USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 737 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 114 ASN : amide:sc= -1.58 K(o=-2.8,f=-4!) USER MOD Set 1.2: A 117 HIS : no HD1:sc= -1.24 K(o=-2.8,f=-1.3) USER MOD Set 2.1: A 49 THR OG1 : rot 150:sc= 0.45! USER MOD Set 2.2: A 59 TYR OH : rot 50:sc= 0.465 USER MOD Set 2.3: A 73 GLN : amide:sc= -8.08! C(o=-7.2!,f=-7.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -149:sc= -0.411 (180deg=-1.77!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.072 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.354 K(o=-0.35,f=-2.7!) USER MOD Single : A 30 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0073) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -5.01! K(o=-5!,f=-1.8) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.052) USER MOD Single : A 48 THR OG1 : rot -68:sc= 1.2 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.06 X(o=-1.1,f=-1) USER MOD Single : A 62 THR OG1 : rot 53:sc= 0.202 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.1!) USER MOD Single : A 69 THR OG1 : rot 178:sc= 0.0956 USER MOD Single : A 74 SER OG : rot 153:sc= -2.7 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -4.96! C(o=-5!,f=-7.8!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -5.11! K(o=-5.1!,f=-2.5) USER MOD Single : A 95 THR OG1 : rot -66:sc= 1.12 USER MOD Single : A 96 THR OG1 : rot -170:sc= 0.294 USER MOD Single : A 98 ASN : amide:sc= -0.828 X(o=-0.83,f=-1.1!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot -142:sc= -4.04 USER MOD Single : A 116 SER OG : rot 180:sc= 0.238 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 HIS : no HD1:sc= -0.487 X(o=-0.49,f=-0.22) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -60.225 2.994 -13.589 1.00 0.00 N ATOM 2 CA GLY A 15 -61.461 2.512 -12.997 1.00 0.00 C ATOM 3 C GLY A 15 -62.184 3.632 -12.246 1.00 0.00 C ATOM 4 O GLY A 15 -61.809 4.799 -12.355 1.00 0.00 O ATOM 0 HA2 GLY A 15 -62.111 2.114 -13.777 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -61.245 1.692 -12.313 1.00 0.00 H new ATOM 8 N SER A 16 -63.207 3.240 -11.502 1.00 0.00 N ATOM 9 CA SER A 16 -63.986 4.197 -10.734 1.00 0.00 C ATOM 10 C SER A 16 -64.672 5.188 -11.675 1.00 0.00 C ATOM 11 O SER A 16 -64.157 5.485 -12.752 1.00 0.00 O ATOM 12 CB SER A 16 -63.105 4.941 -9.728 1.00 0.00 C ATOM 13 OG SER A 16 -62.982 4.232 -8.499 1.00 0.00 O ATOM 0 H SER A 16 -63.515 2.272 -11.414 1.00 0.00 H new ATOM 0 HA SER A 16 -64.747 3.651 -10.176 1.00 0.00 H new ATOM 0 HB2 SER A 16 -62.115 5.096 -10.158 1.00 0.00 H new ATOM 0 HB3 SER A 16 -63.527 5.928 -9.537 1.00 0.00 H new ATOM 0 HG SER A 16 -62.411 4.739 -7.885 1.00 0.00 H new ATOM 18 N GLY A 17 -65.824 5.673 -11.235 1.00 0.00 N ATOM 19 CA GLY A 17 -66.586 6.624 -12.024 1.00 0.00 C ATOM 20 C GLY A 17 -66.304 8.059 -11.575 1.00 0.00 C ATOM 21 O GLY A 17 -65.384 8.701 -12.080 1.00 0.00 O ATOM 0 H GLY A 17 -66.248 5.424 -10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -66.333 6.513 -13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -67.651 6.412 -11.928 1.00 0.00 H new ATOM 25 N MET A 18 -67.112 8.520 -10.632 1.00 0.00 N ATOM 26 CA MET A 18 -66.961 9.867 -10.110 1.00 0.00 C ATOM 27 C MET A 18 -66.577 10.847 -11.221 1.00 0.00 C ATOM 28 O MET A 18 -65.415 11.235 -11.338 1.00 0.00 O ATOM 29 CB MET A 18 -65.882 9.877 -9.026 1.00 0.00 C ATOM 30 CG MET A 18 -66.346 9.115 -7.783 1.00 0.00 C ATOM 31 SD MET A 18 -67.011 10.255 -6.581 1.00 0.00 S ATOM 32 CE MET A 18 -65.549 11.215 -6.223 1.00 0.00 C ATOM 0 H MET A 18 -67.874 7.984 -10.216 1.00 0.00 H new ATOM 0 HA MET A 18 -67.916 10.181 -9.688 1.00 0.00 H new ATOM 0 HB2 MET A 18 -64.968 9.426 -9.413 1.00 0.00 H new ATOM 0 HB3 MET A 18 -65.641 10.906 -8.757 1.00 0.00 H new ATOM 0 HG2 MET A 18 -67.103 8.381 -8.058 1.00 0.00 H new ATOM 0 HG3 MET A 18 -65.510 8.564 -7.351 1.00 0.00 H new ATOM 0 HE1 MET A 18 -65.585 11.562 -5.190 1.00 0.00 H new ATOM 0 HE2 MET A 18 -64.663 10.596 -6.367 1.00 0.00 H new ATOM 0 HE3 MET A 18 -65.505 12.074 -6.893 1.00 0.00 H new ATOM 40 N LYS A 19 -67.575 11.219 -12.010 1.00 0.00 N ATOM 41 CA LYS A 19 -67.356 12.145 -13.108 1.00 0.00 C ATOM 42 C LYS A 19 -66.437 13.275 -12.640 1.00 0.00 C ATOM 43 O LYS A 19 -66.674 13.881 -11.596 1.00 0.00 O ATOM 44 CB LYS A 19 -68.691 12.632 -13.672 1.00 0.00 C ATOM 45 CG LYS A 19 -69.654 13.018 -12.546 1.00 0.00 C ATOM 46 CD LYS A 19 -70.975 12.256 -12.669 1.00 0.00 C ATOM 47 CE LYS A 19 -72.143 13.095 -12.146 1.00 0.00 C ATOM 48 NZ LYS A 19 -73.397 12.311 -12.174 1.00 0.00 N ATOM 0 H LYS A 19 -68.537 10.896 -11.910 1.00 0.00 H new ATOM 0 HA LYS A 19 -66.851 11.644 -13.934 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -68.524 13.490 -14.322 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -69.138 11.850 -14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -69.195 12.804 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -69.845 14.091 -12.577 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -71.151 11.992 -13.712 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -70.914 11.323 -12.110 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -71.935 13.424 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -72.255 13.993 -12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -74.180 12.895 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -73.602 12.019 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -73.292 11.467 -11.575 1.00 0.00 H new ATOM 58 N GLU A 20 -65.406 13.524 -13.435 1.00 0.00 N ATOM 59 CA GLU A 20 -64.451 14.571 -13.115 1.00 0.00 C ATOM 60 C GLU A 20 -65.040 15.944 -13.440 1.00 0.00 C ATOM 61 O GLU A 20 -65.816 16.085 -14.385 1.00 0.00 O ATOM 62 CB GLU A 20 -63.130 14.352 -13.856 1.00 0.00 C ATOM 63 CG GLU A 20 -62.160 13.523 -13.013 1.00 0.00 C ATOM 64 CD GLU A 20 -61.018 14.391 -12.479 1.00 0.00 C ATOM 65 OE1 GLU A 20 -60.112 14.697 -13.284 1.00 0.00 O ATOM 66 OE2 GLU A 20 -61.077 14.730 -11.277 1.00 0.00 O ATOM 0 H GLU A 20 -65.212 13.019 -14.299 1.00 0.00 H new ATOM 0 HA GLU A 20 -64.242 14.531 -12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -63.319 13.846 -14.802 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -62.679 15.315 -14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -62.695 13.067 -12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -61.753 12.710 -13.614 1.00 0.00 H new ATOM 71 N THR A 21 -64.650 16.925 -12.639 1.00 0.00 N ATOM 72 CA THR A 21 -65.131 18.284 -12.828 1.00 0.00 C ATOM 73 C THR A 21 -64.000 19.183 -13.331 1.00 0.00 C ATOM 74 O THR A 21 -64.196 19.981 -14.247 1.00 0.00 O ATOM 75 CB THR A 21 -65.743 18.757 -11.510 1.00 0.00 C ATOM 76 OG1 THR A 21 -64.680 18.635 -10.569 1.00 0.00 O ATOM 77 CG2 THR A 21 -66.817 17.801 -10.986 1.00 0.00 C ATOM 0 H THR A 21 -64.006 16.806 -11.857 1.00 0.00 H new ATOM 0 HA THR A 21 -65.905 18.327 -13.595 1.00 0.00 H new ATOM 0 HB THR A 21 -66.175 19.748 -11.646 1.00 0.00 H new ATOM 0 HG1 THR A 21 -64.991 18.923 -9.685 1.00 0.00 H new ATOM 0 HG21 THR A 21 -67.219 18.184 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 21 -67.620 17.719 -11.718 1.00 0.00 H new ATOM 0 HG23 THR A 21 -66.378 16.818 -10.818 1.00 0.00 H new ATOM 85 N ALA A 22 -62.840 19.026 -12.709 1.00 0.00 N ATOM 86 CA ALA A 22 -61.678 19.815 -13.082 1.00 0.00 C ATOM 87 C ALA A 22 -60.410 19.098 -12.615 1.00 0.00 C ATOM 88 O ALA A 22 -59.596 18.672 -13.432 1.00 0.00 O ATOM 89 CB ALA A 22 -61.804 21.221 -12.492 1.00 0.00 C ATOM 0 H ALA A 22 -62.680 18.364 -11.949 1.00 0.00 H new ATOM 0 HA ALA A 22 -61.617 19.921 -14.165 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -60.932 21.813 -12.772 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -62.705 21.698 -12.877 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -61.864 21.156 -11.406 1.00 0.00 H new ATOM 95 N ALA A 23 -60.281 18.986 -11.300 1.00 0.00 N ATOM 96 CA ALA A 23 -59.126 18.328 -10.714 1.00 0.00 C ATOM 97 C ALA A 23 -57.886 19.198 -10.929 1.00 0.00 C ATOM 98 O ALA A 23 -57.909 20.133 -11.729 1.00 0.00 O ATOM 99 CB ALA A 23 -58.971 16.933 -11.321 1.00 0.00 C ATOM 0 H ALA A 23 -60.958 19.340 -10.624 1.00 0.00 H new ATOM 0 HA ALA A 23 -59.259 18.203 -9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -58.104 16.439 -10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -59.866 16.346 -11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -58.832 17.019 -12.399 1.00 0.00 H new ATOM 105 N ALA A 24 -56.832 18.861 -10.200 1.00 0.00 N ATOM 106 CA ALA A 24 -55.585 19.599 -10.301 1.00 0.00 C ATOM 107 C ALA A 24 -54.411 18.624 -10.201 1.00 0.00 C ATOM 108 O ALA A 24 -54.608 17.428 -9.996 1.00 0.00 O ATOM 109 CB ALA A 24 -55.542 20.677 -9.215 1.00 0.00 C ATOM 0 H ALA A 24 -56.816 18.086 -9.537 1.00 0.00 H new ATOM 0 HA ALA A 24 -55.513 20.103 -11.265 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -54.607 21.232 -9.290 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -56.381 21.361 -9.347 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -55.608 20.208 -8.234 1.00 0.00 H new ATOM 115 N LYS A 25 -53.214 19.172 -10.352 1.00 0.00 N ATOM 116 CA LYS A 25 -52.007 18.365 -10.282 1.00 0.00 C ATOM 117 C LYS A 25 -50.869 19.207 -9.700 1.00 0.00 C ATOM 118 O LYS A 25 -50.689 20.363 -10.082 1.00 0.00 O ATOM 119 CB LYS A 25 -51.687 17.760 -11.650 1.00 0.00 C ATOM 120 CG LYS A 25 -51.323 18.850 -12.660 1.00 0.00 C ATOM 121 CD LYS A 25 -49.806 18.973 -12.810 1.00 0.00 C ATOM 122 CE LYS A 25 -49.436 20.189 -13.664 1.00 0.00 C ATOM 123 NZ LYS A 25 -48.813 19.759 -14.935 1.00 0.00 N ATOM 0 H LYS A 25 -53.054 20.165 -10.523 1.00 0.00 H new ATOM 0 HA LYS A 25 -52.153 17.518 -9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -50.860 17.056 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -52.547 17.196 -12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -51.770 18.619 -13.627 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -51.739 19.804 -12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -49.346 19.062 -11.826 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -49.408 18.068 -13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -50.328 20.780 -13.871 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -48.748 20.831 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -48.568 20.596 -15.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -47.951 19.214 -14.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -49.481 19.165 -15.466 1.00 0.00 H new ATOM 133 N PHE A 26 -50.131 18.595 -8.785 1.00 0.00 N ATOM 134 CA PHE A 26 -49.016 19.273 -8.148 1.00 0.00 C ATOM 135 C PHE A 26 -48.276 18.334 -7.192 1.00 0.00 C ATOM 136 O PHE A 26 -48.774 17.257 -6.866 1.00 0.00 O ATOM 137 CB PHE A 26 -49.600 20.439 -7.347 1.00 0.00 C ATOM 138 CG PHE A 26 -50.337 20.014 -6.077 1.00 0.00 C ATOM 139 CD1 PHE A 26 -51.575 19.456 -6.163 1.00 0.00 C ATOM 140 CD2 PHE A 26 -49.756 20.194 -4.860 1.00 0.00 C ATOM 141 CE1 PHE A 26 -52.259 19.060 -4.983 1.00 0.00 C ATOM 142 CE2 PHE A 26 -50.441 19.799 -3.680 1.00 0.00 C ATOM 143 CZ PHE A 26 -51.678 19.241 -3.767 1.00 0.00 C ATOM 0 H PHE A 26 -50.284 17.637 -8.470 1.00 0.00 H new ATOM 0 HA PHE A 26 -48.307 19.612 -8.903 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -48.793 21.120 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -50.287 20.996 -7.984 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -52.038 19.314 -7.129 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -48.774 20.637 -4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -53.241 18.615 -5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -49.980 19.942 -2.714 1.00 0.00 H new ATOM 0 HZ PHE A 26 -52.199 18.941 -2.870 1.00 0.00 H new ATOM 152 N GLU A 27 -47.100 18.776 -6.771 1.00 0.00 N ATOM 153 CA GLU A 27 -46.288 17.989 -5.860 1.00 0.00 C ATOM 154 C GLU A 27 -45.494 16.934 -6.633 1.00 0.00 C ATOM 155 O GLU A 27 -45.700 16.752 -7.832 1.00 0.00 O ATOM 156 CB GLU A 27 -47.152 17.340 -4.776 1.00 0.00 C ATOM 157 CG GLU A 27 -46.466 17.413 -3.410 1.00 0.00 C ATOM 158 CD GLU A 27 -46.949 18.631 -2.621 1.00 0.00 C ATOM 159 OE1 GLU A 27 -48.176 18.712 -2.396 1.00 0.00 O ATOM 160 OE2 GLU A 27 -46.079 19.454 -2.260 1.00 0.00 O ATOM 0 H GLU A 27 -46.690 19.669 -7.044 1.00 0.00 H new ATOM 0 HA GLU A 27 -45.582 18.656 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -48.119 17.841 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -47.345 16.299 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -46.673 16.504 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -45.386 17.466 -3.544 1.00 0.00 H new ATOM 165 N ARG A 28 -44.601 16.268 -5.915 1.00 0.00 N ATOM 166 CA ARG A 28 -43.775 15.237 -6.519 1.00 0.00 C ATOM 167 C ARG A 28 -42.840 15.849 -7.563 1.00 0.00 C ATOM 168 O ARG A 28 -43.169 15.893 -8.748 1.00 0.00 O ATOM 169 CB ARG A 28 -44.635 14.160 -7.184 1.00 0.00 C ATOM 170 CG ARG A 28 -43.914 12.811 -7.194 1.00 0.00 C ATOM 171 CD ARG A 28 -43.411 12.470 -8.599 1.00 0.00 C ATOM 172 NE ARG A 28 -44.551 12.117 -9.474 1.00 0.00 N ATOM 173 CZ ARG A 28 -45.203 10.947 -9.422 1.00 0.00 C ATOM 174 NH1 ARG A 28 -44.831 10.011 -8.538 1.00 0.00 N ATOM 175 NH2 ARG A 28 -46.227 10.713 -10.254 1.00 0.00 N ATOM 0 H ARG A 28 -44.432 16.423 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 28 -43.187 14.777 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -45.582 14.066 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -44.871 14.458 -8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -43.074 12.838 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -44.590 12.030 -6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -42.871 13.320 -9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -42.708 11.638 -8.550 1.00 0.00 H new ATOM 0 HE ARG A 28 -44.860 12.807 -10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -44.052 10.189 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -45.327 9.121 -8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -46.510 11.425 -10.927 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -46.723 9.823 -10.214 1.00 0.00 H new ATOM 186 N GLN A 29 -41.691 16.308 -7.086 1.00 0.00 N ATOM 187 CA GLN A 29 -40.706 16.916 -7.964 