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 -17 SER OG : rot 75:sc= 2.43 USER MOD Set 1.2: A -20 MET N :NH3+ -137:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 40 TYR OH : rot 36:sc= 2.15 USER MOD Set 2.2: A 74 THR OG1 : rot -147:sc= 0.0164 USER MOD Set 2.3: A 92 ASN : amide:sc= 2.3 K(o=4.5,f=1.4) USER MOD Set 3.1: A 85 GLN : amide:sc= 0 K(o=0.21,f=-0.76) USER MOD Set 3.2: A 87 HIS : no HD1:sc= 0.21 K(o=0.21,f=-3.7!) USER MOD Single : A 0 MET CE :methyl 170:sc= -0.356 (180deg=-0.449) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= -0.0199 (180deg=-0.15) USER MOD Single : A 5 THR OG1 : rot 130:sc= -0.302 USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 SER OG : rot 71:sc= 0.239 USER MOD Single : A -9 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 11 GLN : amide:sc= 0.103 K(o=0.1,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.0429 (180deg=-0.321) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0153 (180deg=-0.22) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 24 MET CE :methyl -121:sc= -0.297 (180deg=-0.478) USER MOD Single : A 25 CYS SG : rot 12:sc= -0.362 USER MOD Single : A 33 ASN : amide:sc= -3.38! K(o=-3.4!,f=-0.25) USER MOD Single : A 37 SER OG : rot -18:sc= 0.269 USER MOD Single : A 42 MET CE :methyl -169:sc= -3.27! (180deg=-3.68!) USER MOD Single : A 48 THR OG1 : rot 33:sc= 0.535 USER MOD Single : A 55 THR OG1 : rot -41:sc= 1.29 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -90:sc= 1.16 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 75 THR OG1 : rot 85:sc= 0.00699 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 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= 0.0171 USER MOD Single : A -11 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -13 HIS : no HD1:sc=-0.00191 X(o=-0.0019,f=-0.0019) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -16 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A -18 SER OG : rot 180:sc= 0.0318 USER MOD Single : A -20 MET CE :methyl -166:sc= -0.127 (180deg=-0.611) USER MOD Single : A 102 SER OG : rot -134:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -20 129.314 20.368 -3.239 1.00 0.00 N ATOM 2 CA MET A -20 128.778 19.033 -3.589 1.00 0.00 C ATOM 3 C MET A -20 127.645 18.664 -2.637 1.00 0.00 C ATOM 4 O MET A -20 126.484 18.584 -3.040 1.00 0.00 O ATOM 5 CB MET A -20 129.896 17.987 -3.511 1.00 0.00 C ATOM 6 CG MET A -20 129.491 16.603 -3.993 1.00 0.00 C ATOM 7 SD MET A -20 130.776 15.365 -3.715 1.00 0.00 S ATOM 8 CE MET A -20 132.179 16.135 -4.524 1.00 0.00 C ATOM 0 H1 MET A -20 129.471 20.918 -4.108 1.00 0.00 H new ATOM 0 H2 MET A -20 128.633 20.867 -2.632 1.00 0.00 H new ATOM 0 H3 MET A -20 130.215 20.258 -2.731 1.00 0.00 H new ATOM 0 HA MET A -20 128.389 19.058 -4.607 1.00 0.00 H new ATOM 0 HB2 MET A -20 130.743 18.332 -4.104 1.00 0.00 H new ATOM 0 HB3 MET A -20 130.238 17.914 -2.479 1.00 0.00 H new ATOM 0 HG2 MET A -20 128.580 16.296 -3.480 1.00 0.00 H new ATOM 0 HG3 MET A -20 129.258 16.647 -5.057 1.00 0.00 H new ATOM 0 HE1 MET A -20 132.972 15.399 -4.657 1.00 0.00 H new ATOM 0 HE2 MET A -20 131.873 16.518 -5.498 1.00 0.00 H new ATOM 0 HE3 MET A -20 132.547 16.957 -3.910 1.00 0.00 H new ATOM 20 N GLY A -19 127.985 18.448 -1.374 1.00 0.00 N ATOM 21 CA GLY A -19 126.980 18.167 -0.369 1.00 0.00 C ATOM 22 C GLY A -19 127.045 19.152 0.778 1.00 0.00 C ATOM 23 O GLY A -19 126.017 19.618 1.268 1.00 0.00 O ATOM 0 H GLY A -19 128.944 18.463 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A -19 125.990 18.203 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A -19 127.119 17.155 0.012 1.00 0.00 H new ATOM 27 N SER A -18 128.261 19.482 1.193 1.00 0.00 N ATOM 28 CA SER A -18 128.478 20.416 2.289 1.00 0.00 C ATOM 29 C SER A -18 128.707 21.834 1.763 1.00 0.00 C ATOM 30 O SER A -18 129.226 22.700 2.471 1.00 0.00 O ATOM 31 CB SER A -18 129.678 19.951 3.116 1.00 0.00 C ATOM 32 OG SER A -18 130.750 19.566 2.272 1.00 0.00 O ATOM 0 H SER A -18 129.119 19.113 0.783 1.00 0.00 H new ATOM 0 HA SER A -18 127.589 20.437 2.919 1.00 0.00 H new ATOM 0 HB2 SER A -18 130.001 20.753 3.780 1.00 0.00 H new ATOM 0 HB3 SER A -18 129.387 19.112 3.748 1.00 0.00 H new ATOM 0 HG SER A -18 131.508 19.273 2.819 1.00 0.00 H new ATOM 38 N SER A -17 128.302 22.066 0.523 1.00 0.00 N ATOM 39 CA SER A -17 128.472 23.361 -0.116 1.00 0.00 C ATOM 40 C SER A -17 127.354 24.323 0.284 1.00 0.00 C ATOM 41 O SER A -17 126.461 23.960 1.052 1.00 0.00 O ATOM 42 CB SER A -17 128.509 23.169 -1.632 1.00 0.00 C ATOM 43 OG SER A -17 127.615 22.141 -2.038 1.00 0.00 O ATOM 0 H SER A -17 127.849 21.366 -0.065 1.00 0.00 H new ATOM 0 HA SER A -17 129.412 23.802 0.215 1.00 0.00 H new ATOM 0 HB2 SER A -17 128.243 24.103 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A -17 129.523 22.919 -1.946 1.00 0.00 H new ATOM 0 HG SER A -17 126.694 22.473 -1.995 1.00 0.00 H new ATOM 49 N HIS A -16 127.409 25.553 -0.230 1.00 0.00 N ATOM 50 CA HIS A -16 126.380 26.546 0.065 1.00 0.00 C ATOM 51 C HIS A -16 125.041 26.081 -0.487 1.00 0.00 C ATOM 52 O HIS A -16 124.015 26.164 0.187 1.00 0.00 O ATOM 53 CB HIS A -16 126.750 27.920 -0.509 1.00 0.00 C ATOM 54 CG HIS A -16 127.977 28.520 0.110 1.00 0.00 C ATOM 55 ND1 HIS A -16 128.764 29.454 -0.528 1.00 0.00 N ATOM 56 CD2 HIS A -16 128.551 28.313 1.319 1.00 0.00 C ATOM 57 CE1 HIS A -16 129.767 29.791 0.261 1.00 0.00 C ATOM 58 NE2 HIS A -16 129.662 29.114 1.386 1.00 0.00 N ATOM 0 H HIS A -16 128.151 25.882 -0.848 1.00 0.00 H new ATOM 0 HA HIS A -16 126.304 26.650 1.147 1.00 0.00 H new ATOM 0 HB2 HIS A -16 126.905 27.825 -1.584 1.00 0.00 H new ATOM 0 HB3 HIS A -16 125.911 28.602 -0.367 1.00 0.00 H new ATOM 0 HD2 HIS A -16 128.199 27.641 2.088 1.00 0.00 H new ATOM 0 HE1 HIS A -16 130.544 30.503 0.024 1.00 0.00 H new ATOM 0 HE2 HIS A -16 130.302 29.175 2.178 1.00 0.00 H new ATOM 67 N HIS A -15 125.062 25.596 -1.720 1.00 0.00 N ATOM 68 CA HIS A -15 123.910 24.921 -2.294 1.00 0.00 C ATOM 69 C HIS A -15 123.963 23.447 -1.923 1.00 0.00 C ATOM 70 O HIS A -15 125.039 22.846 -1.907 1.00 0.00 O ATOM 71 CB HIS A -15 123.876 25.079 -3.817 1.00 0.00 C ATOM 72 CG HIS A -15 123.443 26.436 -4.279 1.00 0.00 C ATOM 73 ND1 HIS A -15 122.205 26.677 -4.827 1.00 0.00 N ATOM 74 CD2 HIS A -15 124.090 27.627 -4.284 1.00 0.00 C ATOM 75 CE1 HIS A -15 122.107 27.952 -5.151 1.00 0.00 C ATOM 76 NE2 HIS A -15 123.238 28.553 -4.832 1.00 0.00 N ATOM 0 H HIS A -15 125.867 25.658 -2.343 1.00 0.00 H new ATOM 0 HA HIS A -15 123.003 25.373 -1.893 1.00 0.00 H new ATOM 0 HB2 HIS A -15 124.869 24.870 -4.216 1.00 0.00 H new ATOM 0 HB3 HIS A -15 123.201 24.332 -4.235 1.00 0.00 H new ATOM 0 HD2 HIS A -15 125.091 27.813 -3.923 1.00 0.00 H new ATOM 0 HE1 HIS A -15 121.246 28.424 -5.601 1.00 0.00 H new ATOM 0 HE2 HIS A -15 123.445 29.542 -4.970 1.00 0.00 H new ATOM 85 N HIS A -14 122.816 22.870 -1.619 1.00 0.00 N ATOM 86 CA HIS A -14 122.769 21.491 -1.158 1.00 0.00 C ATOM 87 C HIS A -14 122.445 20.537 -2.299 1.00 0.00 C ATOM 88 O HIS A -14 122.209 20.960 -3.430 1.00 0.00 O ATOM 89 CB HIS A -14 121.762 21.337 -0.019 1.00 0.00 C ATOM 90 CG HIS A -14 122.241 21.915 1.276 1.00 0.00 C ATOM 91 ND1 HIS A -14 122.576 21.140 2.366 1.00 0.00 N ATOM 92 CD2 HIS A -14 122.451 23.200 1.651 1.00 0.00 C ATOM 93 CE1 HIS A -14 122.968 21.923 3.353 1.00 0.00 C ATOM 94 NE2 HIS A -14 122.903 23.173 2.946 1.00 0.00 N ATOM 0 H HIS A -14 121.908 23.330 -1.682 1.00 0.00 H new ATOM 0 HA HIS A -14 123.758 21.231 -0.780 1.00 0.00 H new ATOM 0 HB2 HIS A -14 120.827 21.821 -0.302 1.00 0.00 H new ATOM 0 HB3 HIS A -14 121.543 20.279 0.122 1.00 0.00 H new ATOM 0 HD2 HIS A -14 122.292 24.080 1.045 1.00 0.00 H new ATOM 0 HE1 HIS A -14 