 300 OE1 GLN A 20 -15.764 -4.126 1.271 1.00 0.00 O ATOM 301 NE2 GLN A 20 -14.383 -3.368 2.881 1.00 0.00 N ATOM 0 H GLN A 20 -11.969 -1.175 -0.780 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.993 -3.140 -0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.216 -1.341 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.234 -0.224 0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.478 -1.074 2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.224 -1.676 0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.911 -2.572 3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.252 -4.305 3.262 1.00 0.00 H new ATOM 310 N ASP A 21 -14.523 -0.947 -2.927 1.00 0.00 N ATOM 311 CA ASP A 21 -15.202 -0.852 -4.218 1.00 0.00 C ATOM 312 C ASP A 21 -14.998 -2.115 -5.092 1.00 0.00 C ATOM 313 O ASP A 21 -14.742 -2.040 -6.292 1.00 0.00 O ATOM 314 CB ASP A 21 -14.688 0.415 -4.979 1.00 0.00 C ATOM 315 CG ASP A 21 -15.559 1.621 -4.710 1.00 0.00 C ATOM 316 OD1 ASP A 21 -15.735 2.021 -3.536 1.00 0.00 O ATOM 317 OD2 ASP A 21 -16.108 2.183 -5.700 1.00 0.00 O ATOM 0 H ASP A 21 -13.721 -0.321 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.272 -0.771 -4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.664 0.631 -4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.667 0.213 -6.050 1.00 0.00 H new ATOM 322 N ASN A 22 -15.119 -3.321 -4.499 1.00 0.00 N ATOM 323 CA ASN A 22 -15.097 -4.639 -5.119 1.00 0.00 C ATOM 324 C ASN A 22 -13.772 -5.104 -5.753 1.00 0.00 C ATOM 325 O ASN A 22 -13.517 -6.305 -5.868 1.00 0.00 O ATOM 326 CB ASN A 22 -16.312 -4.770 -6.083 1.00 0.00 C ATOM 327 CG ASN A 22 -16.673 -6.207 -6.425 1.00 0.00 C ATOM 328 OD1 ASN A 22 -16.646 -6.611 -7.590 1.00 0.00 O ATOM 329 ND2 ASN A 22 -17.055 -7.010 -5.407 1.00 0.00 N ATOM 0 H ASN A 22 -15.245 -3.391 -3.489 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.185 -5.346 -4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.177 -4.286 -5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.092 -4.231 -7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.330 -7.974 -5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.069 -6.652 -4.452 1.00 0.00 H new ATOM 336 N ALA A 23 -12.906 -4.180 -6.204 1.00 0.00 N ATOM 337 CA ALA A 23 -11.689 -4.453 -6.936 1.00 0.00 C ATOM 338 C ALA A 23 -10.556 -5.121 -6.152 1.00 0.00 C ATOM 339 O ALA A 23 -9.929 -4.528 -5.274 1.00 0.00 O ATOM 340 CB ALA A 23 -11.180 -3.134 -7.547 1.00 0.00 C ATOM 0 H ALA A 23 -13.056 -3.182 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.966 -5.191 -7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.262 -3.321 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.936 -2.729 -8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.982 -2.417 -6.751 1.00 0.00 H new ATOM 346 N VAL A 24 -10.232 -6.381 -6.494 1.00 0.00 N ATOM 347 CA VAL A 24 -9.093 -7.115 -5.961 1.00 0.00 C ATOM 348 C VAL A 24 -7.970 -7.132 -6.989 1.00 0.00 C ATOM 349 O VAL A 24 -8.169 -7.520 -8.140 1.00 0.00 O ATOM 350 CB VAL A 24 -9.477 -8.547 -5.596 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.246 -9.352 -5.131 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.541 -8.500 -4.482 1.00 0.00 C ATOM 0 H VAL A 24 -10.775 -6.922 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.758 -6.612 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.880 -9.048 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.550 -10.368 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.508 -9.383 -5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.809 -8.875 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.827 -9.516 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.132 -7.991 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.418 -7.960 -4.839 1.00 0.00 H new ATOM 362 N VAL A 25 -6.751 -6.694 -6.613 1.00 0.00 N ATOM 363 CA VAL A 25 -5.591 -6.683 -7.503 1.00 0.00 C ATOM 364 C VAL A 25 -4.384 -7.227 -6.754 1.00 0.00 C ATOM 365 O VAL A 25 -4.183 -6.933 -5.577 1.00 0.00 O ATOM 366 CB VAL A 25 -5.282 -5.275 -8.033 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.047 -5.263 -8.956 1.00 0.00 C ATOM 368 CG2 VAL A 25 -6.486 -4.734 -8.825 1.00 0.00 C ATOM 0 H VAL A 25 -6.552 -6.338 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.820 -7.311 -8.364 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.076 -4.646 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.865 -4.247 -9.308 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.177 -5.617 -8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.225 -5.916 -9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.258 -3.735 -9.197 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.695 -5.395 -9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.359 -4.688 -8.174 1.00 0.00 H new ATOM 378 N GLN A 26 -3.527 -8.035 -7.416 1.00 0.00 N ATOM 379 CA GLN A 26 -2.219 -8.392 -6.893 1.00 0.00 C ATOM 380 C GLN A 26 -1.126 -7.668 -7.655 1.00 0.00 C ATOM 381 O GLN A 26 -1.272 -7.321 -8.826 1.00 0.00 O ATOM 382 CB GLN A 26 -1.920 -9.907 -6.974 1.00 0.00 C ATOM 383 CG GLN A 26 -2.931 -10.764 -6.186 1.00 0.00 C ATOM 384 CD GLN A 26 -2.385 -12.169 -5.929 1.00 0.00 C ATOM 385 OE1 GLN A 26 -1.189 -12.372 -5.700 1.00 0.00 O ATOM 386 NE2 GLN A 26 -3.286 -13.169 -5.910 1.00 0.00 N ATOM 0 H GLN A 26 -3.735 -8.450 -8.324 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.235 -8.098 -5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.926 -10.217 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.917 -10.095 -6.591 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.159 -10.280 -5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.866 -10.831 -6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.268 -12.974 -6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.986 -14.122 -5.703 1.00 0.00 H new ATOM 395 N PHE A 27 0.020 -7.432 -6.999 1.00 0.00 N ATOM 396 CA PHE A 27 1.193 -6.910 -7.662 1.00 0.00 C ATOM 397 C PHE A 27 2.434 -7.463 -6.986 1.00 0.00 C ATOM 398 O PHE A 27 2.372 -8.038 -5.899 1.00 0.00 O ATOM 399 CB PHE A 27 1.209 -5.353 -7.738 1.00 0.00 C ATOM 400 CG PHE A 27 1.110 -4.689 -6.389 1.00 0.00 C ATOM 401 CD1 PHE A 27 2.271 -4.427 -5.640 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.136 -4.296 -5.872 1.00 0.00 C ATOM 403 CE1 PHE A 27 2.187 -3.790 -4.396 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.221 -3.650 -4.631 1.00 0.00 C ATOM 405 CZ PHE A 27 0.941 -3.396 -3.894 1.00 0.00 C ATOM 0 H PHE A 27 0.145 -7.601 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 27 1.173 -7.241 -8.700 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.127 -5.030 -8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.380 -5.018 -8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.236 -4.720 -6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.036 -4.493 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.084 -3.603 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.183 -3.348 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.877 -2.896 -2.939 1.00 0.00 H new ATOM 415 N LYS A 28 3.609 -7.307 -7.621 1.00 0.00 N ATOM 416 CA LYS A 28 4.866 -7.680 -7.006 1.00 0.00 C ATOM 417 C LYS A 28 5.731 -6.446 -6.783 1.00 0.00 C ATOM 418 O LYS A 28 5.686 -5.482 -7.550 1.00 0.00 O ATOM 419 CB LYS A 28 5.652 -8.739 -7.822 1.00 0.00 C ATOM 420 CG LYS A 28 4.838 -9.982 -8.231 1.00 0.00 C ATOM 421 CD LYS A 28 5.717 -11.191 -8.631 1.00 0.00 C ATOM 422 CE LYS A 28 6.898 -10.830 -9.541 1.00 0.00 C ATOM 423 NZ LYS A 28 7.549 -12.021 -10.107 1.00 0.00 N ATOM 0 H LYS A 28 3.700 -6.923 -8.562 1.00 0.00 H new ATOM 0 HA LYS A 28 4.620 -8.138 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.041 -8.266 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.512 -9.063 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.191 -10.271 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.189 -9.722 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.100 -11.664 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.094 -11.929 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.548 -10.190 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.629 -10.254 -8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.341 -11.728 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.907 -12.620 -9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.860 -12.558 -10.671 1.00 0.00 H new ATOM 437 N ILE A 29 6.547 -6.458 -5.716 1.00 0.00 N ATOM 438 CA ILE A 29 7.502 -5.409 -5.390 1.00 0.00 C ATOM 439 C ILE A 29 8.752 -6.109 -4.874 1.00 0.00 C ATOM 440 O ILE A 29 8.801 -7.331 -4.831 1.00 0.00 O ATOM 441 CB ILE A 29 6.917 -4.402 -4.391 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.647 -3.035 -4.411 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.825 -5.015 -2.975 1.00 0.00 C ATOM 444 CD1 ILE A 29 6.932 -1.965 -3.582 1.00 0.00 C ATOM 0 H ILE A 29 6.553 -7.224 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 29 7.750 -4.810 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 29 5.899 -4.183 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.660 -3.165 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.734 -2.691 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.407 -4.280 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.182 -5.895 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.821 -5.303 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.491 -1.030 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.928 -1.810 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.868 -2.291 -2.544 1.00 0.00 H new ATOM 456 N LYS A 30 9.819 -5.389 -4.489 1.00 0.00 N ATOM 457 CA LYS A 30 10.991 -5.989 -3.874 1.00 0.00 C ATOM 458 C LYS A 30 11.094 -5.451 -2.451 1.00 0.00 C ATOM 459 O LYS A 30 10.844 -4.268 -2.210 1.00 0.00 O ATOM 460 CB LYS A 30 12.255 -5.727 -4.744 1.00 0.00 C ATOM 461 CG LYS A 30 12.016 -6.222 -6.188 1.00 0.00 C ATOM 462 CD LYS A 30 13.223 -6.226 -7.147 1.00 0.00 C ATOM 463 CE LYS A 30 12.825 -6.887 -8.480 1.00 0.00 C ATOM 464 NZ LYS A 30 13.907 -6.929 -9.479 1.00 0.00 N ATOM 0 H LYS A 30 9.883 -4.377 -4.600 1.00 0.00 H new ATOM 0 HA LYS A 30 10.906 -7.074 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.488 -4.662 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.115 -6.239 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.625 -7.238 -6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.236 -5.603 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.563 -5.205 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.056 -6.766 -6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.489 -7.905 -8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.977 -6.347 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.535 -7.294 -10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.284 -5.970 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.668 -7.552 -9.141 1.00 0.00 H new ATOM 478 N LYS A 31 11.427 -6.305 -1.463 1.00 0.00 N ATOM 479 CA LYS A 31 11.298 -6.071 -0.022 1.00 0.00 C ATOM 480 C LYS A 31 12.302 -5.051 0.529 1.00 0.00 C ATOM 481 O LYS A 31 12.221 -4.584 1.661 1.00 0.00 O ATOM 482 CB LYS A 31 11.384 -7.438 0.710 1.00 0.00 C ATOM 483 CG LYS A 31 10.470 -7.677 1.925 1.00 0.00 C ATOM 484 CD LYS A 31 10.435 -9.181 2.301 1.00 0.00 C ATOM 485 CE LYS A 31 9.119 -9.626 2.958 1.00 0.00 C ATOM 486 NZ LYS A 31 9.110 -11.054 3.345 1.00 0.00 N ATOM 0 H LYS A 31 11.814 -7.226 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 31 10.326 -5.614 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.176 -8.219 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.414 -7.575 1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.826 -7.094 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.461 -7.330 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.600 -9.775 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.260 -9.395 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.939 -9.016 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.296 -9.439 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.409 -11.205 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.862 -11.636 2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.053 -11.326 3.690 1.00 0.00 H new ATOM 500 N HIS A 32 13.242 -4.606 -0.325 1.00 0.00 N ATOM 501 CA HIS A 32 14.069 -3.423 -0.130 1.00 0.00 C ATOM 502 C HIS A 32 13.273 -2.114 -0.109 1.00 0.00 C ATOM 503 O HIS A 32 13.732 -1.096 0.410 1.00 0.00 O ATOM 504 CB HIS A 32 15.074 -3.263 -1.306 1.00 0.00 C ATOM 505 CG HIS A 32 16.217 -4.241 -1.381 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.180 -5.576 -1.046 1.00 0.00 N ATOM 507 CD2 HIS A 32 17.470 -4.022 -1.870 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.397 -6.097 -1.339 1.00 0.00 C ATOM 509 NE2 HIS A 32 18.211 -5.188 -1.844 1.00 0.00 N ATOM 0 H HIS A 32 13.446 -5.087 -1.201 1.00 0.00 H new ATOM 0 HA HIS A 32 14.554 -3.582 0.833 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.514 -3.328 -2.239 1.00 0.00 H new ATOM 0 HB3 HIS A 32 15.494 -2.258 -1.256 1.00 0.00 H new ATOM 0 HD2 HIS A 32 17.833 -3.070 -2.228 1.00 0.00 H new ATOM 0 HE1 HIS A 32 17.668 -7.130 -1.179 1.00 0.00 H new ATOM 0 HE2 HIS A 32 19.176 -5.318 -2.148 1.00 0.00 H new ATOM 517 N THR A 33 12.076 -2.082 -0.725 1.00 0.00 N ATOM 518 CA THR A 33 11.343 -0.846 -1.026 1.00 0.00 C ATOM 519 C THR A 33 10.522 -0.349 0.163 1.00 0.00 C ATOM 520 O THR A 33 9.807 -1.161 0.755 1.00 0.00 O ATOM 521 CB THR A 33 10.363 -1.003 -2.193 1.00 0.00 C ATOM 522 OG1 THR A 33 10.947 -1.752 -3.251 1.00 0.00 O ATOM 523 CG2 THR A 33 9.996 0.360 -2.792 1.00 0.00 C ATOM 0 H THR A 33 11.589 -2.925 -1.029 1.00 0.00 H new ATOM 0 HA THR A 33 12.125 -0.131 -1.282 1.00 0.00 H new ATOM 0 HB THR A 33 9.485 -1.506 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.034 -2.689 -2.979 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.299 0.219 -3.618 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.530 0.980 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.898 0.851 -3.158 1.00 0.00 H new ATOM 531 N PRO A 34 10.538 0.918 0.588 1.00 0.00 N ATOM 532 CA PRO A 34 9.593 1.412 1.591 1.00 0.00 C ATOM 533 C PRO A 34 8.190 1.600 1.024 1.00 0.00 C ATOM 534 O PRO A 34 8.002 1.631 -0.192 1.00 0.00 O ATOM 535 CB PRO A 34 10.208 2.762 1.987 1.00 0.00 C ATOM 536 CG PRO A 34 10.889 3.256 0.708 1.00 0.00 C ATOM 537 CD PRO A 34 11.457 1.964 0.123 1.00 0.00 C ATOM 0 HA PRO A 34 9.462 0.720 2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.445 3.462 2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.924 2.650 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.182 3.734 0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.671 3.985 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.496 2.004 -0.966 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.474 1.783 0.472 1.00 0.00 H new ATOM 545 N LEU A 35 7.171 1.751 1.890 1.00 0.00 N ATOM 546 CA LEU A 35 5.782 1.827 1.463 1.00 0.00 C ATOM 547 C LEU A 35 5.449 3.157 0.791 1.00 0.00 C ATOM 548 O LEU A 35 4.760 3.198 -0.228 1.00 0.00 O ATOM 549 CB LEU A 35 4.798 1.581 2.643 1.00 0.00 C ATOM 550 CG LEU A 35 4.737 0.138 3.214 1.00 0.00 C ATOM 551 CD1 LEU A 35 4.498 -0.928 2.131 1.00 0.00 C ATOM 552 CD2 LEU A 35 5.942 -0.246 4.086 1.00 0.00 C ATOM 0 H LEU A 35 7.298 1.822 2.900 1.00 0.00 H new ATOM 0 HA LEU A 35 5.657 1.032 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.066 2.257 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.797 1.859 2.314 1.00 0.00 H new ATOM 0 HG LEU A 35 3.867 0.156 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.465 -1.915 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.551 -0.731 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.308 -0.895 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.821 -1.268 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.856 -0.174 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.006 0.432 4.937 1.00 0.00 H new ATOM 564 N ARG A 36 5.961 4.279 1.334 1.00 0.00 N ATOM 565 CA ARG A 36 5.752 5.632 0.835 1.00 0.00 C ATOM 566 C ARG A 36 6.020 5.847 -0.661 1.00 0.00 C ATOM 567 O ARG A 36 5.195 6.416 -1.376 1.00 0.00 O ATOM 568 CB ARG A 36 6.573 6.602 1.715 1.00 0.00 C ATOM 569 CG ARG A 36 6.326 8.090 1.410 1.00 0.00 C ATOM 570 CD ARG