1.00 0.00 C ATOM 188 C GLN A 29 -39.476 16.016 -8.087 1.00 0.00 C ATOM 189 O GLN A 29 -39.080 15.647 -9.192 1.00 0.00 O ATOM 190 CB GLN A 29 -40.317 18.310 -7.468 1.00 0.00 C ATOM 191 CG GLN A 29 -39.314 18.970 -8.416 1.00 0.00 C ATOM 192 CD GLN A 29 -37.961 19.170 -7.730 1.00 0.00 C ATOM 193 OE1 GLN A 29 -37.702 18.665 -6.650 1.00 0.00 O ATOM 194 NE2 GLN A 29 -37.114 19.932 -8.416 1.00 0.00 N ATOM 0 H GLN A 29 -41.421 16.271 -6.103 1.00 0.00 H new ATOM 0 HA GLN A 29 -41.150 17.028 -8.953 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -41.208 18.932 -7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -39.885 18.237 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -39.187 18.352 -9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -39.702 19.932 -8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -37.394 20.324 -9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -36.184 20.124 -8.043 1.00 0.00 H new ATOM 201 N HIS A 30 -38.905 15.686 -6.937 1.00 0.00 N ATOM 202 CA HIS A 30 -37.729 14.835 -6.902 1.00 0.00 C ATOM 203 C HIS A 30 -37.266 14.658 -5.455 1.00 0.00 C ATOM 204 O HIS A 30 -37.437 15.555 -4.631 1.00 0.00 O ATOM 205 CB HIS A 30 -36.631 15.388 -7.812 1.00 0.00 C ATOM 206 CG HIS A 30 -36.059 14.372 -8.772 1.00 0.00 C ATOM 207 ND1 HIS A 30 -35.716 14.682 -10.077 1.00 0.00 N ATOM 208 CD2 HIS A 30 -35.772 13.049 -8.602 1.00 0.00 C ATOM 209 CE1 HIS A 30 -35.246 13.588 -10.657 1.00 0.00 C ATOM 210 NE2 HIS A 30 -35.282 12.577 -9.743 1.00 0.00 N ATOM 0 H HIS A 30 -39.236 15.993 -6.022 1.00 0.00 H new ATOM 0 HA HIS A 30 -37.979 13.848 -7.290 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -37.033 16.225 -8.382 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -35.825 15.782 -7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -35.918 12.482 -7.694 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -34.896 13.510 -11.676 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -34.982 11.616 -9.908 1.00 0.00 H new ATOM 217 N MET A 31 -36.688 13.497 -5.189 1.00 0.00 N ATOM 218 CA MET A 31 -36.199 13.191 -3.855 1.00 0.00 C ATOM 219 C MET A 31 -35.222 12.013 -3.886 1.00 0.00 C ATOM 220 O MET A 31 -35.540 10.952 -4.421 1.00 0.00 O ATOM 221 CB MET A 31 -37.380 12.852 -2.943 1.00 0.00 C ATOM 222 CG MET A 31 -38.046 11.543 -3.374 1.00 0.00 C ATOM 223 SD MET A 31 -39.557 11.297 -2.456 1.00 0.00 S ATOM 224 CE MET A 31 -40.699 11.039 -3.803 1.00 0.00 C ATOM 0 H MET A 31 -36.547 12.755 -5.875 1.00 0.00 H new ATOM 0 HA MET A 31 -35.673 14.065 -3.472 1.00 0.00 H new ATOM 0 HB2 MET A 31 -37.036 12.767 -1.912 1.00 0.00 H new ATOM 0 HB3 MET A 31 -38.109 13.662 -2.970 1.00 0.00 H new ATOM 0 HG2 MET A 31 -38.260 11.569 -4.443 1.00 0.00 H new ATOM 0 HG3 MET A 31 -37.367 10.707 -3.205 1.00 0.00 H new ATOM 0 HE1 MET A 31 -41.699 10.869 -3.405 1.00 0.00 H new ATOM 0 HE2 MET A 31 -40.709 11.920 -4.445 1.00 0.00 H new ATOM 0 HE3 MET A 31 -40.387 10.171 -4.383 1.00 0.00 H new ATOM 232 N ASP A 32 -34.053 12.241 -3.305 1.00 0.00 N ATOM 233 CA ASP A 32 -33.027 11.212 -3.259 1.00 0.00 C ATOM 234 C ASP A 32 -31.899 11.664 -2.330 1.00 0.00 C ATOM 235 O ASP A 32 -31.833 12.833 -1.951 1.00 0.00 O ATOM 236 CB ASP A 32 -32.430 10.968 -4.645 1.00 0.00 C ATOM 237 CG ASP A 32 -31.677 9.645 -4.802 1.00 0.00 C ATOM 238 OD1 ASP A 32 -32.272 8.608 -4.438 1.00 0.00 O ATOM 239 OD2 ASP A 32 -30.524 9.700 -5.281 1.00 0.00 O ATOM 0 H ASP A 32 -33.793 13.123 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 32 -33.487 10.292 -2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -33.233 11.001 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -31.749 11.786 -4.880 1.00 0.00 H new ATOM 243 N SER A 33 -31.039 10.715 -1.990 1.00 0.00 N ATOM 244 CA SER A 33 -29.917 11.001 -1.113 1.00 0.00 C ATOM 245 C SER A 33 -28.653 10.323 -1.644 1.00 0.00 C ATOM 246 O SER A 33 -28.733 9.350 -2.391 1.00 0.00 O ATOM 247 CB SER A 33 -30.205 10.542 0.317 1.00 0.00 C ATOM 248 OG SER A 33 -30.802 11.573 1.099 1.00 0.00 O ATOM 0 H SER A 33 -31.097 9.747 -2.306 1.00 0.00 H new ATOM 0 HA SER A 33 -29.763 12.080 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 33 -30.866 9.676 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 33 -29.276 10.221 0.789 1.00 0.00 H new ATOM 0 HG SER A 33 -30.972 11.240 2.005 1.00 0.00 H new ATOM 253 N PRO A 34 -27.483 10.878 -1.225 1.00 0.00 N ATOM 254 CA PRO A 34 -26.204 10.337 -1.650 1.00 0.00 C ATOM 255 C PRO A 34 -25.888 9.034 -0.914 1.00 0.00 C ATOM 256 O PRO A 34 -26.779 8.407 -0.343 1.00 0.00 O ATOM 257 CB PRO A 34 -25.197 11.440 -1.364 1.00 0.00 C ATOM 258 CG PRO A 34 -25.869 12.371 -0.369 1.00 0.00 C ATOM 259 CD PRO A 34 -27.350 12.031 -0.340 1.00 0.00 C ATOM 0 HA PRO A 34 -26.191 10.067 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -24.275 11.030 -0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -24.930 11.972 -2.277 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -25.430 12.252 0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -25.722 13.411 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -27.682 11.795 0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -27.955 12.868 -0.687 1.00 0.00 H new ATOM 264 N ASP A 35 -24.616 8.664 -0.950 1.00 0.00 N ATOM 265 CA ASP A 35 -24.171 7.447 -0.293 1.00 0.00 C ATOM 266 C ASP A 35 -23.008 7.775 0.646 1.00 0.00 C ATOM 267 O ASP A 35 -22.100 8.521 0.279 1.00 0.00 O ATOM 268 CB ASP A 35 -23.679 6.419 -1.313 1.00 0.00 C ATOM 269 CG ASP A 35 -22.881 6.999 -2.482 1.00 0.00 C ATOM 270 OD1 ASP A 35 -21.648 7.122 -2.322 1.00 0.00 O ATOM 271 OD2 ASP A 35 -23.522 7.306 -3.510 1.00 0.00 O ATOM 0 H ASP A 35 -23.879 9.186 -1.424 1.00 0.00 H new ATOM 0 HA ASP A 35 -25.016 7.033 0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -23.059 5.686 -0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -24.541 5.883 -1.711 1.00 0.00 H new ATOM 275 N LEU A 36 -23.073 7.202 1.839 1.00 0.00 N ATOM 276 CA LEU A 36 -22.037 7.424 2.833 1.00 0.00 C ATOM 277 C LEU A 36 -20.736 6.769 2.362 1.00 0.00 C ATOM 278 O LEU A 36 -19.786 7.460 1.996 1.00 0.00 O ATOM 279 CB LEU A 36 -22.503 6.946 4.209 1.00 0.00 C ATOM 280 CG LEU A 36 -23.555 7.815 4.900 1.00 0.00 C ATOM 281 CD1 LEU A 36 -24.436 6.976 5.828 1.00 0.00 C ATOM 282 CD2 LEU A 36 -22.902 8.987 5.636 1.00 0.00 C ATOM 0 H LEU A 36 -23.827 6.584 2.139 1.00 0.00 H new ATOM 0 HA LEU A 36 -21.837 8.490 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -22.905 5.938 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -21.633 6.876 4.861 1.00 0.00 H new ATOM 0 HG LEU A 36 -24.205 8.238 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -25.175 7.618 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -24.945 6.206 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -23.816 6.505 6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -23.673 9.589 6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -22.214 8.605 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -22.353 9.603 4.924 1.00 0.00 H new ATOM 293 N GLY A 37 -20.735 5.444 2.389 1.00 0.00 N ATOM 294 CA GLY A 37 -19.567 4.689 1.970 1.00 0.00 C ATOM 295 C GLY A 37 -18.297 5.234 2.627 1.00 0.00 C ATOM 296 O GLY A 37 -17.661 6.144 2.096 1.00 0.00 O ATOM 0 H GLY A 37 -21.524 4.875 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.695 3.639 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.469 4.736 0.885 1.00 0.00 H new ATOM 300 N THR A 38 -17.964 4.654 3.770 1.00 0.00 N ATOM 301 CA THR A 38 -16.782 5.070 4.504 1.00 0.00 C ATOM 302 C THR A 38 -16.600 6.586 4.408 1.00 0.00 C ATOM 303 O THR A 38 -17.565 7.318 4.191 1.00 0.00 O ATOM 304 CB THR A 38 -15.588 4.280 3.965 1.00 0.00 C ATOM 305 OG1 THR A 38 -15.464 4.715 2.614 1.00 0.00 O ATOM 306 CG2 THR A 38 -15.882 2.782 3.848 1.00 0.00 C ATOM 0 H THR A 38 -18.493 3.899 4.206 1.00 0.00 H new ATOM 0 HA THR A 38 -16.881 4.853 5.568 1.00 0.00 H new ATOM 0 HB THR A 38 -14.728 4.432 4.618 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.711 4.253 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.002 2.268 3.461 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.133 2.383 4.831 1.00 0.00 H new ATOM 0 HG23 THR A 38 -16.721 2.628 3.169 1.00 0.00 H new ATOM 314 N THR A 39 -15.356 7.012 4.573 1.00 0.00 N ATOM 315 CA THR A 39 -15.036 8.428 4.507 1.00 0.00 C ATOM 316 C THR A 39 -14.923 8.882 3.050 1.00 0.00 C ATOM 317 O THR A 39 -13.840 9.231 2.586 1.00 0.00 O ATOM 318 CB THR A 39 -13.758 8.662 5.316 1.00 0.00 C ATOM 319 OG1 THR A 39 -14.222 8.857 6.649 1.00 0.00 O ATOM 320 CG2 THR A 39 -13.074 9.983 4.962 1.00 0.00 C ATOM 0 H THR A 39 -14.558 6.402 4.752 1.00 0.00 H new ATOM 0 HA THR A 39 -15.830 9.033 4.943 1.00 0.00 H new ATOM 0 HB THR A 39 -13.065 7.838 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.458 9.014 7.242 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.173 10.099 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.806 9.982 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.754 10.810 5.163 1.00 0.00 H new ATOM 328 N LEU A 40 -16.059 8.863 2.369 1.00 0.00 N ATOM 329 CA LEU A 40 -16.103 9.269 0.974 1.00 0.00 C ATOM 330 C LEU A 40 -15.152 8.387 0.162 1.00 0.00 C ATOM 331 O LEU A 40 -14.960 7.215 0.482 1.00 0.00 O ATOM 332 CB LEU A 40 -15.818 10.766 0.843 1.00 0.00 C ATOM 333 CG LEU A 40 -16.281 11.642 2.008 1.00 0.00 C ATOM 334 CD1 LEU A 40 -16.118 13.126 1.677 1.00 0.00 C ATOM 335 CD2 LEU A 40 -17.716 11.299 2.414 1.00 0.00 C ATOM 0 H LEU A 40 -16.957 8.573 2.757 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.102 9.122 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.744 10.901 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -16.294 11.128 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.644 11.433 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.455 13.726 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -15.069 13.340 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.714 13.370 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -18.021 11.936 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -18.383 11.462 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.768 10.254 2.720 1.00 0.00 H new ATOM 346 N LEU A 41 -14.581 8.985 -0.873 1.00 0.00 N ATOM 347 CA LEU A 41 -13.654 8.271 -1.734 1.00 0.00 C ATOM 348 C LEU A 41 -12.223 8.701 -1.405 1.00 0.00 C ATOM 349 O LEU A 41 -11.351 8.681 -2.271 1.00 0.00 O ATOM 350 CB LEU A 41 -14.031 8.462 -3.204 1.00 0.00 C ATOM 351 CG LEU A 41 -13.842 9.873 -3.766 1.00 0.00 C ATOM 352 CD1 LEU A 41 -12.592 9.947 -4.647 1.00 0.00 C ATOM 353 CD2 LEU A 41 -15.094 10.340 -4.510 1.00 0.00 C ATOM 0 H LEU A 41 -14.743 9.957 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.715 7.198 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -13.438 7.771 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.076 8.179 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.691 10.556 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.479 10.960 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.714 9.685 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.691 9.249 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.932 11.345 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.301 9.660 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.942 10.348 -3.826 1.00 0.00 H new ATOM 364 N GLU A 42 -12.027 9.079 -0.150 1.00 0.00 N ATOM 365 CA GLU A 42 -10.717 9.513 0.303 1.00 0.00 C ATOM 366 C GLU A 42 -10.102 10.488 -0.703 1.00 0.00 C ATOM 367 O GLU A 42 -9.035 10.224 -1.256 1.00 0.00 O ATOM 368 CB GLU A 42 -9.795 8.316 0.542 1.00 0.00 C ATOM 369 CG GLU A 42 -9.794 7.909 2.017 1.00 0.00 C ATOM 370 CD GLU A 42 -10.922 6.919 2.312 1.00 0.00 C ATOM 371 OE1 GLU A 42 -11.106 6.004 1.480 1.00 0.00 O ATOM 372 OE2 GLU A 42 -11.575 7.097 3.363 1.00 0.00 O ATOM 0 H GLU A 42 -12.753 9.094 0.566 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.837 10.032 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.119 7.475 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.781 8.566 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.835 7.460 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.909 8.794 2.643 1.00 0.00 H new ATOM 377 N GLN A 43 -10.802 11.594 -0.911 1.00 0.00 N ATOM 378 CA GLN A 43 -10.338 12.609 -1.842 1.00 0.00 C ATOM 379 C GLN A 43 -8.819 12.765 -1.743 1.00 0.00 C ATOM 380 O GLN A 43 -8.319 13.462 -0.863 1.00 0.00 O ATOM 381 CB GLN A 43 -11.043 13.944 -1.595 1.00 0.00 C ATOM 382 CG GLN A 43 -11.023 14.307 -0.109 1.00 0.00 C ATOM 383 CD GLN A 43 -12.285 13.807 0.596 1.00 0.00 C ATOM 384 OE1 GLN A 43 -12.251 12.914 1.426 1.00 0.00 O ATOM 385 NE2 GLN A 43 -13.397 14.432 0.220 1.00 0.00 N ATOM 0 H GLN A 43 -11.687 11.809 -0.451 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.586 12.287 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.555 14.730 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.074 13.885 -1.945 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.142 13.872 0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.944 15.388 0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.354 15.172 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.293 14.172 0.633 1.00 0.00 H new ATOM 392 N TYR A 44 -8.127 12.104 -2.661 1.00 0.00 N ATOM 393 CA TYR A 44 -6.676 12.160 -2.688 1.00 0.00 C ATOM 394 C TYR A 44 -6.116 11.307 -3.829 1.00 0.00 C ATOM 395 O TYR A 44 -6.644 10.237 -4.124 1.00 0.00 O ATOM 396 CB TYR A 44 -6.206 11.579 -1.354 1.00 0.00 C ATOM 397 CG TYR A 44 -5.052 12.352 -0.711 1.00 0.00 C ATOM 398 CD1 TYR A 44 -5.271 13.609 -0.185 1.00 0.00 C ATOM 399 CD2 TYR A 44 -3.792 11.791 -0.656 1.00 0.00 C ATOM 400 CE1 TYR A 44 -4.186 14.336 0.420 1.00 0.00 C ATOM 401 CE2 TYR A 44 -2.706 12.518 -0.051 1.00 0.00 C ATOM 402 CZ TYR A 44 -2.956 13.754 0.458 1.00 0.00 C ATOM 403 OH TYR A 44 -1.931 14.440 1.029 1.00 0.00 O ATOM 0 H TYR A 44 -8.545 11.527 -3.391 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.334 13.184 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.047 11.559 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.896 10.545 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.257 14.047 