123.288 21.594 4.330 1.00 0.00 H new ATOM 0 HE2 HIS A -14 123.149 23.991 3.504 1.00 0.00 H new ATOM 103 N HIS A -13 122.427 19.248 -1.991 1.00 0.00 N ATOM 104 CA HIS A -13 122.290 18.213 -3.009 1.00 0.00 C ATOM 105 C HIS A -13 120.829 17.786 -3.168 1.00 0.00 C ATOM 106 O HIS A -13 120.519 16.871 -3.928 1.00 0.00 O ATOM 107 CB HIS A -13 123.162 17.008 -2.634 1.00 0.00 C ATOM 108 CG HIS A -13 123.518 16.127 -3.793 1.00 0.00 C ATOM 109 ND1 HIS A -13 122.947 14.892 -4.010 1.00 0.00 N ATOM 110 CD2 HIS A -13 124.412 16.306 -4.795 1.00 0.00 C ATOM 111 CE1 HIS A -13 123.473 14.350 -5.092 1.00 0.00 C ATOM 112 NE2 HIS A -13 124.360 15.189 -5.587 1.00 0.00 N ATOM 0 H HIS A -13 122.506 18.891 -1.039 1.00 0.00 H new ATOM 0 HA HIS A -13 122.623 18.617 -3.965 1.00 0.00 H new ATOM 0 HB2 HIS A -13 124.080 17.368 -2.169 1.00 0.00 H new ATOM 0 HB3 HIS A -13 122.638 16.413 -1.886 1.00 0.00 H new ATOM 0 HD2 HIS A -13 125.047 17.167 -4.942 1.00 0.00 H new ATOM 0 HE1 HIS A -13 123.220 13.383 -5.502 1.00 0.00 H new ATOM 0 HE2 HIS A -13 124.919 15.032 -6.426 1.00 0.00 H new ATOM 121 N HIS A -12 119.931 18.452 -2.454 1.00 0.00 N ATOM 122 CA HIS A -12 118.507 18.148 -2.556 1.00 0.00 C ATOM 123 C HIS A -12 117.724 19.347 -3.073 1.00 0.00 C ATOM 124 O HIS A -12 117.276 20.193 -2.297 1.00 0.00 O ATOM 125 CB HIS A -12 117.931 17.698 -1.211 1.00 0.00 C ATOM 126 CG HIS A -12 118.380 16.339 -0.777 1.00 0.00 C ATOM 127 ND1 HIS A -12 117.885 15.179 -1.322 1.00 0.00 N ATOM 128 CD2 HIS A -12 119.272 15.959 0.166 1.00 0.00 C ATOM 129 CE1 HIS A -12 118.450 14.141 -0.733 1.00 0.00 C ATOM 130 NE2 HIS A -12 119.298 14.586 0.176 1.00 0.00 N ATOM 0 H HIS A -12 120.160 19.202 -1.801 1.00 0.00 H new ATOM 0 HA HIS A -12 118.408 17.328 -3.267 1.00 0.00 H new ATOM 0 HB2 HIS A -12 118.212 18.423 -0.447 1.00 0.00 H new ATOM 0 HB3 HIS A -12 116.843 17.706 -1.273 1.00 0.00 H new ATOM 0 HD2 HIS A -12 119.856 16.614 0.795 1.00 0.00 H new ATOM 0 HE1 HIS A -12 118.252 13.103 -0.957 1.00 0.00 H new ATOM 0 HE2 HIS A -12 119.876 14.006 0.784 1.00 0.00 H new ATOM 139 N HIS A -11 117.582 19.431 -4.387 1.00 0.00 N ATOM 140 CA HIS A -11 116.789 20.490 -4.994 1.00 0.00 C ATOM 141 C HIS A -11 115.620 19.895 -5.774 1.00 0.00 C ATOM 142 O HIS A -11 114.672 20.597 -6.127 1.00 0.00 O ATOM 143 CB HIS A -11 117.651 21.381 -5.906 1.00 0.00 C ATOM 144 CG HIS A -11 118.078 20.738 -7.196 1.00 0.00 C ATOM 145 ND1 HIS A -11 119.277 20.082 -7.357 1.00 0.00 N ATOM 146 CD2 HIS A -11 117.454 20.666 -8.396 1.00 0.00 C ATOM 147 CE1 HIS A -11 119.371 19.636 -8.595 1.00 0.00 C ATOM 148 NE2 HIS A -11 118.277 19.975 -9.244 1.00 0.00 N ATOM 0 H HIS A -11 118.003 18.782 -5.051 1.00 0.00 H new ATOM 0 HA HIS A -11 116.394 21.117 -4.194 1.00 0.00 H new ATOM 0 HB2 HIS A -11 117.093 22.288 -6.136 1.00 0.00 H new ATOM 0 HB3 HIS A -11 118.542 21.685 -5.356 1.00 0.00 H new ATOM 0 HD2 HIS A -11 116.486 21.078 -8.639 1.00 0.00 H new ATOM 0 HE1 HIS A -11 120.204 19.086 -9.006 1.00 0.00 H new ATOM 0 HE2 HIS A -11 118.075 19.758 -10.220 1.00 0.00 H new ATOM 157 N SER A -10 115.695 18.597 -6.036 1.00 0.00 N ATOM 158 CA SER A -10 114.665 17.906 -6.795 1.00 0.00 C ATOM 159 C SER A -10 113.372 17.783 -5.989 1.00 0.00 C ATOM 160 O SER A -10 112.279 17.816 -6.549 1.00 0.00 O ATOM 161 CB SER A -10 115.175 16.524 -7.203 1.00 0.00 C ATOM 162 OG SER A -10 115.764 15.860 -6.096 1.00 0.00 O ATOM 0 H SER A -10 116.464 18.000 -5.731 1.00 0.00 H new ATOM 0 HA SER A -10 114.441 18.488 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A -10 114.351 15.928 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A -10 115.906 16.623 -8.005 1.00 0.00 H new ATOM 0 HG SER A -10 116.083 14.977 -6.376 1.00 0.00 H new ATOM 168 N SER A -9 113.513 17.669 -4.674 1.00 0.00 N ATOM 169 CA SER A -9 112.375 17.502 -3.779 1.00 0.00 C ATOM 170 C SER A -9 111.460 18.728 -3.791 1.00 0.00 C ATOM 171 O SER A -9 110.245 18.612 -3.633 1.00 0.00 O ATOM 172 CB SER A -9 112.886 17.231 -2.366 1.00 0.00 C ATOM 173 OG SER A -9 113.975 18.086 -2.054 1.00 0.00 O ATOM 0 H SER A -9 114.416 17.690 -4.200 1.00 0.00 H new ATOM 0 HA SER A -9 111.782 16.656 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A -9 112.081 17.383 -1.647 1.00 0.00 H new ATOM 0 HB3 SER A -9 113.198 16.190 -2.280 1.00 0.00 H new ATOM 0 HG SER A -9 114.288 17.899 -1.144 1.00 0.00 H new ATOM 179 N GLY A -8 112.053 19.901 -3.979 1.00 0.00 N ATOM 180 CA GLY A -8 111.276 21.122 -4.035 1.00 0.00 C ATOM 181 C GLY A -8 110.660 21.344 -5.398 1.00 0.00 C ATOM 182 O GLY A -8 109.558 21.885 -5.510 1.00 0.00 O ATOM 0 H GLY A -8 113.059 20.027 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A -8 110.487 21.084 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A -8 111.915 21.969 -3.784 1.00 0.00 H new ATOM 186 N LEU A -7 111.372 20.929 -6.439 1.00 0.00 N ATOM 187 CA LEU A -7 110.879 21.065 -7.803 1.00 0.00 C ATOM 188 C LEU A -7 109.762 20.065 -8.062 1.00 0.00 C ATOM 189 O LEU A -7 108.768 20.378 -8.717 1.00 0.00 O ATOM 190 CB LEU A -7 112.014 20.859 -8.810 1.00 0.00 C ATOM 191 CG LEU A -7 113.153 21.878 -8.727 1.00 0.00 C ATOM 192 CD1 LEU A -7 114.223 21.559 -9.758 1.00 0.00 C ATOM 193 CD2 LEU A -7 112.623 23.289 -8.928 1.00 0.00 C ATOM 0 H LEU A -7 112.292 20.496 -6.364 1.00 0.00 H new ATOM 0 HA LEU A -7 110.485 22.074 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A -7 112.429 19.862 -8.666 1.00 0.00 H new ATOM 0 HB3 LEU A -7 111.595 20.888 -9.816 1.00 0.00 H new ATOM 0 HG LEU A -7 113.599 21.818 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A -7 115.027 22.292 -9.687 1.00 0.00 H new ATOM 0 HD12 LEU A -7 114.623 20.563 -9.571 1.00 0.00 H new ATOM 0 HD13 LEU A -7 113.788 21.593 -10.757 1.00 0.00 H new ATOM 0 HD21 LEU A -7 113.447 24.000 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU A -7 112.152 23.365 -9.908 1.00 0.00 H new ATOM 0 HD23 LEU A -7 111.889 23.516 -8.155 1.00 0.00 H new ATOM 205 N VAL A -6 109.937 18.855 -7.552 1.00 0.00 N ATOM 206 CA VAL A -6 108.916 17.826 -7.648 1.00 0.00 C ATOM 207 C VAL A -6 108.622 17.271 -6.258 1.00 0.00 C ATOM 208 O VAL A -6 109.269 16.321 -5.807 1.00 0.00 O ATOM 209 CB VAL A -6 109.337 16.670 -8.586 1.00 0.00 C ATOM 210 CG1 VAL A -6 108.206 15.662 -8.747 1.00 0.00 C ATOM 211 CG2 VAL A -6 109.774 17.206 -9.945 1.00 0.00 C ATOM 0 H VAL A -6 110.783 18.562 -7.064 1.00 0.00 H new ATOM 0 HA VAL A -6 108.023 18.286 -8.072 1.00 0.00 H new ATOM 0 HB VAL A -6 110.186 16.160 -8.130 1.00 0.00 H new ATOM 0 HG11 VAL A -6 108.526 14.859 -9.411 1.00 0.00 H new ATOM 0 HG12 VAL A -6 107.948 15.246 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A -6 107.334 16.159 -9.173 1.00 0.00 H new ATOM 0 HG21 VAL A -6 110.065 16.375 -10.587 1.00 0.00 H new ATOM 0 HG22 VAL A -6 108.948 17.748 -10.405 1.00 0.00 H new ATOM 0 HG23 VAL A -6 110.622 17.879 -9.815 1.00 0.00 H new ATOM 221 N PRO A -5 107.672 17.889 -5.541 1.00 0.00 N ATOM 222 CA PRO A -5 107.315 17.471 -4.185 1.00 0.00 C ATOM 223 C PRO A -5 106.639 16.107 -4.166 1.00 0.00 C ATOM 224 O PRO A -5 105.474 15.971 -4.542 1.00 0.00 O ATOM 225 CB PRO A -5 106.350 18.562 -3.709 1.00 0.00 C ATOM 226 CG PRO A -5 105.796 19.158 -4.957 1.00 0.00 C ATOM 227 CD PRO A -5 106.880 19.048 -5.991 1.00 0.00 C ATOM 0 HA PRO A -5 108.192 17.363 -3.547 1.00 0.00 H new ATOM 0 HB2 PRO A -5 105.559 18.145 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A -5 106.866 19.311 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO A -5 104.898 18.628 -5.276 1.00 0.00 H new ATOM 0 HG3 PRO A -5 105.513 20.199 -4.799 1.00 0.00 H new ATOM 0 HD2 PRO A -5 106.469 18.890 -6.988 1.00 0.00 H new ATOM 0 HD3 PRO A -5 107.485 19.954 -6.036 1.00 0.00 H new ATOM 235 N ARG A -4 107.384 