A 36 6.495 8.989 2.643 1.00 0.00 C ATOM 571 NE ARG A 36 6.309 10.424 2.263 1.00 0.00 N ATOM 572 CZ ARG A 36 5.157 11.006 1.901 1.00 0.00 C ATOM 573 NH1 ARG A 36 4.012 10.372 1.742 1.00 0.00 N ATOM 574 NH2 ARG A 36 5.170 12.327 1.753 1.00 0.00 N ATOM 0 H ARG A 36 6.553 4.255 2.164 1.00 0.00 H new ATOM 0 HA ARG A 36 4.684 5.834 0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.337 6.413 2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.633 6.386 1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.016 8.416 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.318 8.212 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.770 8.710 3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.485 8.845 3.075 1.00 0.00 H new ATOM 0 HE ARG A 36 7.139 11.017 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.961 9.365 1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.177 10.888 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.031 12.850 1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.319 12.818 1.479 1.00 0.00 H new ATOM 588 N LYS A 37 7.151 5.328 -1.198 1.00 0.00 N ATOM 589 CA LYS A 37 7.480 5.357 -2.622 1.00 0.00 C ATOM 590 C LYS A 37 6.406 4.744 -3.516 1.00 0.00 C ATOM 591 O LYS A 37 6.052 5.285 -4.565 1.00 0.00 O ATOM 592 CB LYS A 37 8.844 4.653 -2.884 1.00 0.00 C ATOM 593 CG LYS A 37 9.409 4.826 -4.314 1.00 0.00 C ATOM 594 CD LYS A 37 8.985 3.762 -5.356 1.00 0.00 C ATOM 595 CE LYS A 37 8.684 4.386 -6.727 1.00 0.00 C ATOM 596 NZ LYS A 37 8.452 3.377 -7.780 1.00 0.00 N ATOM 0 H LYS A 37 7.866 4.871 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 37 7.544 6.412 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.575 5.036 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.730 3.588 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.107 5.806 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.497 4.830 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.778 3.022 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.102 3.234 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.805 5.026 -6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.517 5.025 -7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.254 3.856 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.298 2.781 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.640 2.782 -7.518 1.00 0.00 H new ATOM 610 N LEU A 38 5.837 3.592 -3.105 1.00 0.00 N ATOM 611 CA LEU A 38 4.739 2.946 -3.800 1.00 0.00 C ATOM 612 C LEU A 38 3.470 3.780 -3.760 1.00 0.00 C ATOM 613 O LEU A 38 2.815 3.971 -4.783 1.00 0.00 O ATOM 614 CB LEU A 38 4.485 1.533 -3.218 1.00 0.00 C ATOM 615 CG LEU A 38 3.228 0.813 -3.758 1.00 0.00 C ATOM 616 CD1 LEU A 38 3.543 -0.626 -4.167 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.093 0.813 -2.722 1.00 0.00 C ATOM 0 H LEU A 38 6.141 3.090 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 38 5.027 2.849 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.356 0.911 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.400 1.614 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 38 2.901 1.367 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.638 -1.104 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.303 -0.624 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.913 -1.177 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.224 0.299 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.424 0.300 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.824 1.840 -2.477 1.00 0.00 H new ATOM 629 N MET A 39 3.104 4.334 -2.590 1.00 0.00 N ATOM 630 CA MET A 39 1.914 5.153 -2.448 1.00 0.00 C ATOM 631 C MET A 39 1.945 6.432 -3.271 1.00 0.00 C ATOM 632 O MET A 39 1.003 6.706 -4.013 1.00 0.00 O ATOM 633 CB MET A 39 1.617 5.483 -0.971 1.00 0.00 C ATOM 634 CG MET A 39 1.413 4.223 -0.109 1.00 0.00 C ATOM 635 SD MET A 39 0.381 4.458 1.368 1.00 0.00 S ATOM 636 CE MET A 39 1.157 5.978 1.985 1.00 0.00 C ATOM 0 H MET A 39 3.632 4.219 -1.725 1.00 0.00 H new ATOM 0 HA MET A 39 1.105 4.540 -2.846 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.440 6.069 -0.561 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.724 6.105 -0.915 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.963 3.447 -0.728 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.390 3.854 0.204 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.896 6.120 3.034 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.240 5.899 1.888 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.802 6.829 1.405 1.00 0.00 H new ATOM 646 N ASN A 40 3.047 7.216 -3.210 1.00 0.00 N ATOM 647 CA ASN A 40 3.217 8.428 -4.010 1.00 0.00 C ATOM 648 C ASN A 40 3.207 8.159 -5.513 1.00 0.00 C ATOM 649 O ASN A 40 2.687 8.942 -6.303 1.00 0.00 O ATOM 650 CB ASN A 40 4.522 9.195 -3.664 1.00 0.00 C ATOM 651 CG ASN A 40 4.619 9.602 -2.195 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.698 9.510 -1.606 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.512 10.090 -1.600 1.00 0.00 N ATOM 0 H ASN A 40 3.839 7.016 -2.599 1.00 0.00 H new ATOM 0 HA ASN A 40 2.354 9.042 -3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.379 8.571 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.584 10.089 -4.285 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.549 10.399 -0.629 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.637 10.150 -2.121 1.00 0.00 H new ATOM 660 N ALA A 41 3.755 7.009 -5.950 1.00 0.00 N ATOM 661 CA ALA A 41 3.624 6.549 -7.319 1.00 0.00 C ATOM 662 C ALA A 41 2.187 6.186 -7.687 1.00 0.00 C ATOM 663 O ALA A 41 1.649 6.662 -8.682 1.00 0.00 O ATOM 664 CB ALA A 41 4.547 5.334 -7.547 1.00 0.00 C ATOM 0 H ALA A 41 4.297 6.384 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 41 3.918 7.375 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.447 4.989 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.581 5.622 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.265 4.530 -6.867 1.00 0.00 H new ATOM 670 N TYR A 42 1.512 5.342 -6.888 1.00 0.00 N ATOM 671 CA TYR A 42 0.160 4.877 -7.148 1.00 0.00 C ATOM 672 C TYR A 42 -0.888 5.983 -7.212 1.00 0.00 C ATOM 673 O TYR A 42 -1.673 6.026 -8.160 1.00 0.00 O ATOM 674 CB TYR A 42 -0.266 3.802 -6.108 1.00 0.00 C ATOM 675 CG TYR A 42 0.270 2.409 -6.382 1.00 0.00 C ATOM 676 CD1 TYR A 42 1.236 2.105 -7.366 1.00 0.00 C ATOM 677 CD2 TYR A 42 -0.268 1.351 -5.628 1.00 0.00 C ATOM 678 CE1 TYR A 42 1.612 0.777 -7.612 1.00 0.00 C ATOM 679 CE2 TYR A 42 0.112 0.022 -5.868 1.00 0.00 C ATOM 680 CZ TYR A 42 1.041 -0.261 -6.871 1.00 0.00 C ATOM 681 OH TYR A 42 1.401 -1.588 -7.172 1.00 0.00 O ATOM 0 H TYR A 42 1.909 4.963 -6.028 1.00 0.00 H new ATOM 0 HA TYR A 42 0.198 4.439 -8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.070 4.118 -5.120 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.355 3.758 -6.076 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.690 2.903 -7.935 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.986 1.565 -4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.344 0.556 -8.375 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.312 -0.778 -5.280 1.00 0.00 H new ATOM 0 HH TYR A 42 0.889 -2.202 -6.606 1.00 0.00 H new ATOM 691 N CYS A 43 -0.928 6.918 -6.237 1.00 0.00 N ATOM 692 CA CYS A 43 -1.916 7.992 -6.233 1.00 0.00 C ATOM 693 C CYS A 43 -1.806 8.930 -7.434 1.00 0.00 C ATOM 694 O CYS A 43 -2.781 9.140 -8.158 1.00 0.00 O ATOM 695 CB CYS A 43 -1.953 8.789 -4.895 1.00 0.00 C ATOM 696 SG CYS A 43 -0.387 9.585 -4.410 1.00 0.00 S ATOM 0 H CYS A 43 -0.283 6.941 -5.448 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.873 7.478 -6.325 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.722 9.558 -4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.258 8.111 -4.097 1.00 0.00 H new ATOM 0 HG CYS A 43 0.438 8.684 -3.965 1.00 0.00 H new ATOM 702 N ASP A 44 -0.608 9.480 -7.709 1.00 0.00 N ATOM 703 CA ASP A 44 -0.370 10.372 -8.824 1.00 0.00 C ATOM 704 C ASP A 44 -0.315 9.690 -10.201 1.00 0.00 C ATOM 705 O ASP A 44 -0.635 10.316 -11.212 1.00 0.00 O ATOM 706 CB ASP A 44 0.904 11.214 -8.559 1.00 0.00 C ATOM 707 CG ASP A 44 0.513 12.520 -7.926 1.00 0.00 C ATOM 708 OD1 ASP A 44 0.381 12.636 -6.687 1.00 0.00 O ATOM 709 OD2 ASP A 44 0.349 13.499 -8.703 1.00 0.00 O ATOM 0 H ASP A 44 0.224 9.305 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.243 11.022 -8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.585 10.669 -7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.436 11.394 -9.493 1.00 0.00 H new ATOM 714 N ARG A 45 0.052 8.393 -10.319 1.00 0.00 N ATOM 715 CA ARG A 45 -0.047 7.680 -11.593 1.00 0.00 C ATOM 716 C ARG A 45 -1.498 7.439 -11.998 1.00 0.00 C ATOM 717 O ARG A 45 -1.874 7.617 -13.160 1.00 0.00 O ATOM 718 CB ARG A 45 0.709 6.321 -11.577 1.00 0.00 C ATOM 719 CG ARG A 45 0.851 5.619 -12.951 1.00 0.00 C ATOM 720 CD ARG A 45 1.843 6.327 -13.882 1.00 0.00 C ATOM 721 NE ARG A 45 1.839 5.644 -15.216 1.00 0.00 N ATOM 722 CZ ARG A 45 2.771 5.862 -16.150 1.00 0.00 C ATOM 723 NH1 ARG A 45 3.801 6.669 -15.962 1.00 0.00 N ATOM 724 NH2 ARG A 45 2.640 5.298 -17.343 1.00 0.00 N ATOM 0 H ARG A 45 0.415 7.831 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 45 0.427 8.330 -12.328 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.706 6.485 -11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.192 5.646 -10.896 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.176 4.590 -12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.125 5.575 -13.434 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.568 7.376 -13.996 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.844 6.305 -13.451 1.00 0.00 H new ATOM 0 HE ARG A 45 1.091 4.982 -15.421 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.910 7.158 -15.073 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.486 6.803 -16.706 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.834 4.705 -17.541 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.345 5.458 -18.063 1.00 0.00 H new ATOM 738 N ALA A 46 -2.360 7.061 -11.033 1.00 0.00 N ATOM 739 CA ALA A 46 -3.797 6.986 -11.213 1.00 0.00 C ATOM 740 C ALA A 46 -4.405 8.360 -11.482 1.00 0.00 C ATOM 741 O ALA A 46 -5.076 8.572 -12.491 1.00 0.00 O ATOM 742 CB ALA A 46 -4.430 6.370 -9.949 1.00 0.00 C ATOM 0 H ALA A 46 -2.057 6.798 -10.095 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.003 6.361 -12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.511 6.310 -10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.027 5.370 -9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.200 6.994 -9.086 1.00 0.00 H new ATOM 748 N GLY A 47 -4.130 9.324 -10.589 1.00 0.00 N ATOM 749 CA GLY A 47 -4.569 10.708 -10.684 1.00 0.00 C ATOM 750 C GLY A 47 -5.619 11.018 -9.660 1.00 0.00 C ATOM 751 O GLY A 47 -6.642 11.626 -9.965 1.00 0.00 O ATOM 0 H GLY A 47 -3.574 9.145 -9.753 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.716 11.373 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.964 10.899 -11.682 1.00 0.00 H new ATOM 755 N LEU A 48 -5.393 10.624 -8.398 1.00 0.00 N ATOM 756 CA LEU A 48 -6.334 10.860 -7.324 1.00 0.00 C ATOM 757 C LEU A 48 -5.612 11.308 -6.070 1.00 0.00 C ATOM 758 O LEU A 48 -4.395 11.199 -5.952 1.00 0.00 O ATOM 759 CB LEU A 48 -7.241 9.620 -7.070 1.00 0.00 C ATOM 760 CG LEU A 48 -6.532 8.266 -6.814 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.945 8.134 -5.400 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.514 7.110 -7.059 1.00 0.00 C ATOM 0 H LEU A 48 -4.548 10.133 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.998 11.669 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.877 9.836 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.898 9.500 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.695 8.225 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.465 7.161 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.209 8.921 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.744 8.226 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.011 6.160 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.364 7.205 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.865 7.143 -8.090 1.00 0.00 H new ATOM 774 N SER A 49 -6.354 11.843 -5.087 1.00 0.00 N ATOM 775 CA SER A 49 -5.772 12.312 -3.839 1.00 0.00 C ATOM 776 C SER A 49 -5.725 11.219 -2.804 1.00 0.00 C ATOM 777 O SER A 49 -6.732 10.575 -2.523 1.00 0.00 O ATOM 778 CB SER A 49 -6.561 13.486 -3.206 1.00 0.00 C ATOM 779 OG SER A 49 -6.635 14.580 -4.120 1.00 0.00 O ATOM 0 H SER A 49 -7.366 11.958 -5.143 1.00 0.00 H new ATOM 0 HA SER A 49 -4.770 12.644 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.565 13.157 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.075 13.805 -2.284 1.00 0.00 H new ATOM 0 HG SER A 49 -7.137 15.315 -3.710 1.00 0.00 H new ATOM 785 N MET A 50 -4.559 10.997 -2.167 1.00 0.00 N ATOM 786 CA MET A 50 -4.366 9.942 -1.180 1.00 0.00 C ATOM 787 C MET A 50 -5.327 10.009 0.008 1.00 0.00 C ATOM 788 O MET A 50 -5.774 8.992 0.527 1.00 0.00 O ATOM 789 CB MET A 50 -2.911 9.988 -0.668 1.00 0.00 C ATOM 790 CG MET A 50 -2.407 8.758 0.118 1.00 0.00 C ATOM 791 SD MET A 50 -1.880 7.349 -0.912 1.00 0.00 S ATOM 792 CE MET A 50 -3.436 6.419 -0.923 1.00 0.00 C ATOM 0 H MET A 50 -3.722 11.556 -2.332 1.00 0.00 H new ATOM 0 HA MET A 50 -4.581 9.002 -1.688 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.254 10.135 -1.525 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.804 10.865 -0.030 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.569 9.064 0.744 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.200 8.423 0.787 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.222 5.353 -0.993 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.986 6.619 -0.003 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.037 6.725 -1.779 1.00 0.00 H new ATOM 802 N GLN A 51 -5.722 11.231 0.428 1.00 0.00 N ATOM 803 CA GLN A 51 -6.641 11.467 1.530 1.00 0.00 C ATOM 804 C GLN A 51 -8.020 10.808 1.431 1.00 0.00 C ATOM 805 O GLN A 51 -8.671 10.558 2.446 1.00 0.00 O ATOM 806 CB GLN A 51 -6.857 12.983 1.765 1.00 0.00 C ATOM 807 CG GLN A 51 -5.546 13.759 2.029 1.00 0.00 C ATOM 808 CD GLN A 51 -5.799 15.029 2.846 1.00 0.00 C ATOM 809 OE1 GLN A 51 -5.753 16.159 2.355 1.00 0.00 O ATOM 810 NE2 GLN A 51 -6.051 14.829 4.160 1.00 0.00 N ATOM 0 H GLN A 51 -5.395 12.092 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.133 10.986 2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.354 13.410 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.528 13.119 2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.843 13.117 2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.081 14.023 1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.082 13.881 4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.210 15.626 4.776 1.00 0.00 H new ATOM 819 N VAL A 52 -8.525 10.492 0.217 1.00 0.00 N ATOM 820 CA VAL A 52 -9.810 9.809 0.102 1.00 0.00 C ATOM 821 C VAL A 52 -9.681 8.312 0.361 1.00 0.00 C ATOM 822 O VAL A 52 -10.633 7.650 0.776 1.00 0.00 O ATOM 823 CB VAL A 52 -10.564 10.084 -1.203 1.00 0.00 C ATOM 824 CG1 VAL A 52 -10.608 11.605 -1.454 1.00 0.00 C ATOM 825 CG2 VAL A 52 -9.979 9.343 -2.421 1.00 0.00 C ATOM 0 H VAL A 52 -8.067 10.698 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.426 10.245 0.888 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.574 9.693 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.144 11.805 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.120 12.096 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.591 11.991 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.563 9.585 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.944 9.651 -2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.015 8.268 -2.245 1.00 0.00 H new ATOM 835 N VAL A 53 -8.477 7.757 0.151 1.00 0.00 N ATOM 836 CA VAL A 53 -8.176 6.339 0.149 1.00 0.00 C ATOM 837 C VAL A 53 -7.688 5.895 1.527 1.00 0.00 C ATOM 838 O VAL A 53 -6.548 6.143 1.917 1.00 0.00 O ATOM 839 CB VAL A 53 -7.088 6.066 -0.890 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.799 4.562 -1.016 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.523 6.613 -2.265 1.00 0.00 C ATOM 0 H VAL A 53 -7.651 8.327 