USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 930 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 -15 HIS : no HE2:sc= 1.05 K(o=2.3,f=-4.1!) USER MOD Set 1.2: A -18 SER OG : rot -126:sc= 1.26 USER MOD Set 2.1: A 74 THR OG1 : rot -170:sc=-0.00135 USER MOD Set 2.2: A 92 ASN : amide:sc= 0.162 K(o=0.16,f=-3.4!) USER MOD Single : A 0 MET CE :methyl 148:sc= -1.61 (180deg=-4.71!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0511 (180deg=-0.42) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -157:sc= 1.24 USER MOD Single : A -1 HIS : no HE2:sc= 0 K(o=0,f=-0.62) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0156 K(o=-0.016,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= -0.0494 (180deg=-0.349) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 24 MET CE :methyl 175:sc= -0.607 (180deg=-0.648) USER MOD Single : A 25 CYS SG : rot 112:sc= -1.37 USER MOD Single : A 33 ASN : amide:sc= -0.61! K(o=-0.61!,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.349 USER MOD Single : A 40 TYR OH : rot -126:sc= 0.69 USER MOD Single : A 42 MET CE :methyl 180:sc= -1.45 (180deg=-1.45) USER MOD Single : A 48 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -130:sc= 0.455 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 95:sc= 0.678 USER MOD Single : A 73 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.94) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.8) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -16 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A -17 SER OG : rot 180:sc= 0 USER MOD Single : A -20 MET CE :methyl 164:sc= -0.121 (180deg=-0.546) USER MOD Single : A -20 MET N :NH3+ -172:sc= 0 (180deg=-0.0665) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -20 127.074 9.732 10.750 1.00 0.00 N ATOM 2 CA MET A -20 126.953 9.302 9.340 1.00 0.00 C ATOM 3 C MET A -20 125.495 9.052 8.981 1.00 0.00 C ATOM 4 O MET A -20 124.899 8.063 9.414 1.00 0.00 O ATOM 5 CB MET A -20 127.773 8.034 9.086 1.00 0.00 C ATOM 6 CG MET A -20 129.277 8.258 9.123 1.00 0.00 C ATOM 7 SD MET A -20 130.215 6.725 8.953 1.00 0.00 S ATOM 8 CE MET A -20 129.664 6.156 7.344 1.00 0.00 C ATOM 0 H1 MET A -20 128.053 10.028 10.940 1.00 0.00 H new ATOM 0 H2 MET A -20 126.431 10.530 10.926 1.00 0.00 H new ATOM 0 H3 MET A -20 126.824 8.941 11.377 1.00 0.00 H new ATOM 0 HA MET A -20 127.342 10.103 8.711 1.00 0.00 H new ATOM 0 HB2 MET A -20 127.508 7.286 9.833 1.00 0.00 H new ATOM 0 HB3 MET A -20 127.500 7.625 8.113 1.00 0.00 H new ATOM 0 HG2 MET A -20 129.558 8.942 8.322 1.00 0.00 H new ATOM 0 HG3 MET A -20 129.545 8.741 10.063 1.00 0.00 H new ATOM 0 HE1 MET A -20 130.347 5.391 6.975 1.00 0.00 H new ATOM 0 HE2 MET A -20 128.661 5.737 7.430 1.00 0.00 H new ATOM 0 HE3 MET A -20 129.648 6.994 6.647 1.00 0.00 H new ATOM 20 N GLY A -19 124.918 9.957 8.204 1.00 0.00 N ATOM 21 CA GLY A -19 123.555 9.783 7.750 1.00 0.00 C ATOM 22 C GLY A -19 123.504 9.010 6.449 1.00 0.00 C ATOM 23 O GLY A -19 124.452 9.056 5.664 1.00 0.00 O ATOM 0 H GLY A -19 125.372 10.811 7.879 1.00 0.00 H new ATOM 0 HA2 GLY A -19 122.980 9.256 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A -19 123.087 10.758 7.615 1.00 0.00 H new ATOM 27 N SER A -18 122.415 8.299 6.216 1.00 0.00 N ATOM 28 CA SER A -18 122.280 7.502 5.012 1.00 0.00 C ATOM 29 C SER A -18 121.547 8.296 3.933 1.00 0.00 C ATOM 30 O SER A -18 120.322 8.244 3.824 1.00 0.00 O ATOM 31 CB SER A -18 121.545 6.192 5.319 1.00 0.00 C ATOM 32 OG SER A -18 121.623 5.287 4.227 1.00 0.00 O ATOM 0 H SER A -18 121.613 8.258 6.845 1.00 0.00 H new ATOM 0 HA SER A -18 123.274 7.255 4.640 1.00 0.00 H new ATOM 0 HB2 SER A -18 121.976 5.731 6.208 1.00 0.00 H new ATOM 0 HB3 SER A -18 120.500 6.403 5.545 1.00 0.00 H new ATOM 0 HG SER A -18 120.721 5.000 3.975 1.00 0.00 H new ATOM 38 N SER A -17 122.306 9.055 3.157 1.00 0.00 N ATOM 39 CA SER A -17 121.743 9.857 2.084 1.00 0.00 C ATOM 40 C SER A -17 121.932 9.156 0.742 1.00 0.00 C ATOM 41 O SER A -17 121.362 9.559 -0.271 1.00 0.00 O ATOM 42 CB SER A -17 122.409 11.233 2.064 1.00 0.00 C ATOM 43 OG SER A -17 122.349 11.838 3.345 1.00 0.00 O ATOM 0 H SER A -17 123.319 9.132 3.252 1.00 0.00 H new ATOM 0 HA SER A -17 120.674 9.983 2.258 1.00 0.00 H new ATOM 0 HB2 SER A -17 123.449 11.135 1.751 1.00 0.00 H new ATOM 0 HB3 SER A -17 121.915 11.871 1.332 1.00 0.00 H new ATOM 0 HG SER A -17 122.782 12.717 3.312 1.00 0.00 H new ATOM 49 N HIS A -16 122.728 8.094 0.746 1.00 0.00 N ATOM 50 CA HIS A -16 123.004 7.344 -0.471 1.00 0.00 C ATOM 51 C HIS A -16 121.860 6.391 -0.794 1.00 0.00 C ATOM 52 O HIS A -16 121.961 5.183 -0.592 1.00 0.00 O ATOM 53 CB HIS A -16 124.324 6.576 -0.350 1.00 0.00 C ATOM 54 CG HIS A -16 125.528 7.464 -0.365 1.00 0.00 C ATOM 55 ND1 HIS A -16 126.216 7.825 0.772 1.00 0.00 N ATOM 56 CD2 HIS A -16 126.158 8.077 -1.394 1.00 0.00 C ATOM 57 CE1 HIS A -16 127.215 8.623 0.445 1.00 0.00 C ATOM 58 NE2 HIS A -16 127.202 8.791 -0.864 1.00 0.00 N ATOM 0 H HIS A -16 123.193 7.733 1.579 1.00 0.00 H new ATOM 0 HA HIS A -16 123.096 8.057 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A -16 124.318 6.000 0.575 1.00 0.00 H new ATOM 0 HB3 HIS A -16 124.397 5.862 -1.170 1.00 0.00 H new ATOM 0 HD2 HIS A -16 125.889 8.015 -2.438 1.00 0.00 H new ATOM 0 HE1 HIS A -16 127.923 9.064 1.132 1.00 0.00 H new ATOM 0 HE2 HIS A -16 127.861 9.360 -1.395 1.00 0.00 H new ATOM 67 N HIS A -15 120.756 6.956 -1.259 1.00 0.00 N ATOM 68 CA HIS A -15 119.601 6.174 -1.675 1.00 0.00 C ATOM 69 C HIS A -15 118.997 6.777 -2.928 1.00 0.00 C ATOM 70 O HIS A -15 118.336 7.811 -2.873 1.00 0.00 O ATOM 71 CB HIS A -15 118.536 6.107 -0.575 1.00 0.00 C ATOM 72 CG HIS A -15 118.925 5.268 0.601 1.00 0.00 C ATOM 73 ND1 HIS A -15 118.775 3.899 0.631 1.00 0.00 N ATOM 74 CD2 HIS A -15 119.468 5.611 1.790 1.00 0.00 C ATOM 75 CE1 HIS A -15 119.206 3.438 1.789 1.00 0.00 C ATOM 76 NE2 HIS A -15 119.632 4.457 2.512 1.00 0.00 N ATOM 0 H HIS A -15 120.635 7.964 -1.358 1.00 0.00 H new ATOM 0 HA HIS A -15 119.943 5.159 -1.877 1.00 0.00 H new ATOM 0 HB2 HIS A -15 118.320 7.118 -0.231 1.00 0.00 H new ATOM 0 HB3 HIS A -15 117.614 5.712 -1.001 1.00 0.00 H new ATOM 0 HD1 HIS A -15 118.391 3.331 -0.124 1.00 0.00 H new ATOM 0 HD2 HIS A -15 119.725 6.609 2.112 1.00 0.00 H new ATOM 0 HE1 HIS A -15 119.210 2.402 2.094 1.00 0.00 H new ATOM 85 N HIS A -14 119.252 6.149 -4.060 1.00 0.00 N ATOM 86 CA HIS A -14 118.712 6.623 -5.322 1.00 0.00 C ATOM 87 C HIS A -14 117.975 5.503 -6.032 1.00 0.00 C ATOM 88 O HIS A -14 118.595 4.679 -6.705 1.00 0.00 O ATOM 89 CB HIS A -14 119.811 7.153 -6.250 1.00 0.00 C ATOM 90 CG HIS A -14 120.541 8.362 -5.750 1.00 0.00 C ATOM 91 ND1 HIS A -14 121.872 8.591 -6.018 1.00 0.00 N ATOM 92 CD2 HIS A -14 120.121 9.422 -5.020 1.00 0.00 C ATOM 93 CE1 HIS A -14 122.239 9.736 -5.475 1.00 0.00 C ATOM 94 NE2 HIS A -14 121.196 10.263 -4.866 1.00 0.00 N ATOM 0 H HIS A -14 119.829 5.311 -4.133 1.00 0.00 H new ATOM 0 HA HIS A -14 118.028 7.439 -5.090 1.00 0.00 H new ATOM 0 HB2 HIS A -14 120.535 6.356 -6.421 1.00 0.00 H new ATOM 0 HB3 HIS A -14 119.365 7.391 -7.216 1.00 0.00 H new ATOM 0 HD2 HIS A -14 119.126 9.577 -4.631 1.00 0.00 H new ATOM 0 HE1 HIS A -14 123.228 10.168 -5.522 1.00 0.00 H new ATOM 0 HE2 HIS A -14 121.188 11.150 -4.363 1.00 0.00 H new ATOM 103 N HIS A -13 116.661 5.450 -5.859 1.00 0.00 N ATOM 104 CA HIS A -13 115.850 4.524 -6.631 1.00 0.00 C ATOM 105 C HIS A -13 115.815 5.032 -8.062 1.00 0.00 C ATOM 106 O HIS A -13 115.969 4.273 -9.017 1.00 0.00 O ATOM 107 CB HIS A -13 114.435 4.409 -6.059 1.00 0.00 C ATOM 108 CG HIS A -13 113.688 3.211 -6.558 1.00 0.00 C ATOM 109 ND1 HIS A -13 113.452 2.100 -5.782 1.00 0.00 N ATOM 110 CD2 HIS A -13 113.129 2.950 -7.761 1.00 0.00 C ATOM 111 CE1 HIS A -13 112.785 1.207 -6.487 1.00 0.00 C ATOM 112 NE2 HIS A -13 112.577 1.696 -7.694 1.00 0.00 N ATOM 0 H HIS A -13 116.141 6.030 -5.200 1.00 0.00 H new ATOM 0 HA HIS A -13 116.284 3.525 -6.590 1.00 0.00 H new ATOM 0 HB2 HIS A -13 114.493 4.365 -4.971 1.00 0.00 H new ATOM 0 HB3 HIS A -13 113.874 5.309 -6.312 1.00 0.00 H new ATOM 0 HD2 HIS A -13 113.119 3.608 -8.617 1.00 0.00 H new ATOM 0 HE1 HIS A -13 112.463 0.238 -6.135 1.00 0.00 H new ATOM 0 HE2 HIS A -13 112.087 1.221 -8.452 1.00 0.00 H new ATOM 121 N HIS A -12 115.610 6.336 -8.185 1.00 0.00 N ATOM 122 CA HIS A -12 115.874 7.046 -9.423 1.00 0.00 C ATOM 123 C HIS A -12 117.349 7.414 -9.442 1.00 0.00 C ATOM 124 O HIS A -12 117.791 8.223 -8.624 1.00 0.00 O ATOM 125 CB HIS A -12 115.025 8.322 -9.528 1.00 0.00 C ATOM 126 CG HIS A -12 113.580 8.095 -9.851 1.00 0.00 C ATOM 127 ND1 HIS A -12 112.967 8.643 -10.956 1.00 0.00 N ATOM 128 CD2 HIS A -12 112.617 7.401 -9.198 1.00 0.00 C ATOM 129 CE1 HIS A -12 111.694 8.301 -10.967 1.00 0.00 C ATOM 130 NE2 HIS A -12 111.452 7.548 -9.912 1.00 0.00 N ATOM 0 H HIS A -12 115.258 6.927 -7.432 1.00 0.00 H new ATOM 0 HA HIS A -12 115.616 6.408 -10.268 1.00 0.00 H new ATOM 0 HB2 HIS A -12 115.090 8.863 -8.584 1.00 0.00 H new ATOM 0 HB3 HIS A -12 115.457 8.966 -10.295 1.00 0.00 H new ATOM 0 HD2 HIS A -12 112.742 6.837 -8.286 1.00 0.00 H new ATOM 0 HE1 HIS A -12 110.970 8.589 -11.715 1.00 0.00 H new ATOM 0 HE2 HIS A -12 110.549 7.142 -9.666 1.00 0.00 H new ATOM 139 N HIS A -11 118.112 6.805 -10.343 1.00 0.00 N ATOM 140 CA HIS A -11 119.559 7.021 -10.388 1.00 0.00 C ATOM 141 C HIS A -11 119.865 8.498 -10.610 1.00 0.00 C ATOM 142 O HIS A -11 120.840 9.033 -10.082 1.00 0.00 O ATOM 143 CB HIS A -11 120.198 6.171 -11.490 1.00 0.00 C ATOM 144 CG HIS A -11 121.676 5.964 -11.314 1.00 0.00 C ATOM 145 ND1 HIS A -11 122.227 4.740 -11.000 1.00 0.00 N ATOM 146 CD2 HIS A -11 122.719 6.823 -11.415 1.00 0.00 C ATOM 147 CE1 HIS A -11 123.538 4.856 -10.914 1.00 0.00 C ATOM 148 NE2 HIS A -11 123.863 6.109 -11.160 1.00 0.00 N ATOM 0 H HIS A -11 117.758 6.161 -11.050 1.00 0.00 H new ATOM 0 HA HIS A -11 119.984 6.716 -9.432 1.00 0.00 H new ATOM 0 HB2 HIS A -11 119.705 5.199 -11.519 1.00 0.00 H new ATOM 0 HB3 HIS A -11 120.019 6.648 -12.454 1.00 0.00 H new ATOM 0 HD2 HIS A -11 122.661 7.875 -11.652 1.00 0.00 H new ATOM 0 HE1 HIS A -11 124.228 4.059 -10.681 1.00 0.00 H new ATOM 0 HE2 HIS A -11 124.810 6.487 -11.161 1.00 0.00 H new ATOM 157 N SER A -10 119.016 9.149 -11.388 1.00 0.00 N ATOM 158 CA SER A -10 119.096 10.584 -11.583 1.00 0.00 C ATOM 159 C SER A -10 117.861 11.243 -10.976 1.00 0.00 C ATOM 160 O SER A -10 116.729 10.826 -11.246 1.00 0.00 O ATOM 161 CB SER A -10 119.205 10.916 -13.076 1.00 0.00 C ATOM 162 OG SER A -10 119.250 12.316 -13.290 1.00 0.00 O ATOM 0 H SER A -10 118.256 8.699 -11.899 1.00 0.00 H new ATOM 0 HA SER A -10 119.988 10.967 -11.087 1.00 0.00 H new ATOM 0 HB2 SER A -10 120.102 10.454 -13.489 1.00 0.00 H new ATOM 0 HB3 SER A -10 118.354 10.492 -13.608 1.00 0.00 H new ATOM 0 HG SER A -10 119.321 12.498 -14.250 1.00 0.00 H new ATOM 168 N SER A -9 118.070 12.249 -10.143 1.00 0.00 N ATOM 169 CA SER A -9 116.962 12.915 -9.485 1.00 0.00 C ATOM 170 C SER A -9 117.218 14.417 -9.408 1.00 0.00 C ATOM 171 O SER A -9 118.369 14.856 -9.346 1.00 0.00 O ATOM 172 CB SER A -9 116.743 12.330 -8.087 1.00 0.00 C ATOM 173 OG SER A -9 115.389 12.463 -7.686 1.00 0.00 O ATOM 0 H SER A -9 118.991 12.619 -9.908 1.00 0.00 H new ATOM 0 HA SER A -9 116.057 12.751 -10.070 1.00 0.00 H new ATOM 0 HB2 SER A -9 117.026 11.277 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A -9 117.389 12.838 -7.371 1.00 0.00 H new ATOM 0 HG SER A -9 115.274 12.081 -6.791 1.00 0.00 H new ATOM 179 N GLY A -8 116.142 15.194 -9.419 1.00 0.00 N ATOM 180 CA GLY A -8 116.265 16.637 -9.431 1.00 0.00 C ATOM 181 C GLY A -8 116.309 17.238 -8.042 1.00 0.00 C ATOM 182 O GLY A -8 116.967 16.708 -7.148 1.00 0.00 O ATOM 0 H GLY A -8 115.183 14.847 -9.420 1.00 0.00 H new ATOM 0 HA2 GLY A -8 117.171 16.915 -9.970 1.00 0.00 H new ATOM 0 HA3 GLY A -8 115.425 17.063 -9.979 1.00 0.00 H new ATOM 186 N LEU A -7 115.594 18.339 -7.859 1.00 0.00 N ATOM 187 CA LEU A -7 115.629 19.080 -6.605 1.00 0.00 C ATOM 188 C LEU A -7 114.808 18.394 -5.517 1.00 0.00 C ATOM 189 O LEU A -7 115.362 17.772 -4.609 1.00 0.00 O ATOM 190 CB LEU A -7 115.119 20.504 -6.824 1.00 0.00 C ATOM 191 CG LEU A -7 115.974 21.359 -7.760 1.00 0.00 C ATOM 192 CD1 LEU A -7 115.293 22.688 -8.040 1.00 0.00 C ATOM 193 CD2 LEU A -7 117.351 21.585 -7.158 1.00 0.00 C ATOM 0 H LEU A -7 114.979 18.741 -8.567 1.00 0.00 H new ATOM 0 HA LEU A -7 116.665 19.111 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A -7 114.107 20.454 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A -7 115.054 21.004 -5.857 1.00 0.00 H new ATOM 0 HG LEU A -7 116.090 20.827 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A -7 115.916 23.283 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU A -7 114.326 22.509 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A -7 115.148 23.227 -7.104 1.00 0.00 H new ATOM 0 HD21 LEU A -7 117.949 22.195 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU A -7 117.250 22.097 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A -7 117.843 20.625 -7.005 1.00 0.00 H new ATOM 205 N VAL A -6 113.491 18.506 -5.611 1.00 0.00 N ATOM 206 CA VAL A -6 112.612 17.975 -4.578 1.00 0.00 C ATOM 207 C VAL A -6 111.697 16.887 -5.130 1.00 0.00 C ATOM 208 O VAL A -6 111.217 16.976 -6.263 1.00 0.00 O ATOM 209 CB VAL A -6 111.755 19.088 -3.927 1.00 0.00 C ATOM 210 CG1 VAL A -6 112.635 20.065 -3.164 1.00 0.00 C ATOM 211 CG2 VAL A -6 110.925 19.823 -4.973 1.00 0.00 C ATOM 0 H VAL A -6 113.009 18.958 -6.388 1.00 0.00 H new ATOM 0 HA VAL A -6 113.257 17.541 -3.814 1.00 0.00 H new ATOM 0 HB VAL A -6 111.070 18.615 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A -6 112.014 20.839 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A -6 113.175 19.533 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A -6 113.348 20.524 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A -6 110.333 20.599 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A -6 111.588 20.279 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL A -6 110.260 19.118 -5.471 1.00 0.00 H new ATOM 221 N PRO A -5 111.476 15.826 -4.344 1.00 0.00 N ATOM 222 CA PRO A -5 110.549 14.761 -4.685 1.00 0.00 C ATOM 223 C PRO A -5 109.128 15.091 -4.239 1.00 0.00 C ATOM 224 O PRO A -5 108.917 15.617 -3.145 1.00 0.00 O ATOM 225 CB