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.621 10.807 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.344 15.321 0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.715 12.091 -0.003 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.113 13.902 0.986 1.00 0.00 H new ATOM 412 N CYS A 45 -5.053 11.813 -4.437 1.00 0.00 N ATOM 413 CA CYS A 45 -4.415 11.112 -5.537 1.00 0.00 C ATOM 414 C CYS A 45 -5.369 11.125 -6.733 1.00 0.00 C ATOM 415 O CYS A 45 -6.334 10.361 -6.770 1.00 0.00 O ATOM 416 CB CYS A 45 -4.013 9.689 -5.143 1.00 0.00 C ATOM 417 SG CYS A 45 -3.707 9.446 -3.356 1.00 0.00 S ATOM 0 H CYS A 45 -4.618 12.701 -4.188 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.489 11.620 -5.807 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.799 9.004 -5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.112 9.416 -5.692 1.00 0.00 H new ATOM 421 N HIS A 46 -5.068 12.000 -7.681 1.00 0.00 N ATOM 422 CA HIS A 46 -5.888 12.122 -8.874 1.00 0.00 C ATOM 423 C HIS A 46 -5.717 10.875 -9.744 1.00 0.00 C ATOM 424 O HIS A 46 -4.654 10.256 -9.746 1.00 0.00 O ATOM 425 CB HIS A 46 -5.566 13.416 -9.624 1.00 0.00 C ATOM 426 CG HIS A 46 -6.720 13.963 -10.430 1.00 0.00 C ATOM 427 ND1 HIS A 46 -6.591 15.042 -11.287 1.00 0.00 N ATOM 428 CD2 HIS A 46 -8.023 13.567 -10.501 1.00 0.00 C ATOM 429 CE1 HIS A 46 -7.771 15.277 -11.843 1.00 0.00 C ATOM 430 NE2 HIS A 46 -8.657 14.363 -11.354 1.00 0.00 N ATOM 0 H HIS A 46 -4.268 12.631 -7.647 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.939 12.185 -8.592 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.248 14.171 -8.905 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.723 13.237 -10.291 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.464 12.746 -9.956 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.992 16.056 -12.558 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.644 14.301 -11.603 1.00 0.00 H new ATOM 437 N ARG A 47 -6.780 10.543 -10.462 1.00 0.00 N ATOM 438 CA ARG A 47 -6.761 9.381 -11.334 1.00 0.00 C ATOM 439 C ARG A 47 -6.549 9.811 -12.787 1.00 0.00 C ATOM 440 O ARG A 47 -5.970 9.069 -13.579 1.00 0.00 O ATOM 441 CB ARG A 47 -8.068 8.591 -11.228 1.00 0.00 C ATOM 442 CG ARG A 47 -9.278 9.528 -11.253 1.00 0.00 C ATOM 443 CD ARG A 47 -9.696 9.921 -9.835 1.00 0.00 C ATOM 444 NE ARG A 47 -11.011 9.322 -9.511 1.00 0.00 N ATOM 445 CZ ARG A 47 -11.833 9.786 -8.561 1.00 0.00 C ATOM 446 NH1 ARG A 47 -11.482 10.856 -7.835 1.00 0.00 N ATOM 447 NH2 ARG A 47 -13.006 9.179 -8.337 1.00 0.00 N ATOM 0 H ARG A 47 -7.660 11.059 -10.458 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.937 8.742 -11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.136 7.881 -12.052 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.072 8.010 -10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.037 10.423 -11.826 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.111 9.039 -11.759 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.947 9.583 -9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.751 11.006 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.309 8.505 -10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.589 11.317 -8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.108 11.209 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.272 8.364 -8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.633 9.532 -7.614 1.00 0.00 H new ATOM 458 N THR A 48 -7.029 11.007 -13.092 1.00 0.00 N ATOM 459 CA THR A 48 -6.899 11.545 -14.437 1.00 0.00 C ATOM 460 C THR A 48 -7.253 10.478 -15.474 1.00 0.00 C ATOM 461 O THR A 48 -6.537 10.304 -16.459 1.00 0.00 O ATOM 462 CB THR A 48 -5.480 12.094 -14.590 1.00 0.00 C ATOM 463 OG1 THR A 48 -5.368 12.382 -15.981 1.00 0.00 O ATOM 464 CG2 THR A 48 -4.408 11.030 -14.342 1.00 0.00 C ATOM 0 H THR A 48 -7.508 11.619 -12.432 1.00 0.00 H new ATOM 0 HA THR A 48 -7.600 12.363 -14.606 1.00 0.00 H new ATOM 0 HB THR A 48 -5.335 12.922 -13.896 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.369 11.544 -16.490 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.420 11.474 -14.464 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.509 10.641 -13.329 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.531 10.216 -15.057 1.00 0.00 H new ATOM 472 N THR A 49 -8.356 9.792 -15.217 1.00 0.00 N ATOM 473 CA THR A 49 -8.814 8.746 -16.117 1.00 0.00 C ATOM 474 C THR A 49 -9.127 9.328 -17.496 1.00 0.00 C ATOM 475 O THR A 49 -8.593 10.373 -17.869 1.00 0.00 O ATOM 476 CB THR A 49 -10.011 8.051 -15.464 1.00 0.00 C ATOM 477 OG1 THR A 49 -10.301 6.964 -16.339 1.00 0.00 O ATOM 478 CG2 THR A 49 -11.278 8.908 -15.503 1.00 0.00 C ATOM 0 H THR A 49 -8.947 9.939 -14.399 1.00 0.00 H new ATOM 0 HA THR A 49 -8.037 7.999 -16.283 1.00 0.00 H new ATOM 0 HB THR A 49 -9.769 7.807 -14.430 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.687 6.224 -15.825 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.097 8.369 -15.027 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.101 9.843 -14.971 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.539 9.124 -16.539 1.00 0.00 H new ATOM 486 N ILE A 50 -9.990 8.628 -18.217 1.00 0.00 N ATOM 487 CA ILE A 50 -10.380 9.063 -19.547 1.00 0.00 C ATOM 488 C ILE A 50 -10.538 10.585 -19.556 1.00 0.00 C ATOM 489 O ILE A 50 -11.108 11.159 -18.629 1.00 0.00 O ATOM 490 CB ILE A 50 -11.631 8.313 -20.011 1.00 0.00 C ATOM 491 CG1 ILE A 50 -11.543 7.967 -21.499 1.00 0.00 C ATOM 492 CG2 ILE A 50 -12.898 9.103 -19.680 1.00 0.00 C ATOM 493 CD1 ILE A 50 -12.486 6.815 -21.851 1.00 0.00 C ATOM 0 H ILE A 50 -10.430 7.762 -17.905 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.602 8.818 -20.270 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.687 7.371 -19.465 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.796 8.844 -22.095 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.519 7.694 -21.752 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.772 8.548 -20.020 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.961 9.255 -18.602 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.865 10.070 -20.181 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.404 6.589 -22.914 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.215 5.933 -21.271 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.512 7.101 -21.619 1.00 0.00 H new ATOM 504 N GLY A 51 -10.022 11.195 -20.613 1.00 0.00 N ATOM 505 CA GLY A 51 -10.099 12.639 -20.754 1.00 0.00 C ATOM 506 C GLY A 51 -9.864 13.335 -19.411 1.00 0.00 C ATOM 507 O GLY A 51 -8.735 13.396 -18.929 1.00 0.00 O ATOM 0 H GLY A 51 -9.549 10.716 -21.379 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.357 12.977 -21.478 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.077 12.918 -21.146 1.00 0.00 H new ATOM 511 N ASN A 52 -10.950 13.841 -18.846 1.00 0.00 N ATOM 512 CA ASN A 52 -10.877 14.531 -17.569 1.00 0.00 C ATOM 513 C ASN A 52 -11.440 13.623 -16.473 1.00 0.00 C ATOM 514 O ASN A 52 -10.715 13.217 -15.566 1.00 0.00 O ATOM 515 CB ASN A 52 -11.704 15.817 -17.589 1.00 0.00 C ATOM 516 CG ASN A 52 -11.043 16.881 -18.468 1.00 0.00 C ATOM 517 OD1 ASN A 52 -10.270 17.707 -18.012 1.00 0.00 O ATOM 518 ND2 ASN A 52 -11.390 16.815 -19.750 1.00 0.00 N ATOM 0 H ASN A 52 -11.886 13.787 -19.249 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.833 14.778 -17.378 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.706 15.603 -17.962 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.816 16.197 -16.574 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.003 17.482 -20.418 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.043 16.098 -20.065 1.00 0.00 H new ATOM 524 N PHE A 53 -12.727 13.334 -16.591 1.00 0.00 N ATOM 525 CA PHE A 53 -13.395 12.482 -15.622 1.00 0.00 C ATOM 526 C PHE A 53 -14.727 11.966 -16.171 1.00 0.00 C ATOM 527 O PHE A 53 -15.473 12.712 -16.803 1.00 0.00 O ATOM 528 CB PHE A 53 -13.665 13.341 -14.385 1.00 0.00 C ATOM 529 CG PHE A 53 -13.858 14.828 -14.689 1.00 0.00 C ATOM 530 CD1 PHE A 53 -15.039 15.271 -15.195 1.00 0.00 C ATOM 531 CD2 PHE A 53 -12.847 15.706 -14.453 1.00 0.00 C ATOM 532 CE1 PHE A 53 -15.218 16.651 -15.478 1.00 0.00 C ATOM 533 CE2 PHE A 53 -13.025 17.087 -14.735 1.00 0.00 C ATOM 534 CZ PHE A 53 -14.207 17.530 -15.242 1.00 0.00 C ATOM 0 H PHE A 53 -13.326 13.675 -17.343 1.00 0.00 H new ATOM 0 HA PHE A 53 -12.770 11.619 -15.391 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -14.556 12.965 -13.882 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.834 13.228 -13.689 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.842 14.573 -15.382 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.909 15.354 -14.051 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.157 17.003 -15.880 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.222 17.785 -14.547 1.00 0.00 H new ATOM 0 HZ PHE A 53 -14.343 18.580 -15.457 1.00 0.00 H new ATOM 543 N SER A 54 -14.984 10.693 -15.910 1.00 0.00 N ATOM 544 CA SER A 54 -16.212 10.068 -16.370 1.00 0.00 C ATOM 545 C SER A 54 -16.252 8.604 -15.928 1.00 0.00 C ATOM 546 O SER A 54 -17.204 8.173 -15.279 1.00 0.00 O ATOM 547 CB SER A 54 -16.344 10.166 -17.891 1.00 0.00 C ATOM 548 OG SER A 54 -17.705 10.253 -18.304 1.00 0.00 O ATOM 0 H SER A 54 -14.363 10.077 -15.386 1.00 0.00 H new ATOM 0 HA SER A 54 -17.053 10.599 -15.924 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.801 11.041 -18.246 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.880 9.294 -18.352 1.00 0.00 H new ATOM 0 HG SER A 54 -17.747 10.316 -19.281 1.00 0.00 H new ATOM 553 N GLY A 55 -15.206 7.878 -16.297 1.00 0.00 N ATOM 554 CA GLY A 55 -15.109 6.472 -15.946 1.00 0.00 C ATOM 555 C GLY A 55 -16.121 5.639 -16.736 1.00 0.00 C ATOM 556 O GLY A 55 -17.290 5.557 -16.362 1.00 0.00 O ATOM 0 H GLY A 55 -14.418 8.238 -16.836 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.100 6.112 -16.147 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.285 6.347 -14.878 1.00 0.00 H new ATOM 560 N PRO A 56 -15.622 5.028 -17.844 1.00 0.00 N ATOM 561 CA PRO A 56 -16.470 4.205 -18.689 1.00 0.00 C ATOM 562 C PRO A 56 -16.756 2.854 -18.031 1.00 0.00 C ATOM 563 O PRO A 56 -17.901 2.550 -17.701 1.00 0.00 O ATOM 564 CB PRO A 56 -15.711 4.077 -20.001 1.00 0.00 C ATOM 565 CG PRO A 56 -14.269 4.438 -19.684 1.00 0.00 C ATOM 566 CD PRO A 56 -14.244 5.103 -18.318 1.00 0.00 C ATOM 0 HA PRO A 56 -17.454 4.645 -18.853 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.782 3.064 -20.396 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -16.124 4.744 -20.758 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.643 3.546 -19.686 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.868 5.110 -20.443 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.563 4.589 -17.640 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.905 6.137 -18.387 1.00 0.00 H new ATOM 571 N TYR A 57 -15.695 2.080 -17.856 1.00 0.00 N ATOM 572 CA TYR A 57 -15.818 0.769 -17.242 1.00 0.00 C ATOM 573 C TYR A 57 -15.429 0.818 -15.764 1.00 0.00 C ATOM 574 O TYR A 57 -15.068 1.874 -15.247 1.00 0.00 O ATOM 575 CB TYR A 57 -14.836 -0.139 -17.986 1.00 0.00 C ATOM 576 CG TYR A 57 -13.462 0.491 -18.222 1.00 0.00 C ATOM 577 CD1 TYR A 57 -12.574 0.621 -17.174 1.00 0.00 C ATOM 578 CD2 TYR A 57 -13.112 0.930 -19.482 1.00 0.00 C ATOM 579 CE1 TYR A 57 -11.280 1.214 -17.396 1.00 0.00 C ATOM 580 CE2 TYR A 57 -11.818 1.523 -19.704 1.00 0.00 C ATOM 581 CZ TYR A 57 -10.966 1.636 -18.649 1.00 0.00 C ATOM 582 OH TYR A 57 -9.745 2.196 -18.859 1.00 0.00 O ATOM 0 H TYR A 57 -14.746 2.336 -18.129 1.00 0.00 H new ATOM 0 HA TYR A 57 -16.846 0.411 -17.303 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -14.709 -1.061 -17.419 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -15.269 -0.413 -18.948 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -12.849 0.278 -16.187 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.808 0.829 -20.302 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.575 1.321 -16.585 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.531 1.870 -20.686 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.659 2.449 -19.802 1.00 0.00 H new ATOM 591 N THR A 58 -15.515 -0.339 -15.124 1.00 0.00 N ATOM 592 CA THR A 58 -15.177 -0.442 -13.714 1.00 0.00 C ATOM 593 C THR A 58 -13.739 -0.936 -13.545 1.00 0.00 C ATOM 594 O THR A 58 -13.456 -2.116 -13.747 1.00 0.00 O ATOM 595 CB THR A 58 -16.213 -1.347 -13.043 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.387 -0.543 -12.981 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.878 -1.634 -11.578 1.00 0.00 C ATOM 0 H THR A 58 -15.814 -1.213 -15.556 1.00 0.00 H new ATOM 0 HA THR A 58 -15.212 0.533 -13.227 1.00 0.00 H new ATOM 0 HB THR A 58 -16.283 -2.288 -13.590 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.111 -1.053 -12.561 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.644 -2.280 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.909 -2.130 -11.517 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.841 -0.697 -11.023 1.00 0.00 H new ATOM 605 N TYR A 59 -12.867 -0.008 -13.177 1.00 0.00 N ATOM 606 CA TYR A 59 -11.465 -0.335 -12.980 1.00 0.00 C ATOM 607 C TYR A 59 -11.018 0.009 -11.557 1.00 0.00 C ATOM 608 O TYR A 59 -11.757 0.644 -10.806 1.00 0.00 O ATOM 609 CB TYR A 59 -10.686 0.533 -13.970 1.00 0.00 C ATOM 610 CG TYR A 59 -11.029 2.022 -13.896 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.219 2.484 -14.421 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.149 2.904 -13.302 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.542 3.886 -14.352 1.00 0.00 C ATOM 614 CE2 TYR A 59 -10.471 4.306 -13.232 1.00 0.00 C ATOM 615 CZ TYR A 59 -11.651 4.727 -13.760 1.00 0.00 C ATOM 616 OH TYR A 59 -11.956 6.051 -13.694 1.00 0.00 O ATOM 0 H TYR A 59 -13.105 0.970 -13.010 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.294 -1.400 -13.134 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.619 0.407 -13.787 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.880 0.176 -14.981 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -12.909 1.794 -14.884 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.219 2.543 -12.890 