15.091 -3.758 1.00 0.00 N ATOM 236 CA ARG A -4 106.853 13.737 -3.695 1.00 0.00 C ATOM 237 C ARG A -4 105.873 13.605 -2.536 1.00 0.00 C ATOM 238 O ARG A -4 106.245 13.775 -1.374 1.00 0.00 O ATOM 239 CB ARG A -4 107.982 12.710 -3.557 1.00 0.00 C ATOM 240 CG ARG A -4 108.937 12.696 -4.741 1.00 0.00 C ATOM 241 CD ARG A -4 109.871 11.493 -4.705 1.00 0.00 C ATOM 242 NE ARG A -4 110.767 11.509 -3.548 1.00 0.00 N ATOM 243 CZ ARG A -4 111.570 10.496 -3.219 1.00 0.00 C ATOM 244 NH1 ARG A -4 111.547 9.362 -3.908 1.00 0.00 N ATOM 245 NH2 ARG A -4 112.385 10.609 -2.181 1.00 0.00 N ATOM 0 H ARG A -4 108.357 15.178 -3.466 1.00 0.00 H new ATOM 0 HA ARG A -4 106.324 13.537 -4.627 1.00 0.00 H new ATOM 0 HB2 ARG A -4 108.546 12.921 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A -4 107.547 11.717 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A -4 108.365 12.683 -5.669 1.00 0.00 H new ATOM 0 HG3 ARG A -4 109.526 13.613 -4.743 1.00 0.00 H new ATOM 0 HD2 ARG A -4 109.278 10.578 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A -4 110.465 11.471 -5.619 1.00 0.00 H new ATOM 0 HE ARG A -4 110.778 12.342 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A -4 110.911 9.258 -4.698 1.00 0.00 H new ATOM 0 HH12 ARG A -4 112.166 8.594 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A -4 112.398 11.470 -1.634 1.00 0.00 H new ATOM 0 HH22 ARG A -4 112.999 9.835 -1.928 1.00 0.00 H new ATOM 259 N GLY A -3 104.619 13.321 -2.864 1.00 0.00 N ATOM 260 CA GLY A -3 103.598 13.175 -1.846 1.00 0.00 C ATOM 261 C GLY A -3 102.439 14.131 -2.048 1.00 0.00 C ATOM 262 O GLY A -3 101.801 14.552 -1.087 1.00 0.00 O ATOM 0 H GLY A -3 104.290 13.189 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A -3 103.226 12.151 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A -3 104.040 13.347 -0.865 1.00 0.00 H new ATOM 266 N SER A -2 102.169 14.483 -3.299 1.00 0.00 N ATOM 267 CA SER A -2 101.070 15.388 -3.613 1.00 0.00 C ATOM 268 C SER A -2 99.766 14.616 -3.799 1.00 0.00 C ATOM 269 O SER A -2 98.679 15.183 -3.704 1.00 0.00 O ATOM 270 CB SER A -2 101.390 16.183 -4.878 1.00 0.00 C ATOM 271 OG SER A -2 102.653 16.814 -4.773 1.00 0.00 O ATOM 0 H SER A -2 102.694 14.157 -4.110 1.00 0.00 H new ATOM 0 HA SER A -2 100.946 16.077 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A -2 101.382 15.518 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A -2 100.617 16.933 -5.046 1.00 0.00 H new ATOM 0 HG SER A -2 103.361 16.137 -4.811 1.00 0.00 H new ATOM 277 N HIS A -1 99.881 13.323 -4.071 1.00 0.00 N ATOM 278 CA HIS A -1 98.713 12.474 -4.273 1.00 0.00 C ATOM 279 C HIS A -1 98.935 11.106 -3.647 1.00 0.00 C ATOM 280 O HIS A -1 100.046 10.781 -3.230 1.00 0.00 O ATOM 281 CB HIS A -1 98.393 12.323 -5.766 1.00 0.00 C ATOM 282 CG HIS A -1 97.735 13.528 -6.367 1.00 0.00 C ATOM 283 ND1 HIS A -1 98.286 14.255 -7.401 1.00 0.00 N ATOM 284 CD2 HIS A -1 96.557 14.128 -6.075 1.00 0.00 C ATOM 285 CE1 HIS A -1 97.476 15.249 -7.714 1.00 0.00 C ATOM 286 NE2 HIS A -1 96.421 15.195 -6.926 1.00 0.00 N ATOM 0 H HIS A -1 100.774 12.837 -4.157 1.00 0.00 H new ATOM 0 HA HIS A -1 97.863 12.952 -3.786 1.00 0.00 H new ATOM 0 HB2 HIS A -1 99.316 12.117 -6.307 1.00 0.00 H new ATOM 0 HB3 HIS A -1 97.743 11.459 -5.903 1.00 0.00 H new ATOM 0 HD2 HIS A -1 95.855 13.823 -5.313 1.00 0.00 H new ATOM 0 HE1 HIS A -1 97.649 15.984 -8.487 1.00 0.00 H new ATOM 0 HE2 HIS A -1 95.632 15.841 -6.946 1.00 0.00 H new ATOM 295 N MET A 0 97.877 10.313 -3.591 1.00 0.00 N ATOM 296 CA MET A 0 97.936 8.988 -2.992 1.00 0.00 C ATOM 297 C MET A 0 97.143 8.004 -3.844 1.00 0.00 C ATOM 298 O MET A 0 95.974 8.250 -4.154 1.00 0.00 O ATOM 299 CB MET A 0 97.367 9.028 -1.571 1.00 0.00 C ATOM 300 CG MET A 0 97.466 7.705 -0.833 1.00 0.00 C ATOM 301 SD MET A 0 99.169 7.185 -0.570 1.00 0.00 S ATOM 302 CE MET A 0 98.914 5.651 0.315 1.00 0.00 C ATOM 0 H MET A 0 96.959 10.566 -3.956 1.00 0.00 H new ATOM 0 HA MET A 0 98.976 8.664 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 0 97.894 9.792 -1.000 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.321 9.330 -1.617 1.00 0.00 H new ATOM 0 HG2 MET A 0 96.964 7.792 0.130 1.00 0.00 H new ATOM 0 HG3 MET A 0 96.939 6.937 -1.399 1.00 0.00 H new ATOM 0 HE1 MET A 0 99.860 5.116 0.396 1.00 0.00 H new ATOM 0 HE2 MET A 0 98.532 5.866 1.313 1.00 0.00 H new ATOM 0 HE3 MET A 0 98.194 5.035 -0.224 1.00 0.00 H new ATOM 312 N MET A 1 97.769 6.905 -4.235 1.00 0.00 N ATOM 313 CA MET A 1 97.108 5.937 -5.096 1.00 0.00 C ATOM 314 C MET A 1 96.496 4.801 -4.285 1.00 0.00 C ATOM 315 O MET A 1 97.103 3.751 -4.103 1.00 0.00 O ATOM 316 CB MET A 1 98.079 5.381 -6.142 1.00 0.00 C ATOM 317 CG MET A 1 98.643 6.442 -7.073 1.00 0.00 C ATOM 318 SD MET A 1 99.709 5.753 -8.356 1.00 0.00 S ATOM 319 CE MET A 1 100.221 7.248 -9.198 1.00 0.00 C ATOM 0 H MET A 1 98.724 6.662 -3.973 1.00 0.00 H new ATOM 0 HA MET A 1 96.302 6.457 -5.614 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.903 4.882 -5.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.566 4.624 -6.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 97.820 6.982 -7.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.208 7.168 -6.489 1.00 0.00 H new ATOM 0 HE1 MET A 1 100.887 6.992 -10.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 99.344 7.764 -9.588 1.00 0.00 H new ATOM 0 HE3 MET A 1 100.744 7.899 -8.498 1.00 0.00 H new ATOM 329 N PHE A 2 95.300 5.037 -3.775 1.00 0.00 N ATOM 330 CA PHE A 2 94.550 4.012 -3.065 1.00 0.00 C ATOM 331 C PHE A 2 93.124 4.003 -3.589 1.00 0.00 C ATOM 332 O PHE A 2 92.329 4.887 -3.270 1.00 0.00 O ATOM 333 CB PHE A 2 94.574 4.272 -1.553 1.00 0.00 C ATOM 334 CG PHE A 2 93.957 3.174 -0.719 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.695 2.053 -0.367 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.646 3.271 -0.274 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.139 1.051 0.413 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.083 2.271 0.502 1.00 0.00 C ATOM 339 CZ PHE A 2 92.831 1.160 0.847 1.00 0.00 C ATOM 0 H PHE A 2 94.823 5.936 -3.840 1.00 0.00 H new ATOM 0 HA PHE A 2 95.008 3.038 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.608 4.413 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.048 5.205 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.716 1.960 -0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.057 4.137 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.727 0.186 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 2 91.060 2.359 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.395 0.380 1.453 1.00 0.00 H new ATOM 349 N LYS A 3 92.812 3.026 -4.421 1.00 0.00 N ATOM 350 CA LYS A 3 91.508 2.980 -5.062 1.00 0.00 C ATOM 351 C LYS A 3 90.577 2.026 -4.329 1.00 0.00 C ATOM 352 O LYS A 3 90.680 0.810 -4.472 1.00 0.00 O ATOM 353 CB LYS A 3 91.635 2.574 -6.533 1.00 0.00 C ATOM 354 CG LYS A 3 90.304 2.551 -7.268 1.00 0.00 C ATOM 355 CD LYS A 3 90.480 2.210 -8.738 1.00 0.00 C ATOM 356 CE LYS A 3 89.141 2.132 -9.458 1.00 0.00 C ATOM 357 NZ LYS A 3 88.407 3.427 -9.425 1.00 0.00 N ATOM 0 H LYS A 3 93.437 2.259 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 3 91.080 3.981 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.309 3.267 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.092 1.586 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 3 89.643 1.820 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 3 89.820 3.523 -7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 3 91.107 2.964 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.000 1.257 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 3 89.305 1.836 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 