PRO A -5 111.088 13.549 -3.907 1.00 0.00 C ATOM 226 CG PRO A -5 112.202 14.062 -3.037 1.00 0.00 C ATOM 227 CD PRO A -5 112.124 15.565 -3.060 1.00 0.00 C ATOM 0 HA PRO A -5 110.489 14.593 -5.760 1.00 0.00 H new ATOM 0 HB2 PRO A -5 110.302 13.095 -3.304 1.00 0.00 H new ATOM 0 HB3 PRO A -5 111.451 12.780 -4.589 1.00 0.00 H new ATOM 0 HG2 PRO A -5 112.100 13.686 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A -5 113.169 13.721 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A -5 111.542 15.954 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A -5 113.111 16.024 -3.002 1.00 0.00 H new ATOM 235 N ARG A -4 108.160 14.785 -5.086 1.00 0.00 N ATOM 236 CA ARG A -4 106.764 15.060 -4.778 1.00 0.00 C ATOM 237 C ARG A -4 106.175 13.886 -4.009 1.00 0.00 C ATOM 238 O ARG A -4 105.295 14.053 -3.163 1.00 0.00 O ATOM 239 CB ARG A -4 105.994 15.327 -6.073 1.00 0.00 C ATOM 240 CG ARG A -4 106.589 16.474 -6.872 1.00 0.00 C ATOM 241 CD ARG A -4 106.014 16.567 -8.274 1.00 0.00 C ATOM 242 NE ARG A -4 106.702 17.593 -9.058 1.00 0.00 N ATOM 243 CZ ARG A -4 107.126 17.424 -10.310 1.00 0.00 C ATOM 244 NH1 ARG A -4 106.879 16.295 -10.958 1.00 0.00 N ATOM 245 NH2 ARG A -4 107.792 18.392 -10.924 1.00 0.00 N ATOM 0 H ARG A -4 108.314 14.346 -5.994 1.00 0.00 H new ATOM 0 HA ARG A -4 106.686 15.949 -4.153 1.00 0.00 H new ATOM 0 HB2 ARG A -4 105.991 14.424 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A -4 104.955 15.554 -5.835 1.00 0.00 H new ATOM 0 HG2 ARG A -4 106.408 17.411 -6.346 1.00 0.00 H new ATOM 0 HG3 ARG A -4 107.670 16.347 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A -4 106.105 15.602 -8.773 1.00 0.00 H new ATOM 0 HD3 ARG A -4 104.950 16.799 -8.220 1.00 0.00 H new ATOM 0 HE ARG A -4 106.868 18.498 -8.617 1.00 0.00 H new ATOM 0 HH11 ARG A -4 106.360 15.546 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A -4 107.207 16.175 -11.916 1.00 0.00 H new ATOM 0 HH21 ARG A -4 107.981 19.269 -10.438 1.00 0.00 H new ATOM 0 HH22 ARG A -4 108.115 18.260 -11.882 1.00 0.00 H new ATOM 259 N GLY A -3 106.678 12.698 -4.321 1.00 0.00 N ATOM 260 CA GLY A -3 106.382 11.517 -3.535 1.00 0.00 C ATOM 261 C GLY A -3 104.931 11.089 -3.585 1.00 0.00 C ATOM 262 O GLY A -3 104.403 10.768 -4.653 1.00 0.00 O ATOM 0 H GLY A -3 107.294 12.531 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A -3 107.005 10.694 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A -3 106.659 11.705 -2.498 1.00 0.00 H new ATOM 266 N SER A -2 104.292 11.096 -2.426 1.00 0.00 N ATOM 267 CA SER A -2 102.961 10.537 -2.265 1.00 0.00 C ATOM 268 C SER A -2 101.883 11.355 -2.972 1.00 0.00 C ATOM 269 O SER A -2 101.535 12.458 -2.551 1.00 0.00 O ATOM 270 CB SER A -2 102.633 10.413 -0.777 1.00 0.00 C ATOM 271 OG SER A -2 103.596 9.608 -0.112 1.00 0.00 O ATOM 0 H SER A -2 104.683 11.490 -1.570 1.00 0.00 H new ATOM 0 HA SER A -2 102.966 9.553 -2.733 1.00 0.00 H new ATOM 0 HB2 SER A -2 102.605 11.403 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A -2 101.641 9.977 -0.654 1.00 0.00 H new ATOM 0 HG SER A -2 103.368 9.543 0.839 1.00 0.00 H new ATOM 277 N HIS A -1 101.372 10.796 -4.056 1.00 0.00 N ATOM 278 CA HIS A -1 100.171 11.297 -4.710 1.00 0.00 C ATOM 279 C HIS A -1 99.092 10.243 -4.548 1.00 0.00 C ATOM 280 O HIS A -1 98.241 10.048 -5.415 1.00 0.00 O ATOM 281 CB HIS A -1 100.430 11.582 -6.193 1.00 0.00 C ATOM 282 CG HIS A -1 101.080 12.908 -6.446 1.00 0.00 C ATOM 283 ND1 HIS A -1 100.585 13.825 -7.344 1.00 0.00 N ATOM 284 CD2 HIS A -1 102.185 13.473 -5.906 1.00 0.00 C ATOM 285 CE1 HIS A -1 101.356 14.896 -7.347 1.00 0.00 C ATOM 286 NE2 HIS A -1 102.335 14.712 -6.480 1.00 0.00 N ATOM 0 H HIS A -1 101.779 9.978 -4.510 1.00 0.00 H new ATOM 0 HA HIS A -1 99.860 12.238 -4.256 1.00 0.00 H new ATOM 0 HB2 HIS A -1 101.063 10.793 -6.601 1.00 0.00 H new ATOM 0 HB3 HIS A -1 99.484 11.542 -6.732 1.00 0.00 H new ATOM 0 HD1 HIS A -1 99.752 13.697 -7.918 1.00 0.00 H new ATOM 0 HD2 HIS A -1 102.830 13.031 -5.161 1.00 0.00 H new ATOM 0 HE1 HIS A -1 101.211 15.776 -7.956 1.00 0.00 H new ATOM 295 N MET A 0 99.161 9.580 -3.397 1.00 0.00 N ATOM 296 CA MET A 0 98.371 8.395 -3.086 1.00 0.00 C ATOM 297 C MET A 0 96.887 8.564 -3.384 1.00 0.00 C ATOM 298 O MET A 0 96.262 9.547 -2.985 1.00 0.00 O ATOM 299 CB MET A 0 98.560 8.036 -1.609 1.00 0.00 C ATOM 300 CG MET A 0 97.730 6.848 -1.157 1.00 0.00 C ATOM 301 SD MET A 0 97.970 6.458 0.583 1.00 0.00 S ATOM 302 CE MET A 0 96.938 5.005 0.742 1.00 0.00 C ATOM 0 H MET A 0 99.782 9.859 -2.638 1.00 0.00 H new ATOM 0 HA MET A 0 98.730 7.594 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 0 99.613 7.821 -1.429 1.00 0.00 H new ATOM 0 HB3 MET A 0 98.302 8.901 -0.998 1.00 0.00 H new ATOM 0 HG2 MET A 0 96.675 7.057 -1.337 1.00 0.00 H new ATOM 0 HG3 MET A 0 97.990 5.978 -1.760 1.00 0.00 H new ATOM 0 HE1 MET A 0 97.365 4.335 1.488 1.00 0.00 H new ATOM 0 HE2 MET A 0 95.936 5.302 1.053 1.00 0.00 H new ATOM 0 HE3 MET A 0 96.883 4.491 -0.218 1.00 0.00 H new ATOM 312 N MET A 1 96.342 7.588 -4.097 1.00 0.00 N ATOM 313 CA MET A 1 94.911 7.496 -4.325 1.00 0.00 C ATOM 314 C MET A 1 94.430 6.094 -3.957 1.00 0.00 C ATOM 315 O MET A 1 94.538 5.164 -4.755 1.00 0.00 O ATOM 316 CB MET A 1 94.568 7.804 -5.786 1.00 0.00 C ATOM 317 CG MET A 1 93.076 7.749 -6.087 1.00 0.00 C ATOM 318 SD MET A 1 92.709 7.947 -7.844 1.00 0.00 S ATOM 319 CE MET A 1 93.355 9.591 -8.145 1.00 0.00 C ATOM 0 H MET A 1 96.881 6.839 -4.532 1.00 0.00 H new ATOM 0 HA MET A 1 94.408 8.233 -3.699 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.945 8.795 -6.038 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.086 7.093 -6.430 1.00 0.00 H new ATOM 0 HG2 MET A 1 92.675 6.796 -5.742 1.00 0.00 H new ATOM 0 HG3 MET A 1 92.567 8.531 -5.524 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.960 9.970 -9.088 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.055 10.254 -7.333 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.443 9.550 -8.198 1.00 0.00 H new ATOM 329 N PHE A 2 93.945 5.942 -2.732 1.00 0.00 N ATOM 330 CA PHE A 2 93.432 4.659 -2.268 1.00 0.00 C ATOM 331 C PHE A 2 92.044 4.434 -2.852 1.00 0.00 C ATOM 332 O PHE A 2 91.084 5.103 -2.473 1.00 0.00 O ATOM 333 CB PHE A 2 93.395 4.635 -0.735 1.00 0.00 C ATOM 334 CG PHE A 2 93.084 3.288 -0.133 1.00 0.00 C ATOM 335 CD1 PHE A 2 93.971 2.228 -0.257 1.00 0.00 C ATOM 336 CD2 PHE A 2 91.909 3.087 0.571 1.00 0.00 C ATOM 337 CE1 PHE A 2 93.689 0.997 0.308 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.622 1.861 1.142 1.00 0.00 C ATOM 339 CZ PHE A 2 92.511 0.813 1.011 1.00 0.00 C ATOM 0 H PHE A 2 93.896 6.691 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 2 94.087 3.855 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 2 94.360 4.973 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 2 92.649 5.352 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 2 94.893 2.366 -0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 2 91.206 3.900 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.387 0.180 0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.702 1.723 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.288 -0.146 1.455 1.00 0.00 H new ATOM 349 N LYS A 3 91.952 3.514 -3.798 1.00 0.00 N ATOM 350 CA LYS A 3 90.723 3.317 -4.555 1.00 0.00 C ATOM 351 C LYS A 3 89.883 2.188 -3.976 1.00 0.00 C ATOM 352 O LYS A 3 90.230 1.020 -4.123 1.00 0.00 O ATOM 353 CB LYS A 3 91.041 2.986 -6.016 1.00 0.00 C ATOM 354 CG LYS A 3 91.897 4.019 -6.728 1.00 0.00 C ATOM 355 CD LYS A 3 92.181 3.590 -8.160 1.00 0.00 C ATOM 356 CE LYS A 3 93.060 4.592 -8.890 1.00 0.00 C ATOM 357 NZ LYS A 3 93.287 4.193 -10.304 1.00 0.00 N ATOM 0 H LYS A 3 92.714 2.890 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 3 90.158 4.247 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 3 91.551 2.023 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.104 2.872 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 3 91.388 4.983 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 3 92.836 4.153 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 3 92.668 2.615 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.240 3.474 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 3 92.593 5.576 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 3 94.018 4.678 -8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 93.891 4.899 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 93.755 3.265 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 92.374 4.136 -10.799 1.00 0.00 H new ATOM 371 N LEU A 4 88.787 2.530 -3.320 1.00 0.00 N ATOM 372 CA LEU A 4 87.816 1.522 -2.914 1.00 0.00 C ATOM 373 C LEU A 4 86.819 1.322 -4.038 1.00 0.00 C ATOM 374 O LEU A 4 86.285 2.296 -4.571 1.00 0.00 O ATOM 375 CB LEU A 4 87.053 1.917 -1.642 1.00 0.00 C ATOM 376 CG LEU A 4 87.877 2.002 -0.357 1.00 0.00 C ATOM 377 CD1 LEU A 4 88.637 3.312 -0.294 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.977 1.848 0.860 1.00 0.00 C ATOM 0 H LEU A 4 88.547 3.486 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 4 88.364 0.605 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 4 86.583 2.886 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 4 86.250 1.196 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 4 88.601 1.188 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 4 89.217 3.352 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 4 89.309 3.384 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.932 4.143 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 4 87.578 1.911 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.231 2.642 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.477 0.880 0.822 1.00 0.00 H new ATOM 390 N THR A 5 86.584 0.079 -4.419 1.00 0.00 N ATOM 391 CA THR A 5 85.563 -0.210 -5.406 1.00 0.00 C ATOM 392 C THR A 5 84.194 0.135 -4.829 1.00 0.00 C ATOM 393 O THR A 5 84.000 0.058 -3.612 1.00 0.00 O ATOM 394 CB THR A 5 85.598 -1.690 -5.844 1.00 0.00 C ATOM 395 OG1 THR A 5 85.501 -2.548 -4.699 1.00 0.00 O ATOM 396 CG2 THR A 5 86.880 -1.995 -6.606 1.00 0.00 C ATOM 0 H THR A 5 87.081 -0.738 -4.064 1.00 0.00 H new ATOM 0 HA THR A 5 85.757 0.397 -6.290 1.00 0.00 H new ATOM 0 HB THR A 5 84.748 -1.871 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.872 -3.428 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.885 -3.043 -6.906 1.00 0.00 H new ATOM 0 HG22 THR A 5 86.935 -1.364 -7.493 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.740 -1.797 -5.966 1.00 0.00 H new ATOM 404 N PRO A 6 83.239 0.552 -5.682 1.00 0.00 N ATOM 405 CA PRO A 6 81.891 0.924 -5.236 1.00 0.00 C ATOM 406 C PRO A 6 81.272 -0.134 -4.328 1.00 0.00 C ATOM 407 O PRO A 6 80.679 0.186 -3.300 1.00 0.00 O ATOM 408 CB PRO A 6 81.106 1.038 -6.543 1.00 0.00 C ATOM 409 CG PRO A 6 82.130 1.397 -7.563 1.00 0.00 C ATOM 410 CD PRO A 6 83.400 0.710 -7.140 1.00 0.00 C ATOM 0 HA PRO A 6 81.892 1.840 -4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.610 0.100 -6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 6 80.330 1.800 -6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 6 81.822 1.070 -8.556 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.269 2.477 -7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 6 83.520 -0.253 -7.637 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.279 1.306 -7.384 1.00 0.00 H new ATOM 418 N ALA A 7 81.451 -1.394 -4.702 1.00 0.00 N ATOM 419 CA ALA A 7 80.901 -2.508 -3.945 1.00 0.00 C ATOM 420 C ALA A 7 81.576 -2.642 -2.580 1.00 0.00 C ATOM 421 O ALA A 7 80.923 -2.963 -1.585 1.00 0.00 O ATOM 422 CB ALA A 7 81.044 -3.794 -4.740 1.00 0.00 C ATOM 0 H ALA A 7 81.977 -1.670 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 7 79.843 -2.313 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 7 80.630 -4.624 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 7 80.506 -3.700 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.099 -3.982 -4.941 1.00 0.00 H new ATOM 428 N ALA A 8 82.882 -2.384 -2.535 1.00 0.00 N ATOM 429 CA ALA A 8 83.636 -2.473 -1.290 1.00 0.00 C ATOM 430 C ALA A 8 83.239 -1.353 -0.335 1.00 0.00 C ATOM 431 O ALA A 8 83.008 -1.590 0.851 1.00 0.00 O ATOM 432 CB ALA A 8 85.132 -2.429 -1.565 1.00 0.00 C ATOM 0 H ALA A 8 83.438 -2.112 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 8 83.398 -3.426 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.677 -2.497 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.409 -3.266 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.383 -1.493 -2.063 1.00 0.00 H new ATOM 438 N ALA A 9 83.161 -0.132 -0.863 1.00 0.00 N ATOM 439 CA ALA A 9 82.724 1.021 -0.083 1.00 0.00 C ATOM 440 C ALA A 9 81.358 0.774 0.555 1.00 0.00 C ATOM 441 O ALA A 9 81.113 1.173 1.696 1.00 0.00 O ATOM 442 CB ALA A 9 82.681 2.264 -0.962 1.00 0.00 C ATOM 0 H ALA A 9 83.396 0.083 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 9 83.444 1.178 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.354 3.118 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 9 83.675 2.461 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 9 81.983 2.104 -1.784 1.00 0.00 H new ATOM 448 N GLU A 10 80.473 0.101 -0.178 1.00 0.00 N ATOM 449 CA GLU A 10 79.142 -0.209 0.330 1.00 0.00 C ATOM 450 C GLU A 10 79.203 -1.189 1.495 1.00 0.00 C ATOM 451 O GLU A 10 78.408 -1.095 2.424 1.00 0.00 O ATOM 452 CB GLU A 10 78.251 -0.784 -0.765 1.00 0.00 C ATOM 453 CG GLU A 10 77.956 0.188 -1.889 1.00 0.00 C ATOM 454 CD GLU A 10 76.969 -0.377 -2.884 1.00 0.00 C ATOM 455 OE1 GLU A 10 77.247 -1.449 -3.460 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.905 0.243 -3.087 1.00 0.00 O ATOM 0 H GLU A 10 80.655 -0.238 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 10 78.714 0.730 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.729 -1.671 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 10 77.310 -1.108 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.560 1.114 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 10 78.884 0.440 -2.403 1.00 0.00 H new ATOM 463 N GLN A 11 80.142 -2.128 1.449 1.00 0.00 N ATOM 464 CA GLN A 11 80.295 -3.095 2.532 1.00 0.00 C ATOM 465 C GLN A 11 80.793 -2.394 3.792 1.00 0.00 C ATOM 466 O GLN A 11 80.402 -2.741 4.908 1.00 0.00 O ATOM 467 CB GLN A 11 81.242 -4.227 2.124 1.00 0.00 C ATOM 468 CG GLN A 11 81.414 -5.296 3.196 1.00 0.00 C ATOM 469 CD GLN A 11 82.131 -6.532 2.687 1.00 0.00 C ATOM 470 OE1 GLN A 11 82.022 -6.885 1.513 1.00 0.00 O ATOM 471 NE2 GLN A 11 82.862 -7.200 3.565 1.00 0.00 N ATOM 0 H GLN A 11 80.804 -2.241 0.681 1.00 0.00 H new ATOM 0 HA GLN A 11 79.322 -3.538 2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.865 -4.694 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.218 -3.804 1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.972 -4.877 4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.434 -5.582 3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 11 82.926 -6.873 4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 11 83.362 -8.042 3.278 1.00 0.00 H new ATOM 480 N VAL A 12 81.643 -1.394 3.602 1.00 0.00 N ATOM 481 CA VAL A 12 82.095 -0.556 4.703 1.00 0.00 C ATOM 482 C VAL A 12 80.914 0.218 5.286 1.00 0.00 C ATOM 483 O VAL A 12 80.723 0.266 6.504 1.00 0.00 O ATOM 484 CB VAL A 12 83.184 0.437 4.244 1.00 0.00 C ATOM 485 CG1 VAL A 12 83.618 1.339 5.389 1.00 0.00 C ATOM 486 CG2 VAL A 12 84.378 -0.308 3.669 1.00 0.00 C ATOM 0 H VAL A 12 82.034 -1.143 2.694 1.00 0.00 H new ATOM 0 HA VAL A 12 82.524 -1.207 5.465 1.00 0.00 H new ATOM 0 HB VAL A 12 82.759 1.066 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 12 84.386 2.029 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 12 82.760 1.905 5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.020 0.731 6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.135 0.409 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 12 84.798 -0.965 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.058 -0.902 2.813 1.00 0.00 H new ATOM 496 N LEU A 13 80.115 0.805 4.396 1.00 0.00 N ATOM 497 CA LEU A 13 78.902 1.516 4.786 1.00 0.00 C ATOM 498 C LEU A 13 77.950 0.580 5.529 1.00 0.00 C ATOM 499 O LEU A 13 77.344 0.956 6.529 1.00 0.00 O ATOM 500 CB LEU A 13 78.208 2.083 3.541 1.00 0.00 C ATOM 501 CG LEU A 13 76.943 2.902 3.807 1.00 0.00 C ATOM 502 CD1 LEU A 13 77.291 4.213 4.491 1.00 0.00 C ATOM 503 CD2 LEU A 13 76.192 3.155 2.509 1.00 0.00 C ATOM 0 H LEU A 13 80.290 0.801 3.391 1.00 0.00 H new ATOM 0 HA LEU A 13 79.176 2.335 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 13 78.920 2.710 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 13 77.951 1.255 2.881 1.00 0.00 H new ATOM 0 HG LEU A 13 76.295 2.332 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 13 76.379 4.782 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 13 77.786 4.008 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 13 77.958 4.791 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 13 75.295 3.739 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 13 76.832 3.705 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.910 2.203 2.060 1.00 0.00 H new ATOM 515 N LYS A 14 77.839 -0.640 5.017 1.00 0.00 N ATOM 516 CA LYS A 14 77.004 -1.678 5.610 1.00 0.00 C ATOM 517 C LYS A 14 77.420 -1.962 7.049 1.00 0.00 C ATOM 518 O LYS A 14 76.587 -1.977 7.955 1.00 0.00 O ATOM 519 CB LYS A 14 77.116 -2.949 4.764 1.00 0.00 C ATOM 520 CG LYS A 14 76.350 -4.146 5.300 1.00 0.00 C ATOM 521 CD LYS A 14 76.588 -5.365 4.425 1.00 0.00 C ATOM 522 CE LYS A 14 75.839 -6.587 4.929 1.00 0.00 C ATOM 523 NZ LYS A 14 76.066 -7.766 4.048 1.00 0.00 N ATOM 0 H LYS A 14 78.329 -0.939 4.174 1.00 0.00 H new ATOM 0 HA LYS A 14 75.970 -1.335 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 14 76.760 -2.730 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.169 -3.219 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.664 -4.358 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.285 -3.918 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.275 -5.144 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.655 -5.583 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.163 -6.821 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.772 -6.367 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.541 -8.583 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.734 -7.550 3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.081 -7.990 4.022 1.00 0.00 H new ATOM 537 N ALA A 15 78.717 -2.174 7.253 1.00 0.00 N ATOM 538 CA ALA A 15 79.249 -2.466 8.578 1.00 0.00 C ATOM 539 C ALA A 15 79.007 -1.307 9.539 1.00 0.00 C ATOM 540 O ALA A 15 78.614 -1.511 10.686 1.00 0.00 O ATOM 541 CB ALA A 15 80.734 -2.782 8.492 1.00 0.00 C ATOM 0 H ALA A 15 79.420 -2.149 6.514 1.00 0.00 H new ATOM 0 HA ALA A 15 78.724 -3.338 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 15 81.118 -2.998 9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 15 80.885 -3.649 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.265 -1.925 8.076 1.00 0.00 H new ATOM 547 N ALA A 16 79.226 -0.089 9.059 1.00 0.00 N ATOM 548 CA ALA A 16 79.040 1.102 9.878 1.00 0.00 C ATOM 549 C ALA A 16 77.561 1.347 10.165 1.00 0.00 C ATOM 550 O ALA A 16 77.206 1.978 11.162 1.00 0.00 O ATOM 551 CB ALA A 16 79.655 2.314 9.195 1.00 0.00 C ATOM 0 H ALA A 16 79.533 0.100 8.105 1.00 0.00 H new ATOM 0 HA ALA A 16 79.546 0.940 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 16 79.508 3.196 9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 16 80.722 2.147 9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.176 2.469 8.228 1.00 0.00 H new ATOM 557 N LYS A 17 76.703 0.845 9.286 1.00 0.00 N ATOM 558 CA LYS A 17 75.262 0.985 9.449 1.00 0.00 C ATOM 559 C LYS A 17 74.746 -0.011 10.481 1.00 0.00 C ATOM 560 O LYS A 17 73.708 0.207 11.108 1.00 0.00 O ATOM 561 CB LYS A 17 74.552 0.774 8.107 1.00 0.00 C ATOM 562 CG LYS A 17 73.050 0.995 8.160 1.00 0.00 C ATOM 563 CD LYS A 17 72.414 0.820 6.791 1.00 0.00 C ATOM 564 CE LYS A 17 70.924 1.119 6.825 1.00 0.00 C ATOM 565 NZ LYS A 17 70.642 2.509 7.274 1.00 0.00 N ATOM 0 H LYS A 17 76.982 0.334 8.448 1.00 0.00 H new ATOM 0 HA LYS A 17 75.049 1.994 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 17 74.983 1.451 7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.747 -0.241 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.602 0.293 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 17 72.841 1.997 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 17 72.902 1.481 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.573 -0.201 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.501 0.967 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 17 70.429 0.415 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.663 2.761 7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 70.769 2.574 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.296 3.166 6.802 1.00 0.00 H new ATOM 579 N GLN A 18 75.479 -1.102 10.655 1.00 0.00 N ATOM 580 CA GLN A 18 75.110 -2.127 11.623 1.00 0.00 C ATOM 581 C GLN A 18 75.193 -1.589 13.047 1.00 0.00 C ATOM 582 O GLN A 18 74.392 -1.956 13.906 1.00 0.00 O ATOM 583 CB GLN A 18 76.005 -3.359 11.472 1.00 0.00 C ATOM 584 CG GLN A 18 75.790 -4.106 10.166 1.00 0.00 C ATOM 585 CD GLN A 18 76.641 -5.357 10.057 1.00 0.00 C ATOM 586 OE1 GLN A 18 77.750 -5.424 10.589 1.00 0.00 O ATOM 587 NE2 GLN A 18 76.124 -6.361 9.369 1.00 0.00 N ATOM 0 H GLN A 18 76.335 -1.301 10.137 1.00 0.00 H new ATOM 0 HA GLN A 18 74.078 -2.417 11.425 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.048 -3.051 11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 18 75.820 -4.038 12.305 1.00 0.00 H new ATOM 0 HG2 GLN A 18 74.738 -4.379 10.078 1.00 0.00 H new ATOM 0 HG3 GLN A 18 76.018 -3.443 9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 18 75.202 -6.266 8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 18 76.647 -7.230 9.264 1.00 0.00 H new ATOM 596 N GLY A 19 76.153 -0.711 13.289 1.00 0.00 N ATOM 597 CA GLY A 19 76.304 -0.119 14.603 1.00 0.00 C ATOM 598 C GLY A 19 77.645 -0.440 15.222 1.00 0.00 C ATOM 599 O GLY A 19 78.316 -1.387 14.805 1.00 0.00 O ATOM 0 H GLY A 19 76.833 -0.396 12.597 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.190 0.962 14.528 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.509 -0.479 15.256 1.00 0.00 H new ATOM 603 N GLY A 20 78.049 0.348 16.207 1.00 0.00 N ATOM 604 CA GLY A 20 79.332 0.137 16.845 1.00 0.00 C ATOM 605 C GLY A 20 80.438 0.864 16.114 1.00 0.00 C ATOM 606 O GLY A 20 81.118 1.713 16.683 1.00 0.00 O ATOM 0 H GLY A 20 77.510 1.131 16.577 1.00 0.00 H new ATOM 0 HA2 GLY A 20 79.288 0.483 17.878 1.00 0.00 H new ATOM 0 HA3 GLY A 20 79.554 -0.930 16.875 1.00 0.00 H new ATOM 610 N THR A 21 80.592 0.546 14.839 1.00 0.00 N ATOM 611 CA THR A 21 81.569 1.205 13.988 1.00 0.00 C ATOM 612 C THR A 21 80.959 2.447 13.343 1.00 0.00 C ATOM 613 O THR A 21 81.507 3.013 12.396 1.00 0.00 O ATOM 614 CB THR A 21 82.061 0.243 12.896 1.00 0.00 C ATOM 615 OG1 THR A 21 80.939 -0.446 12.329 1.00 0.00 O ATOM 616 CG2 THR A 21 83.049 -0.765 13.466 1.00 0.00 C ATOM 0 H THR A 21 80.045 -0.174 14.366 1.00 0.00 H new ATOM 0 HA THR A 21 82.416 1.505 14.605 1.00 0.00 H new ATOM 0 HB THR A 21 82.569 0.821 12.124 1.00 0.00 H new ATOM 0 HG1 THR A 21 81.250 -1.059 11.631 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.383 -1.435 12.674 1.00 0.00 H new ATOM 0 HG22 THR A 21 83.908 -0.238 13.881 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.565 -1.345 14.252 1.00 0.00 H new ATOM 624 N GLU A 22 79.825 2.867 13.890 1.00 0.00 N ATOM 625 CA GLU A 22 79.081 4.005 13.377 1.00 0.00 C ATOM 626 C GLU A 22 79.899 5.289 13.481 1.00 0.00 C ATOM 627 O GLU A 22 80.154 5.789 14.580 1.00 0.00 O ATOM 628 CB GLU A 22 77.774 4.157 14.156 1.00 0.00 C ATOM 629 CG GLU A 22 76.875 5.264 13.639 1.00 0.00 C ATOM 630 CD GLU A 22 75.717 5.547 14.570 1.00 0.00 C ATOM 631 OE1 GLU A 22 74.752 4.755 14.586 1.00 0.00 O ATOM 632 OE2 GLU A 22 75.774 6.560 15.297 1.00 0.00 O ATOM 0 H GLU A 22 79.396 2.425 14.704 1.00 0.00 H new ATOM 0 HA GLU A 22 78.862 3.827 12.324 1.00 0.00 H new ATOM 0 HB2 GLU A 22 77.229 3.214 14.120 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.007 4.351 15.203 1.00 0.00 H new ATOM 0 HG2 GLU A 22 77.462 6.173 13.506 1.00 0.00 H new ATOM 0 HG3 GLU A 22 76.490 4.987 12.658 1.00 0.00 H new ATOM 639 N GLY A 23 80.326 5.802 12.337 1.00 0.00 N ATOM 640 CA GLY A 23 81.023 7.073 12.304 1.00 0.00 C ATOM 641 C GLY A 23 82.491 6.952 12.664 1.00 0.00 C ATOM 642 O GLY A 23 83.147 7.954 12.941 1.00 0.00 O ATOM 0 H GLY A 23 80.202 5.359 11.426 1.00 0.00 H new ATOM 0 HA2 GLY A 23 80.933 7.505 11.307 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.541 7.764 12.995 1.00 0.00 H new ATOM 646 N MET A 24 83.005 5.729 12.668 1.00 0.00 N ATOM 647 CA MET A 24 84.417 5.507 12.953 1.00 0.00 C ATOM 648 C MET A 24 85.227 5.599 11.668 1.00 0.00 C ATOM 649 O MET A 24 84.710 5.325 10.583 1.00 0.00 O ATOM 650 CB MET A 24 84.632 4.145 13.617 1.00 0.00 C ATOM 651 CG MET A 24 83.928 4.002 14.957 1.00 0.00 C ATOM 652 SD MET A 24 84.221 2.399 15.732 1.00 0.00 S ATOM 653 CE MET A 24 85.976 2.500 16.079 1.00 0.00 C ATOM 0 H MET A 24 82.470 4.881 12.479 1.00 0.00 H new ATOM 0 HA MET A 24 84.755 6.279 13.644 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.278 3.363 12.945 1.00 0.00 H new ATOM 0 HB3 MET A 24 85.701 3.984 13.759 1.00 0.00 H new ATOM 0 HG2 MET A 24 84.267 4.792 15.627 1.00 0.00 H new ATOM 0 HG3 MET A 24 82.856 4.142 14.816 1.00 0.00 H new ATOM 0 HE1 MET A 24 86.288 1.618 16.639 1.00 0.00 H new ATOM 0 HE2 MET A 24 86.530 2.549 15.142 1.00 0.00 H new ATOM 0 HE3 MET A 24 86.180 3.394 16.668 1.00 0.00 H new ATOM 663 N CYS A 25 86.487 5.982 11.786 1.00 0.00 N ATOM 664 CA CYS A 25 87.333 6.164 10.617 1.00 0.00 C ATOM 665 C CYS A 25 88.162 4.906 10.375 1.00 0.00 C ATOM 666 O CYS A 25 88.478 4.173 11.312 1.00 0.00 O ATOM 667 CB CYS A 25 88.241 7.382 10.809 1.00 0.00 C ATOM 668 SG CYS A 25 88.964 8.013 9.276 1.00 0.00 S ATOM 0 H CYS A 25 86.947 6.173 12.676 1.00 0.00 H new ATOM 0 HA CYS A 25 86.704 6.339 9.744 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.667 8.179 11.282 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.045 7.118 11.496 1.00 0.00 H new ATOM 0 HG CYS A 25 88.461 9.181 9.008 1.00 0.00 H new ATOM 674 N LEU A 26 88.500 4.649 9.120 1.00 0.00 N ATOM 675 CA LEU A 26 89.222 3.439 8.766 1.00 0.00 C ATOM 676 C LEU A 26 90.720 3.704 8.697 1.00 0.00 C ATOM 677 O LEU A 26 91.191 4.443 7.830 1.00 0.00 O ATOM 678 CB LEU A 26 88.724 2.891 7.423 1.00 0.00 C ATOM 679 CG LEU A 26 89.302 1.529 7.021 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.866 0.453 8.001 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.880 1.159 5.608 1.00 0.00 C ATOM 0 H LEU A 26 88.286 5.261 8.333 1.00 0.00 H new ATOM 0 HA LEU A 26 89.037 2.696 9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.638 2.810 7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.962 3.614 6.643 1.00 0.00 H new ATOM 0 HG LEU A 26 90.389 1.602 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.286 -0.506 7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.220 0.706 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.778 0.386 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.302 0.189 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.792 1.108 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.243 1.914 4.910 1.00 0.00 H new ATOM 693 N ARG A 27 91.464 3.108 9.616 1.00 0.00 N ATOM 694 CA ARG A 27 92.911 3.233 9.618 1.00 0.00 C ATOM 695 C ARG A 27 93.545 1.976 9.038 1.00 0.00 C ATOM 696 O ARG A 27 93.059 0.864 9.260 1.00 0.00 O ATOM 697 CB ARG A 27 93.446 3.497 11.033 1.00 0.00 C ATOM 698 CG ARG A 27 94.964 3.570 11.092 1.00 0.00 C ATOM 699 CD ARG A 27 95.450 4.764 11.894 1.00 0.00 C ATOM 700 NE ARG A 27 95.284 4.588 13.336 1.00 0.00 N ATOM 701 CZ ARG A 27 95.775 5.437 14.238 1.00 0.00 C ATOM 702 NH1 ARG A 27 96.451 6.508 13.845 1.00 0.00 N ATOM 703 NH2 ARG A 27 95.597 5.225 15.536 1.00 0.00 N ATOM 0 H ARG A 27 91.088 2.533 10.370 1.00 0.00 H new ATOM 0 HA ARG A 27 93.178 4.087 8.996 1.00 0.00 H new ATOM 0 HB2 ARG A 27 93.028 4.433 11.404 1.00 0.00 H new ATOM 0 HB3 ARG A 27 93.100 2.707 11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.353 2.654 11.536 1.00 0.00 H new ATOM 0 HG3 ARG A 27 95.363 3.628 10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 27 96.503 4.939 11.674 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.906 5.654 11.577 1.00 0.00 H new ATOM 0 HE ARG A 27 94.766 3.774 13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.596 