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -13.469 4.261 -14.760 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.791 5.007 -12.771 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.860 6.161 -13.333 1.00 0.00 H new ATOM 625 N CYS A 60 -9.811 -0.426 -11.229 1.00 0.00 N ATOM 626 CA CYS A 60 -9.256 -0.172 -9.910 1.00 0.00 C ATOM 627 C CYS A 60 -9.620 1.256 -9.503 1.00 0.00 C ATOM 628 O CYS A 60 -9.695 2.147 -10.348 1.00 0.00 O ATOM 629 CB CYS A 60 -7.744 -0.407 -9.878 1.00 0.00 C ATOM 630 SG CYS A 60 -7.185 -1.929 -10.726 1.00 0.00 S ATOM 0 H CYS A 60 -9.201 -0.953 -11.854 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.682 -0.873 -9.192 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.248 0.449 -10.335 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.419 -0.447 -8.838 1.00 0.00 H new ATOM 634 N ASN A 61 -9.837 1.431 -8.207 1.00 0.00 N ATOM 635 CA ASN A 61 -10.191 2.736 -7.677 1.00 0.00 C ATOM 636 C ASN A 61 -9.045 3.258 -6.809 1.00 0.00 C ATOM 637 O ASN A 61 -8.100 2.527 -6.517 1.00 0.00 O ATOM 638 CB ASN A 61 -11.445 2.654 -6.805 1.00 0.00 C ATOM 639 CG ASN A 61 -12.101 4.029 -6.656 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.615 4.606 -7.601 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.055 4.519 -5.421 1.00 0.00 N ATOM 0 H ASN A 61 -9.774 0.690 -7.509 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.380 3.402 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.155 1.955 -7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.183 2.264 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.466 5.430 -5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.609 3.983 -4.676 1.00 0.00 H new ATOM 647 N THR A 62 -9.166 4.518 -6.418 1.00 0.00 N ATOM 648 CA THR A 62 -8.152 5.146 -5.589 1.00 0.00 C ATOM 649 C THR A 62 -8.451 4.906 -4.108 1.00 0.00 C ATOM 650 O THR A 62 -9.568 5.141 -3.650 1.00 0.00 O ATOM 651 CB THR A 62 -8.086 6.628 -5.963 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.078 7.158 -5.107 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.351 7.389 -5.564 1.00 0.00 C ATOM 0 H THR A 62 -9.952 5.121 -6.660 1.00 0.00 H new ATOM 0 HA THR A 62 -7.170 4.708 -5.766 1.00 0.00 H new ATOM 0 HB THR A 62 -7.928 6.724 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.263 6.620 -5.189 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.252 8.436 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.213 6.953 -6.070 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.491 7.321 -4.485 1.00 0.00 H new ATOM 661 N THR A 63 -7.433 4.441 -3.399 1.00 0.00 N ATOM 662 CA THR A 63 -7.573 4.166 -1.979 1.00 0.00 C ATOM 663 C THR A 63 -6.210 3.844 -1.362 1.00 0.00 C ATOM 664 O THR A 63 -5.278 3.465 -2.069 1.00 0.00 O ATOM 665 CB THR A 63 -8.596 3.042 -1.814 1.00 0.00 C ATOM 666 OG1 THR A 63 -9.337 3.414 -0.655 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.947 1.711 -1.428 1.00 0.00 C ATOM 0 H THR A 63 -6.507 4.248 -3.782 1.00 0.00 H new ATOM 0 HA THR A 63 -7.940 5.040 -1.441 1.00 0.00 H new ATOM 0 HB THR A 63 -9.152 2.919 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.025 2.739 -0.476 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.718 0.947 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.242 1.412 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.418 1.825 -0.482 1.00 0.00 H new ATOM 675 N LEU A 64 -6.138 4.007 -0.049 1.00 0.00 N ATOM 676 CA LEU A 64 -4.905 3.738 0.672 1.00 0.00 C ATOM 677 C LEU A 64 -4.999 2.364 1.340 1.00 0.00 C ATOM 678 O LEU A 64 -6.079 1.943 1.751 1.00 0.00 O ATOM 679 CB LEU A 64 -4.595 4.876 1.646 1.00 0.00 C ATOM 680 CG LEU A 64 -5.635 5.124 2.740 1.00 0.00 C ATOM 681 CD1 LEU A 64 -5.331 4.291 3.986 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.747 6.616 3.062 1.00 0.00 C ATOM 0 H LEU A 64 -6.913 4.322 0.534 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.061 3.701 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.637 4.669 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.473 5.795 1.073 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.606 4.801 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.086 4.487 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.342 3.232 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.348 4.560 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.493 6.765 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.782 6.987 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.046 7.160 2.166 1.00 0.00 H new ATOM 693 N ASP A 65 -3.854 1.704 1.427 1.00 0.00 N ATOM 694 CA ASP A 65 -3.793 0.388 2.039 1.00 0.00 C ATOM 695 C ASP A 65 -3.148 0.500 3.421 1.00 0.00 C ATOM 696 O ASP A 65 -3.223 1.549 4.062 1.00 0.00 O ATOM 697 CB ASP A 65 -2.947 -0.571 1.199 1.00 0.00 C ATOM 698 CG ASP A 65 -3.393 -2.034 1.242 1.00 0.00 C ATOM 699 OD1 ASP A 65 -3.057 -2.701 2.244 1.00 0.00 O ATOM 700 OD2 ASP A 65 -4.059 -2.452 0.271 1.00 0.00 O ATOM 0 H ASP A 65 -2.960 2.056 1.084 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.810 0.004 2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.962 -0.233 0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.913 -0.512 1.539 1.00 0.00 H new ATOM 704 N GLN A 66 -2.529 -0.593 3.842 1.00 0.00 N ATOM 705 CA GLN A 66 -1.872 -0.628 5.137 1.00 0.00 C ATOM 706 C GLN A 66 -0.448 -0.078 5.025 1.00 0.00 C ATOM 707 O GLN A 66 0.232 0.101 6.034 1.00 0.00 O ATOM 708 CB GLN A 66 -1.867 -2.048 5.711 1.00 0.00 C ATOM 709 CG GLN A 66 -1.521 -2.036 7.200 1.00 0.00 C ATOM 710 CD GLN A 66 -0.745 -3.294 7.593 1.00 0.00 C ATOM 711 OE1 GLN A 66 0.064 -3.815 6.842 1.00 0.00 O ATOM 712 NE2 GLN A 66 -1.033 -3.751 8.808 1.00 0.00 N ATOM 0 H GLN A 66 -2.469 -1.461 3.309 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.433 0.005 5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.845 -2.506 5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.144 -2.660 5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.928 -1.151 7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.436 -1.970 7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.721 -3.267 9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.566 -4.586 9.163 1.00 0.00 H new ATOM 719 N ILE A 67 -0.041 0.174 3.790 1.00 0.00 N ATOM 720 CA ILE A 67 1.288 0.701 3.534 1.00 0.00 C ATOM 721 C ILE A 67 1.187 2.191 3.201 1.00 0.00 C ATOM 722 O ILE A 67 1.916 2.691 2.346 1.00 0.00 O ATOM 723 CB ILE A 67 1.992 -0.124 2.454 1.00 0.00 C ATOM 724 CG1 ILE A 67 1.672 -1.612 2.604 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.499 0.142 2.456 1.00 0.00 C ATOM 726 CD1 ILE A 67 2.508 -2.453 1.638 1.00 0.00 C ATOM 0 H ILE A 67 -0.608 0.023 2.956 1.00 0.00 H new ATOM 0 HA ILE A 67 1.910 0.615 4.425 1.00 0.00 H new ATOM 0 HB ILE A 67 1.611 0.190 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.867 -1.928 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.612 -1.780 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.975 -0.457 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.682 1.199 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.915 -0.127 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.261 -3.507 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.293 -2.151 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.567 -2.301 1.846 1.00 0.00 H new ATOM 737 N GLY A 68 0.277 2.859 3.895 1.00 0.00 N ATOM 738 CA GLY A 68 0.071 4.282 3.685 1.00 0.00 C ATOM 739 C GLY A 68 0.346 4.666 2.229 1.00 0.00 C ATOM 740 O GLY A 68 1.025 5.656 1.963 1.00 0.00 O ATOM 0 H GLY A 68 -0.326 2.441 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.953 4.548 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.727 4.850 4.345 1.00 0.00 H new ATOM 744 N THR A 69 -0.195 3.862 1.326 1.00 0.00 N ATOM 745 CA THR A 69 -0.017 4.105 -0.096 1.00 0.00 C ATOM 746 C THR A 69 -1.374 4.199 -0.795 1.00 0.00 C ATOM 747 O THR A 69 -2.116 3.220 -0.851 1.00 0.00 O ATOM 748 CB THR A 69 0.881 3.000 -0.655 1.00 0.00 C ATOM 749 OG1 THR A 69 1.337 3.520 -1.901 1.00 0.00 O ATOM 750 CG2 THR A 69 0.094 1.746 -1.040 1.00 0.00 C ATOM 0 H THR A 69 -0.757 3.041 1.551 1.00 0.00 H new ATOM 0 HA THR A 69 0.472 5.062 -0.276 1.00 0.00 H new ATOM 0 HB THR A 69 1.640 2.740 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.952 2.880 -2.317 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.778 0.993 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.415 1.352 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.642 1.998 -1.803 1.00 0.00 H new ATOM 758 N CYS A 70 -1.656 5.387 -1.312 1.00 0.00 N ATOM 759 CA CYS A 70 -2.911 5.620 -2.006 1.00 0.00 C ATOM 760 C CYS A 70 -2.634 5.626 -3.511 1.00 0.00 C ATOM 761 O CYS A 70 -2.099 6.596 -4.044 1.00 0.00 O ATOM 762 CB CYS A 70 -3.579 6.918 -1.545 1.00 0.00 C ATOM 763 SG CYS A 70 -4.610 7.742 -2.811 1.00 0.00 S ATOM 0 H CYS A 70 -1.038 6.197 -1.264 1.00 0.00 H new ATOM 0 HA CYS A 70 -3.614 4.821 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -4.200 6.702 -0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.805 7.613 -1.219 1.00 0.00 H new ATOM 767 N TRP A 71 -3.011 4.529 -4.153 1.00 0.00 N ATOM 768 CA TRP A 71 -2.810 4.395 -5.586 1.00 0.00 C ATOM 769 C TRP A 71 -3.918 5.178 -6.294 1.00 0.00 C ATOM 770 O TRP A 71 -5.097 4.995 -6.000 1.00 0.00 O ATOM 771 CB TRP A 71 -2.762 2.922 -5.997 1.00 0.00 C ATOM 772 CG TRP A 71 -1.582 2.148 -5.405 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.446 1.683 -4.156 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.372 1.767 -6.092 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.240 1.032 -3.988 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.434 1.084 -5.202 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.029 1.991 -7.420 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.690 0.571 -5.545 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.287 1.471 -7.746 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.110 0.782 -6.864 1.00 0.00 C ATOM 0 H TRP A 71 -3.454 3.726 -3.707 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.847 4.811 -5.881 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.690 2.440 -5.690 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.715 2.860 -7.084 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.186 1.802 -3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.095 0.593 -3.130 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.585 2.522 -8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.302 0.041 -4.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.643 1.616 -8.755 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.069 0.411 -7.194 1.00 0.00 H new ATOM 790 N PRO A 72 -3.487 6.057 -7.238 1.00 0.00 N ATOM 791 CA PRO A 72 -4.428 6.868 -7.990 1.00 0.00 C ATOM 792 C PRO A 72 -5.149 6.031 -9.049 1.00 0.00 C ATOM 793 O PRO A 72 -4.852 6.137 -10.239 1.00 0.00 O ATOM 794 CB PRO A 72 -3.593 7.989 -8.588 1.00 0.00 C ATOM 795 CG PRO A 72 -2.152 7.507 -8.535 1.00 0.00 C ATOM 796 CD PRO A 72 -2.097 6.300 -7.613 1.00 0.00 C ATOM 0 HA PRO A 72 -5.226 7.272 -7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.897 8.199 -9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.717 8.913 -8.023 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.802 7.242 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.498 8.298 -8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.666 5.435 -8.118 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.479 6.498 -6.737 1.00 0.00 H new ATOM 801 N GLN A 73 -6.084 5.218 -8.579 1.00 0.00 N ATOM 802 CA GLN A 73 -6.850 4.363 -9.470 1.00 0.00 C ATOM 803 C GLN A 73 -5.911 3.513 -10.328 1.00 0.00 C ATOM 804 O GLN A 73 -4.706 3.761 -10.368 1.00 0.00 O ATOM 805 CB GLN A 73 -7.794 5.190 -10.346 1.00 0.00 C ATOM 806 CG GLN A 73 -9.074 5.546 -9.588 1.00 0.00 C ATOM 807 CD GLN A 73 -10.311 5.304 -10.457 1.00 0.00 C ATOM 808 OE1 GLN A 73 -10.878 4.225 -10.488 1.00 0.00 O ATOM 809 NE2 GLN A 73 -10.694 6.367 -11.157 1.00 0.00 N ATOM 0 H GLN A 73 -6.328 5.133 -7.592 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.461 3.695 -8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.292 6.102 -10.667 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.044 4.630 -11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.141 4.948 -8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.040 6.591 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.173 7.241 -11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.509 6.309 -11.767 1.00 0.00 H new ATOM 816 N SER A 74 -6.497 2.527 -10.991 1.00 0.00 N ATOM 817 CA SER A 74 -5.727 1.638 -11.846 1.00 0.00 C ATOM 818 C SER A 74 -6.669 0.776 -12.688 1.00 0.00 C ATOM 819 O SER A 74 -7.885 0.825 -12.511 1.00 0.00 O ATOM 820 CB SER A 74 -4.792 0.754 -11.019 1.00 0.00 C ATOM 821 OG SER A 74 -4.202 1.466 -9.935 1.00 0.00 O ATOM 0 H SER A 74 -7.496 2.324 -10.954 1.00 0.00 H new ATOM 0 HA SER A 74 -5.113 2.247 -12.510 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.349 -0.099 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.006 0.357 -11.662 1.00 0.00 H new ATOM 0 HG SER A 74 -3.978 0.840 -9.215 1.00 0.00 H new ATOM 826 N ALA A 75 -6.071 0.006 -13.585 1.00 0.00 N ATOM 827 CA ALA A 75 -6.842 -0.866 -14.455 1.00 0.00 C ATOM 828 C ALA A 75 -6.921 -2.261 -13.831 1.00 0.00 C ATOM 829 O ALA A 75 -5.990 -2.697 -13.155 1.00 0.00 O ATOM 830 CB ALA A 75 -6.211 -0.886 -15.849 1.00 0.00 C ATOM 0 H ALA A 75 -5.062 -0.032 -13.728 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.861 -0.495 -14.564 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.790 -1.540 -16.501 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.205 0.123 -16.260 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.188 -1.255 -15.780 1.00 0.00 H new ATOM 836 N PRO A 76 -8.070 -2.941 -14.086 1.00 0.00 N ATOM 837 CA PRO A 76 -8.282 -4.278 -13.557 1.00 0.00 C ATOM 838 C PRO A 76 -7.459 -5.311 -14.330 1.00 0.00 C ATOM 839 O PRO A 76 -7.128 -5.099 -15.495 1.00 0.00 O ATOM 840 CB PRO A 76 -9.781 -4.511 -13.666 1.00 0.00 C ATOM 841 CG PRO A 76 -10.289 -3.492 -14.673 1.00 0.00 C ATOM 842 CD PRO A 76 -9.194 -2.458 -14.882 1.00 0.00 C ATOM 0 HA PRO A 76 -7.950 -4.379 -12.524 