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.079 5.781 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.179 6.569 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.021 4.402 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.464 4.174 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.707 4.041 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.742 6.414 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.446 6.124 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.688 7.688 -2.193 1.00 0.00 H new ATOM 851 N ARG A 54 -8.536 5.224 2.339 1.00 0.00 N ATOM 852 CA ARG A 54 -8.129 4.822 3.679 1.00 0.00 C ATOM 853 C ARG A 54 -7.745 3.360 3.735 1.00 0.00 C ATOM 854 O ARG A 54 -8.580 2.463 3.776 1.00 0.00 O ATOM 855 CB ARG A 54 -9.174 5.156 4.773 1.00 0.00 C ATOM 856 CG ARG A 54 -9.107 6.635 5.213 1.00 0.00 C ATOM 857 CD ARG A 54 -9.814 7.632 4.292 1.00 0.00 C ATOM 858 NE ARG A 54 -11.271 7.604 4.663 1.00 0.00 N ATOM 859 CZ ARG A 54 -11.833 8.493 5.488 1.00 0.00 C ATOM 860 NH1 ARG A 54 -11.105 9.410 6.116 1.00 0.00 N ATOM 861 NH2 ARG A 54 -13.148 8.490 5.674 1.00 0.00 N ATOM 0 H ARG A 54 -9.487 4.959 2.084 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.246 5.421 3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.173 4.935 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.010 4.514 5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.540 6.719 6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.059 6.924 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.402 8.633 4.417 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.676 7.358 3.246 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.859 6.871 4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.096 9.446 5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.555 10.078 6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.730 7.809 5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.576 9.169 6.304 1.00 0.00 H new ATOM 875 N PHE A 55 -6.432 3.093 3.755 1.00 0.00 N ATOM 876 CA PHE A 55 -5.864 1.765 3.851 1.00 0.00 C ATOM 877 C PHE A 55 -5.660 1.326 5.302 1.00 0.00 C ATOM 878 O PHE A 55 -5.349 2.132 6.181 1.00 0.00 O ATOM 879 CB PHE A 55 -4.536 1.681 3.040 1.00 0.00 C ATOM 880 CG PHE A 55 -3.625 2.853 3.328 1.00 0.00 C ATOM 881 CD1 PHE A 55 -2.771 2.837 4.442 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.661 4.002 2.517 1.00 0.00 C ATOM 883 CE1 PHE A 55 -1.988 3.955 4.760 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.881 5.121 2.831 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.046 5.098 3.954 1.00 0.00 C ATOM 0 H PHE A 55 -5.724 3.826 3.703 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.580 1.069 3.414 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.020 0.752 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.763 1.651 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.717 1.953 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.296 4.021 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.341 3.935 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.923 6.002 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.446 5.962 4.199 1.00 0.00 H new ATOM 895 N ARG A 56 -5.859 0.024 5.590 1.00 0.00 N ATOM 896 CA ARG A 56 -5.586 -0.557 6.896 1.00 0.00 C ATOM 897 C ARG A 56 -4.902 -1.914 6.733 1.00 0.00 C ATOM 898 O ARG A 56 -5.051 -2.599 5.721 1.00 0.00 O ATOM 899 CB ARG A 56 -6.858 -0.724 7.781 1.00 0.00 C ATOM 900 CG ARG A 56 -7.461 0.591 8.338 1.00 0.00 C ATOM 901 CD ARG A 56 -8.455 1.340 7.431 1.00 0.00 C ATOM 902 NE ARG A 56 -9.633 0.457 7.191 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.603 0.189 8.069 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.736 0.864 9.202 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.452 -0.797 7.830 1.00 0.00 N ATOM 0 H ARG A 56 -6.216 -0.648 4.911 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.930 0.145 7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.623 -1.234 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.613 -1.375 8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.965 0.362 9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.640 1.268 8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.769 2.272 7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.981 1.604 6.486 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.704 0.018 6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.085 1.616 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.489 0.631 9.849 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.365 -1.350 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.194 -1.004 8.498 1.00 0.00 H new ATOM 919 N PHE A 57 -4.110 -2.342 7.737 1.00 0.00 N ATOM 920 CA PHE A 57 -3.374 -3.593 7.716 1.00 0.00 C ATOM 921 C PHE A 57 -3.444 -4.238 9.098 1.00 0.00 C ATOM 922 O PHE A 57 -3.320 -3.565 10.116 1.00 0.00 O ATOM 923 CB PHE A 57 -1.898 -3.348 7.301 1.00 0.00 C ATOM 924 CG PHE A 57 -1.181 -4.644 7.025 1.00 0.00 C ATOM 925 CD1 PHE A 57 -1.435 -5.351 5.840 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.287 -5.188 7.966 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.805 -6.576 5.592 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.343 -6.418 7.723 1.00 0.00 C ATOM 929 CZ PHE A 57 0.085 -7.110 6.533 1.00 0.00 C ATOM 0 H PHE A 57 -3.971 -1.808 8.595 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.821 -4.264 6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.868 -2.718 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.381 -2.806 8.093 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.123 -4.946 5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.084 -4.654 8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.005 -7.110 4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.025 -6.830 8.452 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.572 -8.055 6.341 1.00 0.00 H new ATOM 939 N ASP A 58 -3.678 -5.571 9.171 1.00 0.00 N ATOM 940 CA ASP A 58 -3.815 -6.332 10.412 1.00 0.00 C ATOM 941 C ASP A 58 -4.862 -5.751 11.389 1.00 0.00 C ATOM 942 O ASP A 58 -4.712 -5.737 12.613 1.00 0.00 O ATOM 943 CB ASP A 58 -2.409 -6.540 11.044 1.00 0.00 C ATOM 944 CG ASP A 58 -2.339 -7.712 11.990 1.00 0.00 C ATOM 945 OD1 ASP A 58 -3.274 -8.547 12.043 1.00 0.00 O ATOM 946 OD2 ASP A 58 -1.306 -7.841 12.700 1.00 0.00 O ATOM 0 H ASP A 58 -3.777 -6.152 8.338 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.226 -7.312 10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.679 -6.683 10.247 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.123 -5.634 11.579 1.00 0.00 H new ATOM 951 N GLY A 59 -5.964 -5.211 10.826 1.00 0.00 N ATOM 952 CA GLY A 59 -7.007 -4.520 11.576 1.00 0.00 C ATOM 953 C GLY A 59 -6.802 -3.028 11.699 1.00 0.00 C ATOM 954 O GLY A 59 -7.767 -2.276 11.804 1.00 0.00 O ATOM 0 H GLY A 59 -6.146 -5.249 9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.967 -4.704 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.065 -4.950 12.576 1.00 0.00 H new ATOM 958 N GLN A 60 -5.544 -2.557 11.726 1.00 0.00 N ATOM 959 CA GLN A 60 -5.166 -1.257 12.248 1.00 0.00 C ATOM 960 C GLN A 60 -4.664 -0.308 11.146 1.00 0.00 C ATOM 961 O GLN A 60 -4.363 -0.758 10.038 1.00 0.00 O ATOM 962 CB GLN A 60 -4.102 -1.499 13.357 1.00 0.00 C ATOM 963 CG GLN A 60 -4.705 -2.293 14.548 1.00 0.00 C ATOM 964 CD GLN A 60 -3.725 -2.587 15.686 1.00 0.00 C ATOM 965 OE1 GLN A 60 -2.497 -2.555 15.573 1.00 0.00 O ATOM 966 NE2 GLN A 60 -4.305 -2.917 16.864 1.00 0.00 N ATOM 0 H GLN A 60 -4.751 -3.092 11.374 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.036 -0.753 12.669 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.257 -2.048 12.941 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.718 -0.543 13.711 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.549 -1.732 14.950 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.099 -3.238 14.174 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.322 -2.939 16.943 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.725 -3.143 17.672 1.00 0.00 H new ATOM 975 N PRO A 61 -4.579 1.013 11.336 1.00 0.00 N ATOM 976 CA PRO A 