3 88.528 1.357 -8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 87.588 3.379 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 88.079 3.615 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 89.040 4.193 -9.731 1.00 0.00 H new ATOM 371 N LEU A 4 89.691 2.591 -3.528 1.00 0.00 N ATOM 372 CA LEU A 4 88.690 1.814 -2.817 1.00 0.00 C ATOM 373 C LEU A 4 87.408 1.782 -3.647 1.00 0.00 C ATOM 374 O LEU A 4 86.805 2.827 -3.903 1.00 0.00 O ATOM 375 CB LEU A 4 88.453 2.437 -1.432 1.00 0.00 C ATOM 376 CG LEU A 4 87.722 1.564 -0.405 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.960 2.098 0.999 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.231 1.516 -0.685 1.00 0.00 C ATOM 0 H LEU A 4 89.644 3.595 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 4 89.030 0.789 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.420 2.718 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.884 3.357 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 4 88.119 0.552 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.436 1.471 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 4 89.028 2.087 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.586 3.120 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 4 85.741 0.889 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 4 85.819 2.524 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.060 1.100 -1.678 1.00 0.00 H new ATOM 390 N THR A 5 87.012 0.591 -4.083 1.00 0.00 N ATOM 391 CA THR A 5 85.849 0.442 -4.951 1.00 0.00 C ATOM 392 C THR A 5 84.548 0.693 -4.189 1.00 0.00 C ATOM 393 O THR A 5 84.431 0.345 -3.013 1.00 0.00 O ATOM 394 CB THR A 5 85.801 -0.962 -5.592 1.00 0.00 C ATOM 395 OG1 THR A 5 85.780 -1.975 -4.575 1.00 0.00 O ATOM 396 CG2 THR A 5 86.997 -1.181 -6.509 1.00 0.00 C ATOM 0 H THR A 5 87.479 -0.285 -3.850 1.00 0.00 H new ATOM 0 HA THR A 5 85.948 1.189 -5.739 1.00 0.00 H new ATOM 0 HB THR A 5 84.889 -1.030 -6.185 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.051 -2.604 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.941 -2.177 -6.949 1.00 0.00 H new ATOM 0 HG22 THR A 5 86.989 -0.433 -7.302 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.918 -1.090 -5.934 1.00 0.00 H new ATOM 404 N PRO A 6 83.550 1.308 -4.850 1.00 0.00 N ATOM 405 CA PRO A 6 82.238 1.566 -4.248 1.00 0.00 C ATOM 406 C PRO A 6 81.577 0.285 -3.744 1.00 0.00 C ATOM 407 O PRO A 6 80.841 0.302 -2.756 1.00 0.00 O ATOM 408 CB PRO A 6 81.418 2.183 -5.390 1.00 0.00 C ATOM 409 CG PRO A 6 82.183 1.881 -6.635 1.00 0.00 C ATOM 410 CD PRO A 6 83.625 1.809 -6.228 1.00 0.00 C ATOM 0 HA PRO A 6 82.314 2.215 -3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.417 1.755 -5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.300 3.258 -5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 6 81.855 0.940 -7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.028 2.656 -7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.194 1.138 -6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.108 2.785 -6.278 1.00 0.00 H new ATOM 418 N ALA A 7 81.858 -0.826 -4.422 1.00 0.00 N ATOM 419 CA ALA A 7 81.343 -2.124 -4.011 1.00 0.00 C ATOM 420 C ALA A 7 81.880 -2.504 -2.635 1.00 0.00 C ATOM 421 O ALA A 7 81.130 -2.956 -1.767 1.00 0.00 O ATOM 422 CB ALA A 7 81.709 -3.185 -5.038 1.00 0.00 C ATOM 0 H ALA A 7 82.440 -0.850 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 7 80.257 -2.061 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.318 -4.151 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.278 -2.921 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.794 -3.245 -5.129 1.00 0.00 H new ATOM 428 N ALA A 8 83.177 -2.295 -2.435 1.00 0.00 N ATOM 429 CA ALA A 8 83.812 -2.585 -1.157 1.00 0.00 C ATOM 430 C ALA A 8 83.406 -1.550 -0.115 1.00 0.00 C ATOM 431 O ALA A 8 83.280 -1.859 1.070 1.00 0.00 O ATOM 432 CB ALA A 8 85.325 -2.622 -1.313 1.00 0.00 C ATOM 0 H ALA A 8 83.809 -1.925 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 8 83.477 -3.565 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.785 -2.840 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.598 -3.397 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.677 -1.655 -1.673 1.00 0.00 H new ATOM 438 N ALA A 9 83.193 -0.321 -0.574 1.00 0.00 N ATOM 439 CA ALA A 9 82.773 0.772 0.298 1.00 0.00 C ATOM 440 C ALA A 9 81.452 0.448 0.984 1.00 0.00 C ATOM 441 O ALA A 9 81.246 0.789 2.150 1.00 0.00 O ATOM 442 CB ALA A 9 82.655 2.068 -0.493 1.00 0.00 C ATOM 0 H ALA A 9 83.305 -0.055 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 9 83.533 0.900 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.341 2.873 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 9 83.622 2.316 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 9 81.918 1.944 -1.286 1.00 0.00 H new ATOM 448 N GLU A 10 80.560 -0.226 0.264 1.00 0.00 N ATOM 449 CA GLU A 10 79.264 -0.590 0.819 1.00 0.00 C ATOM 450 C GLU A 10 79.405 -1.674 1.878 1.00 0.00 C ATOM 451 O GLU A 10 78.574 -1.774 2.776 1.00 0.00 O ATOM 452 CB GLU A 10 78.302 -1.052 -0.271 1.00 0.00 C ATOM 453 CG GLU A 10 77.968 0.022 -1.288 1.00 0.00 C ATOM 454 CD GLU A 10 76.895 -0.417 -2.258 1.00 0.00 C ATOM 455 OE1 GLU A 10 77.033 -1.506 -2.852 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.898 0.319 -2.418 1.00 0.00 O ATOM 0 H GLU A 10 80.711 -0.529 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 10 78.852 0.304 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.738 -1.907 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 10 77.379 -1.398 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.638 0.921 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 10 78.869 0.287 -1.842 1.00 0.00 H new ATOM 463 N GLN A 11 80.455 -2.483 1.784 1.00 0.00 N ATOM 464 CA GLN A 11 80.703 -3.505 2.792 1.00 0.00 C ATOM 465 C GLN A 11 81.187 -2.845 4.078 1.00 0.00 C ATOM 466 O GLN A 11 80.912 -3.320 5.180 1.00 0.00 O ATOM 467 CB GLN A 11 81.720 -4.539 2.306 1.00 0.00 C ATOM 468 CG GLN A 11 81.823 -5.750 3.221 1.00 0.00 C ATOM 469 CD GLN A 11 82.824 -6.779 2.741 1.00 0.00 C ATOM 470 OE1 GLN A 11 83.070 -6.913 1.547 1.00 0.00 O ATOM 471 NE2 GLN A 11 83.400 -7.523 3.671 1.00 0.00 N ATOM 0 H GLN A 11 81.140 -2.452 1.029 1.00 0.00 H new ATOM 0 HA GLN A 11 79.769 -4.033 2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 11 81.443 -4.870 1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.699 -4.067 2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 11 82.104 -5.419 4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.842 -6.218 3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 11 83.168 -7.380 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 11 84.076 -8.239 3.405 1.00 0.00 H new ATOM 480 N VAL A 12 81.895 -1.733 3.925 1.00 0.00 N ATOM 481 CA VAL A 12 82.293 -0.919 5.065 1.00 0.00 C ATOM 482 C VAL A 12 81.052 -0.319 5.719 1.00 0.00 C ATOM 483 O VAL A 12 80.921 -0.301 6.943 1.00 0.00 O ATOM 484 CB VAL A 12 83.258 0.215 4.647 1.00 0.00 C ATOM 485 CG1 VAL A 12 83.714 1.020 5.856 1.00 0.00 C ATOM 486 CG2 VAL A 12 84.454 -0.350 3.896 1.00 0.00 C ATOM 0 H VAL A 12 82.205 -1.375 3.022 1.00 0.00 H new ATOM 0 HA VAL A 12 82.817 -1.562 5.772 1.00 0.00 H new ATOM 0 HB VAL A 12 82.718 0.888 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 12 84.391 1.810 5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 12 82.847 1.463 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.230 0.364 6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.121 0.463 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 12 84.989 -1.050 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.110 -0.868 3.001 1.00 0.00 H new