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.995 -5.527 -13.997 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.268 -4.381 -12.699 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.539 -3.979 -15.616 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.199 -3.016 -14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.926 -2.373 -15.935 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.515 -1.469 -14.554 1.00 0.00 H new ATOM 847 N GLY A 77 -7.152 -6.405 -13.649 1.00 0.00 N ATOM 848 CA GLY A 77 -6.373 -7.470 -14.257 1.00 0.00 C ATOM 849 C GLY A 77 -5.076 -6.927 -14.860 1.00 0.00 C ATOM 850 O GLY A 77 -4.465 -7.572 -15.710 1.00 0.00 O ATOM 0 H GLY A 77 -7.429 -6.577 -12.682 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.141 -8.228 -13.509 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.962 -7.958 -15.033 1.00 0.00 H new ATOM 854 N ALA A 78 -4.695 -5.745 -14.396 1.00 0.00 N ATOM 855 CA ALA A 78 -3.483 -5.108 -14.880 1.00 0.00 C ATOM 856 C ALA A 78 -2.311 -5.500 -13.976 1.00 0.00 C ATOM 857 O ALA A 78 -2.339 -6.550 -13.337 1.00 0.00 O ATOM 858 CB ALA A 78 -3.691 -3.594 -14.940 1.00 0.00 C ATOM 0 H ALA A 78 -5.204 -5.213 -13.691 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.249 -5.445 -15.890 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.781 -3.116 -15.303 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.515 -3.366 -15.616 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.925 -3.219 -13.944 1.00 0.00 H new ATOM 864 N LEU A 79 -1.308 -4.634 -13.953 1.00 0.00 N ATOM 865 CA LEU A 79 -0.129 -4.876 -13.139 1.00 0.00 C ATOM 866 C LEU A 79 0.550 -3.542 -12.824 1.00 0.00 C ATOM 867 O LEU A 79 1.327 -3.032 -13.629 1.00 0.00 O ATOM 868 CB LEU A 79 0.792 -5.890 -13.820 1.00 0.00 C ATOM 869 CG LEU A 79 0.830 -7.287 -13.197 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.210 -8.323 -14.137 1.00 0.00 C ATOM 871 CD2 LEU A 79 2.254 -7.666 -12.786 1.00 0.00 C ATOM 0 H LEU A 79 -1.288 -3.764 -14.485 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.409 -5.324 -12.186 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.486 -5.987 -14.862 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.805 -5.487 -13.822 1.00 0.00 H new ATOM 0 HG LEU A 79 0.226 -7.273 -12.290 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.250 -9.307 -13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.828 -8.058 -14.337 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.766 -8.343 -15.074 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.252 -8.663 -12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.900 -7.657 -13.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.625 -6.948 -12.055 1.00 0.00 H new ATOM 882 N VAL A 80 0.233 -3.017 -11.649 1.00 0.00 N ATOM 883 CA VAL A 80 0.803 -1.752 -11.217 1.00 0.00 C ATOM 884 C VAL A 80 2.098 -2.018 -10.447 1.00 0.00 C ATOM 885 O VAL A 80 2.197 -1.697 -9.264 1.00 0.00 O ATOM 886 CB VAL A 80 -0.226 -0.965 -10.403 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.104 0.529 -10.400 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.643 -1.211 -10.926 1.00 0.00 C ATOM 0 H VAL A 80 -0.411 -3.444 -10.983 1.00 0.00 H new ATOM 0 HA VAL A 80 1.058 -1.134 -12.078 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.181 -1.321 -9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.643 1.065 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.089 0.683 -9.960 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.101 0.904 -11.423 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.355 -0.640 -10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.706 -0.896 -11.967 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.878 -2.273 -10.853 1.00 0.00 H new ATOM 898 N GLU A 81 3.058 -2.602 -11.149 1.00 0.00 N ATOM 899 CA GLU A 81 4.341 -2.914 -10.547 1.00 0.00 C ATOM 900 C GLU A 81 5.347 -1.796 -10.828 1.00 0.00 C ATOM 901 O GLU A 81 5.371 -1.239 -11.925 1.00 0.00 O ATOM 902 CB GLU A 81 4.868 -4.262 -11.043 1.00 0.00 C ATOM 903 CG GLU A 81 4.601 -4.436 -12.540 1.00 0.00 C ATOM 904 CD GLU A 81 5.692 -5.284 -13.197 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.597 -6.524 -13.076 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.597 -4.673 -13.805 1.00 0.00 O ATOM 0 H GLU A 81 2.972 -2.867 -12.130 1.00 0.00 H new ATOM 0 HA GLU A 81 4.203 -2.990 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.939 -4.332 -10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.391 -5.070 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.630 -4.909 -12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.556 -3.459 -13.021 1.00 0.00 H new ATOM 911 N ARG A 82 6.153 -1.499 -9.819 1.00 0.00 N ATOM 912 CA ARG A 82 7.158 -0.457 -9.945 1.00 0.00 C ATOM 913 C ARG A 82 8.496 -0.940 -9.382 1.00 0.00 C ATOM 914 O ARG A 82 9.012 -0.368 -8.423 1.00 0.00 O ATOM 915 CB ARG A 82 6.729 0.812 -9.206 1.00 0.00 C ATOM 916 CG ARG A 82 5.361 1.294 -9.691 1.00 0.00 C ATOM 917 CD ARG A 82 5.062 2.704 -9.176 1.00 0.00 C ATOM 918 NE ARG A 82 3.602 2.952 -9.199 1.00 0.00 N ATOM 919 CZ ARG A 82 2.917 3.300 -10.296 1.00 0.00 C ATOM 920 NH1 ARG A 82 3.553 3.445 -11.466 1.00 0.00 N ATOM 921 NH2 ARG A 82 1.595 3.505 -10.223 1.00 0.00 N ATOM 0 H ARG A 82 6.130 -1.962 -8.910 1.00 0.00 H new ATOM 0 HA ARG A 82 7.268 -0.227 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.691 0.617 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.471 1.596 -9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.335 1.288 -10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.587 0.607 -9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.443 2.818 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.574 3.442 -9.793 1.00 0.00 H new ATOM 0 HE ARG A 82 3.086 2.851 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.560 3.290 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.031 3.710 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.110 3.396 -9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.073 3.770 -11.058 1.00 0.00 H new ATOM 932 N PRO A 83 9.033 -2.014 -10.020 1.00 0.00 N ATOM 933 CA PRO A 83 10.302 -2.580 -9.593 1.00 0.00 C ATOM 934 C PRO A 83 11.471 -1.694 -10.027 1.00 0.00 C ATOM 935 O PRO A 83 11.303 -0.799 -10.853 1.00 0.00 O ATOM 936 CB PRO A 83 10.344 -3.966 -10.215 1.00 0.00 C ATOM 937 CG PRO A 83 9.320 -3.949 -11.340 1.00 0.00 C ATOM 938 CD PRO A 83 8.451 -2.716 -11.159 1.00 0.00 C ATOM 0 HA PRO A 83 10.391 -2.642 -8.508 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.340 -4.193 -10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.102 -4.732 -9.478 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.818 -3.926 -12.309 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.711 -4.853 -11.316 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.457 -2.093 -12.053 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.413 -2.988 -10.968 1.00 0.00 H new ATOM 943 N CYS A 84 12.631 -1.975 -9.450 1.00 0.00 N ATOM 944 CA CYS A 84 13.827 -1.214 -9.767 1.00 0.00 C ATOM 945 C CYS A 84 14.928 -2.197 -10.172 1.00 0.00 C ATOM 946 O CYS A 84 15.581 -2.790 -9.315 1.00 0.00 O ATOM 947 CB CYS A 84 14.258 -0.325 -8.599 1.00 0.00 C ATOM 948 SG CYS A 84 14.093 -1.094 -6.947 1.00 0.00 S ATOM 0 H CYS A 84 12.767 -2.719 -8.765 1.00 0.00 H new ATOM 0 HA CYS A 84 13.621 -0.537 -10.596 1.00 0.00 H new ATOM 0 HB2 CYS A 84 15.298 -0.034 -8.747 1.00 0.00 H new ATOM 0 HB3 CYS A 84 13.666 0.590 -8.619 1.00 0.00 H new ATOM 952 N PRO A 85 15.104 -2.343 -11.512 1.00 0.00 N ATOM 953 CA PRO A 85 16.114 -3.243 -12.041 1.00 0.00 C ATOM 954 C PRO A 85 17.515 -2.648 -11.887 1.00 0.00 C ATOM 955 O PRO A 85 17.688 -1.622 -11.231 1.00 0.00 O ATOM 956 CB PRO A 85 15.720 -3.468 -13.491 1.00 0.00 C ATOM 957 CG PRO A 85 14.781 -2.328 -13.849 1.00 0.00 C ATOM 958 CD PRO A 85 14.349 -1.657 -12.557 1.00 0.00 C ATOM 0 HA PRO A 85 16.157 -4.190 -11.502 1.00 0.00 H new ATOM 0 HB2 PRO A 85 16.597 -3.470 -14.138 1.00 0.00 H new ATOM 0 HB3 PRO A 85 15.229 -4.433 -13.617 1.00 0.00 H new ATOM 0 HG2 PRO A 85 15.281 -1.613 -14.502 1.00 0.00 H new ATOM 0 HG3 PRO A 85 13.914 -2.704 -14.392 1.00 0.00 H new ATOM 0 HD2 PRO A 85 14.572 -0.590 -12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 85 13.275 -1.756 -12.399 1.00 0.00 H new ATOM 963 N GLU A 86 18.479 -3.317 -12.504 1.00 0.00 N ATOM 964 CA GLU A 86 19.858 -2.866 -12.444 1.00 0.00 C ATOM 965 C GLU A 86 19.926 -1.344 -12.583 1.00 0.00 C ATOM 966 O GLU A 86 19.048 -0.733 -13.190 1.00 0.00 O ATOM 967 CB GLU A 86 20.708 -3.554 -13.514 1.00 0.00 C ATOM 968 CG GLU A 86 20.112 -3.339 -14.907 1.00 0.00 C ATOM 969 CD GLU A 86 20.897 -4.117 -15.964 1.00 0.00 C ATOM 970 OE1 GLU A 86 21.400 -5.205 -15.611 1.00 0.00 O ATOM 971 OE2 GLU A 86 20.976 -3.606 -17.104 1.00 0.00 O ATOM 0 H GLU A 86 18.331 -4.167 -13.047 1.00 0.00 H new ATOM 0 HA GLU A 86 20.267 -3.140 -11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 86 21.724 -3.161 -13.484 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.772 -4.621 -13.302 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.070 -3.659 -14.914 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.121 -2.277 -15.151 1.00 0.00 H new ATOM 976 N TYR A 87 20.978 -0.776 -12.012 1.00 0.00 N ATOM 977 CA TYR A 87 21.172 0.664 -12.067 1.00 0.00 C ATOM 978 C TYR A 87 19.863 1.405 -11.787 1.00 0.00 C ATOM 979 O TYR A 87 19.169 1.817 -12.715 1.00 0.00 O ATOM 980 CB TYR A 87 21.626 0.975 -13.494 1.00 0.00 C ATOM 981 CG TYR A 87 21.513 2.452 -13.875 1.00 0.00 C ATOM 982 CD1 TYR A 87 22.378 3.375 -13.323 1.00 0.00 C ATOM 983 CD2 TYR A 87 20.545 2.863 -14.770 1.00 0.00 C ATOM 984 CE1 TYR A 87 22.272 4.765 -13.682 1.00 0.00 C ATOM 985 CE2 TYR A 87 20.439 4.253 -15.129 1.00 0.00 C ATOM 986 CZ TYR A 87 21.307 5.136 -14.567 1.00 0.00 C ATOM 987 OH TYR A 87 21.207 6.450 -14.905 1.00 0.00 O ATOM 0 H TYR A 87 21.705 -1.286 -11.509 1.00 0.00 H new ATOM 0 HA TYR A 87 21.899 0.982 -11.319 1.00 0.00 H new ATOM 0 HB2 TYR A 87 22.662 0.658 -13.612 1.00 0.00 H new ATOM 0 HB3 TYR A 87 21.031 0.384 -14.190 1.00 0.00 H new ATOM 0 HD1 TYR A 87 23.134 3.054 -12.622 1.00 0.00 H new ATOM 0 HD2 TYR A 87 19.867 2.141 -15.201 1.00 0.00 H new ATOM 0 HE1 TYR A 87 22.943 5.497 -13.258 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.687 4.587 -15.829 1.00 0.00 H new ATOM 0 HH TYR A 87 20.475 6.568 -15.546 1.00 0.00 H new ATOM 996 N PHE A 88 19.565 1.551 -10.505 1.00 0.00 N ATOM 997 CA PHE A 88 18.351 2.234 -10.091 1.00 0.00 C ATOM 998 C PHE A 88 18.673 3.420 -9.179 1.00 0.00 C ATOM 999 O PHE A 88 17.775 4.149 -8.762 1.00 0.00 O ATOM 1000 CB PHE A 88 17.510 1.221 -9.312 1.00 0.00 C ATOM 1001 CG PHE A 88 18.331 0.275 -8.434 1.00 0.00 C ATOM 1002 CD1 PHE A 88 19.309 0.771 -7.629 1.00 0.00 C ATOM 1003 CD2 PHE A 88 18.083 -1.062 -8.458 1.00 0.00 C ATOM 1004 CE1 PHE A 88 20.070 -0.108 -6.814 1.00 0.00 C ATOM 1005 CE2 PHE A 88 18.845 -1.940 -7.643 1.00 0.00 C ATOM 1006 CZ PHE A 88 19.823 -1.444 -6.837 1.00 0.00 C ATOM 0 H PHE A 88 20.144 1.208 -9.738 1.00 0.00 H new ATOM 0 HA PHE A 88 17.822 2.615 -10.965 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.801 1.760 -8.684 1.00 0.00 H new ATOM 0 HB3 PHE A 88 16.926 0.630 -10.018 1.00 0.00 H new ATOM 0 HD1 PHE A 88 19.506 1.833 -7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 88 17.306 -1.456 -9.097 1.00 0.00 H new ATOM 0 HE1 PHE A 88 20.846 0.286 -6.175 1.00 0.00 H new ATOM 0 HE2 PHE A 88 18.648 -3.002 -7.663 1.00 0.00 H new ATOM 0 HZ PHE A 88 20.402 -2.112 -6.216 1.00 0.00 H new ATOM 1015 N ASN A 89 19.958 3.576 -8.895 1.00 0.00 N ATOM 1016 CA ASN A 89 20.411 4.660 -8.041 1.00 0.00 C ATOM 1017 C ASN A 89 21.742 4.272 -7.393 1.00 0.00 C ATOM 1018 O ASN A 89 22.509 5.139 -6.977 1.00 0.00 O ATOM 1019 CB ASN A 89 19.404 4.935 -6.921 1.00 0.00 C ATOM 1020 CG ASN A 89 18.936 3.631 -6.272 1.00 0.00 C ATOM 1021 OD1 ASN A 89 19.708 2.883 -5.696 1.00 0.00 O ATOM 1022 ND2 ASN A 89 17.632 3.402 -6.397 1.00 0.00 N ATOM 0 H ASN A 89 20.700 2.969 -9.242 1.00 0.00 H new ATOM 0 HA ASN A 89 20.520 5.552 -8.658 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.859 5.577 -6.167 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.546 5.474 -7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.222 2.558 -5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.042 4.071 -6.892 1.00 0.00 H new ATOM 1028 N GLY A 90 21.975 2.970 -7.330 1.00 0.00 N ATOM 1029 CA GLY A 90 23.201 2.458 -6.741 1.00 0.00 C ATOM 1030 C GLY A 90 23.648 1.172 -7.439 1.00 0.00 C ATOM 1031 O GLY A 90 24.098 1.206 -8.583 1.00 0.00 O ATOM 0 H GLY A 90 21.336 2.254 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.987 3.209 -6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.046 2.265 -5.679 1.00 0.00 H new ATOM 1035 N ILE A 91 23.511 0.067 -6.720 1.00 0.00 N ATOM 1036 CA ILE A 91 23.896 -1.227 -7.256 1.00 0.00 C ATOM 1037 C ILE A 91 22.800 -1.731 -8.198 1.00 0.00 C ATOM 1038 O ILE A 91 21.792 -1.056 -8.400 1.00 0.00 O ATOM 1039 CB ILE A 91 24.227 -2.200 -6.122 1.00 0.00 C ATOM 1040 CG1 ILE A 91 25.405 -3.101 -6.497 1.00 0.00 C ATOM 1041 CG2 ILE A 91 22.993 -3.010 -5.716 1.00 0.00 C ATOM 1042 CD1 ILE A 91 26.566 -2.278 -7.058 1.00 0.00 C ATOM 0 H ILE A 91 23.139 0.042 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 91 24.808 -1.138 -7.846 1.00 0.00 H new ATOM 0 HB ILE A 91 24.531 -1.618 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 91 25.738 -3.655 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 91 25.085 -3.836 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 91 23.256 -3.693 -4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 91 22.209 -2.333 -5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 91 22.635 -3.581 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 91 27.391 -2.942 -7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 91 26.236 -1.744 -7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 91 26.899 -1.561 -6.308 1.00 0.00 H new ATOM 1053 N LYS A 92 23.034 -2.913 -8.749 1.00 0.00 N ATOM 1054 CA LYS A 92 22.081 -3.515 -9.664 1.00 0.00 C ATOM 1055 C LYS A 92 20.932 -4.133 -8.864 1.00 0.00 C ATOM 1056 O LYS A 92 20.857 -3.965 -7.647 1.00 0.00 O ATOM 