6.683 12.851 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.826 7.157 14.537 1.00 0.00 H new ATOM 0 HH21 ARG A 27 95.080 4.405 15.853 1.00 0.00 H new ATOM 0 HH22 ARG A 27 95.978 5.882 16.217 1.00 0.00 H new ATOM 717 N LEU A 28 94.617 2.159 8.280 1.00 0.00 N ATOM 718 CA LEU A 28 95.327 1.043 7.678 1.00 0.00 C ATOM 719 C LEU A 28 96.762 0.989 8.186 1.00 0.00 C ATOM 720 O LEU A 28 97.371 2.024 8.467 1.00 0.00 O ATOM 721 CB LEU A 28 95.330 1.163 6.152 1.00 0.00 C ATOM 722 CG LEU A 28 93.953 1.258 5.491 1.00 0.00 C ATOM 723 CD1 LEU A 28 94.100 1.332 3.983 1.00 0.00 C ATOM 724 CD2 LEU A 28 93.082 0.076 5.879 1.00 0.00 C ATOM 0 H LEU A 28 95.014 3.074 8.068 1.00 0.00 H new ATOM 0 HA LEU A 28 94.811 0.125 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.907 2.046 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.852 0.300 5.739 1.00 0.00 H new ATOM 0 HG LEU A 28 93.467 2.168 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.114 1.399 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.685 2.213 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.608 0.437 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 92.109 0.167 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.561 -0.849 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.950 0.061 6.961 1.00 0.00 H new ATOM 736 N ALA A 29 97.291 -0.218 8.300 1.00 0.00 N ATOM 737 CA ALA A 29 98.667 -0.418 8.732 1.00 0.00 C ATOM 738 C ALA A 29 99.342 -1.472 7.863 1.00 0.00 C ATOM 739 O ALA A 29 98.686 -2.394 7.384 1.00 0.00 O ATOM 740 CB ALA A 29 98.713 -0.825 10.198 1.00 0.00 C ATOM 0 H ALA A 29 96.785 -1.081 8.098 1.00 0.00 H new ATOM 0 HA ALA A 29 99.207 0.522 8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.749 -0.970 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 29 98.262 -0.042 10.807 1.00 0.00 H new ATOM 0 HB3 ALA A 29 98.161 -1.755 10.335 1.00 0.00 H new ATOM 746 N ALA A 30 100.646 -1.334 7.663 1.00 0.00 N ATOM 747 CA ALA A 30 101.388 -2.258 6.819 1.00 0.00 C ATOM 748 C ALA A 30 102.628 -2.781 7.537 1.00 0.00 C ATOM 749 O ALA A 30 103.534 -2.016 7.875 1.00 0.00 O ATOM 750 CB ALA A 30 101.775 -1.583 5.512 1.00 0.00 C ATOM 0 H ALA A 30 101.211 -0.591 8.074 1.00 0.00 H new ATOM 0 HA ALA A 30 100.744 -3.109 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.330 -2.286 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.875 -1.265 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 30 102.398 -0.714 5.722 1.00 0.00 H new ATOM 756 N GLY A 31 102.659 -4.085 7.771 1.00 0.00 N ATOM 757 CA GLY A 31 103.787 -4.695 8.449 1.00 0.00 C ATOM 758 C GLY A 31 104.452 -5.760 7.604 1.00 0.00 C ATOM 759 O GLY A 31 103.795 -6.694 7.148 1.00 0.00 O ATOM 0 H GLY A 31 101.920 -4.735 7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 31 104.517 -3.926 8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 31 103.450 -5.135 9.387 1.00 0.00 H new ATOM 763 N ARG A 32 105.750 -5.624 7.380 1.00 0.00 N ATOM 764 CA ARG A 32 106.483 -6.592 6.576 1.00 0.00 C ATOM 765 C ARG A 32 106.904 -7.797 7.410 1.00 0.00 C ATOM 766 O ARG A 32 107.517 -7.657 8.470 1.00 0.00 O ATOM 767 CB ARG A 32 107.704 -5.947 5.918 1.00 0.00 C ATOM 768 CG ARG A 32 107.345 -4.948 4.831 1.00 0.00 C ATOM 769 CD ARG A 32 108.577 -4.425 4.113 1.00 0.00 C ATOM 770 NE ARG A 32 109.371 -5.500 3.515 1.00 0.00 N ATOM 771 CZ ARG A 32 109.588 -5.635 2.206 1.00 0.00 C ATOM 772 NH1 ARG A 32 109.064 -4.771 1.345 1.00 0.00 N ATOM 773 NH2 ARG A 32 110.337 -6.634 1.756 1.00 0.00 N ATOM 0 H ARG A 32 106.316 -4.856 7.741 1.00 0.00 H new ATOM 0 HA ARG A 32 105.812 -6.940 5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 32 108.296 -5.444 6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 32 108.332 -6.728 5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 32 106.678 -5.420 4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 32 106.799 -4.113 5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 32 108.271 -3.726 3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 32 109.196 -3.868 4.817 1.00 0.00 H new ATOM 0 HE ARG A 32 109.785 -6.191 4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 32 108.491 -3.998 1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 32 109.234 -4.880 0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 32 110.747 -7.299 2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 32 110.502 -6.737 0.755 1.00 0.00 H new ATOM 787 N ASN A 33 106.562 -8.978 6.923 1.00 0.00 N ATOM 788 CA ASN A 33 106.896 -10.222 7.604 1.00 0.00 C ATOM 789 C ASN A 33 108.229 -10.760 7.103 1.00 0.00 C ATOM 790 O ASN A 33 108.654 -10.431 5.993 1.00 0.00 O ATOM 791 CB ASN A 33 105.803 -11.275 7.378 1.00 0.00 C ATOM 792 CG ASN A 33 104.490 -10.920 8.044 1.00 0.00 C ATOM 793 OD1 ASN A 33 104.265 -11.245 9.208 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.607 -10.266 7.308 1.00 0.00 N ATOM 0 H ASN A 33 106.049 -9.104 6.051 1.00 0.00 H new ATOM 0 HA ASN A 33 106.970 -10.012 8.671 1.00 0.00 H new ATOM 0 HB2 ASN A 33 105.639 -11.396 6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 33 106.148 -12.236 7.759 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.701 -10.013 7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 33 103.832 -10.014 6.345 1.00 0.00 H new ATOM 801 N PRO A 34 108.905 -11.606 7.904 1.00 0.00 N ATOM 802 CA PRO A 34 110.179 -12.225 7.512 1.00 0.00 C ATOM 803 C PRO A 34 110.031 -13.098 6.265 1.00 0.00 C ATOM 804 O PRO A 34 111.010 -13.405 5.583 1.00 0.00 O ATOM 805 CB PRO A 34 110.559 -13.086 8.723 1.00 0.00 C ATOM 806 CG PRO A 34 109.764 -12.536 9.859 1.00 0.00 C ATOM 807 CD PRO A 34 108.493 -12.014 9.260 1.00 0.00 C ATOM 0 HA PRO A 34 110.931 -11.478 7.259 1.00 0.00 H new ATOM 0 HB2 PRO A 34 110.323 -14.136 8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 34 111.628 -13.029 8.927 1.00 0.00 H new ATOM 0 HG2 PRO A 34 109.558 -13.308 10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 34 110.310 -11.742 10.369 1.00 0.00 H new ATOM 0 HD2 PRO A 34 107.717 -12.779 9.232 1.00 0.00 H new ATOM 0 HD3 PRO A 34 108.094 -11.175 9.830 1.00 0.00 H new ATOM 815 N ASP A 35 108.796 -13.491 5.982 1.00 0.00 N ATOM 816 CA ASP A 35 108.479 -14.285 4.799 1.00 0.00 C ATOM 817 C ASP A 35 108.632 -13.456 3.533 1.00 0.00 C ATOM 818 O ASP A 35 108.806 -13.996 2.442 1.00 0.00 O ATOM 819 CB ASP A 35 107.040 -14.799 4.875 1.00 0.00 C ATOM 820 CG ASP A 35 106.776 -15.651 6.095 1.00 0.00 C ATOM 821 OD1 ASP A 35 106.832 -15.115 7.220 1.00 0.00 O ATOM 822 OD2 ASP A 35 106.488 -16.852 5.934 1.00 0.00 O ATOM 0 H ASP A 35 107.987 -13.270 6.563 1.00 0.00 H new ATOM 0 HA ASP A 35 109.173 -15.125 4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 35 106.357 -13.949 4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 35 106.821 -15.380 3.979 1.00 0.00 H new ATOM 827 N GLY A 36 108.564 -12.143 3.691 1.00 0.00 N ATOM 828 CA GLY A 36 108.565 -11.251 2.550 1.00 0.00 C ATOM 829 C GLY A 36 107.175 -10.716 2.284 1.00 0.00 C ATOM 830 O GLY A 36 106.995 -9.746 1.549 1.00 0.00 O ATOM 0 H GLY A 36 108.508 -11.676 4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 36 109.250 -10.423 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 36 108.930 -11.780 1.670 1.00 0.00 H new ATOM 834 N SER A 37 106.193 -11.352 2.904 1.00 0.00 N ATOM 835 CA SER A 37 104.804 -10.964 2.761 1.00 0.00 C ATOM 836 C SER A 37 104.505 -9.692 3.552 1.00 0.00 C ATOM 837 O SER A 37 104.801 -9.606 4.748 1.00 0.00 O ATOM 838 CB SER A 37 103.908 -12.115 3.223 1.00 0.00 C ATOM 839 OG SER A 37 104.412 -12.700 4.414 1.00 0.00 O ATOM 0 H SER A 37 106.340 -12.152 3.520 1.00 0.00 H new ATOM 0 HA SER A 37 104.602 -10.750 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 37 102.896 -11.748 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 37 103.846 -12.870 2.440 1.00 0.00 H new ATOM 0 HG SER A 37 103.824 -13.432 4.693 1.00 0.00 H new ATOM 845 N ILE A 38 103.946 -8.700 2.881 1.00 0.00 N ATOM 846 CA ILE A 38 103.553 -7.466 3.539 1.00 0.00 C ATOM 847 C ILE A 38 102.119 -7.587 4.034 1.00 0.00 C ATOM 848 O ILE A 38 101.197 -7.787 3.242 1.00 0.00 O ATOM 849 CB ILE A 38 103.675 -6.248 2.602 1.00 0.00 C ATOM 850 CG1 ILE A 38 105.053 -6.226 1.933 1.00 0.00 C ATOM 851 CG2 ILE A 38 103.442 -4.961 3.382 1.00 0.00 C ATOM 852 CD1 ILE A 38 105.231 -5.099 0.936 1.00 0.00 C ATOM 0 H ILE A 38 103.754 -8.725 1.880 1.00 0.00 H new ATOM 0 HA ILE A 38 104.230 -7.307 4.379 1.00 0.00 H new ATOM 0 HB ILE A 38 102.915 -6.327 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 38 105.819 -6.141 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 38 105.215 -7.177 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 38 103.531 -4.107 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.444 -4.976 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 38 104.185 -4.877 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 38 106.231 -5.149 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 38 104.489 -5.194 0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 38 105.102 -4.142 1.442 1.00 0.00 H new ATOM 864 N ASP A 39 101.942 -7.491 5.339 1.00 0.00 N ATOM 865 CA ASP A 39 100.633 -7.638 5.952 1.00 0.00 C ATOM 866 C ASP A 39 99.930 -6.295 6.051 1.00 0.00 C ATOM 867 O ASP A 39 100.375 -5.396 6.775 1.00 0.00 O ATOM 868 CB ASP A 39 100.779 -8.279 7.338 1.00 0.00 C ATOM 869 CG ASP A 39 99.468 -8.364 8.090 1.00 0.00 C ATOM 870 OD1 ASP A 39 98.673 -9.283 7.815 1.00 0.00 O ATOM 871 OD2 ASP A 39 99.238 -7.524 8.983 1.00 0.00 O ATOM 0 H ASP A 39 102.696 -7.310 6.001 1.00 0.00 H new ATOM 0 HA ASP A 39 100.022 -8.288 5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.194 -9.281 7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 39 101.492 -7.702 7.926 1.00 0.00 H new ATOM 876 N TYR A 40 98.851 -6.146 5.298 1.00 0.00 N ATOM 877 CA TYR A 40 98.073 -4.920 5.295 1.00 0.00 C ATOM 878 C TYR A 40 96.834 -5.083 6.173 1.00 0.00 C ATOM 879 O TYR A 40 95.937 -5.866 5.859 1.00 0.00 O ATOM 880 CB TYR A 40 97.653 -4.547 3.868 1.00 0.00 C ATOM 881 CG TYR A 40 98.808 -4.323 2.911 1.00 0.00 C ATOM 882 CD1 TYR A 40 99.466 -3.101 2.860 1.00 0.00 C ATOM 883 CD2 TYR A 40 99.228 -5.330 2.048 1.00 0.00 C ATOM 884 CE1 TYR A 40 100.513 -2.889 1.981 1.00 0.00 C ATOM 885 CE2 TYR A 40 100.276 -5.125 1.168 1.00 0.00 C ATOM 886 CZ TYR A 40 100.914 -3.905 1.136 1.00 0.00 C ATOM 887 OH TYR A 40 101.963 -3.695 0.264 1.00 0.00 O ATOM 0 H TYR A 40 98.492 -6.869 4.675 1.00 0.00 H new ATOM 0 HA TYR A 40 98.695 -4.119 5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 40 97.017 -5.339 3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 40 97.048 -3.641 3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 40 99.155 -2.303 3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 40 98.728 -6.287 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 40 101.015 -1.933 1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 40 100.593 -5.919 0.508 1.00 0.00 H new ATOM 0 HH TYR A 40 101.680 -3.917 -0.648 1.00 0.00 H new ATOM 897 N ARG A 41 96.795 -4.348 7.272 1.00 0.00 N ATOM 898 CA ARG A 41 95.701 -4.452 8.227 1.00 0.00 C ATOM 899 C ARG A 41 94.710 -3.311 8.073 1.00 0.00 C ATOM 900 O ARG A 41 95.099 -2.150 7.943 1.00 0.00 O ATOM 901 CB ARG A 41 96.239 -4.489 9.659 1.00 0.00 C ATOM 902 CG ARG A 41 96.951 -5.786 9.991 1.00 0.00 C ATOM 903 CD ARG A 41 95.993 -6.964 9.937 1.00 0.00 C ATOM 904 NE ARG A 41 96.682 -8.211 9.623 1.00 0.00 N ATOM 905 CZ ARG A 41 96.233 -9.421 9.942 1.00 0.00 C ATOM 906 NH1 ARG A 41 95.144 -9.555 10.688 1.00 0.00 N ATOM 907 NH2 ARG A 41 96.890 -10.492 9.518 1.00 0.00 N ATOM 0 H ARG A 41 97.512 -3.669 7.527 1.00 0.00 H new ATOM 0 HA ARG A 41 95.175 -5.384 8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.927 -3.656 9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.413 -4.346 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 41 97.769 -5.946 9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 41 97.393 -5.718 10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 41 95.484 -7.062 10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 41 95.226 -6.774 9.186 1.00 0.00 H new ATOM 0 HE ARG A 41 97.570 -8.150 9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 41 94.648 -8.728 11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 41 94.803 -10.485 10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 41 97.732 -10.383 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 41 96.554 -11.425 9.757 1.00 0.00 H new ATOM 921 N MET A 42 93.432 -3.658 8.082 1.00 0.00 N ATOM 922 CA MET A 42 92.359 -2.679 8.030 1.00 0.00 C ATOM 923 C MET A 42 91.630 -2.683 9.363 1.00 0.00 C ATOM 924 O MET A 42 91.417 -3.749 9.945 1.00 0.00 O ATOM 925 CB MET A 42 91.363 -3.023 6.917 1.00 0.00 C ATOM 926 CG MET A 42 92.005 -3.444 5.608 1.00 0.00 C ATOM 927 SD MET A 42 90.798 -4.088 4.434 1.00 0.00 S ATOM 928 CE MET A 42 89.654 -2.713 4.342 1.00 0.00 C ATOM 0 H MET A 42 93.111 -4.625 8.126 1.00 0.00 H new ATOM 0 HA MET A 42 92.786 -1.697 7.826 1.00 0.00 H new ATOM 0 HB2 MET A 42 90.713 -3.826 7.264 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.728 -2.156 6.734 1.00 0.00 H new ATOM 0 HG2 MET A 42 92.519 -2.590 5.166 1.00 0.00 H new ATOM 0 HG3 MET A 42 92.761 -4.205 5.804 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.846 -2.957 3.652 1.00 0.00 H new ATOM 0 HE2 MET A 42 89.240 -2.517 5.331 1.00 0.00 H new ATOM 0 HE3 MET A 42 90.179 -1.826 3.987 1.00 0.00 H new ATOM 938 N GLY A 43 91.263 -1.516 9.862 1.00 0.00 N ATOM 939 CA GLY A 43 90.517 -1.464 11.101 1.00 0.00 C ATOM 940 C GLY A 43 89.858 -0.126 11.334 1.00 0.00 C ATOM 941 O GLY A 43 90.465 0.920 11.110 1.00 0.00 O ATOM 0 H GLY A 43 91.465 -0.611 9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.754 -2.243 11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 43 91.187 -1.683 11.932 1.00 0.00 H new ATOM 945 N PHE A 44 88.603 -0.157 11.759 1.00 0.00 N ATOM 946 CA PHE A 44 87.901 1.057 12.140 1.00 0.00 C ATOM 947 C PHE A 44 88.385 1.497 13.510 1.00 0.00 C ATOM 948 O PHE A 44 88.309 0.733 14.473 1.00 0.00 O ATOM 949 CB PHE A 44 86.388 0.834 12.168 1.00 0.00 C ATOM 950 CG PHE A 44 85.807 0.450 10.838 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.476 1.417 9.904 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.588 -0.883 10.523 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.939 1.066 8.682 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.051 -1.241 9.302 1.00 0.00 C ATOM 955 CZ PHE A 44 84.725 -0.267 8.380 1.00 0.00 C ATOM 0 H PHE A 44 88.051 -1.010 11.848 1.00 0.00 H new ATOM 0 HA PHE A 44 88.111 1.831 11.402 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.159 0.053 12.893 1.00 0.00 H new ATOM 0 HB3 PHE A 44 85.902 1.745 12.517 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.640 2.459 10.135 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.840 -1.650 11.241 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.686 1.831 7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.886 -2.283 9.069 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.304 -0.545 7.425 1.00 0.00 H new ATOM 965 N ASP A 45 88.892 2.709 13.597 1.00 0.00 N ATOM 966 CA ASP A 45 89.479 3.189 14.835 1.00 0.00 C ATOM 967 C ASP A 45 89.210 4.677 14.997 1.00 0.00 C ATOM 968 O ASP A 45 88.339 5.237 14.322 1.00 0.00 O ATOM 969 CB ASP A 45 90.986 2.913 14.840 1.00 0.00 C ATOM 970 CG ASP A 45 91.539 2.714 16.238 1.00 0.00 C ATOM 971 OD1 ASP A 45 91.851 3.715 16.913 1.00 0.00 O ATOM 972 OD2 ASP A 45 91.672 1.547 16.663 1.00 0.00 O ATOM 0 H ASP A 45 88.911 3.380 12.829 1.00 0.00 H new ATOM 0 HA ASP A 45 89.025 2.661 15.674 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.191 2.024 14.243 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.505 3.744 14.363 1.00 0.00 H new ATOM 977 N ASP A 46 89.948 5.308 15.896 1.00 0.00 N ATOM 978 CA ASP A 46 89.807 6.731 16.152 1.00 0.00 C ATOM 979 C ASP A 46 90.579 7.520 15.094 1.00 0.00 C ATOM 980 O ASP A 46 91.067 6.944 14.119 1.00 0.00 O ATOM 981 CB ASP A 46 90.320 7.049 17.560 1.00 0.00 C ATOM 982 CG ASP A 46 89.761 8.342 18.114 1.00 0.00 C ATOM 983 OD1 ASP A 46 88.696 8.300 18.762 1.00 0.00 O ATOM 984 OD2 ASP A 46 90.396 9.400 17.922 1.00 0.00 O ATOM 0 H ASP A 46 90.659 4.850 16.466 1.00 0.00 H new ATOM 0 HA ASP A 46 88.757 7.018 16.095 1.00 0.00 H new ATOM 0 HB2 ASP A 46 90.058 6.230 18.230 1.00 0.00 H new ATOM 0 HB3 ASP A 46 91.408 7.109 17.540 1.00 0.00 H new ATOM 989 N LEU A 47 90.707 8.823 15.279 1.00 0.00 N ATOM 990 CA LEU A 47 91.348 9.661 14.282 1.00 0.00 C ATOM 991 C LEU A 47 92.343 10.606 14.946 1.00 0.00 C ATOM 992 O LEU A 47 91.955 11.540 15.650 1.00 0.00 O ATOM 993 CB LEU A 47 90.284 10.449 13.497 1.00 0.00 C ATOM 994 CG LEU A 47 90.717 10.996 12.126 1.00 0.00 C ATOM 995 CD1 LEU A 47 89.496 11.419 11.323 1.00 0.00 C ATOM 996 CD2 LEU A 47 91.673 12.172 12.271 1.00 0.00 C ATOM 0 H LEU A 47 90.377 9.321 16.106 1.00 0.00 H new ATOM 0 HA LEU A 47 91.896 9.028 13.583 1.00 0.00 H new ATOM 0 HB2 LEU A 47 89.419 9.803 13.350 1.00 0.00 H new ATOM 0 HB3 LEU A 47 89.956 11.287 14.112 1.00 0.00 H new ATOM 0 HG LEU A 47 91.241 10.198 11.599 1.00 0.00 H new ATOM 0 HD11 LEU A 47 89.813 11.805 10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 47 88.842 10.559 11.175 1.00 0.00 H new ATOM 0 HD13 LEU A 47 88.956 12.196 11.864 1.00 0.00 H new ATOM 0 HD21 LEU A 47 91.958 12.533 11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 47 91.182 12.974 12.823 1.00 0.00 H new ATOM 0 HD23 LEU A 47 92.564 11.852 12.811 1.00 0.00 H new ATOM 1008 N THR A 48 93.623 10.345 14.738 1.00 0.00 N ATOM 1009 CA THR A 48 94.662 11.239 15.209 1.00 0.00 C ATOM 1010 C THR A 48 95.068 12.212 14.106 1.00 0.00 C ATOM 1011 O THR A 48 95.038 11.874 12.923 1.00 0.00 O ATOM 1012 CB THR A 48 95.890 10.460 15.720 1.00 0.00 C ATOM 1013 OG1 THR A 48 95.962 9.176 15.087 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.824 10.280 17.229 1.00 0.00 C ATOM 0 H THR A 48 93.965 9.520 14.245 1.00 0.00 H new ATOM 0 HA THR A 48 94.257 11.806 16.047 1.00 0.00 H new ATOM 0 HB THR A 48 96.782 11.035 15.473 1.00 0.00 H new ATOM 0 HG1 THR A 48 96.279 9.283 14.166 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.700 9.728 17.568 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.802 11.257 17.711 1.00 0.00 H new ATOM 0 HG23 THR A 48 94.922 9.726 17.490 1.00 0.00 H new ATOM 1022 N GLU A 49 95.444 13.419 14.504 1.00 0.00 N ATOM 1023 CA GLU A 49 95.715 14.506 13.562 1.00 0.00 C ATOM 1024 C GLU A 49 97.004 14.281 12.768 1.00 0.00 C ATOM 1025 O GLU A 49 97.345 15.071 11.887 1.00 0.00 O ATOM 1026 CB GLU A 49 95.798 15.827 14.327 1.00 0.00 C ATOM 1027 CG GLU A 49 94.572 16.102 15.182 1.00 0.00 C ATOM 1028 CD GLU A 49 94.757 17.278 16.115 1.00 0.00 C ATOM 1029 OE1 GLU A 49 95.616 17.195 17.019 1.00 0.00 O ATOM 1030 OE2 GLU A 49 94.039 18.287 15.959 1.00 0.00 O ATOM 0 H GLU A 49 95.571 13.676 15.483 1.00 0.00 H new ATOM 0 HA GLU A 49 94.897 14.535 12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 49 96.682 15.815 14.964 1.00 0.00 H new ATOM 0 HB3 GLU A 49 95.928 16.643 13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 49 93.717 16.291 14.533 1.00 0.00 H new ATOM 0 HG3 GLU A 49 94.337 15.213 15.768 1.00 0.00 H new ATOM 1037 N ASP A 50 97.715 13.207 13.079 1.00 0.00 N ATOM 1038 CA ASP A 50 98.984 12.910 12.419 1.00 0.00 C ATOM 1039 C ASP A 50 98.754 12.176 11.108 1.00 0.00 C ATOM 1040 O ASP A 50 99.509 12.337 10.148 1.00 0.00 O ATOM 1041 CB ASP A 50 99.867 12.041 13.316 1.00 0.00 C ATOM 1042 CG ASP A 50 100.007 12.591 14.718 1.00 0.00 C ATOM 1043 OD1 ASP A 50 100.859 13.472 14.934 1.00 0.00 O ATOM 1044 OD2 ASP A 50 99.264 12.133 15.611 1.00 0.00 O ATOM 0 H ASP A 50 97.437 12.525 13.784 1.00 0.00 H new ATOM 0 HA ASP A 50 99.480 13.860 12.222 1.00 0.00 H new ATOM 0 HB2 ASP A 50 99.447 11.036 13.366 1.00 0.00 H new ATOM 0 HB3 ASP A 50 100.856 11.951 12.866 1.00 0.00 H new ATOM 1049 N ASP A 51 97.703 11.369 11.082 1.00 0.00 N ATOM 1050 CA ASP A 51 97.430 10.482 9.958 1.00 0.00 C ATOM 1051 C ASP A 51 96.950 11.256 8.742 1.00 0.00 C ATOM 1052 O ASP A 51 96.326 12.313 8.866 1.00 0.00 O ATOM 1053 CB ASP A 51 96.372 9.445 10.344 1.00 0.00 C ATOM 1054 CG ASP A 51 96.775 8.615 11.545 1.00 0.00 C ATOM 1055 OD1 ASP A 51 96.765 9.153 12.673 1.00 0.00 O ATOM 1056 OD2 ASP A 51 97.100 7.422 11.372 1.00 0.00 O ATOM 0 H ASP A 51 97.018 11.310 11.835 1.00 0.00 H new ATOM 0 HA ASP A 51 98.364 9.980 9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.432 9.954 10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.191 8.785 9.496 1.00 0.00 H new ATOM 1061 N ILE A 52 97.247 10.721 7.568 1.00 0.00 N ATOM 1062 CA ILE A 52 96.768 11.286 6.321 1.00 0.00 C ATOM 1063 C ILE A 52 95.338 10.829 6.066 1.00 0.00 C ATOM 1064 O ILE A 52 95.088 9.642 5.850 1.00 0.00 O ATOM 1065 CB ILE A 52 97.670 10.876 5.134 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.073 11.466 5.314 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.060 11.320 3.808 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.041 11.101 4.207 1.00 0.00 C ATOM 0 H ILE A 52 97.824 9.887 7.455 1.00 0.00 H new ATOM 0 HA ILE A 52 96.797 12.372 6.407 1.00 0.00 H new ATOM 0 HB ILE A 52 97.748 9.789 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 52 98.995 12.552 5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.480 11.125 6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.713 11.020 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.083 10.854 3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 52 96.948 12.404 3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.011 11.556 4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.151 10.017 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.658 11.466 3.254 1.00 0.00 H new ATOM 1080 N ARG A 53 94.409 11.768 6.121 1.00 0.00 N ATOM 1081 CA ARG A 53 93.002 11.468 5.916 1.00 0.00 C ATOM 1082 C ARG A 53 92.646 11.593 4.437 1.00 0.00 C ATOM 1083 O ARG A 53 92.522 12.696 3.903 1.00 0.00 O ATOM 1084 CB ARG A 53 92.134 12.404 6.763 1.00 0.00 C ATOM 1085 CG ARG A 53 90.642 12.128 6.662 1.00 0.00 C ATOM 1086 CD ARG A 53 89.837 13.209 7.375 1.00 0.00 C ATOM 1087 NE ARG A 53 90.230 14.543 6.925 1.00 0.00 N ATOM 1088 CZ ARG A 53 89.626 15.208 5.944 1.00 0.00 C ATOM 1089 NH1 ARG A 53 88.496 14.750 5.419 1.00 0.00 N ATOM 1090 NH2 ARG A 53 90.137 16.354 5.512 1.00 0.00 N ATOM 0 H ARG A 53 94.606 12.751 6.307 1.00 0.00 H new ATOM 0 HA ARG A 53 92.810 10.442 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.438 12.319 7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 53 92.324 13.433 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 53 90.347 12.082 5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 53 90.418 11.155 7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 53 88.774 13.058 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 53 89.986 13.127 8.452 1.00 0.00 H new ATOM 0 HE ARG A 53 91.017 14.992 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 53 88.086 13.884 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 53 88.038 15.265 4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 53 90.990 16.722 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 53 89.676 16.866 4.760 1.00 0.00 H new ATOM 1104 N LEU A 54 92.508 10.454 3.782 1.00 0.00 N ATOM 1105 CA LEU A 54 92.178 10.405 2.366 1.00 0.00 C ATOM 1106 C LEU A 54 90.705 10.053 2.205 1.00 0.00 C ATOM 1107 O LEU A 54 90.255 9.008 2.665 1.00 0.00 O ATOM 1108 CB LEU A 54 93.081 9.376 1.667 1.00 0.00 C ATOM 1109 CG LEU A 54 93.027 9.348 0.133 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.339 8.821 -0.423 1.00 0.00 C ATOM 1111 CD2 LEU A 54 91.879 8.479 -0.362 1.00 0.00 C ATOM 0 H LEU A 54 92.621 9.537 4.215 1.00 0.00 H new ATOM 0 HA LEU A 54 92.349 11.377 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 54 94.111 9.565 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.818 8.385 2.036 1.00 0.00 H new ATOM 0 HG LEU A 54 92.863 10.367 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 54 94.292 8.804 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 54 95.156 9.469 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.512 7.811 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.867 8.479 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 54 92.012 7.459 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 54 90.935 8.876 0.012 1.00 0.00 H new ATOM 1123 N THR A 55 89.955 10.936 1.565 1.00 0.00 N ATOM 1124 CA THR A 55 88.525 10.734 1.406 1.00 0.00 C ATOM 1125 C THR A 55 88.213 10.049 0.077 1.00 0.00 C ATOM 1126 O THR A 55 88.593 10.532 -0.990 1.00 0.00 O ATOM 1127 CB THR A 55 87.776 12.076 1.492 1.00 0.00 C ATOM 1128 OG1 THR A 55 88.215 12.793 2.657 1.00 0.00 O ATOM 1129 CG2 THR A 55 86.271 11.857 1.570 1.00 0.00 C ATOM 0 H THR A 55 90.312 11.796 1.149 1.00 0.00 H new ATOM 0 HA THR A 55 88.188 10.088 2.216 1.00 0.00 H new ATOM 0 HB THR A 55 87.995 12.652 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.740 13.649 2.713 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.766 12.821 1.630 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.934 11.325 0.680 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.035 11.268 2.456 1.00 0.00 H new ATOM 1137 N SER A 56 87.540 8.914 0.157 1.00 0.00 N ATOM 1138 CA SER A 56 87.152 8.165 -1.024 1.00 0.00 C ATOM 1139 C SER A 56 85.662 8.384 -1.307 1.00 0.00 C ATOM 1140 O SER A 56 85.080 9.374 -0.859 1.00 0.00 O ATOM 1141 CB SER A 56 87.455 6.676 -0.808 1.00 0.00 C ATOM 1142 OG SER A 56 87.304 5.934 -2.007 1.00 0.00 O ATOM 0 H SER A 56 87.249 8.488 1.037 1.00 0.00 H new ATOM 0 HA SER A 56 87.721 8.514 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A 56 88.472 6.562 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 56 86.788 6.275 -0.045 1.00 0.00 H new ATOM 0 HG SER A 56 86.741 5.150 -1.838 1.00 0.00 H new ATOM 1148 N GLU A 57 85.050 7.454 -2.030 1.00 0.00 N ATOM 1149 CA GLU A 57 83.651 7.567 -2.415 1.00 0.00 C ATOM 1150 C GLU A 57 82.734 7.139 -1.276 1.00 0.00 C ATOM 1151 O GLU A 57 82.003 6.152 -1.375 1.00 0.00 O ATOM 1152 CB GLU A 57 83.372 6.733 -3.667 1.00 0.00 C ATOM 1153 CG GLU A 57 84.118 7.222 -4.895 1.00 0.00 C ATOM 1154 CD GLU A 57 83.781 6.425 -6.137 1.00 0.00 C ATOM 1155 OE1 GLU A 57 82.675 6.613 -6.685 1.00 0.00 O ATOM 1156 OE2 GLU A 57 84.627 5.620 -6.582 1.00 0.00 O ATOM 0 H GLU A 57 85.507 6.606 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 57 83.446 8.614 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 57 83.647 5.696 -3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 57 82.302 6.746 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 57 83.880 8.272 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 57 85.191 7.164 -4.711 1.00 0.00 H new ATOM 1163 N GLY A 58 82.806 7.878 -0.185 1.00 0.00 N ATOM 1164 CA GLY A 58 81.934 7.631 0.947 1.00 0.00 C ATOM 1165 C GLY A 58 82.706 7.274 2.199 1.00 0.00 C ATOM 1166 O GLY A 58 82.273 7.564 3.312 1.00 0.00 O ATOM 0 H GLY A 58 83.458 8.652 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.328 8.517 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.246 6.821 0.703 1.00 0.00 H new ATOM 1170 N VAL A 59 83.860 6.653 2.015 1.00 0.00 N ATOM 1171 CA VAL A 59 84.680 6.214 3.134 1.00 0.00 C ATOM 1172 C VAL A 59 85.955 7.043 3.214 1.00 0.00 C ATOM 1173 O VAL A 59 86.555 7.365 2.188 1.00 0.00 O ATOM 1174 CB VAL A 59 85.052 4.720 3.001 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.784 4.226 4.241 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.812 3.878 2.737 1.00 0.00 C ATOM 0 H VAL A 59 84.252 6.441 1.097 1.00 0.00 H new ATOM 0 HA VAL A 59 84.096 6.351 4.044 1.00 0.00 H new ATOM 0 HB VAL A 59 85.725 4.616 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 59 86.034 3.172 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.699 4.802 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.144 4.350 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.097 2.830 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.111 3.994 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.339 4.207 1.811 1.00 0.00 H new ATOM 1186 N GLU A 60 86.355 7.408 4.422 1.00 0.00 N ATOM 1187 CA GLU A 60 87.604 8.122 4.618 1.00 0.00 C ATOM 1188 C GLU A 60 88.645 7.206 5.245 1.00 0.00 C ATOM 1189 O GLU A 60 88.339 6.411 6.137 1.00 0.00 O ATOM 1190 CB GLU A 60 87.397 9.374 5.474 1.00 0.00 C ATOM 1191 CG GLU A 60 86.702 9.115 6.797 1.00 0.00 C ATOM 1192 CD GLU A 60 86.614 10.361 7.648 1.00 0.00 C ATOM 1193 OE1 GLU A 60 85.618 11.106 7.519 1.00 0.00 O