ATOM 496 N LEU A 13 80.129 0.144 4.881 1.00 0.00 N ATOM 497 CA LEU A 13 78.851 0.665 5.349 1.00 0.00 C ATOM 498 C LEU A 13 78.027 -0.453 5.983 1.00 0.00 C ATOM 499 O LEU A 13 77.292 -0.229 6.942 1.00 0.00 O ATOM 500 CB LEU A 13 78.079 1.295 4.183 1.00 0.00 C ATOM 501 CG LEU A 13 76.724 1.907 4.544 1.00 0.00 C ATOM 502 CD1 LEU A 13 76.901 3.079 5.499 1.00 0.00 C ATOM 503 CD2 LEU A 13 75.989 2.347 3.288 1.00 0.00 C ATOM 0 H LEU A 13 80.245 0.168 3.868 1.00 0.00 H new ATOM 0 HA LEU A 13 79.038 1.432 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 13 78.701 2.071 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 13 77.922 0.533 3.420 1.00 0.00 H new ATOM 0 HG LEU A 13 76.126 1.146 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 13 75.926 3.500 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 13 77.386 2.734 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 13 77.518 3.843 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 13 75.027 2.780 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 13 76.585 3.091 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.827 1.485 2.640 1.00 0.00 H new ATOM 515 N LYS A 14 78.166 -1.656 5.441 1.00 0.00 N ATOM 516 CA LYS A 14 77.480 -2.831 5.961 1.00 0.00 C ATOM 517 C LYS A 14 77.933 -3.118 7.390 1.00 0.00 C ATOM 518 O LYS A 14 77.131 -3.493 8.246 1.00 0.00 O ATOM 519 CB LYS A 14 77.767 -4.033 5.059 1.00 0.00 C ATOM 520 CG LYS A 14 76.953 -5.277 5.383 1.00 0.00 C ATOM 521 CD LYS A 14 77.346 -6.434 4.475 1.00 0.00 C ATOM 522 CE LYS A 14 76.429 -7.635 4.646 1.00 0.00 C ATOM 523 NZ LYS A 14 75.022 -7.317 4.286 1.00 0.00 N ATOM 0 H LYS A 14 78.756 -1.844 4.631 1.00 0.00 H new ATOM 0 HA LYS A 14 76.406 -2.643 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.575 -3.748 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.826 -4.279 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.109 -5.558 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.891 -5.062 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.320 -6.104 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 14 78.373 -6.730 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.786 -8.455 4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 14 76.470 -7.978 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.494 -8.200 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.580 -6.776 5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.006 -6.752 3.413 1.00 0.00 H new ATOM 537 N ALA A 15 79.223 -2.927 7.639 1.00 0.00 N ATOM 538 CA ALA A 15 79.776 -3.095 8.974 1.00 0.00 C ATOM 539 C ALA A 15 79.208 -2.042 9.919 1.00 0.00 C ATOM 540 O ALA A 15 78.905 -2.330 11.076 1.00 0.00 O ATOM 541 CB ALA A 15 81.295 -3.020 8.933 1.00 0.00 C ATOM 0 H ALA A 15 79.905 -2.655 6.931 1.00 0.00 H new ATOM 0 HA ALA A 15 79.493 -4.079 9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 15 81.693 -3.148 9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 15 81.681 -3.809 8.288 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.601 -2.050 8.542 1.00 0.00 H new ATOM 547 N ALA A 16 79.051 -0.826 9.407 1.00 0.00 N ATOM 548 CA ALA A 16 78.462 0.261 10.177 1.00 0.00 C ATOM 549 C ALA A 16 76.999 -0.036 10.486 1.00 0.00 C ATOM 550 O ALA A 16 76.498 0.300 11.561 1.00 0.00 O ATOM 551 CB ALA A 16 78.594 1.578 9.423 1.00 0.00 C ATOM 0 H ALA A 16 79.325 -0.569 8.459 1.00 0.00 H new ATOM 0 HA ALA A 16 79.001 0.349 11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 16 78.149 2.380 10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 16 79.648 1.795 9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 16 78.079 1.502 8.465 1.00 0.00 H new ATOM 557 N LYS A 17 76.327 -0.683 9.537 1.00 0.00 N ATOM 558 CA LYS A 17 74.946 -1.123 9.717 1.00 0.00 C ATOM 559 C LYS A 17 74.829 -2.069 10.901 1.00 0.00 C ATOM 560 O LYS A 17 73.846 -2.038 11.641 1.00 0.00 O ATOM 561 CB LYS A 17 74.439 -1.825 8.457 1.00 0.00 C ATOM 562 CG LYS A 17 74.124 -0.878 7.319 1.00 0.00 C ATOM 563 CD LYS A 17 73.703 -1.633 6.069 1.00 0.00 C ATOM 564 CE LYS A 17 73.066 -0.708 5.047 1.00 0.00 C ATOM 565 NZ LYS A 17 71.730 -0.227 5.495 1.00 0.00 N ATOM 0 H LYS A 17 76.722 -0.916 8.626 1.00 0.00 H new ATOM 0 HA LYS A 17 74.338 -0.239 9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.189 -2.542 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 17 73.542 -2.393 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.328 -0.197 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 17 75.000 -0.267 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 17 74.572 -2.121 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.998 -2.420 6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 17 73.720 0.146 4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 17 72.964 -1.231 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 71.201 0.138 4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.204 -1.014 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.851 0.532 6.196 1.00 0.00 H new ATOM 579 N GLN A 18 75.839 -2.911 11.065 1.00 0.00 N ATOM 580 CA GLN A 18 75.878 -3.863 12.172 1.00 0.00 C ATOM 581 C GLN A 18 76.045 -3.141 13.507 1.00 0.00 C ATOM 582 O GLN A 18 75.820 -3.725 14.567 1.00 0.00 O ATOM 583 CB GLN A 18 77.009 -4.876 11.973 1.00 0.00 C ATOM 584 CG GLN A 18 76.886 -5.674 10.685 1.00 0.00 C ATOM 585 CD GLN A 18 77.918 -6.778 10.574 1.00 0.00 C ATOM 586 OE1 GLN A 18 79.029 -6.672 11.098 1.00 0.00 O ATOM 587 NE2 GLN A 18 77.556 -7.848 9.883 1.00 0.00 N ATOM 0 H GLN A 18 76.647 -2.956 10.444 1.00 0.00 H new ATOM 0 HA GLN A 18 74.929 -4.398 12.188 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.963 -4.349 11.975 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.023 -5.564 12.818 1.00 0.00 H new ATOM 0 HG2 GLN A 18 75.888 -6.109 10.627 1.00 0.00 H new ATOM 0 HG3 GLN A 18 76.990 -5.000 9.835 1.00 0.00 H new ATOM 0 HE21 GLN A 18 76.627 -7.895 9.466 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.207 -8.625 9.768 1.00 0.00 H new ATOM 596 N GLY A 19 76.445 -1.878 13.451 1.00 0.00 N ATOM 597 CA GLY A 19 76.555 -1.077 14.652 1.00 0.00 C ATOM 598 C GLY A 19 77.938 -1.127 15.262 1.00 0.00 C ATOM 599 O GLY A 19 78.749 -1.989 14.920 1.00 0.00 O ATOM 0 H GLY A 19 76.696 -1.392 12.590 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.303 -0.043 14.418 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.827 -1.425 15.384 1.00 0.00 H new ATOM 603 N GLY A 20 78.214 -0.188 16.156 1.00 0.00 N ATOM 604 CA GLY A 20 79.488 -0.167 16.847 1.00 0.00 C ATOM 605 C GLY A 20 80.566 0.562 16.071 1.00 0.00 C ATOM 606 O GLY A 20 81.231 1.448 16.602 1.00 0.00 O ATOM 0 H GLY A 20 77.575 0.563 16.416 1.00 0.00 H new ATOM 0 HA2 GLY A 20 79.361 0.310 17.819 1.00 0.00 H new ATOM 0 HA3 GLY A 20 79.811 -1.191 17.034 1.00 0.00 H new ATOM 610 N THR A 21 80.739 0.192 14.812 1.00 0.00 N ATOM 611 CA THR A 21 81.788 0.764 13.984 1.00 0.00 C ATOM 612 C THR A 21 81.303 1.996 13.227 1.00 0.00 C ATOM 613 O THR A 21 82.074 2.648 12.522 1.00 0.00 O ATOM 614 CB THR A 21 82.315 -0.280 12.988 1.00 0.00 C ATOM 615 OG1 THR A 21 81.212 -0.942 12.357 1.00 0.00 O ATOM 616 CG2 THR A 21 83.192 -1.305 13.690 1.00 0.00 C ATOM 0 H THR A 21 80.163 -0.505 14.340 1.00 0.00 H new ATOM 0 HA THR A 21 82.594 1.071 14.650 1.00 0.00 H new ATOM 0 HB THR A 21 82.916 0.232 12.237 1.00 0.00 H new ATOM 0 HG1 THR A 21 81.550 -1.607 11.721 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.553 -2.033 12.964 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.041 -0.802 14.152 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.611 -1.816 14.458 1.00 0.00 H new ATOM 624 N GLU A 22 80.025 2.323 13.381 1.00 0.00 N ATOM 625 CA GLU A 