1057 CB LYS A 92 22.782 -4.503 -10.596 1.00 0.00 C ATOM 1058 CG LYS A 92 23.306 -5.713 -9.819 1.00 0.00 C ATOM 1059 CD LYS A 92 23.966 -6.725 -10.758 1.00 0.00 C ATOM 1060 CE LYS A 92 25.269 -6.168 -11.335 1.00 0.00 C ATOM 1061 NZ LYS A 92 26.374 -7.132 -11.141 1.00 0.00 N ATOM 0 H LYS A 92 23.871 -3.470 -8.579 1.00 0.00 H new ATOM 0 HA LYS A 92 21.646 -2.755 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 92 22.088 -4.835 -11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.609 -4.006 -11.103 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.026 -5.384 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 92 22.484 -6.190 -9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 92 24.169 -7.649 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.282 -6.974 -11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 92 25.143 -5.959 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 92 25.514 -5.223 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 27.251 -6.739 -11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.504 -7.311 -10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.145 -8.024 -11.624 1.00 0.00 H new ATOM 1071 N TYR A 93 20.066 -4.835 -9.579 1.00 0.00 N ATOM 1072 CA TYR A 93 18.925 -5.479 -8.951 1.00 0.00 C ATOM 1073 C TYR A 93 19.285 -6.888 -8.473 1.00 0.00 C ATOM 1074 O TYR A 93 19.579 -7.765 -9.283 1.00 0.00 O ATOM 1075 CB TYR A 93 17.849 -5.580 -10.033 1.00 0.00 C ATOM 1076 CG TYR A 93 18.073 -6.718 -11.030 1.00 0.00 C ATOM 1077 CD1 TYR A 93 18.909 -6.533 -12.112 1.00 0.00 C ATOM 1078 CD2 TYR A 93 17.440 -7.932 -10.847 1.00 0.00 C ATOM 1079 CE1 TYR A 93 19.120 -7.604 -13.050 1.00 0.00 C ATOM 1080 CE2 TYR A 93 17.652 -9.003 -11.786 1.00 0.00 C ATOM 1081 CZ TYR A 93 18.482 -8.786 -12.841 1.00 0.00 C ATOM 1082 OH TYR A 93 18.682 -9.798 -13.727 1.00 0.00 O ATOM 0 H TYR A 93 20.131 -4.972 -10.588 1.00 0.00 H new ATOM 0 HA TYR A 93 18.593 -4.909 -8.083 1.00 0.00 H new ATOM 0 HB2 TYR A 93 16.879 -5.716 -9.555 1.00 0.00 H new ATOM 0 HB3 TYR A 93 17.807 -4.637 -10.578 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.405 -5.584 -12.255 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.786 -8.078 -10.000 1.00 0.00 H new ATOM 0 HE1 TYR A 93 19.771 -7.471 -13.901 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.163 -9.957 -11.655 1.00 0.00 H new ATOM 0 HH TYR A 93 18.163 -10.582 -13.450 1.00 0.00 H new ATOM 1091 N ASN A 94 19.250 -7.060 -7.160 1.00 0.00 N ATOM 1092 CA ASN A 94 19.569 -8.347 -6.565 1.00 0.00 C ATOM 1093 C ASN A 94 18.378 -8.829 -5.733 1.00 0.00 C ATOM 1094 O ASN A 94 18.023 -10.006 -5.774 1.00 0.00 O ATOM 1095 CB ASN A 94 20.781 -8.240 -5.638 1.00 0.00 C ATOM 1096 CG ASN A 94 21.510 -6.909 -5.839 1.00 0.00 C ATOM 1097 OD1 ASN A 94 21.827 -6.199 -4.900 1.00 0.00 O ATOM 1098 ND2 ASN A 94 21.755 -6.615 -7.113 1.00 0.00 N ATOM 0 H ASN A 94 19.006 -6.330 -6.491 1.00 0.00 H new ATOM 0 HA ASN A 94 19.793 -9.045 -7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.459 -8.329 -4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 94 21.465 -9.066 -5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.237 -5.749 -7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 94 21.461 -7.256 -7.850 1.00 0.00 H new ATOM 1104 N THR A 95 17.794 -7.894 -4.998 1.00 0.00 N ATOM 1105 CA THR A 95 16.650 -8.208 -4.159 1.00 0.00 C ATOM 1106 C THR A 95 16.054 -6.928 -3.570 1.00 0.00 C ATOM 1107 O THR A 95 16.014 -6.760 -2.352 1.00 0.00 O ATOM 1108 CB THR A 95 17.106 -9.211 -3.096 1.00 0.00 C ATOM 1109 OG1 THR A 95 16.101 -9.130 -2.089 1.00 0.00 O ATOM 1110 CG2 THR A 95 18.385 -8.768 -2.383 1.00 0.00 C ATOM 0 H THR A 95 18.092 -6.919 -4.966 1.00 0.00 H new ATOM 0 HA THR A 95 15.848 -8.666 -4.738 1.00 0.00 H new ATOM 0 HB THR A 95 17.268 -10.184 -3.561 1.00 0.00 H new ATOM 0 HG1 THR A 95 16.130 -8.245 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 95 18.664 -9.515 -1.640 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.189 -8.662 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 95 18.214 -7.811 -1.890 1.00 0.00 H new ATOM 1118 N THR A 96 15.604 -6.059 -4.462 1.00 0.00 N ATOM 1119 CA THR A 96 15.010 -4.799 -4.046 1.00 0.00 C ATOM 1120 C THR A 96 13.503 -4.962 -3.839 1.00 0.00 C ATOM 1121 O THR A 96 12.761 -3.981 -3.854 1.00 0.00 O ATOM 1122 CB THR A 96 15.369 -3.740 -5.089 1.00 0.00 C ATOM 1123 OG1 THR A 96 14.769 -2.546 -4.594 1.00 0.00 O ATOM 1124 CG2 THR A 96 14.672 -3.979 -6.430 1.00 0.00 C ATOM 0 H THR A 96 15.638 -6.202 -5.471 1.00 0.00 H new ATOM 0 HA THR A 96 15.405 -4.475 -3.083 1.00 0.00 H new ATOM 0 HB THR A 96 16.449 -3.729 -5.238 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.807 -1.851 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.961 -3.199 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 96 14.966 -4.952 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.592 -3.957 -6.288 1.00 0.00 H new ATOM 1132 N ARG A 97 13.096 -6.208 -3.650 1.00 0.00 N ATOM 1133 CA ARG A 97 11.691 -6.512 -3.441 1.00 0.00 C ATOM 1134 C ARG A 97 10.833 -5.819 -4.502 1.00 0.00 C ATOM 1135 O ARG A 97 9.999 -4.975 -4.177 1.00 0.00 O ATOM 1136 CB ARG A 97 11.231 -6.065 -2.052 1.00 0.00 C ATOM 1137 CG ARG A 97 11.386 -7.195 -1.033 1.00 0.00 C ATOM 1138 CD ARG A 97 12.570 -6.934 -0.099 1.00 0.00 C ATOM 1139 NE ARG A 97 12.412 -7.714 1.149 1.00 0.00 N ATOM 1140 CZ ARG A 97 13.183 -7.560 2.233 1.00 0.00 C ATOM 1141 NH1 ARG A 97 14.171 -6.654 2.230 1.00 0.00 N ATOM 1142 NH2 ARG A 97 12.967 -8.311 3.321 1.00 0.00 N ATOM 0 H ARG A 97 13.715 -7.019 -3.637 1.00 0.00 H new ATOM 0 HA ARG A 97 11.571 -7.592 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.813 -5.201 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.189 -5.749 -2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.471 -7.290 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.531 -8.142 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.502 -7.209 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.634 -5.871 0.133 1.00 0.00 H new ATOM 0 HE ARG A 97 11.670 -8.412 1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.336 -6.082 1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.758 -6.537 3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.215 -9.000 3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.554 -8.194 4.147 1.00 0.00 H new ATOM 1153 N ASN A 98 11.067 -6.201 -5.749 1.00 0.00 N ATOM 1154 CA ASN A 98 10.328 -5.627 -6.860 1.00 0.00 C ATOM 1155 C ASN A 98 8.897 -5.322 -6.410 1.00 0.00 C ATOM 1156 O ASN A 98 8.329 -6.052 -5.599 1.00 0.00 O ATOM 1157 CB ASN A 98 10.255 -6.601 -8.037 1.00 0.00 C ATOM 1158 CG ASN A 98 10.372 -8.050 -7.557 1.00 0.00 C ATOM 1159 OD1 ASN A 98 9.559 -8.546 -6.795 1.00 0.00 O ATOM 1160 ND2 ASN A 98 11.427 -8.697 -8.044 1.00 0.00 N ATOM 0 H ASN A 98 11.759 -6.902 -6.014 1.00 0.00 H new ATOM 0 HA ASN A 98 10.844 -4.720 -7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.313 -6.465 -8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.055 -6.383 -8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.594 -9.669 -7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.069 -8.221 -8.678 1.00 0.00 H new ATOM 1166 N ALA A 99 8.357 -4.242 -6.956 1.00 0.00 N ATOM 1167 CA ALA A 99 7.004 -3.832 -6.621 1.00 0.00 C ATOM 1168 C ALA A 99 6.026 -4.444 -7.626 1.00 0.00 C ATOM 1169 O ALA A 99 6.368 -4.636 -8.792 1.00 0.00 O ATOM 1170 CB ALA A 99 6.926 -2.304 -6.590 1.00 0.00 C ATOM 0 H ALA A 99 8.832 -3.639 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 99 6.729 -4.193 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.911 -1.997 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.618 -1.920 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.194 -1.906 -7.569 1.00 0.00 H new ATOM 1176 N TYR A 100 4.829 -4.734 -7.138 1.00 0.00 N ATOM 1177 CA TYR A 100 3.800 -5.321 -7.978 1.00 0.00 C ATOM 1178 C TYR A 100 2.539 -5.628 -7.168 1.00 0.00 C ATOM 1179 O TYR A 100 2.613 -6.248 -6.108 1.00 0.00 O ATOM 1180 CB TYR A 100 4.384 -6.633 -8.506 1.00 0.00 C ATOM 1181 CG TYR A 100 4.928 -7.556 -7.414 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.231 -7.416 -6.978 1.00 0.00 C ATOM 1183 CD2 TYR A 100 4.118 -8.528 -6.865 1.00 0.00 C ATOM 1184 CE1 TYR A 100 6.743 -8.284 -5.950 1.00 0.00 C ATOM 1185 CE2 TYR A 100 4.631 -9.397 -5.837 1.00 0.00 C ATOM 1186 CZ TYR A 100 5.917 -9.232 -5.431 1.00 0.00 C ATOM 1187 OH TYR A 100 6.402 -10.053 -4.460 1.00 0.00 O ATOM 0 H TYR A 100 4.549 -4.573 -6.171 1.00 0.00 H new ATOM 0 HA TYR A 100 3.521 -4.635 -8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.613 -7.163 -9.065 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.186 -6.405 -9.208 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.866 -6.655 -7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.099 -8.638 -7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.760 -8.185 -5.599 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.007 -10.162 -5.399 1.00 0.00 H new ATOM 0 HH TYR A 100 5.702 -10.680 -4.182 1.00 0.00 H new ATOM 1196 N ARG A 101 1.410 -5.180 -7.698 1.00 0.00 N ATOM 1197 CA ARG A 101 0.135 -5.398 -7.036 1.00 0.00 C ATOM 1198 C ARG A 101 -0.946 -5.734 -8.066 1.00 0.00 C ATOM 1199 O ARG A 101 -1.879 -4.959 -8.267 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.293 -4.162 -6.243 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.394 -4.477 -4.749 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.547 -3.709 -4.102 1.00 0.00 C ATOM 1203 NE ARG A 101 -1.974 -4.387 -2.859 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.604 -3.776 -1.846 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.885 -2.468 -1.926 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -2.954 -4.472 -0.757 1.00 0.00 N ATOM 0 H ARG A 101 1.352 -4.667 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 101 0.258 -6.233 -6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.425 -3.357 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.256 -3.806 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.542 -5.548 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.542 -4.218 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.235 -2.688 -3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.385 -3.643 -4.796 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.776 -5.383 -2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.619 -1.939 -2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.364 -2.001 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.741 -5.468 -0.698 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.433 -4.006 0.014 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.783 -6.891 -8.691 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.733 -7.339 -9.696 1.00 0.00 C ATOM 1219 C GLU A 102 -3.156 -6.949 -9.292 1.00 0.00 C ATOM 1220 O GLU A 102 -3.623 -7.318 -8.216 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.622 -8.848 -9.921 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.391 -9.584 -8.599 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.041 -10.305 -8.601 1.00 0.00 C ATOM 1224 OE1 GLU A 102 0.981 -9.594 -8.715 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.062 -11.549 -8.489 1.00 0.00 O ATOM 0 H GLU A 102 -0.008 -7.532 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.495 -6.846 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.533 -9.217 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.801 -9.058 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.427 -8.874 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.192 -10.305 -8.435 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.805 -6.206 -10.176 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.166 -5.761 -9.925 1.00 0.00 C ATOM 1232 C CYS A 103 -6.124 -6.858 -10.393 1.00 0.00 C ATOM 1233 O CYS A 103 -6.109 -7.243 -11.561 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.457 -4.421 -10.603 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.254 -3.173 -9.527 1.00 0.00 S ATOM 0 H CYS A 103 -3.414 -5.901 -11.067 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.305 -5.590 -8.857 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.521 -4.010 -10.980 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.098 -4.598 -11.466 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.935 -7.330 -9.457 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.898 -8.375 -9.761 1.00 0.00 C ATOM 1241 C LEU A 104 -8.805 -7.912 -10.902 1.00 0.00 C ATOM 1242 O LEU A 104 -8.859 -6.722 -11.213 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.659 -8.785 -8.498 1.00 0.00 C ATOM 1244 CG LEU A 104 -8.078 -9.967 -7.719 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.658 -10.030 -6.305 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -8.282 -11.278 -8.481 1.00 0.00 C ATOM 0 H LEU A 104 -6.945 -7.008 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.388 -9.275 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.707 -7.924 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.684 -9.029 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.003 -9.816 -7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.229 -10.879 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.419 -9.109 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.740 -10.147 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.860 -12.102 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.348 -11.449 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.783 -11.218 -9.448 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.496 -8.874 -11.494 1.00 0.00 N ATOM 1258 CA GLU A 105 -10.400 -8.580 -12.594 1.00 0.00 C ATOM 1259 C GLU A 105 -11.687 -7.943 -12.067 1.00 0.00 C ATOM 1260 O GLU A 105 -12.590 -7.629 -12.842 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.703 -9.840 -13.407 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.196 -9.701 -14.844 1.00 0.00 C ATOM 1263 CD GLU A 105 -10.535 -10.945 -15.667 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -11.743 -11.250 -15.764 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.578 -11.563 -16.181 1.00 0.00 O ATOM 0 H GLU A 