61 -3.917 1.910 10.390 1.00 0.00 C ATOM 977 C PRO A 61 -2.404 1.756 10.451 1.00 0.00 C ATOM 978 O PRO A 61 -1.887 1.112 11.363 1.00 0.00 O ATOM 979 CB PRO A 61 -4.351 3.303 10.879 1.00 0.00 C ATOM 980 CG PRO A 61 -4.508 3.134 12.391 1.00 0.00 C ATOM 981 CD PRO A 61 -5.088 1.726 12.509 1.00 0.00 C ATOM 0 HA PRO A 61 -4.185 1.713 9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.605 4.061 10.638 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.286 3.616 10.413 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.554 3.225 12.910 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.175 3.884 12.816 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.771 1.244 13.434 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.178 1.746 12.518 1.00 0.00 H new ATOM 989 N ILE A 62 -1.668 2.328 9.480 1.00 0.00 N ATOM 990 CA ILE A 62 -0.230 2.129 9.388 1.00 0.00 C ATOM 991 C ILE A 62 0.503 3.427 9.076 1.00 0.00 C ATOM 992 O ILE A 62 0.080 4.250 8.260 1.00 0.00 O ATOM 993 CB ILE A 62 0.120 1.018 8.388 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.603 0.570 8.430 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.296 1.407 6.953 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.014 -0.091 9.750 1.00 0.00 C ATOM 0 H ILE A 62 -2.056 2.930 8.753 1.00 0.00 H new ATOM 0 HA ILE A 62 0.115 1.801 10.368 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.460 0.151 8.705 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.785 -0.128 7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.240 1.437 8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.035 0.601 6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.372 1.578 6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.225 2.317 6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.065 -0.377 9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.866 0.611 10.570 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.404 -0.979 9.918 1.00 0.00 H new ATOM 1008 N ASN A 63 1.650 3.647 9.747 1.00 0.00 N ATOM 1009 CA ASN A 63 2.581 4.718 9.448 1.00 0.00 C ATOM 1010 C ASN A 63 3.464 4.356 8.258 1.00 0.00 C ATOM 1011 O ASN A 63 4.184 3.362 8.264 1.00 0.00 O ATOM 1012 CB ASN A 63 3.492 5.028 10.661 1.00 0.00 C ATOM 1013 CG ASN A 63 2.677 5.671 11.774 1.00 0.00 C ATOM 1014 OD1 ASN A 63 1.542 6.115 11.607 1.00 0.00 O ATOM 1015 ND2 ASN A 63 3.287 5.765 12.976 1.00 0.00 N ATOM 0 H ASN A 63 1.949 3.063 10.528 1.00 0.00 H new ATOM 0 HA ASN A 63 1.985 5.599 9.210 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.955 4.110 11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.299 5.695 10.359 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.806 6.208 13.759 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.228 5.393 13.101 1.00 0.00 H new ATOM 1022 N GLU A 64 3.437 5.173 7.191 1.00 0.00 N ATOM 1023 CA GLU A 64 4.011 4.833 5.897 1.00 0.00 C ATOM 1024 C GLU A 64 5.536 4.884 5.788 1.00 0.00 C ATOM 1025 O GLU A 64 6.118 4.511 4.768 1.00 0.00 O ATOM 1026 CB GLU A 64 3.415 5.790 4.842 1.00 0.00 C ATOM 1027 CG GLU A 64 3.779 7.274 5.089 1.00 0.00 C ATOM 1028 CD GLU A 64 3.166 8.187 4.049 1.00 0.00 C ATOM 1029 OE1 GLU A 64 3.465 8.025 2.842 1.00 0.00 O ATOM 1030 OE2 GLU A 64 2.436 9.129 4.449 1.00 0.00 O ATOM 0 H GLU A 64 3.008 6.098 7.213 1.00 0.00 H new ATOM 0 HA GLU A 64 3.755 3.785 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.768 5.496 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.330 5.685 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.437 7.572 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.863 7.388 5.079 1.00 0.00 H new ATOM 1037 N ASN A 65 6.226 5.362 6.842 1.00 0.00 N ATOM 1038 CA ASN A 65 7.662 5.564 6.864 1.00 0.00 C ATOM 1039 C ASN A 65 8.458 4.272 7.045 1.00 0.00 C ATOM 1040 O ASN A 65 9.585 4.158 6.568 1.00 0.00 O ATOM 1041 CB ASN A 65 7.999 6.572 7.999 1.00 0.00 C ATOM 1042 CG ASN A 65 9.397 7.183 7.890 1.00 0.00 C ATOM 1043 OD1 ASN A 65 10.413 6.565 8.226 1.00 0.00 O ATOM 1044 ND2 ASN A 65 9.476 8.445 7.413 1.00 0.00 N ATOM 0 H ASN A 65 5.774 5.621 7.719 1.00 0.00 H new ATOM 0 HA ASN A 65 7.957 5.957 5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.261 7.374 7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.908 6.066 8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.384 8.901 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.628 8.941 7.140 1.00 0.00 H new ATOM 1051 N ASP A 66 7.905 3.267 7.754 1.00 0.00 N ATOM 1052 CA ASP A 66 8.641 2.070 8.118 1.00 0.00 C ATOM 1053 C ASP A 66 8.849 1.106 6.938 1.00 0.00 C ATOM 1054 O ASP A 66 8.290 1.252 5.849 1.00 0.00 O ATOM 1055 CB ASP A 66 7.931 1.390 9.325 1.00 0.00 C ATOM 1056 CG ASP A 66 8.836 0.472 10.128 1.00 0.00 C ATOM 1057 OD1 ASP A 66 10.079 0.487 9.918 1.00 0.00 O ATOM 1058 OD2 ASP A 66 8.305 -0.264 10.990 1.00 0.00 O ATOM 0 H ASP A 66 6.939 3.275 8.082 1.00 0.00 H new ATOM 0 HA ASP A 66 9.649 2.361 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.535 2.162 9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.080 0.816 8.958 1.00 0.00 H new ATOM 1063 N THR A 67 9.716 0.103 7.123 1.00 0.00 N ATOM 1064 CA THR A 67 10.155 -0.810 6.079 1.00 0.00 C ATOM 1065 C THR A 67 9.658 -2.224 6.344 1.00 0.00 C ATOM 1066 O THR A 67 9.409 -2.603 7.492 1.00 0.00 O ATOM 1067 CB THR A 67 11.673 -0.809 5.916 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.328 -1.020 7.157 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.097 0.572 5.404 1.00 0.00 C ATOM 0 H THR A 67 10.139 -0.095 8.030 1.00 0.00 H new ATOM 0 HA THR A 67 9.720 -0.452 5.146 1.00 0.00 H new ATOM 0 HB THR A 67 11.945 -1.609 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.790 -1.884 7.140 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.180 0.597 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.617 0.768 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.797 1.334 6.123 1.00 0.00 H new ATOM 1077 N PRO A 68 9.474 -3.093 5.344 1.00 0.00 N ATOM 1078 CA PRO A 68 8.890 -4.418 5.569 1.00 0.00 C ATOM 1079 C PRO A 68 9.869 -5.371 6.239 1.00 0.00 C ATOM 1080 O PRO A 68 9.464 -6.456 6.658 1.00 0.00 O ATOM 1081 CB PRO A 68 8.494 -4.875 4.155 1.00 0.00 C ATOM 1082 CG PRO A 68 9.458 -4.135 3.231 1.00 0.00 C ATOM 1083 CD PRO A 68 9.613 -2.782 3.917 1.00 0.00 C ATOM 0 HA PRO A 68 8.042 -4.397 6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.590 -5.955 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.457 -4.622 3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.412 -4.655 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.055 -4.034 2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.581 -2.332 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.851 -2.076 3.586 1.00 0.00 H new ATOM 1091 N THR A 69 11.145 -4.968 6.378 1.00 0.00 N ATOM 1092 CA THR A 69 12.177 -5.627 7.168 1.00 0.00 C ATOM 1093 C THR A 69 11.941 -5.462 8.659 1.00 0.00 C ATOM 1094 O THR A 69 12.251 -6.352 9.444 1.00 0.00 O ATOM 1095 CB THR A 69 13.585 -5.144 6.807 1.00 0.00 C ATOM 1096 OG1 THR A 69 13.648 -3.726 6.653 1.00 0.00 O ATOM 1097 CG2 THR A 69 13.960 -5.733 5.440 1.00 0.00 C ATOM 0 H THR A 69 11.493 -4.129 5.914 1.00 0.00 H new ATOM 0 HA THR A 69 12.110 -6.687 6.921 1.00 0.00 H new ATOM 0 HB THR A 69 14.251 -5.454 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.564 -3.462 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.961 -5.401 5.163 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.941 -6.821 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.245 -5.395 4.690 1.00 0.00 H new ATOM 1105 N SER A 70 11.334 -4.336 9.090 1.00 0.00 N ATOM 1106 CA SER A 70 10.948 -4.097 10.479 1.00 0.00 C ATOM 1107 C SER A 70 9.739 -4.931 10.849 1.00 0.00 C ATOM 1108 O SER A 70 9.716 -5.672 11.833 1.00 0.00 O ATOM 1109 CB SER A 70 10.537 -2.621 10.727 1.00 0.00 C ATOM 1110 OG SER A 70 11.546 -1.712 10.289 1.00 0.00 O ATOM 0 H SER A 70 11.099 -3.563 8.467 1.00 0.00 H new ATOM 0 HA SER A 70 11.822 -4.356 11.077 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.605 -2.410 10.203 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.347 -2.470 11.790 1.00 0.00 H new ATOM 