22 79.460 3.480 12.702 1.00 0.00 C ATOM 626 C GLU A 22 79.952 4.763 13.362 1.00 0.00 C ATOM 627 O GLU A 22 79.927 4.891 14.588 1.00 0.00 O ATOM 628 CB GLU A 22 77.931 3.438 12.720 1.00 0.00 C ATOM 629 CG GLU A 22 77.295 4.450 11.779 1.00 0.00 C ATOM 630 CD GLU A 22 75.787 4.515 11.906 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.122 3.479 11.711 1.00 0.00 O ATOM 632 OE2 GLU A 22 75.259 5.606 12.205 1.00 0.00 O ATOM 0 H GLU A 22 79.366 1.808 13.965 1.00 0.00 H new ATOM 0 HA GLU A 22 79.789 3.458 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 22 77.598 2.437 12.446 1.00 0.00 H new ATOM 0 HB3 GLU A 22 77.580 3.624 13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 22 77.713 5.436 11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.556 4.196 10.752 1.00 0.00 H new ATOM 639 N GLY A 23 80.417 5.699 12.548 1.00 0.00 N ATOM 640 CA GLY A 23 80.909 6.959 13.069 1.00 0.00 C ATOM 641 C GLY A 23 82.406 6.941 13.284 1.00 0.00 C ATOM 642 O GLY A 23 83.023 7.983 13.512 1.00 0.00 O ATOM 0 H GLY A 23 80.463 5.609 11.533 1.00 0.00 H new ATOM 0 HA2 GLY A 23 80.652 7.762 12.377 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.410 7.180 14.013 1.00 0.00 H new ATOM 646 N MET A 24 82.993 5.755 13.204 1.00 0.00 N ATOM 647 CA MET A 24 84.424 5.599 13.394 1.00 0.00 C ATOM 648 C MET A 24 85.157 5.812 12.075 1.00 0.00 C ATOM 649 O MET A 24 84.556 5.753 11.002 1.00 0.00 O ATOM 650 CB MET A 24 84.744 4.210 13.956 1.00 0.00 C ATOM 651 CG MET A 24 84.027 3.898 15.261 1.00 0.00 C ATOM 652 SD MET A 24 84.449 2.272 15.918 1.00 0.00 S ATOM 653 CE MET A 24 86.162 2.524 16.378 1.00 0.00 C ATOM 0 H MET A 24 82.497 4.886 13.008 1.00 0.00 H new ATOM 0 HA MET A 24 84.760 6.349 14.110 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.475 3.457 13.215 1.00 0.00 H new ATOM 0 HB3 MET A 24 85.819 4.131 14.115 1.00 0.00 H new ATOM 0 HG2 MET A 24 84.278 4.660 15.999 1.00 0.00 H new ATOM 0 HG3 MET A 24 82.950 3.952 15.101 1.00 0.00 H new ATOM 0 HE1 MET A 24 86.791 1.816 15.839 1.00 0.00 H new ATOM 0 HE2 MET A 24 86.461 3.541 16.125 1.00 0.00 H new ATOM 0 HE3 MET A 24 86.277 2.368 17.451 1.00 0.00 H new ATOM 663 N CYS A 25 86.452 6.060 12.159 1.00 0.00 N ATOM 664 CA CYS A 25 87.255 6.303 10.975 1.00 0.00 C ATOM 665 C CYS A 25 88.120 5.085 10.685 1.00 0.00 C ATOM 666 O CYS A 25 88.532 4.375 11.605 1.00 0.00 O ATOM 667 CB CYS A 25 88.126 7.547 11.174 1.00 0.00 C ATOM 668 SG CYS A 25 88.958 8.123 9.675 1.00 0.00 S ATOM 0 H CYS A 25 86.970 6.098 13.037 1.00 0.00 H new ATOM 0 HA CYS A 25 86.597 6.478 10.124 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.504 8.353 11.562 1.00 0.00 H new ATOM 0 HB3 CYS A 25 88.878 7.331 11.933 1.00 0.00 H new ATOM 0 HG CYS A 25 88.456 7.517 8.640 1.00 0.00 H new ATOM 674 N LEU A 26 88.382 4.833 9.414 1.00 0.00 N ATOM 675 CA LEU A 26 89.171 3.678 9.017 1.00 0.00 C ATOM 676 C LEU A 26 90.661 4.001 9.082 1.00 0.00 C ATOM 677 O LEU A 26 91.132 4.928 8.429 1.00 0.00 O ATOM 678 CB LEU A 26 88.783 3.236 7.602 1.00 0.00 C ATOM 679 CG LEU A 26 89.481 1.971 7.094 1.00 0.00 C ATOM 680 CD1 LEU A 26 89.107 0.770 7.952 1.00 0.00 C ATOM 681 CD2 LEU A 26 89.122 1.716 5.638 1.00 0.00 C ATOM 0 H LEU A 26 88.060 5.412 8.639 1.00 0.00 H new ATOM 0 HA LEU A 26 88.965 2.861 9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.706 3.072 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 26 89.000 4.052 6.913 1.00 0.00 H new ATOM 0 HG LEU A 26 90.558 2.121 7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.613 -0.119 7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.411 0.951 8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 26 88.028 0.617 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.626 0.814 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 88.044 1.587 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.439 2.564 5.031 1.00 0.00 H new ATOM 693 N ARG A 27 91.391 3.241 9.882 1.00 0.00 N ATOM 694 CA ARG A 27 92.832 3.401 9.979 1.00 0.00 C ATOM 695 C ARG A 27 93.516 2.326 9.146 1.00 0.00 C ATOM 696 O ARG A 27 93.257 1.134 9.328 1.00 0.00 O ATOM 697 CB ARG A 27 93.298 3.292 11.434 1.00 0.00 C ATOM 698 CG ARG A 27 94.782 3.580 11.626 1.00 0.00 C ATOM 699 CD ARG A 27 95.044 5.064 11.831 1.00 0.00 C ATOM 700 NE ARG A 27 94.508 5.530 13.110 1.00 0.00 N ATOM 701 CZ ARG A 27 94.498 6.803 13.511 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.039 7.757 12.759 1.00 0.00 N ATOM 703 NH2 ARG A 27 93.944 7.123 14.673 1.00 0.00 N ATOM 0 H ARG A 27 91.008 2.505 10.475 1.00 0.00 H new ATOM 0 HA ARG A 27 93.097 4.390 9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.720 3.987 12.044 1.00 0.00 H new ATOM 0 HB3 ARG A 27 93.081 2.289 11.801 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.153 3.023 12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 27 95.337 3.229 10.756 1.00 0.00 H new ATOM 0 HD2 ARG A 27 96.117 5.254 11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.591 5.631 11.017 1.00 0.00 H new ATOM 0 HE ARG A 27 94.114 4.832 13.741 1.00 0.00 H new ATOM 0 HH11 ARG A 27 95.468 7.520 11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 27 95.025 8.726 13.077 1.00 0.00 H new ATOM 0 HH21 ARG A 27 93.528 6.397 15.257 1.00 0.00 H new ATOM 0 HH22 ARG A 27 93.934 8.095 14.983 1.00 0.00 H new ATOM 717 N LEU A 28 94.369 2.742 8.227 1.00 0.00 N ATOM 718 CA LEU A 28 95.105 1.797 7.402 1.00 0.00 C ATOM 719 C LEU A 28 96.526 1.640 7.913 1.00 0.00 C ATOM 720 O LEU A 28 97.243 2.623 8.106 1.00 0.00 O ATOM 721 CB LEU A 28 95.120 2.240 5.940 1.00 0.00 C ATOM 722 CG LEU A 28 93.753 2.282 5.255 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.905 2.663 3.793 1.00 0.00 C ATOM 724 CD2 LEU A 28 93.045 0.943 5.384 1.00 0.00 C ATOM 0 H LEU A 28 94.570 3.723 8.033 1.00 0.00 H new ATOM 0 HA LEU A 28 94.599 0.834 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.567 3.232 5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.768 1.566 5.380 1.00 0.00 H new ATOM 0 HG LEU A 28 93.145 3.039 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.923 2.688 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.369 3.647 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.532 1.928 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 28 92.075 0.995 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.649 0.166 4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.903 0.707 6.439 1.00 0.00 H new ATOM 736 N ALA A 29 96.920 0.401 8.144 1.00 0.00 N ATOM 737 CA ALA A 29 98.254 0.102 8.623 1.00 0.00 C ATOM 738 C ALA A 29 98.952 -0.884 7.697 1.00 0.00 C ATOM 739 O ALA A 29 98.317 -1.765 7.117 1.00 0.00 O ATOM 740 CB ALA A 29 98.197 -0.445 10.041 1.00 0.00 C ATOM 0 H ALA A 29 96.329 -0.419 8.006 1.00 0.00 H new ATOM 0 HA ALA A 29 98.831 1.027 8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.207 -0.665 10.387 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.741 0.295 10.699 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.602 -1.358 10.055 1.00 0.00 H new ATOM 746 N ALA A 30 100.254 -0.716 7.554 1.00 0.00 N ATOM 747 CA ALA A 30 101.066 -1.600 6.739 1.00 0.00 C ATOM 748 C ALA A 30 102.407 -1.822 7.419 1.00 0.00 C ATOM 749 O ALA A 30 103.090 -0.863 7.777 1.00 0.00 O ATOM 750 CB ALA A 30 101.255 -1.022 5.344 1.00 0.00 C ATOM 0 H ALA A 30 100.778 0.037 8.000 1.00 0.00 H new ATOM 0 HA ALA A 30 100.558 -2.559 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.867 -1.700 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.283 -0.897 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.751 -0.054 5.415 1.00 0.00 H new ATOM 756 N GLY A 31 102.776 -3.076 7.612 1.00 0.00 N ATOM 757 CA GLY A 31 103.986 -3.375 8.347 1.00 0.00 C ATOM 