ATOM 1194 OE2 GLU A 60 87.547 10.608 8.436 1.00 0.00 O ATOM 0 H GLU A 60 85.834 7.222 5.279 1.00 0.00 H new ATOM 0 HA GLU A 60 87.967 8.444 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 60 88.367 9.831 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.813 10.097 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 60 85.698 8.733 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 60 87.241 8.341 7.343 1.00 0.00 H new ATOM 1201 N ILE A 61 89.866 7.303 4.749 1.00 0.00 N ATOM 1202 CA ILE A 61 90.953 6.451 5.200 1.00 0.00 C ATOM 1203 C ILE A 61 92.019 7.286 5.894 1.00 0.00 C ATOM 1204 O ILE A 61 92.488 8.277 5.339 1.00 0.00 O ATOM 1205 CB ILE A 61 91.606 5.712 4.011 1.00 0.00 C ATOM 1206 CG1 ILE A 61 90.541 5.097 3.094 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.558 4.638 4.512 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.681 4.049 3.761 1.00 0.00 C ATOM 0 H ILE A 61 90.132 7.971 4.026 1.00 0.00 H new ATOM 0 HA ILE A 61 90.536 5.721 5.894 1.00 0.00 H new ATOM 0 HB ILE A 61 92.174 6.440 3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.898 5.893 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 61 91.035 4.651 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 61 93.010 4.127 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.340 5.098 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 61 92.008 3.918 5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 61 88.954 3.665 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.311 3.232 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 61 89.157 4.493 4.607 1.00 0.00 H new ATOM 1220 N VAL A 62 92.396 6.899 7.103 1.00 0.00 N ATOM 1221 CA VAL A 62 93.474 7.575 7.809 1.00 0.00 C ATOM 1222 C VAL A 62 94.688 6.665 7.938 1.00 0.00 C ATOM 1223 O VAL A 62 94.604 5.561 8.477 1.00 0.00 O ATOM 1224 CB VAL A 62 93.046 8.082 9.206 1.00 0.00 C ATOM 1225 CG1 VAL A 62 92.141 9.295 9.076 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.351 6.985 10.005 1.00 0.00 C ATOM 0 H VAL A 62 91.974 6.124 7.614 1.00 0.00 H new ATOM 0 HA VAL A 62 93.736 8.448 7.211 1.00 0.00 H new ATOM 0 HB VAL A 62 93.947 8.371 9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.849 9.639 10.068 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.673 10.092 8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.250 9.025 8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.063 7.373 10.982 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.462 6.653 9.470 1.00 0.00 H new ATOM 0 HG23 VAL A 62 93.031 6.143 10.136 1.00 0.00 H new ATOM 1236 N ILE A 63 95.811 7.117 7.402 1.00 0.00 N ATOM 1237 CA ILE A 63 97.043 6.345 7.445 1.00 0.00 C ATOM 1238 C ILE A 63 98.208 7.230 7.866 1.00 0.00 C ATOM 1239 O ILE A 63 98.479 8.254 7.235 1.00 0.00 O ATOM 1240 CB ILE A 63 97.362 5.707 6.074 1.00 0.00 C ATOM 1241 CG1 ILE A 63 96.165 4.896 5.572 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.599 4.822 6.173 1.00 0.00 C ATOM 1243 CD1 ILE A 63 96.335 4.370 4.164 1.00 0.00 C ATOM 0 H ILE A 63 95.895 8.018 6.931 1.00 0.00 H new ATOM 0 HA ILE A 63 96.901 5.548 8.175 1.00 0.00 H new ATOM 0 HB ILE A 63 97.564 6.505 5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.998 4.056 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 63 95.272 5.520 5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.809 4.381 5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.451 5.422 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.422 4.029 6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.448 3.806 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.472 5.206 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 63 97.208 3.719 4.122 1.00 0.00 H new ATOM 1255 N ALA A 64 98.870 6.850 8.949 1.00 0.00 N ATOM 1256 CA ALA A 64 100.048 7.564 9.416 1.00 0.00 C ATOM 1257 C ALA A 64 101.142 7.549 8.351 1.00 0.00 C ATOM 1258 O ALA A 64 101.381 6.516 7.717 1.00 0.00 O ATOM 1259 CB ALA A 64 100.556 6.956 10.714 1.00 0.00 C ATOM 0 H ALA A 64 98.610 6.048 9.523 1.00 0.00 H new ATOM 0 HA ALA A 64 99.771 8.601 9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 64 101.438 7.501 11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.778 7.020 11.475 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.817 5.911 10.548 1.00 0.00 H new ATOM 1265 N PRO A 65 101.810 8.700 8.142 1.00 0.00 N ATOM 1266 CA PRO A 65 102.852 8.861 7.113 1.00 0.00 C ATOM 1267 C PRO A 65 103.907 7.755 7.133 1.00 0.00 C ATOM 1268 O PRO A 65 104.476 7.413 6.095 1.00 0.00 O ATOM 1269 CB PRO A 65 103.482 10.208 7.464 1.00 0.00 C ATOM 1270 CG PRO A 65 102.394 10.968 8.137 1.00 0.00 C ATOM 1271 CD PRO A 65 101.588 9.950 8.895 1.00 0.00 C ATOM 0 HA PRO A 65 102.430 8.809 6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.343 10.084 8.120 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.834 10.726 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.803 11.722 8.810 1.00 0.00 H new ATOM 0 HG3 PRO A 65 101.775 11.492 7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.924 9.861 9.928 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.532 10.217 8.926 1.00 0.00 H new ATOM 1279 N ASP A 66 104.162 7.202 8.315 1.00 0.00 N ATOM 1280 CA ASP A 66 105.108 6.100 8.466 1.00 0.00 C ATOM 1281 C ASP A 66 104.700 4.907 7.604 1.00 0.00 C ATOM 1282 O ASP A 66 105.508 4.360 6.854 1.00 0.00 O ATOM 1283 CB ASP A 66 105.187 5.670 9.935 1.00 0.00 C ATOM 1284 CG ASP A 66 106.235 4.599 10.178 1.00 0.00 C ATOM 1285 OD1 ASP A 66 105.914 3.402 10.039 1.00 0.00 O ATOM 1286 OD2 ASP A 66 107.384 4.957 10.523 1.00 0.00 O ATOM 0 H ASP A 66 103.724 7.501 9.187 1.00 0.00 H new ATOM 0 HA ASP A 66 106.087 6.448 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 66 105.413 6.540 10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 66 104.213 5.298 10.253 1.00 0.00 H new ATOM 1291 N TYR A 67 103.426 4.539 7.687 1.00 0.00 N ATOM 1292 CA TYR A 67 102.924 3.351 7.009 1.00 0.00 C ATOM 1293 C TYR A 67 102.635 3.631 5.539 1.00 0.00 C ATOM 1294 O TYR A 67 102.593 2.709 4.725 1.00 0.00 O ATOM 1295 CB TYR A 67 101.665 2.834 7.707 1.00 0.00 C ATOM 1296 CG TYR A 67 101.898 2.451 9.151 1.00 0.00 C ATOM 1297 CD1 TYR A 67 102.493 1.241 9.479 1.00 0.00 C ATOM 1298 CD2 TYR A 67 101.530 3.303 10.182 1.00 0.00 C ATOM 1299 CE1 TYR A 67 102.718 0.891 10.797 1.00 0.00 C ATOM 1300 CE2 TYR A 67 101.749 2.961 11.502 1.00 0.00 C ATOM 1301 CZ TYR A 67 102.344 1.754 11.804 1.00 0.00 C ATOM 1302 OH TYR A 67 102.567 1.411 13.118 1.00 0.00 O ATOM 0 H TYR A 67 102.721 5.049 8.219 1.00 0.00 H new ATOM 0 HA TYR A 67 103.698 2.585 7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.892 3.601 7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 67 101.287 1.967 7.165 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.785 0.562 8.692 1.00 0.00 H new ATOM 0 HD2 TYR A 67 101.065 4.249 9.949 1.00 0.00 H new ATOM 0 HE1 TYR A 67 103.184 -0.053 11.036 1.00 0.00 H new ATOM 0 HE2 TYR A 67 101.456 3.635 12.293 1.00 0.00 H new ATOM 0 HH TYR A 67 102.246 2.129 13.703 1.00 0.00 H new ATOM 1312 N VAL A 68 102.453 4.905 5.200 1.00 0.00 N ATOM 1313 CA VAL A 68 102.224 5.309 3.812 1.00 0.00 C ATOM 1314 C VAL A 68 103.401 4.887 2.931 1.00 0.00 C ATOM 1315 O VAL A 68 103.249 4.653 1.733 1.00 0.00 O ATOM 1316 CB VAL A 68 102.010 6.837 3.696 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.739 7.250 2.255 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.872 7.288 4.595 1.00 0.00 C ATOM 0 H VAL A 68 102.459 5.677 5.867 1.00 0.00 H new ATOM 0 HA VAL A 68 101.318 4.808 3.470 1.00 0.00 H new ATOM 0 HB VAL A 68 102.929 7.325 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.593 8.329 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.588 6.971 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.842 6.746 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.738 8.365 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.953 6.780 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 68 101.107 7.043 5.631 1.00 0.00 H new ATOM 1328 N SER A 69 104.571 4.754 3.551 1.00 0.00 N ATOM 1329 CA SER A 69 105.779 4.323 2.856 1.00 0.00 C ATOM 1330 C SER A 69 105.592 2.935 2.234 1.00 0.00 C ATOM 1331 O SER A 69 106.263 2.581 1.264 1.00 0.00 O ATOM 1332 CB SER A 69 106.951 4.288 3.838 1.00 0.00 C ATOM 1333 OG SER A 69 106.984 5.462 4.635 1.00 0.00 O ATOM 0 H SER A 69 104.707 4.941 4.544 1.00 0.00 H new ATOM 0 HA SER A 69 105.985 5.034 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.866 3.411 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 69 107.887 4.191 3.288 1.00 0.00 H new ATOM 0 HG SER A 69 106.512 5.298 5.478 1.00 0.00 H new ATOM 1339 N LEU A 70 104.670 2.159 2.790 1.00 0.00 N ATOM 1340 CA LEU A 70 104.451 0.794 2.345 1.00 0.00 C ATOM 1341 C LEU A 70 103.028 0.609 1.837 1.00 0.00 C ATOM 1342 O LEU A 70 102.630 -0.497 1.490 1.00 0.00 O ATOM 1343 CB LEU A 70 104.722 -0.188 3.487 1.00 0.00 C ATOM 1344 CG LEU A 70 106.160 -0.208 4.011 1.00 0.00 C ATOM 1345 CD1 LEU A 70 106.274 -1.135 5.211 1.00 0.00 C ATOM 1346 CD2 LEU A 70 107.122 -0.640 2.913 1.00 0.00 C ATOM 0 H LEU A 70 104.061 2.456 3.553 1.00 0.00 H new ATOM 0 HA LEU A 70 105.142 0.593 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.055 0.052 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.463 -1.191 3.149 1.00 0.00 H new ATOM 0 HG LEU A 70 106.427 0.801 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 70 107.303 -1.138 5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.612 -0.787 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 70 105.989 -2.146 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 70 108.140 -0.648 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 70 106.857 -1.640 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.059 0.059 2.079 1.00 0.00 H new ATOM 1358 N LEU A 71 102.275 1.694 1.770 1.00 0.00 N ATOM 1359 CA LEU A 71 100.886 1.626 1.352 1.00 0.00 C ATOM 1360 C LEU A 71 100.553 2.850 0.509 1.00 0.00 C ATOM 1361 O LEU A 71 100.116 3.877 1.022 1.00 0.00 O ATOM 1362 CB LEU A 71 99.965 1.534 2.578 1.00 0.00 C ATOM 1363 CG LEU A 71 98.671 0.729 2.385 1.00 0.00 C ATOM 1364 CD1 LEU A 71 97.971 0.532 3.718 1.00 0.00 C ATOM 1365 CD2 LEU A 71 97.738 1.415 1.399 1.00 0.00 C ATOM 0 H LEU A 71 102.603 2.632 2.000 1.00 0.00 H new ATOM 0 HA LEU A 71 100.729 0.731 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 71 100.528 1.089 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 71 99.699 2.545 2.885 1.00 0.00 H new ATOM 0 HG LEU A 71 98.938 -0.245 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 71 97.055 -0.040 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.629 -0.009 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.725 1.503 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 71 96.831 0.822 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.478 2.406 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.235 1.510 0.434 1.00 0.00 H new ATOM 1377 N ASP A 72 100.806 2.734 -0.782 1.00 0.00 N ATOM 1378 CA ASP A 72 100.604 3.837 -1.717 1.00 0.00 C ATOM 1379 C ASP A 72 100.026 3.332 -3.040 1.00 0.00 C ATOM 1380 O ASP A 72 100.409 2.264 -3.518 1.00 0.00 O ATOM 1381 CB ASP A 72 101.935 4.562 -1.952 1.00 0.00 C ATOM 1382 CG ASP A 72 101.932 5.428 -3.197 1.00 0.00 C ATOM 1383 OD1 ASP A 72 101.307 6.509 -3.179 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.573 5.033 -4.194 1.00 0.00 O ATOM 0 H ASP A 72 101.156 1.879 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 72 99.887 4.536 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 72 102.161 5.184 -1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.734 3.825 -2.032 1.00 0.00 H new ATOM 1389 N GLN A 73 99.088 4.104 -3.602 1.00 0.00 N ATOM 1390 CA GLN A 73 98.447 3.791 -4.892 1.00 0.00 C ATOM 1391 C GLN A 73 97.759 2.425 -4.881 1.00 0.00 C ATOM 1392 O GLN A 73 97.575 1.801 -5.929 1.00 0.00 O ATOM 1393 CB GLN A 73 99.467 3.845 -6.035 1.00 0.00 C ATOM 1394 CG GLN A 73 100.053 5.226 -6.278 1.00 0.00 C ATOM 1395 CD GLN A 73 98.994 6.282 -6.526 1.00 0.00 C ATOM 1396 OE1 GLN A 73 97.911 5.996 -7.033 1.00 0.00 O ATOM 1397 NE2 GLN A 73 99.305 7.518 -6.174 1.00 0.00 N ATOM 0 H GLN A 73 98.749 4.967 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 73 97.682 4.550 -5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.279 3.151 -5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 73 98.989 3.498 -6.951 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.654 5.517 -5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 73 100.725 5.184 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 73 100.214 7.716 -5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 73 98.636 8.274 -6.320 1.00 0.00 H new ATOM 1406 N THR A 74 97.349 1.984 -3.706 1.00 0.00 N ATOM 1407 CA THR A 74 96.759 0.668 -3.554 1.00 0.00 C ATOM 1408 C THR A 74 95.247 0.699 -3.799 1.00 0.00 C ATOM 1409 O THR A 74 94.564 1.661 -3.436 1.00 0.00 O ATOM 1410 CB THR A 74 97.055 0.120 -2.149 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.438 0.340 -1.839 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.748 -1.368 -2.063 1.00 0.00 C ATOM 0 H THR A 74 97.414 2.520 -2.841 1.00 0.00 H new ATOM 0 HA THR A 74 97.205 0.011 -4.301 1.00 0.00 H new ATOM 0 HB THR A 74 96.419 0.642 -1.434 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.670 -0.143 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.967 -1.727 -1.058 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.694 -1.536 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 74 97.362 -1.908 -2.783 1.00 0.00 H new ATOM 1420 N THR A 75 94.742 -0.347 -4.439 1.00 0.00 N ATOM 1421 CA THR A 75 93.319 -0.477 -4.703 1.00 0.00 C ATOM 1422 C THR A 75 92.693 -1.474 -3.724 1.00 0.00 C ATOM 1423 O THR A 75 93.334 -2.448 -3.334 1.00 0.00 O ATOM 1424 CB THR A 75 93.086 -0.945 -6.153 1.00 0.00 C ATOM 1425 OG1 THR A 75 93.870 -0.142 -7.046 1.00 0.00 O ATOM 1426 CG2 THR A 75 91.617 -0.842 -6.541 1.00 0.00 C ATOM 0 H THR A 75 95.304 -1.124 -4.787 1.00 0.00 H new ATOM 0 HA THR A 75 92.847 0.496 -4.568 1.00 0.00 H new ATOM 0 HB THR A 75 93.386 -1.991 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.724 -0.440 -7.968 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.488 -1.180 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.020 -1.467 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.290 0.194 -6.456 1.00 0.00 H new ATOM 1434 N LEU A 76 91.459 -1.222 -3.318 1.00 0.00 N ATOM 1435 CA LEU A 76 90.786 -2.072 -2.350 1.00 0.00 C ATOM 1436 C LEU A 76 89.505 -2.657 -2.937 1.00 0.00 C ATOM 1437 O LEU A 76 88.626 -1.920 -3.390 1.00 0.00 O ATOM 1438 CB LEU A 76 90.457 -1.270 -1.090 1.00 0.00 C ATOM 1439 CG LEU A 76 89.902 -2.085 0.077 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.971 -3.015 0.628 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.378 -1.163 1.165 1.00 0.00 C ATOM 0 H LEU A 76 90.902 -0.433 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 76 91.455 -2.893 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.361 -0.760 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 76 89.732 -0.498 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 76 89.073 -2.693 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.561 -3.589 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.300 -3.696 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.820 -2.427 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 76 88.986 -1.759 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.188 -0.531 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.583 -0.537 0.760 1.00 0.00 H new ATOM 1453 N ASP A 77 89.410 -3.980 -2.927 1.00 0.00 N ATOM 1454 CA ASP A 77 88.224 -4.674 -3.418 1.00 0.00 C ATOM 1455 C ASP A 77 87.931 -5.877 -2.529 1.00 0.00 C ATOM 1456 O ASP A 77 88.850 -6.456 -1.951 1.00 0.00 O ATOM 1457 CB ASP A 77 88.429 -5.119 -4.870 1.00 0.00 C ATOM 1458 CG ASP A 77 87.171 -5.693 -5.493 1.00 0.00 C ATOM 1459 OD1 ASP A 77 86.098 -5.066 -5.360 1.00 0.00 O ATOM 1460 OD2 ASP A 77 87.249 -6.770 -6.123 1.00 0.00 O ATOM 0 H ASP A 77 90.144 -4.598 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 77 87.374 -3.993 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.766 -4.268 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.221 -5.867 -4.907 1.00 0.00 H new ATOM 1465 N TYR A 78 86.666 -6.245 -2.402 1.00 0.00 N ATOM 1466 CA TYR A 78 86.294 -7.354 -1.533 1.00 0.00 C ATOM 1467 C TYR A 78 86.097 -8.624 -2.354 1.00 0.00 C ATOM 1468 O TYR A 78 85.447 -8.602 -3.400 1.00 0.00 O ATOM 1469 CB TYR A 78 85.016 -7.030 -0.738 1.00 0.00 C ATOM 1470 CG TYR A 78 83.730 -7.233 -1.515 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.302 -6.303 -2.453 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.953 -8.370 -1.318 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.138 -6.502 -3.172 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.788 -8.573 -2.031 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.386 -7.636 -2.959 1.00 0.00 C ATOM 1476 OH TYR A 78 80.230 -7.840 -3.682 1.00 0.00 O ATOM 0 H TYR A 78 85.885 -5.798 -2.883 1.00 0.00 H new ATOM 0 HA TYR A 78 87.104 -7.514 -0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 78 84.990 -7.654 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.064 -5.994 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 78 83.887 -5.411 -2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.267 -9.108 -0.594 1.00 0.00 H new ATOM 0 HE1 TYR A 78 81.819 -5.770 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 78 81.196 -9.460 -1.863 1.00 0.00 H new ATOM 0 HH TYR A 78 79.820 -8.688 -3.411 1.00 0.00 H new ATOM 1486 N VAL A 79 86.674 -9.719 -1.892 1.00 0.00 N ATOM 1487 CA VAL A 79 86.498 -11.009 -2.543 1.00 0.00 C ATOM 1488 C VAL A 79 86.383 -12.113 -1.502 1.00 0.00 C ATOM 1489 O VAL A 79 87.059 -12.086 -0.470 1.00 0.00 O ATOM 1490 CB VAL A 79 87.660 -11.350 -3.511 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.663 -10.426 -4.718 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.996 -11.286 -2.793 1.00 0.00 C ATOM 0 H VAL A 79 87.271 -9.742 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 79 85.581 -10.941 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 79 87.505 -12.369 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 79 88.490 -10.691 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 79 86.721 -10.529 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 79 87.780 -9.394 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.797 -11.529 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 79 89.150 -10.281 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 79 89.002 -12.002 -1.971 1.00 0.00 H new ATOM 1502 N GLU A 80 85.511 -13.070 -1.756 1.00 0.00 N ATOM 1503 CA GLU A 80 85.383 -14.218 -0.880 1.00 0.00 C ATOM 1504 C GLU A 80 86.506 -15.213 -1.150 1.00 0.00 C ATOM 1505 O GLU A 80 86.374 -16.108 -1.990 1.00 0.00 O ATOM 1506 CB GLU A 80 84.021 -14.893 -1.052 1.00 0.00 C ATOM 1507 CG GLU A 80 83.848 -16.124 -0.178 1.00 0.00 C ATOM 1508 CD GLU A 80 82.527 -16.825 -0.394 1.00 0.00 C ATOM 1509 OE1 GLU A 80 82.337 -17.421 -1.477 1.00 0.00 O ATOM 1510 OE2 GLU A 80 81.684 -16.802 0.521 1.00 0.00 O ATOM 0 H GLU A 80 84.883 -13.075 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 80 85.458 -13.870 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 80 83.235 -14.175 -0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.892 -15.176 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 80 84.660 -16.822 -0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 80 83.931 -15.833 0.869 1.00 0.00 H new ATOM 1517 N LEU A 81 87.630 -15.020 -0.473 1.00 0.00 N ATOM 1518 CA LEU A 81 88.738 -15.960 -0.560 1.00 0.00 C ATOM 1519 C LEU A 81 88.418 -17.196 0.260 1.00 0.00 C ATOM 1520 O LEU A 81 88.757 -18.320 -0.114 1.00 0.00 O ATOM 1521 CB LEU A 81 90.035 -15.319 -0.056 1.00 0.00 C ATOM 1522 CG LEU A 81 90.509 -14.095 -0.841 1.00 0.00 C ATOM 1523 CD1 LEU A 81 91.787 -13.539 -0.233 1.00 0.00 C ATOM 1524 CD2 LEU A 81 90.723 -14.450 -2.305 1.00 0.00 C ATOM 0 H LEU A 81 87.798 -14.223 0.141 1.00 0.00 H new ATOM 0 HA LEU A 81 88.879 -16.240 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 81 89.897 -15.030 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.824 -16.071 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 81 89.737 -13.327 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 81 92.112 -12.668 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 81 91.601 -13.248 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.565 -14.302 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 81 91.060 -13.567 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 81 91.477 -15.234 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.786 -14.804 -2.734 1.00 0.00 H new ATOM 1536 N GLU A 82 87.737 -16.968 1.370 1.00 0.00 N ATOM 1537 CA GLU A 82 87.334 -18.035 2.264 1.00 0.00 C ATOM 1538 C GLU A 82 85.815 -18.127 2.273 1.00 0.00 C ATOM 1539 O GLU A 82 85.141 -17.110 2.411 1.00 0.00 O ATOM 1540 CB GLU A 82 87.855 -17.753 3.672 1.00 0.00 C ATOM 1541 CG GLU A 82 89.333 -17.397 3.702 1.00 0.00 C ATOM 1542 CD GLU A 82 89.812 -17.000 5.080 1.00 0.00 C ATOM 1543 OE1 GLU A 82 89.738 -15.801 5.420 1.00 0.00 O ATOM 1544 OE2 GLU A 82 90.279 -17.888 5.824 1.00 0.00 O ATOM 0 H GLU A 82 87.449 -16.038 1.675 1.00 0.00 H new ATOM 0 HA GLU A 82 87.751 -18.982 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 82 87.282 -16.935 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 82 87.686 -18.629 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 82 89.915 -18.250 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 82 89.519 -16.578 3.008 1.00 0.00 H new ATOM 1551 N PRO A 83 85.258 -19.335 2.103 1.00 0.00 N ATOM 1552 CA PRO A 83 83.805 -19.542 2.047 1.00 0.00 C ATOM 1553 C PRO A 83 83.072 -18.928 3.240 1.00 0.00 C ATOM 1554 O PRO A 83 83.225 -19.376 4.379 1.00 0.00 O ATOM 1555 CB PRO A 83 83.664 -21.066 2.054 1.00 0.00 C ATOM 1556 CG PRO A 83 84.946 -21.565 1.489 1.00 0.00 C ATOM 1557 CD PRO A 83 86.001 -20.599 1.951 1.00 0.00 C ATOM 0 HA PRO A 83 83.362 -19.062 1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 83 83.502 -21.444 3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 83 82.814 -21.388 1.453 1.00 0.00 H new ATOM 0 HG2 PRO A 83 85.161 -22.575 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 83 84.904 -21.607 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 83 86.453 -20.916 2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 83 86.808 -20.507 1.224 1.00 0.00 H new ATOM 1565 N GLY A 84 82.286 -17.891 2.973 1.00 0.00 N ATOM 1566 CA GLY A 84 81.542 -17.231 4.025 1.00 0.00 C ATOM 1567 C GLY A 84 82.262 -16.013 4.572 1.00 0.00 C ATOM 1568 O GLY A 84 81.763 -15.339 5.476 1.00 0.00 O ATOM 0 H GLY A 84 82.152 -17.496 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 84 80.567 -16.931 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 84 81.362 -17.937 4.836 1.00 0.00 H new ATOM 1572 N GLN A 85 83.438 -15.727 4.033 1.00 0.00 N ATOM 1573 CA GLN A 85 84.227 -14.593 4.486 1.00 0.00 C ATOM 1574 C GLN A 85 84.547 -13.653 3.330 1.00 0.00 C ATOM 1575 O GLN A 85 85.399 -13.944 2.488 1.00 0.00 O ATOM 1576 CB GLN A 85 85.518 -15.071 5.157 1.00 0.00 C ATOM 1577 CG GLN A 85 86.371 -13.945 5.730 1.00 0.00 C ATOM 1578 CD GLN A 85 85.632 -13.112 6.763 1.00 0.00 C ATOM 1579 OE1 GLN A 85 84.740 -13.604 7.454 1.00 0.00 O ATOM 1580 NE2 GLN A 85 86.001 -11.848 6.880 1.00 0.00 N ATOM 0 H GLN A 85 83.867 -16.266 3.280 1.00 0.00 H new ATOM 0 HA GLN A 85 83.636 -14.043 5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 85 85.264 -15.765 5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 85 86.109 -15.627 4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 85 87.266 -14.369 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 85 86.703 -13.298 4.918 1.00 0.00 H new ATOM 0 HE21 GLN A 85 86.745 -11.477 6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 85 85.542 -11.244 7.561 1.00 0.00 H new ATOM 1589 N PHE A 86 83.850 -12.528 3.294 1.00 0.00 N ATOM 1590 CA PHE A 86 84.108 -11.504 2.295 1.00 0.00 C ATOM 1591 C PHE A 86 85.282 -10.644 2.738 1.00 0.00 C ATOM 1592 O PHE A 86 85.121 -9.689 3.502 1.00 0.00 O ATOM 1593 CB PHE A 86 82.864 -10.641 2.064 1.00 0.00 C ATOM 1594 CG PHE A 86 81.701 -11.404 1.494 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.627 -11.660 0.136 1.00 0.00 C ATOM 1596 CD2 PHE A 86 80.686 -11.866 2.317 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.562 -12.362 -0.394 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.618 -12.568 1.793 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.556 -12.817 0.435 1.00 0.00 C ATOM 0 H PHE A 86 83.100 -12.301 3.947 1.00 0.00 H new ATOM 0 HA PHE A 86 84.357 -11.988 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.564 -10.190 3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 86 83.119 -9.824 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.411 -11.307 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 86 80.731 -11.675 3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.516 -12.555 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 86 78.832 -12.922 2.444 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.722 -13.366 0.023 1.00 0.00 H new ATOM 1609 N HIS A 87 86.464 -11.005 2.272 1.00 0.00 N ATOM 1610 CA HIS A 87 87.690 -10.360 2.702 1.00 0.00 C ATOM 1611 C HIS A 87 88.161 -9.347 1.667 1.00 0.00 C ATOM 1612 O HIS A 87 88.133 -9.614 0.468 1.00 0.00 O ATOM 1613 CB HIS A 87 88.768 -11.424 2.948 1.00 0.00 C ATOM 1614 CG HIS A 87 90.102 -10.867 3.342 1.00 0.00 C ATOM 1615 ND1 HIS A 87 90.321 -10.206 4.526 1.00 0.00 N ATOM 1616 CD2 HIS A 87 91.286 -10.867 2.689 1.00 0.00 C ATOM 1617 CE1 HIS A 87 91.580 -9.821 4.589 1.00 0.00 C ATOM 1618 NE2 HIS A 87 92.194 -10.211 3.486 1.00 0.00 N ATOM 0 H HIS A 87 86.600 -11.750 1.588 1.00 0.00 H new ATOM 0 HA HIS A 87 87.500 -9.822 3.631 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.424 -12.100 3.731 1.00 0.00 H new ATOM 0 HB3 HIS A 87 88.888 -12.019 2.043 1.00 0.00 H new ATOM 0 HD2 HIS A 87 91.482 -11.302 1.720 1.00 0.00 H new ATOM 0 HE1 HIS A 87 92.033 -9.278 5.405 1.00 0.00 H new ATOM 0 HE2 HIS A 87 93.177 -10.052 3.263 1.00 0.00 H new ATOM 1627 N PHE A 88 88.586 -8.185 2.136 1.00 0.00 N ATOM 1628 CA PHE A 88 89.104 -7.155 1.253 1.00 0.00 C ATOM 1629 C PHE A 88 90.552 -7.453 0.892 1.00 0.00 C ATOM 1630 O PHE A 88 91.350 -7.827 1.754 1.00 0.00 O ATOM 1631 CB PHE A 88 89.015 -5.776 1.912 1.00 0.00 C ATOM 1632 CG PHE A 88 87.614 -5.318 2.206 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.003 -5.638 3.408 1.00 0.00 C ATOM 1634 CD2 PHE A 88 86.912 -4.558 1.285 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.721 -5.209 3.686 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.627 -4.128 1.556 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.032 -4.453 2.758 1.00 0.00 C ATOM 0 H PHE A 88 88.582 -7.932 3.124 1.00 0.00 H new ATOM 0 HA PHE A 88 88.497 -7.150 0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.581 -5.795 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.495 -5.044 1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.537 -6.231 4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.374 -4.298 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.257 -5.464 4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.089 -3.538 0.828 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.028 -4.116 2.973 1.00 0.00 H new ATOM 1647 N ILE A 89 90.884 -7.309 -0.378 1.00 0.00 N ATOM 1648 CA ILE A 89 92.244 -7.522 -0.834 1.00 0.00 C ATOM 1649 C ILE A 89 92.855 -6.217 -1.317 1.00 0.00 C ATOM 1650 O ILE A 89 92.169 -5.376 -1.905 1.00 0.00 O ATOM 1651 CB ILE A 89 92.328 -8.574 -1.961 1.00 0.00 C ATOM 1652 CG1 ILE A 89 91.422 -8.186 -3.136 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.959 -9.949 -1.424 1.00 0.00 C ATOM 1654 CD1 ILE A 89 91.541 -9.109 -4.330 1.00 0.00 C ATOM 0 H ILE A 89 90.228 -7.045 -1.113 1.00 0.00 H new ATOM 0 HA ILE A 89 92.805 -7.900 0.021 1.00 0.00 H new ATOM 0 HB ILE A 89 93.354 -8.609 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 89 90.386 -8.178 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.663 -7.170 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 89 92.022 -10.682 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 89 92.648 -10.225 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.942 -9.926 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.871 -8.770 