105 -9.449 -9.859 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.912 -7.868 -13.260 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.235 -10.703 -12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.777 -10.024 -13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.642 -8.821 -15.307 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.117 -9.546 -14.840 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.731 -7.770 -10.754 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.893 -7.177 -10.116 1.00 0.00 C ATOM 1272 C ASN A 106 -12.638 -5.685 -9.887 1.00 0.00 C ATOM 1273 O ASN A 106 -13.511 -4.970 -9.401 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.165 -7.824 -8.757 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.653 -8.137 -8.587 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.347 -7.554 -7.769 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -15.102 -9.087 -9.402 1.00 0.00 N ATOM 0 H ASN A 106 -10.980 -8.030 -10.115 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.752 -7.333 -10.768 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.584 -8.741 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.837 -7.157 -7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.082 -9.369 -9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.467 -9.534 -10.063 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.435 -5.262 -10.249 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.054 -3.868 -10.088 1.00 0.00 C ATOM 1285 C GLY A 107 -10.601 -3.585 -8.655 1.00 0.00 C ATOM 1286 O GLY A 107 -10.870 -2.513 -8.115 1.00 0.00 O ATOM 0 H GLY A 107 -10.713 -5.859 -10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.250 -3.625 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -11.898 -3.225 -10.340 1.00 0.00 H new ATOM 1290 N THR A 108 -9.918 -4.564 -8.080 1.00 0.00 N ATOM 1291 CA THR A 108 -9.425 -4.434 -6.721 1.00 0.00 C ATOM 1292 C THR A 108 -7.901 -4.575 -6.690 1.00 0.00 C ATOM 1293 O THR A 108 -7.292 -4.983 -7.678 1.00 0.00 O ATOM 1294 CB THR A 108 -10.147 -5.467 -5.854 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.993 -6.690 -6.570 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.660 -5.245 -5.817 1.00 0.00 C ATOM 0 H THR A 108 -9.695 -5.451 -8.532 1.00 0.00 H new ATOM 0 HA THR A 108 -9.637 -3.444 -6.318 1.00 0.00 H new ATOM 0 HB THR A 108 -9.750 -5.431 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.431 -7.415 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.124 -6.005 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.873 -4.257 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.063 -5.315 -6.827 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.329 -4.228 -5.547 1.00 0.00 N ATOM 1305 CA TRP A 109 -5.889 -4.311 -5.374 1.00 0.00 C ATOM 1306 C TRP A 109 -5.554 -5.710 -4.854 1.00 0.00 C ATOM 1307 O TRP A 109 -6.423 -6.579 -4.796 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.381 -3.195 -4.459 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.288 -1.827 -5.137 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.027 -0.735 -4.897 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.370 -1.447 -6.183 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -5.654 0.317 -5.709 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.614 -0.130 -6.515 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.365 -2.190 -6.828 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -3.896 0.558 -7.501 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.657 -1.490 -7.810 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -2.890 -0.163 -8.157 1.00 0.00 C ATOM 0 H TRP A 109 -7.837 -3.888 -4.731 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.378 -4.162 -6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.043 -3.117 -3.596 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.396 -3.469 -4.081 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.815 -0.684 -4.161 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.066 1.250 -5.716 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.156 -3.221 -6.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.107 1.589 -7.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.874 -2.016 -8.336 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.299 0.309 -8.928 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.293 -5.885 -4.490 1.00 0.00 N ATOM 1328 CA ALA A 110 -3.832 -7.164 -3.976 1.00 0.00 C ATOM 1329 C ALA A 110 -3.779 -7.106 -2.448 1.00 0.00 C ATOM 1330 O ALA A 110 -4.646 -6.505 -1.815 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.474 -7.503 -4.593 1.00 0.00 C ATOM 0 H ALA A 110 -3.575 -5.162 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.524 -7.960 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.128 -8.462 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.571 -7.561 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.753 -6.727 -4.335 1.00 0.00 H new ATOM 1337 N SER A 111 -2.754 -7.740 -1.898 1.00 0.00 N ATOM 1338 CA SER A 111 -2.577 -7.767 -0.456 1.00 0.00 C ATOM 1339 C SER A 111 -1.228 -7.151 -0.083 1.00 0.00 C ATOM 1340 O SER A 111 -1.148 -6.332 0.832 1.00 0.00 O ATOM 1341 CB SER A 111 -2.675 -9.196 0.083 1.00 0.00 C ATOM 1342 OG SER A 111 -3.979 -9.494 0.572 1.00 0.00 O ATOM 0 H SER A 111 -2.037 -8.239 -2.425 1.00 0.00 H new ATOM 0 HA SER A 111 -3.375 -7.180 -0.002 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.415 -9.900 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.948 -9.332 0.884 1.00 0.00 H new ATOM 0 HG SER A 111 -4.001 -10.415 0.905 1.00 0.00 H new ATOM 1347 N ARG A 112 -0.201 -7.566 -0.810 1.00 0.00 N ATOM 1348 CA ARG A 112 1.140 -7.064 -0.565 1.00 0.00 C ATOM 1349 C ARG A 112 1.591 -6.169 -1.721 1.00 0.00 C ATOM 1350 O ARG A 112 1.713 -6.628 -2.856 1.00 0.00 O ATOM 1351 CB ARG A 112 2.137 -8.214 -0.401 1.00 0.00 C ATOM 1352 CG ARG A 112 2.501 -8.419 1.070 1.00 0.00 C ATOM 1353 CD ARG A 112 3.901 -7.878 1.369 1.00 0.00 C ATOM 1354 NE ARG A 112 4.080 -7.717 2.830 1.00 0.00 N ATOM 1355 CZ ARG A 112 3.632 -6.667 3.530 1.00 0.00 C ATOM 1356 NH1 ARG A 112 2.976 -5.678 2.908 1.00 0.00 N ATOM 1357 NH2 ARG A 112 3.840 -6.605 4.852 1.00 0.00 N ATOM 0 H ARG A 112 -0.271 -8.244 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 112 1.114 -6.486 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.709 -9.132 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.038 -8.003 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.770 -7.916 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.457 -9.480 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 112 4.655 -8.559 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.044 -6.920 0.869 1.00 0.00 H new ATOM 0 HE ARG A 112 4.576 -8.452 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.818 -5.725 1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.635 -4.878 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.340 -7.358 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.499 -5.805 5.385 1.00 0.00 H new ATOM 1368 N VAL A 113 1.824 -4.906 -1.394 1.00 0.00 N ATOM 1369 CA VAL A 113 2.259 -3.942 -2.391 1.00 0.00 C ATOM 1370 C VAL A 113 3.675 -3.473 -2.056 1.00 0.00 C ATOM 1371 O VAL A 113 4.148 -3.661 -0.936 1.00 0.00 O ATOM 1372 CB VAL A 113 1.252 -2.793 -2.479 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.250 -1.966 -1.192 1.00 0.00 C ATOM 1374 CG2 VAL A 113 1.535 -1.910 -3.697 1.00 0.00 C ATOM 0 H VAL A 113 1.720 -4.528 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 113 2.295 -4.402 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 113 0.259 -3.226 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.526 -1.156 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.980 -2.604 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.243 -1.548 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.806 -1.101 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.538 -1.491 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.463 -2.509 -4.605 1.00 0.00 H new ATOM 1384 N ASN A 114 4.315 -2.870 -3.049 1.00 0.00 N ATOM 1385 CA ASN A 114 5.668 -2.372 -2.874 1.00 0.00 C ATOM 1386 C ASN A 114 5.949 -1.295 -3.924 1.00 0.00 C ATOM 1387 O ASN A 114 5.144 -1.079 -4.827 1.00 0.00 O ATOM 1388 CB ASN A 114 6.695 -3.491 -3.057 1.00 0.00 C ATOM 1389 CG ASN A 114 7.078 -4.108 -1.711 1.00 0.00 C ATOM 1390 OD1 ASN A 114 6.808 -3.568 -0.651 1.00 0.00 O ATOM 1391 ND2 ASN A 114 7.722 -5.268 -1.812 1.00 0.00 N ATOM 0 H ASN A 114 3.920 -2.716 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 114 5.752 -1.968 -1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.286 -4.261 -3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.585 -3.096 -3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.021 -5.760 -0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.916 -5.665 -2.731 1.00 0.00 H new ATOM 1397 N TYR A 115 7.096 -0.649 -3.770 1.00 0.00 N ATOM 1398 CA TYR A 115 7.495 0.399 -4.693 1.00 0.00 C ATOM 1399 C TYR A 115 8.981 0.727 -4.542 1.00 0.00 C ATOM 1400 O TYR A 115 9.781 0.417 -5.424 1.00 0.00 O ATOM 1401 CB TYR A 115 6.672 1.632 -4.312 1.00 0.00 C ATOM 1402 CG TYR A 115 5.613 1.366 -3.240 1.00 0.00 C ATOM 1403 CD1 TYR A 115 4.344 0.967 -3.609 1.00 0.00 C ATOM 1404 CD2 TYR A 115 5.925 1.524 -1.906 1.00 0.00 C ATOM 1405 CE1 TYR A 115 3.346 0.716 -2.600 1.00 0.00 C ATOM 1406 CE2 TYR A 115 4.929 1.274 -0.898 1.00 0.00 C ATOM 1407 CZ TYR A 115 3.688 0.882 -1.295 1.00 0.00 C ATOM 1408 OH TYR A 115 2.746 0.646 -0.342 1.00 0.00 O ATOM 0 H TYR A 115 7.762 -0.832 -3.019 1.00 0.00 H new ATOM 0 HA TYR A 115 7.328 0.086 -5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.347 2.411 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.181 2.019 -5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.099 0.843 -4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.918 1.836 -1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.349 0.403 -2.874 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.161 1.395 0.150 1.00 0.00 H new ATOM 0 HH TYR A 115 2.839 1.303 0.379 1.00 0.00 H new ATOM 1417 N SER A 116 9.307 1.349 -3.419 1.00 0.00 N ATOM 1418 CA SER A 116 10.684 1.722 -3.142 1.00 0.00 C ATOM 1419 C SER A 116 11.525 0.468 -2.896 1.00 0.00 C ATOM 1420 O SER A 116 11.943 -0.200 -3.841 1.00 0.00 O ATOM 1421 CB SER A 116 10.768 2.663 -1.938 1.00 0.00 C ATOM 1422 OG SER A 116 9.957 2.218 -0.855 1.00 0.00 O ATOM 0 H SER A 116 8.641 1.604 -2.690 1.00 0.00 H new ATOM 0 HA SER A 116 11.077 2.251 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.804 2.738 -1.608 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.456 3.663 -2.237 1.00 0.00 H new ATOM 0 HG SER A 116 10.039 2.844 -0.106 1.00 0.00 H new ATOM 1427 N HIS A 117 11.751 0.186 -1.621 1.00 0.00 N ATOM 1428 CA HIS A 117 12.536 -0.975 -1.238 1.00 0.00 C ATOM 1429 C HIS A 117 13.832 -1.008 -2.049 1.00 0.00 C ATOM 1430 O HIS A 117 14.438 -2.066 -2.216 1.00 0.00 O ATOM 1431 CB HIS A 117 11.713 -2.258 -1.382 1.00 0.00 C ATOM 1432 CG HIS A 117 11.048 -2.707 -0.103 1.00 0.00 C ATOM 1433 ND1 HIS A 117 11.598 -2.483 1.147 1.00 0.00 N ATOM 1434 CD2 HIS A 117 9.873 -3.368 0.106 1.00 0.00 C ATOM 1435 CE1 HIS A 117 10.783 -2.991 2.060 1.00 0.00 C ATOM 1436 NE2 HIS A 117 9.715 -3.540 1.413 1.00 0.00 N ATOM 0 H HIS A 117 11.404 0.742 -0.840 1.00 0.00 H new ATOM 0 HA HIS A 117 12.809 -0.903 -0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.948 -2.103 -2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.363 -3.056 -1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.188 -3.696 -0.662 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.937 -2.973 3.129 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.925 -4.006 1.860 1.00 0.00 H new ATOM 1443 N CYS A 118 14.221 0.163 -2.533 1.00 0.00 N ATOM 1444 CA CYS A 118 15.435 0.281 -3.322 1.00 0.00 C ATOM 1445 C CYS A 118 16.418 1.174 -2.561 1.00 0.00 C ATOM 1446 O CYS A 118 17.620 0.913 -2.554 1.00 0.00 O ATOM 1447 CB CYS A 118 15.146 0.818 -4.726 1.00 0.00 C ATOM 1448 SG CYS A 118 15.824 -0.197 -6.090 1.00 0.00 S ATOM 0 H CYS A 118 13.716 1.038 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 118 15.877 -0.705 -3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 118 14.067 0.899 -4.854 1.00 0.00 H new ATOM 0 HB3 CYS A 118 15.553 1.826 -4.805 1.00 0.00 H new ATOM 1452 N GLU A 119 15.869 2.208 -1.940 1.00 0.00 N ATOM 1453 CA GLU A 119 16.683 3.140 -1.178 1.00 0.00 C ATOM 1454 C GLU A 119 17.673 2.380 -0.292 1.00 0.00 C ATOM 1455 O GLU A 119 18.865 2.682 -0.288 1.00 0.00 O ATOM 1456 CB GLU A 119 15.808 4.076 -0.342 1.00 0.00 C ATOM 1457 CG GLU A 119 15.954 5.526 -0.809 1.00 0.00 C ATOM 1458 CD GLU A 119 14.835 5.906 -1.781 1.00 0.00 C ATOM 1459 OE1 GLU A 119 13.698 5.441 -1.547 1.00 0.00 O ATOM 1460 OE2 GLU A 119 15.142 6.651 -2.736 1.00 0.00 O ATOM 0 H GLU A 119 14.871 2.421 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 119 17.249 3.754 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.765 3.769 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.087 3.999 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.933 6.193 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.922 5.660 -1.293 1.00 0.00 H new ATOM 1465 N PRO A 120 17.127 1.382 0.454 1.00 0.00 N ATOM 1466 CA PRO A 120 17.950 0.577 1.341 1.00 0.00 C ATOM 1467 C PRO A 120 18.789 -0.428 0.549 1.00 0.00 C ATOM 1468 O PRO A 120 18.774 -1.623 0.842 1.00 0.00 O ATOM 1469 CB PRO A 120 16.967 -0.089 2.291 1.00 0.00 C ATOM 1470 CG PRO A 120 15.609 -0.001 1.615 1.00 0.00 C ATOM 1471 CD PRO A 120 15.719 0.996 0.474 1.00 0.00 C ATOM 0 HA PRO A 120 18.679 1.170 1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 120 17.245 -1.127 2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.956 0.415 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 120 15.306 -0.978 1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 120 14.848 0.317 2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 120 15.417 0.549 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.074 1.859 0.639 1.00 0.00 H new ATOM 1476 N ILE A 121 19.501 0.093 -0.439 1.00 0.00 N ATOM 1477 CA