758 C GLY A 31 104.847 -4.413 7.665 1.00 0.00 C ATOM 759 O GLY A 31 104.376 -5.148 6.795 1.00 0.00 O ATOM 0 H GLY A 31 102.263 -3.890 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 31 104.563 -2.459 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 31 103.722 -3.728 9.344 1.00 0.00 H new ATOM 763 N ARG A 32 106.112 -4.467 8.057 1.00 0.00 N ATOM 764 CA ARG A 32 107.038 -5.449 7.520 1.00 0.00 C ATOM 765 C ARG A 32 107.134 -6.643 8.456 1.00 0.00 C ATOM 766 O ARG A 32 107.559 -6.509 9.604 1.00 0.00 O ATOM 767 CB ARG A 32 108.429 -4.846 7.335 1.00 0.00 C ATOM 768 CG ARG A 32 108.483 -3.657 6.392 1.00 0.00 C ATOM 769 CD ARG A 32 109.912 -3.163 6.228 1.00 0.00 C ATOM 770 NE ARG A 32 110.491 -2.721 7.501 1.00 0.00 N ATOM 771 CZ ARG A 32 111.398 -3.412 8.194 1.00 0.00 C ATOM 772 NH1 ARG A 32 111.852 -4.574 7.738 1.00 0.00 N ATOM 773 NH2 ARG A 32 111.848 -2.939 9.346 1.00 0.00 N ATOM 0 H ARG A 32 106.520 -3.838 8.749 1.00 0.00 H new ATOM 0 HA ARG A 32 106.660 -5.770 6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 32 108.809 -4.538 8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 32 109.099 -5.620 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 32 108.077 -3.939 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 32 107.857 -2.852 6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 32 110.525 -3.961 5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 32 109.931 -2.338 5.516 1.00 0.00 H new ATOM 0 HE ARG A 32 110.180 -1.827 7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 32 111.507 -4.944 6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 32 112.545 -5.096 8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 32 111.501 -2.048 9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 32 112.541 -3.465 9.878 1.00 0.00 H new ATOM 787 N ASN A 33 106.709 -7.799 7.979 1.00 0.00 N ATOM 788 CA ASN A 33 106.828 -9.029 8.752 1.00 0.00 C ATOM 789 C ASN A 33 107.990 -9.852 8.208 1.00 0.00 C ATOM 790 O ASN A 33 108.355 -9.703 7.041 1.00 0.00 O ATOM 791 CB ASN A 33 105.535 -9.861 8.691 1.00 0.00 C ATOM 792 CG ASN A 33 104.328 -9.194 9.337 1.00 0.00 C ATOM 793 OD1 ASN A 33 103.483 -9.869 9.927 1.00 0.00 O ATOM 794 ND2 ASN A 33 104.213 -7.885 9.196 1.00 0.00 N ATOM 0 H ASN A 33 106.278 -7.915 7.062 1.00 0.00 H new ATOM 0 HA ASN A 33 107.007 -8.763 9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 33 105.303 -10.073 7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.710 -10.819 9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 33 103.403 -7.400 9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.934 -7.360 8.701 1.00 0.00 H new ATOM 801 N PRO A 34 108.593 -10.724 9.034 1.00 0.00 N ATOM 802 CA PRO A 34 109.705 -11.580 8.602 1.00 0.00 C ATOM 803 C PRO A 34 109.324 -12.475 7.421 1.00 0.00 C ATOM 804 O PRO A 34 110.159 -12.786 6.573 1.00 0.00 O ATOM 805 CB PRO A 34 110.026 -12.427 9.841 1.00 0.00 C ATOM 806 CG PRO A 34 108.834 -12.296 10.727 1.00 0.00 C ATOM 807 CD PRO A 34 108.257 -10.939 10.449 1.00 0.00 C ATOM 0 HA PRO A 34 110.553 -10.991 8.252 1.00 0.00 H new ATOM 0 HB2 PRO A 34 110.203 -13.468 9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 34 110.927 -12.070 10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 34 108.105 -13.080 10.519 1.00 0.00 H new ATOM 0 HG3 PRO A 34 109.115 -12.393 11.776 1.00 0.00 H new ATOM 0 HD2 PRO A 34 107.180 -10.916 10.617 1.00 0.00 H new ATOM 0 HD3 PRO A 34 108.696 -10.174 11.089 1.00 0.00 H new ATOM 815 N ASP A 35 108.063 -12.884 7.374 1.00 0.00 N ATOM 816 CA ASP A 35 107.565 -13.705 6.273 1.00 0.00 C ATOM 817 C ASP A 35 106.824 -12.840 5.265 1.00 0.00 C ATOM 818 O ASP A 35 106.942 -13.031 4.053 1.00 0.00 O ATOM 819 CB ASP A 35 106.627 -14.797 6.789 1.00 0.00 C ATOM 820 CG ASP A 35 107.280 -15.687 7.823 1.00 0.00 C ATOM 821 OD1 ASP A 35 107.983 -16.640 7.435 1.00 0.00 O ATOM 822 OD2 ASP A 35 107.093 -15.433 9.033 1.00 0.00 O ATOM 0 H ASP A 35 107.365 -12.662 8.084 1.00 0.00 H new ATOM 0 HA ASP A 35 108.422 -14.175 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 35 105.740 -14.334 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 35 106.291 -15.407 5.951 1.00 0.00 H new ATOM 827 N GLY A 36 106.069 -11.884 5.781 1.00 0.00 N ATOM 828 CA GLY A 36 105.290 -11.007 4.938 1.00 0.00 C ATOM 829 C GLY A 36 105.675 -9.559 5.141 1.00 0.00 C ATOM 830 O GLY A 36 104.985 -8.815 5.833 1.00 0.00 O ATOM 0 H GLY A 36 105.982 -11.700 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 36 105.436 -11.281 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 36 104.230 -11.137 5.157 1.00 0.00 H new ATOM 834 N SER A 37 106.795 -9.173 4.551 1.00 0.00 N ATOM 835 CA SER A 37 107.326 -7.814 4.668 1.00 0.00 C ATOM 836 C SER A 37 106.346 -6.755 4.158 1.00 0.00 C ATOM 837 O SER A 37 106.554 -5.558 4.358 1.00 0.00 O ATOM 838 CB SER A 37 108.651 -7.723 3.917 1.00 0.00 C ATOM 839 OG SER A 37 109.530 -8.747 4.348 1.00 0.00 O ATOM 0 H SER A 37 107.367 -9.791 3.975 1.00 0.00 H new ATOM 0 HA SER A 37 107.484 -7.607 5.727 1.00 0.00 H new ATOM 0 HB2 SER A 37 108.476 -7.811 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 37 109.107 -6.747 4.086 1.00 0.00 H new ATOM 0 HG SER A 37 109.221 -9.103 5.207 1.00 0.00 H new ATOM 845 N ILE A 38 105.295 -7.193 3.483 1.00 0.00 N ATOM 846 CA ILE A 38 104.208 -6.306 3.108 1.00 0.00 C ATOM 847 C ILE A 38 102.901 -6.846 3.679 1.00 0.00 C ATOM 848 O ILE A 38 102.266 -7.724 3.096 1.00 0.00 O ATOM 849 CB ILE A 38 104.086 -6.147 1.577 1.00 0.00 C ATOM 850 CG1 ILE A 38 105.431 -5.729 0.972 1.00 0.00 C ATOM 851 CG2 ILE A 38 103.016 -5.116 1.245 1.00 0.00 C ATOM 852 CD1 ILE A 38 105.409 -5.603 -0.537 1.00 0.00 C ATOM 0 H ILE A 38 105.173 -8.160 3.183 1.00 0.00 H new ATOM 0 HA ILE A 38 104.423 -5.319 3.519 1.00 0.00 H new ATOM 0 HB ILE A 38 103.799 -7.107 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 38 105.732 -4.774 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 38 106.189 -6.459 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 38 102.936 -5.010 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.058 -5.443 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.287 -4.156 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 38 106.395 -5.304 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 38 105.140 -6.563 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 38 104.676 -4.851 -0.829 1.00 0.00 H new ATOM 864 N ASP A 39 102.529 -6.351 4.848 1.00 0.00 N ATOM 865 CA ASP A 39 101.319 -6.802 5.521 1.00 0.00 C ATOM 866 C ASP A 39 100.339 -5.652 5.682 1.00 0.00 C ATOM 867 O ASP A 39 100.724 -4.550 6.070 1.00 0.00 O ATOM 868 CB ASP A 39 101.665 -7.403 6.885 1.00 0.00 C ATOM 869 CG ASP A 39 100.440 -7.853 7.653 1.00 0.00 C ATOM 870 OD1 ASP A 39 99.778 -8.821 7.217 1.00 0.00 O ATOM 871 OD2 ASP A 39 100.140 -7.255 8.708 1.00 0.00 O ATOM 0 H ASP A 39 103.049 -5.634 5.353 1.00 0.00 H new ATOM 0 HA ASP A 39 100.848 -7.572 4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 39 102.333 -8.253 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 39 102.208 -6.665 7.475 1.00 0.00 H new ATOM 876 N TYR A 40 99.073 -5.913 5.377 1.00 0.00 N ATOM 877 CA TYR A 40 98.044 -4.882 5.407 1.00 0.00 C ATOM 878 C TYR A 40 97.072 -5.100 6.557 1.00 0.00 C ATOM 879 O TYR A 40 96.592 -6.213 6.779 1.00 0.00 O ATOM 880 CB TYR A 40 97.274 -4.862 4.087 1.00 0.00 C ATOM 881 CG TYR A 40 98.092 -4.399 2.906 1.00 0.00 C ATOM 882 CD1 TYR A 40 98.158 -3.054 2.578 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.793 -5.303 2.119 1.00 0.00 C ATOM 884 CE1 TYR A 40 98.902 -2.620 1.503 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.540 -4.875 1.039 1.00 0.00 C ATOM 886 CZ TYR A 