0 HG SER A 70 11.183 -0.802 10.276 1.00 0.00 H new ATOM 1116 N LEU A 71 8.693 -4.822 10.008 1.00 0.00 N ATOM 1117 CA LEU A 71 7.404 -5.460 10.173 1.00 0.00 C ATOM 1118 C LEU A 71 7.459 -6.979 10.191 1.00 0.00 C ATOM 1119 O LEU A 71 6.806 -7.615 11.016 1.00 0.00 O ATOM 1120 CB LEU A 71 6.444 -5.017 9.036 1.00 0.00 C ATOM 1121 CG LEU A 71 6.244 -3.491 8.903 1.00 0.00 C ATOM 1122 CD1 LEU A 71 5.361 -3.175 7.687 1.00 0.00 C ATOM 1123 CD2 LEU A 71 5.641 -2.861 10.168 1.00 0.00 C ATOM 0 H LEU A 71 8.742 -4.257 9.160 1.00 0.00 H new ATOM 0 HA LEU A 71 7.043 -5.140 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.825 -5.401 8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.472 -5.482 9.201 1.00 0.00 H new ATOM 0 HG LEU A 71 7.232 -3.052 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.228 -2.096 7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.839 -3.552 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.389 -3.652 7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.522 -1.788 10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.668 -3.309 10.369 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.304 -3.038 11.015 1.00 0.00 H new ATOM 1135 N GLU A 72 8.238 -7.582 9.269 1.00 0.00 N ATOM 1136 CA GLU A 72 8.253 -9.012 8.994 1.00 0.00 C ATOM 1137 C GLU A 72 6.958 -9.467 8.323 1.00 0.00 C ATOM 1138 O GLU A 72 6.346 -10.470 8.685 1.00 0.00 O ATOM 1139 CB GLU A 72 8.676 -9.937 10.182 1.00 0.00 C ATOM 1140 CG GLU A 72 10.021 -9.549 10.851 1.00 0.00 C ATOM 1141 CD GLU A 72 10.542 -10.595 11.830 1.00 0.00 C ATOM 1142 OE1 GLU A 72 9.753 -11.179 12.620 1.00 0.00 O ATOM 1143 OE2 GLU A 72 11.780 -10.836 11.829 1.00 0.00 O ATOM 0 H GLU A 72 8.890 -7.060 8.683 1.00 0.00 H new ATOM 0 HA GLU A 72 9.071 -9.141 8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.890 -9.919 10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.747 -10.963 9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.769 -9.386 10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.896 -8.603 11.377 1.00 0.00 H new ATOM 1150 N MET A 73 6.521 -8.713 7.290 1.00 0.00 N ATOM 1151 CA MET A 73 5.436 -9.119 6.413 1.00 0.00 C ATOM 1152 C MET A 73 5.909 -10.170 5.421 1.00 0.00 C ATOM 1153 O MET A 73 7.110 -10.340 5.183 1.00 0.00 O ATOM 1154 CB MET A 73 4.812 -7.920 5.647 1.00 0.00 C ATOM 1155 CG MET A 73 5.787 -7.081 4.802 1.00 0.00 C ATOM 1156 SD MET A 73 4.993 -6.074 3.504 1.00 0.00 S ATOM 1157 CE MET A 73 3.783 -5.177 4.522 1.00 0.00 C ATOM 0 H MET A 73 6.922 -7.806 7.053 1.00 0.00 H new ATOM 0 HA MET A 73 4.662 -9.544 7.052 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.029 -8.301 4.992 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.330 -7.262 6.371 1.00 0.00 H new ATOM 0 HG2 MET A 73 6.346 -6.421 5.465 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.510 -7.749 4.334 1.00 0.00 H new ATOM 0 HE1 MET A 73 3.326 -4.384 3.930 1.00 0.00 H new ATOM 0 HE2 MET A 73 3.011 -5.867 4.862 1.00 0.00 H new ATOM 0 HE3 MET A 73 4.286 -4.741 5.385 1.00 0.00 H new ATOM 1167 N GLU A 74 4.986 -10.927 4.819 1.00 0.00 N ATOM 1168 CA GLU A 74 5.332 -12.040 3.967 1.00 0.00 C ATOM 1169 C GLU A 74 5.006 -11.736 2.510 1.00 0.00 C ATOM 1170 O GLU A 74 4.313 -10.783 2.159 1.00 0.00 O ATOM 1171 CB GLU A 74 4.668 -13.328 4.516 1.00 0.00 C ATOM 1172 CG GLU A 74 5.247 -14.654 3.970 1.00 0.00 C ATOM 1173 CD GLU A 74 4.886 -15.840 4.844 1.00 0.00 C ATOM 1174 OE1 GLU A 74 5.298 -15.881 6.031 1.00 0.00 O ATOM 1175 OE2 GLU A 74 4.293 -16.817 4.316 1.00 0.00 O ATOM 0 H GLU A 74 3.982 -10.775 4.917 1.00 0.00 H new ATOM 0 HA GLU A 74 6.409 -12.210 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.760 -13.330 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.603 -13.294 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.874 -14.823 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.332 -14.573 3.900 1.00 0.00 H new ATOM 1182 N GLU A 75 5.556 -12.527 1.579 1.00 0.00 N ATOM 1183 CA GLU A 75 5.280 -12.480 0.163 1.00 0.00 C ATOM 1184 C GLU A 75 3.889 -13.001 -0.218 1.00 0.00 C ATOM 1185 O GLU A 75 3.723 -13.868 -1.077 1.00 0.00 O ATOM 1186 CB GLU A 75 6.404 -13.235 -0.610 1.00 0.00 C ATOM 1187 CG GLU A 75 7.116 -14.380 0.168 1.00 0.00 C ATOM 1188 CD GLU A 75 8.422 -13.937 0.830 1.00 0.00 C ATOM 1189 OE1 GLU A 75 8.390 -13.032 1.710 1.00 0.00 O ATOM 1190 OE2 GLU A 75 9.484 -14.494 0.442 1.00 0.00 O ATOM 0 H GLU A 75 6.237 -13.247 1.819 1.00 0.00 H new ATOM 0 HA GLU A 75 5.274 -11.429 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.974 -13.654 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.157 -12.509 -0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.441 -14.766 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.324 -15.202 -0.517 1.00 0.00 H new ATOM 1197 N GLY A 76 2.826 -12.443 0.380 1.00 0.00 N ATOM 1198 CA GLY A 76 1.461 -12.729 -0.035 1.00 0.00 C ATOM 1199 C GLY A 76 0.415 -11.887 0.630 1.00 0.00 C ATOM 1200 O GLY A 76 -0.760 -12.241 0.618 1.00 0.00 O ATOM 0 H GLY A 76 2.896 -11.787 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.387 -12.591 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.246 -13.778 0.168 1.00 0.00 H new ATOM 1204 N ASP A 77 0.791 -10.756 1.244 1.00 0.00 N ATOM 1205 CA ASP A 77 -0.050 -10.139 2.254 1.00 0.00 C ATOM 1206 C ASP A 77 -1.129 -9.207 1.691 1.00 0.00 C ATOM 1207 O ASP A 77 -0.903 -8.385 0.799 1.00 0.00 O ATOM 1208 CB ASP A 77 0.816 -9.401 3.313 1.00 0.00 C ATOM 1209 CG ASP A 77 1.717 -10.348 4.086 1.00 0.00 C ATOM 1210 OD1 ASP A 77 1.822 -11.545 3.736 1.00 0.00 O ATOM 1211 OD2 ASP A 77 2.329 -9.892 5.085 1.00 0.00 O ATOM 0 H ASP A 77 1.663 -10.262 1.055 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.589 -10.959 2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.427 -8.647 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.163 -8.875 4.010 1.00 0.00 H new ATOM 1216 N THR A 78 -2.368 -9.333 2.216 1.00 0.00 N ATOM 1217 CA THR A 78 -3.514 -8.497 1.867 1.00 0.00 C ATOM 1218 C THR A 78 -3.573 -7.195 2.646 1.00 0.00 C ATOM 1219 O THR A 78 -3.746 -7.190 3.864 1.00 0.00 O ATOM 1220 CB THR A 78 -4.867 -9.163 2.128 1.00 0.00 C ATOM 1221 OG1 THR A 78 -4.918 -9.724 3.435 1.00 0.00 O ATOM 1222 CG2 THR A 78 -5.107 -10.298 1.125 1.00 0.00 C ATOM 0 H THR A 78 -2.594 -10.043 2.913 1.00 0.00 H new ATOM 0 HA THR A 78 -3.354 -8.324 0.803 1.00 0.00 H new ATOM 0 HB THR A 78 -5.630 -8.392 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.513 -9.101 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.073 -10.761 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.099 -9.896 0.112 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.319 -11.045 1.225 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.512 -6.045 1.951 1.00 0.00 N ATOM 1231 CA ILE A 79 -3.895 -4.765 2.529 1.00 0.00 C ATOM 1232 C ILE A 79 -5.326 -4.440 2.115 1.00 0.00 C ATOM 1233 O ILE A 79 -5.726 -4.676 0.972 1.00 0.00 O ATOM 1234 CB ILE A 79 -2.895 -3.650 2.187 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.088 -2.421 3.109 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -2.940 -3.284 0.687 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -1.964 -1.385 2.999 1.00 0.00 C ATOM 0 H ILE A 79 -3.198 -5.987 0.982 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.865 -4.838 3.616 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.891 -4.030 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.037 -1.942 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.157 -2.761 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.219 -2.492 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.692 -4.162 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.941 -2.939 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.168 -0.554 3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.015 -1.848 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.908 -1.016 1.975 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.160 -3.909 3.038 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.518 -3.502 2.702 1.00 0.00 C ATOM 1251 C GLU A 80 -7.554 -2.010 2.448 1.00 0.00 C ATOM 1252 O GLU A 80 -6.784 -1.239 3.025 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.581 -3.934 3.750 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.513 -3.232 5.131 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.613 -2.208 5.367 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -9.464 -1.023 4.991 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.612 -2.558 6.051 1.00 0.00 O ATOM 0 H GLU A 80 -5.905 -3.758 4.014 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.795 -4.031 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.570 -3.759 3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.488 -5.008 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.564 -3.989 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.546 -2.738 5.227 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.406 -1.586 1.498 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.562 -0.197 1.116 1.00 0.00 C ATOM 1266 C VAL A 81 -10.029 0.191 1.198 1.00 0.00 C ATOM 1267 O VAL A 81 -10.866 -0.183 0.370 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.000 0.066 -0.278 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.272 1.516 -0.707 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.479 -0.183 -0.263 1.00 0.00 C ATOM 0 H VAL A 81 -9.009 -2.220 0.974 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.992 0.421 1.810 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.486 -0.605 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.863 1.683 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.347 1.696 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.799 2.199 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.070 0.003 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.008 0.488 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.282 -1.216 0.023 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.381 0.994 2.219 1.00 0.00 N ATOM 1281 CA TYR A 82 -11.720 1.481 2.459 1.00 0.00 C ATOM 1282 C TYR A 82 -11.991 2.748 1.642 1.00 0.00 C ATOM 1283 O TYR A 82 -11.659 3.872 2.028 1.00 0.00 O ATOM 1284 CB TYR A 82 -11.922 1.707 3.982 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.296 1.297 4.444 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -14.426 2.085 4.165 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -13.456 0.117 5.187 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -15.691 1.713 4.651 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -14.713 -0.249 5.687 1.00 0.00 C ATOM 1290 CZ TYR A 82 -15.829 0.550 5.420 1.00 0.00 C ATOM 1291 OH TYR A 82 -17.082 0.165 5.935 1.00 0.00 O ATOM 0 H TYR A 82 -9.708 1.323 2.912 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.445 0.737 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.172 1.141 4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.762 2.760 4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.321 2.982 3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.601 -0.516 5.375 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.555 2.323 4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.820 -1.147 6.278 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.985 -0.668 6.442 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.603 2.562 0.458 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.947 3.624 -0.473 1.00 0.00 C ATOM 1303 C GLN A 83 -14.229 4.352 -0.082 1.00 0.00 C ATOM 1304 O GLN A 83 -15.074 3.839 0.652 1.00 0.00 O ATOM 1305 CB GLN A 83 -13.126 3.045 -1.904 1.00 0.00 C ATOM 1306 CG GLN A 83 -11.862 2.387 -2.515 1.00 0.00 C ATOM 1307 CD GLN A 83 -10.803 3.422 -2.902 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -10.267 4.152 -2.067 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -10.474 3.503 -4.208 1.00 0.00 N ATOM 0 H GLN A 83 -12.875 1.637 0.124 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.125 4.339 -0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.926 2.305 -1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -13.453 3.848 -2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.437 1.685 -1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.144 1.811 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.927 2.891 -4.887 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.772 4.176 -4.516 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.410 5.591 -0.581 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.573 6.412 -0.281 1.00 0.00 C ATOM 1320 C GLN A 84 -16.122 7.083 -1.534 1.00 0.00 C ATOM 1321 O GLN A 84 -16.152 8.305 -1.647 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.228 7.462 0.810 1.00 0.00 C ATOM 1323 CG GLN A 84 -13.980 8.323 0.497 1.00 0.00 C ATOM 1324 CD GLN A 84 -13.727 9.343 1.600 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -14.560 10.191 1.922 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -12.528 9.276 2.211 1.00 0.00 N ATOM 0 H GLN A 84 -13.742 6.042 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.355 5.759 0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.085 8.122 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.070 6.946 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.108 7.678 0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.119 8.838 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.851 8.566 1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.297 9.935 2.955 1.00 0.00 H new ATOM 1335 N GLN A 85 -16.588 6.283 -2.514 1.00 0.00 N ATOM 1336 CA GLN A 85 -17.180 6.751 -3.760 1.00 0.00 C ATOM 1337 C GLN A 85 -16.219 7.417 -4.738 1.00 0.00 C ATOM 1338 O GLN A 85 -15.907 6.861 -5.792 1.00 0.00 O ATOM 1339 CB GLN A 85 -18.449 7.619 -3.525 1.00 0.00 C ATOM 1340 CG GLN A 85 -19.389 7.768 -4.745 1.00 0.00 C ATOM 1341 CD GLN A 85 -19.015 8.880 -5.722 1.00 0.00 C ATOM 1342 OE1 GLN A 85 -19.403 10.033 -5.535 1.00 0.00 O ATOM 1343 NE2 GLN A 85 -18.321 8.541 -6.826 1.00 0.00 N ATOM 0 H GLN A 85 -16.557 5.266 -2.448 1.00 0.00 H new ATOM 0 HA GLN A 85 -17.482 5.830 -4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -19.017 7.186 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.134 8.613 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -19.408 6.822 -5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -20.401 7.949 -4.384 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -18.011 7.578 -6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -18.106 9.247 -7.530 1.00 0.00 H new ATOM 1352 N THR A 86 -15.770 8.646 -4.424 1.00 0.00 N ATOM 1353 CA THR A 86 -15.100 9.570 -5.332 1.00 0.00 C ATOM 1354 C THR A 86 -13.682 9.150 -5.682 1.00 0.00 C ATOM 1355 O THR A 86 -12.718 9.492 -5.004 1.00 0.00 O ATOM 1356 CB THR A 86 -15.060 11.005 -4.793 1.00 0.00 C ATOM 1357 OG1 THR A 86 -16.340 11.419 -4.342 1.00 0.00 O ATOM 1358 CG2 THR A 86 -14.666 12.000 -5.894 1.00 0.00 C ATOM 0 H THR A 86 -15.873 9.031 -3.485 1.00 0.00 H new ATOM 0 HA THR A 86 -15.708 9.538 -6.236 1.00 0.00 H new ATOM 0 HB THR A 86 -14.333 11.001 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.286 12.337 -4.002 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.646 13.009 -5.482 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.678 11.745 -6.278 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.394 11.953 -6.704 1.00 0.00 H new ATOM 1366 N GLY A 87 -13.506 8.385 -6.779 1.00 0.00 N ATOM 1367 CA GLY A 87 -12.179 7.943 -7.204 1.00 0.00 C ATOM 1368 C GLY A 87 -12.147 7.476 -8.630 1.00 0.00 C ATOM 1369 O GLY A 87 -11.598 6.423 -8.941 1.00 0.00 O ATOM 0 H GLY A 87 -14.267 8.066 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.472 8.763 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.846 7.133 -6.554 1.00 0.00 H new ATOM 1373 N GLY A 88 -12.730 8.265 -9.546 1.00 0.00 N ATOM 1374 CA GLY A 88 -12.800 7.930 -10.957 1.00 0.00 C ATOM 1375 C GLY A 88 -13.799 8.853 -11.657 1.00 0.00 C ATOM 1376 O GLY A 88 -14.965 8.943 -11.193 1.00 0.00 O ATOM 1377 OXT GLY A 88 -13.429 9.490 -12.674 1.00 0.00 O ATOM 0 H GLY A 88 -13.166 9.158 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.815 8.031 -11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.103 6.890 -11.079 1.00 0.00 H new TER 1381 GLY A 88