ILE A 121 20.345 -0.743 -1.276 1.00 0.00 C ATOM 1478 C ILE A 121 21.693 -0.050 -1.486 1.00 0.00 C ATOM 1479 O ILE A 121 21.947 1.008 -0.913 1.00 0.00 O ATOM 1480 CB ILE A 121 19.625 -1.098 -2.578 1.00 0.00 C ATOM 1481 CG1 ILE A 121 19.947 -2.530 -3.011 1.00 0.00 C ATOM 1482 CG2 ILE A 121 19.948 -0.082 -3.677 1.00 0.00 C ATOM 1483 CD1 ILE A 121 18.691 -3.246 -3.511 1.00 0.00 C ATOM 0 H ILE A 121 19.511 1.084 -0.679 1.00 0.00 H new ATOM 0 HA ILE A 121 20.549 -1.694 -0.783 1.00 0.00 H new ATOM 0 HB ILE A 121 18.551 -1.050 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.700 -2.515 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 121 20.374 -3.080 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 121 19.424 -0.357 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 121 19.628 0.911 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 121 21.022 -0.075 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 121 18.947 -4.262 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.950 -3.280 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.280 -2.707 -4.365 1.00 0.00 H new ATOM 1494 N LEU A 122 22.521 -0.676 -2.309 1.00 0.00 N ATOM 1495 CA LEU A 122 23.837 -0.134 -2.603 1.00 0.00 C ATOM 1496 C LEU A 122 24.596 0.088 -1.293 1.00 0.00 C ATOM 1497 O LEU A 122 24.073 -0.189 -0.214 1.00 0.00 O ATOM 1498 CB LEU A 122 23.717 1.126 -3.464 1.00 0.00 C ATOM 1499 CG LEU A 122 23.569 2.446 -2.705 1.00 0.00 C ATOM 1500 CD1 LEU A 122 24.744 3.381 -2.997 1.00 0.00 C ATOM 1501 CD2 LEU A 122 22.222 3.105 -3.011 1.00 0.00 C ATOM 0 H LEU A 122 22.306 -1.554 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 122 24.418 -0.843 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.600 1.193 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.857 1.011 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 122 23.587 2.230 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.614 4.312 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 122 25.674 2.903 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.782 3.595 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.141 4.042 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.150 3.306 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.414 2.437 -2.712 1.00 0.00 H new ATOM 1512 N ASP A 123 25.817 0.583 -1.430 1.00 0.00 N ATOM 1513 CA ASP A 123 26.653 0.844 -0.271 1.00 0.00 C ATOM 1514 C ASP A 123 27.991 1.425 -0.733 1.00 0.00 C ATOM 1515 O ASP A 123 29.038 1.102 -0.175 1.00 0.00 O ATOM 1516 CB ASP A 123 26.940 -0.443 0.504 1.00 0.00 C ATOM 1517 CG ASP A 123 27.165 -0.258 2.005 1.00 0.00 C ATOM 1518 OD1 ASP A 123 28.186 0.375 2.352 1.00 0.00 O ATOM 1519 OD2 ASP A 123 26.312 -0.753 2.773 1.00 0.00 O ATOM 0 H ASP A 123 26.248 0.810 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 123 26.123 1.543 0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 123 26.106 -1.130 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 123 27.823 -0.918 0.076 1.00 0.00 H new ATOM 1523 N ASP A 124 27.913 2.272 -1.750 1.00 0.00 N ATOM 1524 CA ASP A 124 29.105 2.900 -2.293 1.00 0.00 C ATOM 1525 C ASP A 124 28.714 3.783 -3.480 1.00 0.00 C ATOM 1526 O ASP A 124 27.613 3.661 -4.014 1.00 0.00 O ATOM 1527 CB ASP A 124 30.102 1.852 -2.793 1.00 0.00 C ATOM 1528 CG ASP A 124 31.554 2.326 -2.871 1.00 0.00 C ATOM 1529 OD1 ASP A 124 31.796 3.483 -2.466 1.00 0.00 O ATOM 1530 OD2 ASP A 124 32.390 1.521 -3.336 1.00 0.00 O ATOM 0 H ASP A 124 27.043 2.537 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 124 29.567 3.488 -1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 124 30.054 0.984 -2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 124 29.791 1.520 -3.783 1.00 0.00 H new ATOM 1534 N LYS A 125 29.639 4.655 -3.857 1.00 0.00 N ATOM 1535 CA LYS A 125 29.405 5.558 -4.971 1.00 0.00 C ATOM 1536 C LYS A 125 29.728 4.840 -6.282 1.00 0.00 C ATOM 1537 O LYS A 125 30.782 4.221 -6.412 1.00 0.00 O ATOM 1538 CB LYS A 125 30.183 6.861 -4.776 1.00 0.00 C ATOM 1539 CG LYS A 125 29.968 7.809 -5.958 1.00 0.00 C ATOM 1540 CD LYS A 125 28.826 8.787 -5.676 1.00 0.00 C ATOM 1541 CE LYS A 125 27.863 8.860 -6.863 1.00 0.00 C ATOM 1542 NZ LYS A 125 28.261 9.944 -7.788 1.00 0.00 N ATOM 0 H LYS A 125 30.551 4.755 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 125 28.354 5.844 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 125 29.863 7.345 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 125 31.245 6.642 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 125 30.886 8.363 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 125 29.744 7.232 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 125 28.285 8.473 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 125 29.232 9.777 -5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 125 27.856 7.907 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 125 26.848 9.034 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 27.597 9.979 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 28.245 10.854 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 29.221 9.762 -8.143 1.00 0.00 H new ATOM 1552 N GLN A 126 28.800 4.945 -7.222 1.00 0.00 N ATOM 1553 CA GLN A 126 28.972 4.313 -8.519 1.00 0.00 C ATOM 1554 C GLN A 126 29.969 5.105 -9.368 1.00 0.00 C ATOM 1555 O GLN A 126 29.786 6.300 -9.592 1.00 0.00 O ATOM 1556 CB GLN A 126 27.632 4.168 -9.241 1.00 0.00 C ATOM 1557 CG GLN A 126 27.566 2.850 -10.016 1.00 0.00 C ATOM 1558 CD GLN A 126 27.482 3.104 -11.523 1.00 0.00 C ATOM 1559 OE1 GLN A 126 28.469 3.370 -12.189 1.00 0.00 O ATOM 1560 NE2 GLN A 126 26.253 3.006 -12.021 1.00 0.00 N ATOM 0 H GLN A 126 27.926 5.459 -7.111 1.00 0.00 H new ATOM 0 HA GLN A 126 29.373 3.312 -8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 126 26.818 4.209 -8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 126 27.492 5.004 -9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 126 28.447 2.249 -9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 126 26.698 2.276 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 126 25.470 2.780 -11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 126 26.093 3.157 -13.017 1.00 0.00 H new ATOM 1567 N ARG A 127 31.002 4.407 -9.816 1.00 0.00 N ATOM 1568 CA ARG A 127 32.028 5.031 -10.634 1.00 0.00 C ATOM 1569 C ARG A 127 33.004 3.975 -11.158 1.00 0.00 C ATOM 1570 O ARG A 127 33.314 3.011 -10.461 1.00 0.00 O ATOM 1571 CB ARG A 127 32.805 6.082 -9.839 1.00 0.00 C ATOM 1572 CG ARG A 127 33.124 5.577 -8.429 1.00 0.00 C ATOM 1573 CD ARG A 127 34.570 5.899 -8.047 1.00 0.00 C ATOM 1574 NE ARG A 127 34.717 5.894 -6.574 1.00 0.00 N ATOM 1575 CZ ARG A 127 34.130 6.779 -5.758 1.00 0.00 C ATOM 1576 NH1 ARG A 127 33.355 7.747 -6.266 1.00 0.00 N ATOM 1577 NH2 ARG A 127 34.320 6.699 -4.434 1.00 0.00 N ATOM 0 H ARG A 127 31.151 3.416 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 127 31.531 5.520 -11.472 1.00 0.00 H new ATOM 0 HB2 ARG A 127 33.731 6.326 -10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 127 32.222 7.001 -9.777 1.00 0.00 H new ATOM 0 HG2 ARG A 127 32.444 6.036 -7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 127 32.962 4.500 -8.379 1.00 0.00 H new ATOM 0 HD2 ARG A 127 35.244 5.166 -8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 127 34.852 6.874 -8.446 1.00 0.00 H new ATOM 0 HE ARG A 127 35.302 5.171 -6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 127 33.212 7.810 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 127 32.908 8.421 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 127 34.912 5.964 -4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 127 33.873 7.373 -3.813 1.00 0.00 H new ATOM 1588 N LYS A 128 33.460 4.194 -12.383 1.00 0.00 N ATOM 1589 CA LYS A 128 34.394 3.272 -13.008 1.00 0.00 C ATOM 1590 C LYS A 128 35.701 4.007 -13.314 1.00 0.00 C ATOM 1591 O LYS A 128 35.706 5.224 -13.491 1.00 0.00 O ATOM 1592 CB LYS A 128 33.757 2.615 -14.234 1.00 0.00 C ATOM 1593 CG LYS A 128 34.010 1.105 -14.241 1.00 0.00 C ATOM 1594 CD LYS A 128 33.742 0.510 -15.624 1.00 0.00 C ATOM 1595 CE LYS A 128 34.925 0.753 -16.563 1.00 0.00 C ATOM 1596 NZ LYS A 128 34.479 1.462 -17.784 1.00 0.00 N ATOM 0 H LYS A 128 33.201 4.995 -12.959 1.00 0.00 H new ATOM 0 HA LYS A 128 34.638 2.456 -12.328 1.00 0.00 H new ATOM 0 HB2 LYS A 128 32.684 2.808 -14.238 1.00 0.00 H new ATOM 0 HB3 LYS A 128 34.164 3.060 -15.142 1.00 0.00 H new ATOM 0 HG2 LYS A 128 35.041 0.904 -13.948 1.00 0.00 H new ATOM 0 HG3 LYS A 128 33.369 0.622 -13.503 1.00 0.00 H new ATOM 0 HD2 LYS A 128 33.558 -0.561 -15.534 1.00 0.00 H new ATOM 0 HD3 LYS A 128 32.840 0.954 -16.046 1.00 0.00 H new ATOM 0 HE2 LYS A 128 35.688 1.340 -16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 128 35.383 -0.198 -16.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 35.294 1.619 -18.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 33.767 0.887 -18.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 34.063 2.378 -17.521 1.00 0.00 H new ATOM 1606 N TYR A 129 36.777 3.236 -13.367 1.00 0.00 N ATOM 1607 CA TYR A 129 38.087 3.799 -13.648 1.00 0.00 C ATOM 1608 C TYR A 129 38.132 4.413 -15.049 1.00 0.00 C ATOM 1609 O TYR A 129 37.241 4.173 -15.864 1.00 0.00 O ATOM 1610 CB TYR A 129 39.071 2.629 -13.585 1.00 0.00 C ATOM 1611 CG TYR A 129 39.252 2.043 -12.184 1.00 0.00 C ATOM 1612 CD1 TYR A 129 39.674 2.850 -11.147 1.00 0.00 C ATOM 1613 CD2 TYR A 129 38.994 0.706 -11.956 1.00 0.00 C ATOM 1614 CE1 TYR A 129 39.845 2.299 -9.828 1.00 0.00 C ATOM 1615 CE2 TYR A 129 39.165 0.155 -10.637 1.00 0.00 C ATOM 1616 CZ TYR A 129 39.582 0.978 -9.639 1.00 0.00 C ATOM 1617 OH TYR A 129 39.743 0.457 -8.392 1.00 0.00 O ATOM 0 H TYR A 129 36.769 2.227 -13.220 1.00 0.00 H new ATOM 0 HA TYR A 129 38.327 4.587 -12.934 1.00 0.00 H new ATOM 0 HB2 TYR A 129 38.727 1.842 -14.255 1.00 0.00 H new ATOM 0 HB3 TYR A 129 40.040 2.962 -13.956 1.00 0.00 H new ATOM 0 HD1 TYR A 129 39.876 3.896 -11.325 1.00 0.00 H new ATOM 0 HD2 TYR A 129 38.664 0.074 -12.767 1.00 0.00 H new ATOM 0 HE1 TYR A 129 40.174 2.920 -9.008 1.00 0.00 H new ATOM 0 HE2 TYR A 129 38.966 -0.889 -10.445 1.00 0.00 H new ATOM 0 HH TYR A 129 39.518 -0.497 -8.404 1.00 0.00 H new ATOM 1626 N ASP A 130 39.176 5.192 -15.286 1.00 0.00 N ATOM 1627 CA ASP A 130 39.347 5.842 -16.574 1.00 0.00 C ATOM 1628 C ASP A 130 40.840 6.048 -16.841 1.00 0.00 C ATOM 1629 O ASP A 130 41.660 5.921 -15.933 1.00 0.00 O ATOM 1630 CB ASP A 130 38.671 7.213 -16.594 1.00 0.00 C ATOM 1631 CG ASP A 130 38.370 7.766 -17.988 1.00 0.00 C ATOM 1632 OD1 ASP A 130 37.563 7.121 -18.693 1.00 0.00 O ATOM 1633 OD2 ASP A 130 38.952 8.822 -18.319 1.00 0.00 O ATOM 0 H ASP A 130 39.912 5.388 -14.608 1.00 0.00 H new ATOM 0 HA ASP A 130 38.895 5.206 -17.335 1.00 0.00 H new ATOM 0 HB2 ASP A 130 37.737 7.149 -16.036 1.00 0.00 H new ATOM 0 HB3 ASP A 130 39.309 7.923 -16.068 1.00 0.00 H new ATOM 1637 N LEU A 131 41.146 6.361 -18.092 1.00 0.00 N ATOM 1638 CA LEU A 131 42.526 6.586 -18.491 1.00 0.00 C ATOM 1639 C LEU A 131 43.279 5.254 -18.476 1.00 0.00 C ATOM 1640 O LEU A 131 43.301 4.560 -17.460 1.00 0.00 O ATOM 1641 CB LEU A 131 43.167 7.665 -17.616 1.00 0.00 C ATOM 1642 CG LEU A 131 43.938 8.758 -18.358 1.00 0.00 C ATOM 1643 CD1 LEU A 131 42.992 9.849 -18.864 1.00 0.00 C ATOM 1644 CD2 LEU A 131 45.057 9.330 -17.484 1.00 0.00 C ATOM 0 H LEU A 131 40.463 6.464 -18.842 1.00 0.00 H new ATOM 0 HA LEU A 131 42.571 6.967 -19.511 1.00 0.00 H new ATOM 0 HB2 LEU A 131 42.383 8.138 -17.024 1.00 0.00 H new ATOM 0 HB3 LEU A 131 43.847 7.180 -16.915 1.00 0.00 H new ATOM 0 HG LEU A 131 44.410 8.309 -19.232 1.00 0.00 H new ATOM 0 HD11 LEU A 131 43.566 10.614 -19.388 1.00 0.00 H new ATOM 0 HD12 LEU A 131 42.263 9.411 -19.546 1.00 0.00 H new ATOM 0 HD13 LEU A 131 42.472 10.301 -18.019 1.00 0.00 H new ATOM 0 HD21 LEU A 131 45.589 10.105 -18.035 1.00 0.00 H new ATOM 0 HD22 LEU A 131 44.628 9.759 -16.578 1.00 0.00 H new ATOM 0 HD23 LEU A 131 45.751 8.534 -17.215 1.00 0.00 H new ATOM 1655 N HIS A 132 43.879 4.938 -19.614 1.00 0.00 N ATOM 1656 CA HIS A 132 44.632 3.702 -19.745 1.00 0.00 C ATOM 1657 C HIS A 132 45.555 3.790 -20.962 1.00 0.00 C ATOM 1658 O HIS A 132 45.148 3.483 -22.081 1.00 0.00 O ATOM 1659 CB HIS A 132 43.691 2.496 -19.803 1.00 0.00 C ATOM 1660 CG HIS A 132 44.048 1.392 -18.837 1.00 0.00 C ATOM 1661 ND1 HIS A 132 43.203 0.331 -18.565 1.00 0.00 N ATOM 1662 CD2 HIS A 132 45.167 1.196 -18.081 1.00 0.00 C ATOM 1663 CE1 HIS A 132 43.796 -0.462 -17.684 1.00 0.00 C ATOM 1664 NE2 HIS A 132 45.013 0.076 -17.385 1.00 0.00 N ATOM 0 H HIS A 132 43.859 5.516 -20.454 1.00 0.00 H new ATOM 0 HA HIS A 132 45.259 3.560 -18.865 1.00 0.00 H new ATOM 0 HB2 HIS A 132 42.674 2.831 -19.597 1.00 0.00 H new ATOM 0 HB3 HIS A 132 43.694 2.094 -20.816 1.00 0.00 H new ATOM 0 HD2 HIS A 132 46.032 1.843 -18.054 1.00 0.00 H new ATOM 0 HE1 HIS A 132 43.387 -1.374 -17.275 1.00 0.00 H new ATOM 0 HE2 HIS A 132 45.693 -0.317 -16.734 1.00 0.00 H new ATOM 1672 N TYR A 133 46.785 4.212 -20.701 1.00 0.00 N ATOM 1673 CA TYR A 133 47.770 4.344 -21.759 1.00 0.00 C ATOM 1674 C TYR A 133 48.100 2.983 -22.376 1.00 0.00 C ATOM 1675 O TYR A 133 48.659 2.113 -21.708 1.00 0.00 O ATOM 1676 CB TYR A 133 49.029 4.908 -21.096 1.00 0.00 C ATOM 1677 CG TYR A 133 49.843 5.840 -21.996 1.00 0.00 C ATOM 1678 CD1 TYR A 133 50.696 5.313 -22.944 1.00 0.00 C ATOM 1679 CD2 TYR A 133 49.722 7.208 -21.861 1.00 0.00 C ATOM 1680 CE1 TYR A 133 51.462 6.190 -23.791 1.00 0.00 C ATOM 1681 CE2 TYR A 133 50.487 8.085 -22.707 1.00 0.00 C ATOM 1682 CZ TYR A 133 51.320 7.534 -23.631 1.00 0.00 C ATOM 1683 OH TYR A 133 52.042 8.362 -24.431 1.00 0.00 O ATOM 0 H TYR A 133 47.120 4.466 -19.772 1.00 0.00 H new ATOM 0 HA TYR A 133 47.393 4.986 -22.555 1.00 0.00 H new ATOM 0 HB2 TYR A 133 48.741 5.450 -20.195 1.00 0.00 H new ATOM 0 HB3 TYR A 133 49.663 4.079 -20.780 1.00 0.00 H new ATOM 0 HD1 TYR A 133 50.789 4.242 -23.051 1.00 0.00 H new ATOM 0 HD2 TYR A 133 49.053 7.620 -21.120 1.00 0.00 H new ATOM 0 HE1 TYR A 133 52.134 5.790 -24.536 1.00 0.00 H new ATOM 0 HE2 TYR A 133 50.402 9.157 -22.611 1.00 0.00 H new ATOM 0 HH TYR A 133 51.839 9.294 -24.206 1.00 0.00 H new TER 1692 TYR A 133