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.568 -9.099 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 89 91.271 -10.123 -4.035 1.00 0.00 H new ATOM 1666 N PHE A 90 94.136 -6.048 -1.047 1.00 0.00 N ATOM 1667 CA PHE A 90 94.854 -4.867 -1.478 1.00 0.00 C ATOM 1668 C PHE A 90 95.489 -5.107 -2.838 1.00 0.00 C ATOM 1669 O PHE A 90 96.565 -5.694 -2.940 1.00 0.00 O ATOM 1670 CB PHE A 90 95.920 -4.478 -0.450 1.00 0.00 C ATOM 1671 CG PHE A 90 95.352 -3.911 0.821 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.799 -4.742 1.784 1.00 0.00 C ATOM 1673 CD2 PHE A 90 95.372 -2.545 1.052 1.00 0.00 C ATOM 1674 CE1 PHE A 90 94.280 -4.219 2.952 1.00 0.00 C ATOM 1675 CE2 PHE A 90 94.854 -2.018 2.218 1.00 0.00 C ATOM 1676 CZ PHE A 90 94.307 -2.855 3.168 1.00 0.00 C ATOM 0 H PHE A 90 94.702 -6.719 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 90 94.146 -4.043 -1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.519 -5.356 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.593 -3.745 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.774 -5.809 1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 90 95.798 -1.885 0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.853 -4.876 3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 90 94.877 -0.951 2.386 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.900 -2.444 4.080 1.00 0.00 H new ATOM 1686 N LEU A 91 94.796 -4.682 -3.878 1.00 0.00 N ATOM 1687 CA LEU A 91 95.301 -4.799 -5.231 1.00 0.00 C ATOM 1688 C LEU A 91 96.319 -3.707 -5.489 1.00 0.00 C ATOM 1689 O LEU A 91 95.971 -2.569 -5.814 1.00 0.00 O ATOM 1690 CB LEU A 91 94.159 -4.727 -6.243 1.00 0.00 C ATOM 1691 CG LEU A 91 93.182 -5.898 -6.183 1.00 0.00 C ATOM 1692 CD1 LEU A 91 91.967 -5.627 -7.055 1.00 0.00 C ATOM 1693 CD2 LEU A 91 93.867 -7.186 -6.616 1.00 0.00 C ATOM 0 H LEU A 91 93.875 -4.250 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 91 95.786 -5.769 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.606 -3.801 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 91 94.583 -4.675 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 91 92.848 -6.012 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 91 91.283 -6.473 -6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 91 91.461 -4.727 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 91 92.285 -5.486 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.156 -8.011 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 91 94.229 -7.079 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 91 94.707 -7.392 -5.953 1.00 0.00 H new ATOM 1705 N ASN A 92 97.572 -4.051 -5.294 1.00 0.00 N ATOM 1706 CA ASN A 92 98.652 -3.097 -5.443 1.00 0.00 C ATOM 1707 C ASN A 92 99.565 -3.523 -6.585 1.00 0.00 C ATOM 1708 O ASN A 92 100.287 -4.513 -6.478 1.00 0.00 O ATOM 1709 CB ASN A 92 99.429 -2.984 -4.132 1.00 0.00 C ATOM 1710 CG ASN A 92 100.177 -1.676 -4.017 1.00 0.00 C ATOM 1711 OD1 ASN A 92 99.787 -0.667 -4.601 1.00 0.00 O ATOM 1712 ND2 ASN A 92 101.248 -1.675 -3.250 1.00 0.00 N ATOM 0 H ASN A 92 97.871 -4.990 -5.030 1.00 0.00 H new ATOM 0 HA ASN A 92 98.241 -2.116 -5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 92 98.738 -3.079 -3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 92 100.135 -3.811 -4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.785 -0.817 -3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 92 101.541 -2.533 -2.782 1.00 0.00 H new ATOM 1719 N PRO A 93 99.541 -2.767 -7.695 1.00 0.00 N ATOM 1720 CA PRO A 93 100.227 -3.135 -8.946 1.00 0.00 C ATOM 1721 C PRO A 93 101.741 -3.292 -8.801 1.00 0.00 C ATOM 1722 O PRO A 93 102.378 -3.969 -9.607 1.00 0.00 O ATOM 1723 CB PRO A 93 99.906 -1.971 -9.890 1.00 0.00 C ATOM 1724 CG PRO A 93 99.503 -0.847 -9.002 1.00 0.00 C ATOM 1725 CD PRO A 93 98.837 -1.481 -7.818 1.00 0.00 C ATOM 0 HA PRO A 93 99.888 -4.109 -9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 93 100.773 -1.704 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 93 99.105 -2.234 -10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 93 100.369 -0.261 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 93 98.823 -0.167 -9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 93 98.946 -0.873 -6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 93 97.768 -1.619 -7.982 1.00 0.00 H new ATOM 1733 N ARG A 94 102.315 -2.663 -7.784 1.00 0.00 N ATOM 1734 CA ARG A 94 103.754 -2.742 -7.561 1.00 0.00 C ATOM 1735 C ARG A 94 104.125 -4.067 -6.891 1.00 0.00 C ATOM 1736 O ARG A 94 105.245 -4.559 -7.042 1.00 0.00 O ATOM 1737 CB ARG A 94 104.230 -1.584 -6.678 1.00 0.00 C ATOM 1738 CG ARG A 94 103.639 -1.643 -5.286 1.00 0.00 C ATOM 1739 CD ARG A 94 104.491 -0.935 -4.250 1.00 0.00 C ATOM 1740 NE ARG A 94 104.291 -1.547 -2.939 1.00 0.00 N ATOM 1741 CZ ARG A 94 103.949 -0.893 -1.833 1.00 0.00 C ATOM 1742 NH1 ARG A 94 103.815 0.431 -1.841 1.00 0.00 N ATOM 1743 NH2 ARG A 94 103.711 -1.582 -0.725 1.00 0.00 N ATOM 0 H ARG A 94 101.810 -2.095 -7.103 1.00 0.00 H new ATOM 0 HA ARG A 94 104.243 -2.679 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 94 105.318 -1.605 -6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 94 103.958 -0.638 -7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 94 102.646 -1.194 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 94 103.514 -2.686 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 94 105.543 -0.992 -4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 94 104.228 0.122 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 94 104.424 -2.556 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 94 103.975 0.955 -2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 94 103.552 0.922 -0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 94 103.791 -2.599 -0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 94 103.448 -1.095 0.132 1.00 0.00 H new ATOM 1757 N ASP A 95 103.178 -4.642 -6.156 1.00 0.00 N ATOM 1758 CA ASP A 95 103.445 -5.829 -5.351 1.00 0.00 C ATOM 1759 C ASP A 95 102.995 -7.085 -6.082 1.00 0.00 C ATOM 1760 O ASP A 95 102.042 -7.050 -6.863 1.00 0.00 O ATOM 1761 CB ASP A 95 102.739 -5.740 -3.988 1.00 0.00 C ATOM 1762 CG ASP A 95 103.225 -4.579 -3.136 1.00 0.00 C ATOM 1763 OD1 ASP A 95 104.440 -4.277 -3.158 1.00 0.00 O ATOM 1764 OD2 ASP A 95 102.391 -3.949 -2.453 1.00 0.00 O ATOM 0 H ASP A 95 102.217 -4.304 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 95 104.521 -5.882 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 95 101.665 -5.640 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 95 102.895 -6.672 -3.444 1.00 0.00 H new ATOM 1769 N PRO A 96 103.688 -8.209 -5.858 1.00 0.00 N ATOM 1770 CA PRO A 96 103.356 -9.482 -6.486 1.00 0.00 C ATOM 1771 C PRO A 96 102.186 -10.182 -5.800 1.00 0.00 C ATOM 1772 O PRO A 96 102.365 -10.909 -4.824 1.00 0.00 O ATOM 1773 CB PRO A 96 104.644 -10.314 -6.340 1.00 0.00 C ATOM 1774 CG PRO A 96 105.644 -9.424 -5.670 1.00 0.00 C ATOM 1775 CD PRO A 96 104.862 -8.335 -4.992 1.00 0.00 C ATOM 0 HA PRO A 96 103.040 -9.349 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 96 104.463 -11.211 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 96 105.007 -10.643 -7.314 1.00 0.00 H new ATOM 0 HG2 PRO A 96 106.237 -9.983 -4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 96 106.340 -9.006 -6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 96 104.588 -8.605 -3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 96 105.427 -7.404 -4.934 1.00 0.00 H new ATOM 1783 N THR A 97 100.985 -9.934 -6.301 1.00 0.00 N ATOM 1784 CA THR A 97 99.794 -10.602 -5.803 1.00 0.00 C ATOM 1785 C THR A 97 99.495 -11.826 -6.664 1.00 0.00 C ATOM 1786 O THR A 97 99.075 -12.874 -6.169 1.00 0.00 O ATOM 1787 CB THR A 97 98.582 -9.648 -5.824 1.00 0.00 C ATOM 1788 OG1 THR A 97 98.951 -8.388 -5.248 1.00 0.00 O ATOM 1789 CG2 THR A 97 97.410 -10.234 -5.050 1.00 0.00 C ATOM 0 H THR A 97 100.810 -9.271 -7.056 1.00 0.00 H new ATOM 0 HA THR A 97 99.975 -10.911 -4.773 1.00 0.00 H new ATOM 0 HB THR A 97 98.276 -9.508 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 97 98.180 -7.783 -5.264 1.00 0.00 H new ATOM 0 HG21 THR A 97 96.570 -9.540 -5.082 1.00 0.00 H new ATOM 0 HG22 THR A 97 97.115 -11.182 -5.499 1.00 0.00 H new ATOM 0 HG23 THR A 97 97.705 -10.400 -4.014 1.00 0.00 H new ATOM 1797 N TYR A 98 99.728 -11.678 -7.961 1.00 0.00 N ATOM 1798 CA TYR A 98 99.561 -12.766 -8.909 1.00 0.00 C ATOM 1799 C TYR A 98 100.848 -12.945 -9.699 1.00 0.00 C ATOM 1800 O TYR A 98 101.271 -12.035 -10.416 1.00 0.00 O ATOM 1801 CB TYR A 98 98.400 -12.472 -9.865 1.00 0.00 C ATOM 1802 CG TYR A 98 97.086 -12.193 -9.167 1.00 0.00 C ATOM 1803 CD1 TYR A 98 96.276 -13.231 -8.724 1.00 0.00 C ATOM 1804 CD2 TYR A 98 96.657 -10.889 -8.950 1.00 0.00 C ATOM 1805 CE1 TYR A 98 95.077 -12.979 -8.086 1.00 0.00 C ATOM 1806 CE2 TYR A 98 95.459 -10.629 -8.313 1.00 0.00 C ATOM 1807 CZ TYR A 98 94.674 -11.676 -7.882 1.00 0.00 C ATOM 1808 OH TYR A 98 93.483 -11.421 -7.244 1.00 0.00 O ATOM 0 H TYR A 98 100.037 -10.802 -8.383 1.00 0.00 H new ATOM 0 HA TYR A 98 99.334 -13.682 -8.363 1.00 0.00 H new ATOM 0 HB2 TYR A 98 98.661 -11.614 -10.484 1.00 0.00 H new ATOM 0 HB3 TYR A 98 98.271 -13.321 -10.536 1.00 0.00 H new ATOM 0 HD1 TYR A 98 96.589 -14.253 -8.881 1.00 0.00 H new ATOM 0 HD2 TYR A 98 97.270 -10.065 -9.285 1.00 0.00 H new ATOM 0 HE1 TYR A 98 94.459 -13.798 -7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 98 95.139 -9.610 -8.154 1.00 0.00 H new ATOM 0 HH TYR A 98 93.347 -10.453 -7.179 1.00 0.00 H new ATOM 1818 N ARG A 99 101.485 -14.096 -9.557 1.00 0.00 N ATOM 1819 CA ARG A 99 102.743 -14.341 -10.242 1.00 0.00 C ATOM 1820 C ARG A 99 102.583 -15.420 -11.303 1.00 0.00 C ATOM 1821 O ARG A 99 102.309 -16.580 -10.986 1.00 0.00 O ATOM 1822 CB ARG A 99 103.839 -14.754 -9.255 1.00 0.00 C ATOM 1823 CG ARG A 99 105.213 -14.857 -9.902 1.00 0.00 C ATOM 1824 CD ARG A 99 106.252 -15.435 -8.952 1.00 0.00 C ATOM 1825 NE ARG A 99 105.979 -16.832 -8.620 1.00 0.00 N ATOM 1826 CZ ARG A 99 106.868 -17.817 -8.741 1.00 0.00 C ATOM 1827 NH1 ARG A 99 108.095 -17.572 -9.183 1.00 0.00 N ATOM 1828 NH2 ARG A 99 106.519 -19.056 -8.420 1.00 0.00 N ATOM 0 H ARG A 99 101.155 -14.869 -8.979 1.00 0.00 H new ATOM 0 HA ARG A 99 103.037 -13.408 -10.724 1.00 0.00 H new ATOM 0 HB2 ARG A 99 103.880 -14.030 -8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 99 103.579 -15.716 -8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 99 105.148 -15.483 -10.792 1.00 0.00 H new ATOM 0 HG3 ARG A 99 105.533 -13.868 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.240 -15.357 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 99 106.274 -14.843 -8.037 1.00 0.00 H new ATOM 0 HE ARG A 99 105.049 -17.068 -8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.366 -16.621 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 99 108.767 -18.334 -9.271 1.00 0.00 H new ATOM 0 HH21 ARG A 99 105.576 -19.249 -8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 99 107.194 -19.815 -8.510 1.00 0.00 H new ATOM 1842 N PRO A 100 102.729 -15.046 -12.578 1.00 0.00 N ATOM 1843 CA PRO A 100 102.759 -16.003 -13.682 1.00 0.00 C ATOM 1844 C PRO A 100 104.012 -16.870 -13.613 1.00 0.00 C ATOM 1845 O PRO A 100 105.047 -16.424 -13.116 1.00 0.00 O ATOM 1846 CB PRO A 100 102.787 -15.121 -14.939 1.00 0.00 C ATOM 1847 CG PRO A 100 102.405 -13.757 -14.473 1.00 0.00 C ATOM 1848 CD PRO A 100 102.865 -13.663 -13.050 1.00 0.00 C ATOM 0 HA PRO A 100 101.911 -16.687 -13.664 1.00 0.00 H new ATOM 0 HB2 PRO A 100 103.777 -15.118 -15.395 1.00 0.00 H new ATOM 0 HB3 PRO A 100 102.090 -15.488 -15.693 1.00 0.00 H new ATOM 0 HG2 PRO A 100 102.876 -12.989 -15.087 1.00 0.00 H new ATOM 0 HG3 PRO A 100 101.328 -13.607 -14.546 1.00 0.00 H new ATOM 0 HD2 PRO A 100 103.894 -13.310 -12.979 1.00 0.00 H new ATOM 0 HD3 PRO A 100 102.251 -12.974 -12.470 1.00 0.00 H new ATOM 1856 N PRO A 101 103.936 -18.122 -14.097 1.00 0.00 N ATOM 1857 CA PRO A 101 105.081 -19.039 -14.096 1.00 0.00 C ATOM 1858 C PRO A 101 106.277 -18.459 -14.846 1.00 0.00 C ATOM 1859 O PRO A 101 107.429 -18.704 -14.487 1.00 0.00 O ATOM 1860 CB PRO A 101 104.552 -20.283 -14.813 1.00 0.00 C ATOM 1861 CG PRO A 101 103.072 -20.206 -14.671 1.00 0.00 C ATOM 1862 CD PRO A 101 102.732 -18.744 -14.671 1.00 0.00 C ATOM 0 HA PRO A 101 105.441 -19.241 -13.087 1.00 0.00 H new ATOM 0 HB2 PRO A 101 104.848 -20.291 -15.862 1.00 0.00 H new ATOM 0 HB3 PRO A 101 104.945 -21.195 -14.364 1.00 0.00 H new ATOM 0 HG2 PRO A 101 102.574 -20.722 -15.492 1.00 0.00 H new ATOM 0 HG3 PRO A 101 102.743 -20.683 -13.748 1.00 0.00 H new ATOM 0 HD2 PRO A 101 102.529 -18.377 -15.677 1.00 0.00 H new ATOM 0 HD3 PRO A 101 101.846 -18.536 -14.071 1.00 0.00 H new ATOM 1870 N SER A 102 105.988 -17.689 -15.885 1.00 0.00 N ATOM 1871 CA SER A 102 107.020 -17.013 -16.645 1.00 0.00 C ATOM 1872 C SER A 102 106.911 -15.508 -16.423 1.00 0.00 C ATOM 1873 O SER A 102 105.946 -14.876 -16.855 1.00 0.00 O ATOM 1874 CB SER A 102 106.884 -17.349 -18.132 1.00 0.00 C ATOM 1875 OG SER A 102 107.933 -16.776 -18.895 1.00 0.00 O ATOM 0 H SER A 102 105.040 -17.518 -16.220 1.00 0.00 H new ATOM 0 HA SER A 102 108.000 -17.351 -16.307 1.00 0.00 H new ATOM 0 HB2 SER A 102 106.887 -18.431 -18.263 1.00 0.00 H new ATOM 0 HB3 SER A 102 105.925 -16.986 -18.501 1.00 0.00 H new ATOM 0 HG SER A 102 107.817 -17.011 -19.839 1.00 0.00 H new ATOM 1881 N GLY A 103 107.889 -14.944 -15.733 1.00 0.00 N ATOM 1882 CA GLY A 103 107.870 -13.521 -15.446 1.00 0.00 C ATOM 1883 C GLY A 103 108.165 -13.229 -13.990 1.00 0.00 C ATOM 1884 O GLY A 103 107.752 -12.195 -13.458 1.00 0.00 O ATOM 0 H GLY A 103 108.698 -15.445 -15.365 1.00 0.00 H new ATOM 0 HA2 GLY A 103 108.605 -13.016 -16.073 1.00 0.00 H new ATOM 0 HA3 GLY A 103 106.894 -13.112 -15.707 1.00 0.00 H new ATOM 1888 N GLY A 104 108.876 -14.139 -13.346 1.00 0.00 N ATOM 1889 CA GLY A 104 109.225 -13.966 -11.955 1.00 0.00 C ATOM 1890 C GLY A 104 109.485 -15.292 -11.281 1.00 0.00 C ATOM 1891 O GLY A 104 109.273 -15.395 -10.056 1.00 0.00 O ATOM 1892 OXT GLY A 104 109.900 -16.246 -11.978 1.00 0.00 O ATOM 0 H GLY A 104 109.220 -15.002 -13.767 1.00 0.00 H new ATOM 0 HA2 GLY A 104 110.112 -13.337 -11.877 1.00 0.00 H new ATOM 0 HA3 GLY A 104 108.418 -13.446 -11.438 1.00 0.00 H new TER 1896 GLY A 104