40 99.590 -3.531 0.736 1.00 0.00 C ATOM 887 OH TYR A 40 100.335 -3.093 -0.330 1.00 0.00 O ATOM 0 H TYR A 40 98.734 -6.836 5.105 1.00 0.00 H new ATOM 0 HA TYR A 40 98.543 -3.924 5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.896 -5.864 3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.407 -4.210 4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 40 97.617 -2.334 3.175 1.00 0.00 H new ATOM 0 HD2 TYR A 40 98.754 -6.356 2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 40 98.945 -1.568 1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 40 100.081 -5.589 0.436 1.00 0.00 H new ATOM 0 HH TYR A 40 100.748 -2.232 -0.109 1.00 0.00 H new ATOM 897 N ARG A 41 96.786 -4.032 7.283 1.00 0.00 N ATOM 898 CA ARG A 41 95.821 -4.073 8.370 1.00 0.00 C ATOM 899 C ARG A 41 94.830 -2.926 8.235 1.00 0.00 C ATOM 900 O ARG A 41 95.221 -1.770 8.086 1.00 0.00 O ATOM 901 CB ARG A 41 96.528 -3.990 9.724 1.00 0.00 C ATOM 902 CG ARG A 41 97.463 -5.155 9.999 1.00 0.00 C ATOM 903 CD ARG A 41 98.150 -5.008 11.345 1.00 0.00 C ATOM 904 NE ARG A 41 99.037 -6.132 11.630 1.00 0.00 N ATOM 905 CZ ARG A 41 99.778 -6.235 12.729 1.00 0.00 C ATOM 906 NH1 ARG A 41 99.757 -5.272 13.645 1.00 0.00 N ATOM 907 NH2 ARG A 41 100.544 -7.301 12.912 1.00 0.00 N ATOM 0 H ARG A 41 97.213 -3.117 7.137 1.00 0.00 H new ATOM 0 HA ARG A 41 95.284 -5.020 8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 41 97.096 -3.061 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.778 -3.944 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 41 96.900 -6.088 9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 41 98.213 -5.215 9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 41 98.723 -4.081 11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 41 97.398 -4.931 12.130 1.00 0.00 H new ATOM 0 HE ARG A 41 99.092 -6.885 10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 41 99.170 -4.449 13.506 1.00 0.00 H new ATOM 0 HH12 ARG A 41 100.327 -5.356 14.486 1.00 0.00 H new ATOM 0 HH21 ARG A 41 100.564 -8.041 12.210 1.00 0.00 H new ATOM 0 HH22 ARG A 41 101.113 -7.381 13.755 1.00 0.00 H new ATOM 921 N MET A 42 93.548 -3.253 8.272 1.00 0.00 N ATOM 922 CA MET A 42 92.495 -2.251 8.180 1.00 0.00 C ATOM 923 C MET A 42 91.616 -2.326 9.420 1.00 0.00 C ATOM 924 O MET A 42 90.931 -3.324 9.637 1.00 0.00 O ATOM 925 CB MET A 42 91.640 -2.474 6.925 1.00 0.00 C ATOM 926 CG MET A 42 92.435 -2.580 5.637 1.00 0.00 C ATOM 927 SD MET A 42 91.390 -2.999 4.228 1.00 0.00 S ATOM 928 CE MET A 42 90.121 -1.743 4.369 1.00 0.00 C ATOM 0 H MET A 42 93.209 -4.210 8.366 1.00 0.00 H new ATOM 0 HA MET A 42 92.955 -1.265 8.113 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.057 -3.386 7.054 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.930 -1.652 6.833 1.00 0.00 H new ATOM 0 HG2 MET A 42 92.940 -1.634 5.444 1.00 0.00 H new ATOM 0 HG3 MET A 42 93.210 -3.338 5.751 1.00 0.00 H new ATOM 0 HE1 MET A 42 89.298 -1.980 3.695 1.00 0.00 H new ATOM 0 HE2 MET A 42 89.752 -1.712 5.394 1.00 0.00 H new ATOM 0 HE3 MET A 42 90.539 -0.772 4.104 1.00 0.00 H new ATOM 938 N GLY A 43 91.644 -1.286 10.236 1.00 0.00 N ATOM 939 CA GLY A 43 90.879 -1.303 11.467 1.00 0.00 C ATOM 940 C GLY A 43 90.124 -0.014 11.697 1.00 0.00 C ATOM 941 O GLY A 43 90.445 1.014 11.101 1.00 0.00 O ATOM 0 H GLY A 43 92.179 -0.433 10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 43 90.174 -2.134 11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 43 91.551 -1.481 12.306 1.00 0.00 H new ATOM 945 N PHE A 44 89.115 -0.066 12.552 1.00 0.00 N ATOM 946 CA PHE A 44 88.337 1.119 12.881 1.00 0.00 C ATOM 947 C PHE A 44 88.935 1.833 14.084 1.00 0.00 C ATOM 948 O PHE A 44 89.171 1.224 15.127 1.00 0.00 O ATOM 949 CB PHE A 44 86.877 0.751 13.151 1.00 0.00 C ATOM 950 CG PHE A 44 86.128 0.326 11.921 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.465 1.262 11.142 1.00 0.00 C ATOM 952 CD2 PHE A 44 86.086 -1.007 11.540 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.771 0.876 10.011 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.394 -1.398 10.411 1.00 0.00 C ATOM 955 CZ PHE A 44 84.738 -0.454 9.643 1.00 0.00 C ATOM 0 H PHE A 44 88.815 -0.915 13.031 1.00 0.00 H new ATOM 0 HA PHE A 44 88.368 1.794 12.026 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.844 -0.055 13.884 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.371 1.608 13.597 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.491 2.305 11.422 1.00 0.00 H new ATOM 0 HD2 PHE A 44 86.601 -1.748 12.134 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.255 1.614 9.415 1.00 0.00 H new ATOM 0 HE2 PHE A 44 85.365 -2.440 10.128 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.201 -0.757 8.756 1.00 0.00 H new ATOM 965 N ASP A 45 89.177 3.124 13.929 1.00 0.00 N ATOM 966 CA ASP A 45 89.805 3.927 14.968 1.00 0.00 C ATOM 967 C ASP A 45 89.134 5.298 15.020 1.00 0.00 C ATOM 968 O ASP A 45 88.036 5.478 14.483 1.00 0.00 O ATOM 969 CB ASP A 45 91.307 4.074 14.679 1.00 0.00 C ATOM 970 CG ASP A 45 92.124 4.418 15.914 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.295 5.618 16.213 1.00 0.00 O ATOM 972 OD2 ASP A 45 92.619 3.483 16.576 1.00 0.00 O ATOM 0 H ASP A 45 88.945 3.645 13.083 1.00 0.00 H new ATOM 0 HA ASP A 45 89.686 3.436 15.934 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.681 3.144 14.252 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.452 4.851 13.928 1.00 0.00 H new ATOM 977 N ASP A 46 89.773 6.255 15.667 1.00 0.00 N ATOM 978 CA ASP A 46 89.248 7.607 15.740 1.00 0.00 C ATOM 979 C ASP A 46 89.993 8.498 14.761 1.00 0.00 C ATOM 980 O ASP A 46 91.092 8.164 14.319 1.00 0.00 O ATOM 981 CB ASP A 46 89.352 8.160 17.162 1.00 0.00 C ATOM 982 CG ASP A 46 88.427 7.441 18.124 1.00 0.00 C ATOM 983 OD1 ASP A 46 87.215 7.748 18.133 1.00 0.00 O ATOM 984 OD2 ASP A 46 88.903 6.559 18.872 1.00 0.00 O ATOM 0 H ASP A 46 90.660 6.121 16.152 1.00 0.00 H new ATOM 0 HA ASP A 46 88.192 7.587 15.470 1.00 0.00 H new ATOM 0 HB2 ASP A 46 90.380 8.068 17.512 1.00 0.00 H new ATOM 0 HB3 ASP A 46 89.112 9.223 17.155 1.00 0.00 H new ATOM 989 N LEU A 47 89.398 9.625 14.412 1.00 0.00 N ATOM 990 CA LEU A 47 89.960 10.475 13.378 1.00 0.00 C ATOM 991 C LEU A 47 90.923 11.496 13.970 1.00 0.00 C ATOM 992 O LEU A 47 90.523 12.391 14.719 1.00 0.00 O ATOM 993 CB LEU A 47 88.835 11.166 12.597 1.00 0.00 C ATOM 994 CG LEU A 47 89.253 11.824 11.272 1.00 0.00 C ATOM 995 CD1 LEU A 47 88.068 11.891 10.328 1.00 0.00 C ATOM 996 CD2 LEU A 47 89.810 13.225 11.502 1.00 0.00 C ATOM 0 H LEU A 47 88.532 9.971 14.826 1.00 0.00 H new ATOM 0 HA LEU A 47 90.529 9.851 12.688 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.058 10.431 12.388 1.00 0.00 H new ATOM 0 HB3 LEU A 47 88.389 11.928 13.236 1.00 0.00 H new ATOM 0 HG LEU A 47 90.038 11.214 10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 47 88.374 12.359 9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 47 87.705 10.883 10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 47 87.272 12.480 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 47 90.097 13.664 10.546 1.00 0.00 H new ATOM 0 HD22 LEU A 47 89.048 13.847 11.973 1.00 0.00 H new ATOM 0 HD23 LEU A 47 90.684 13.167 12.151 1.00 0.00 H new ATOM 1008 N THR A 48 92.195 11.333 13.646 1.00 0.00 N ATOM 1009 CA THR A 48 93.210 12.307 13.994 1.00 0.00 C ATOM 1010 C THR A 48 93.413 13.273 12.830 1.00 0.00 C ATOM 1011 O THR A 48 93.576 12.848 11.688 1.00 0.00 O ATOM 1012 CB THR A 48 94.533 11.607 14.348 1.00 0.00 C ATOM 1013 OG1 THR A 48 94.697 10.447 13.519 1.00 0.00 O ATOM 1014 CG2 THR A 48 94.555 11.200 15.814 1.00 0.00 C ATOM 0 H THR A 48 92.550 10.524 13.136 1.00 0.00 H new ATOM 0 HA THR A 48 92.879 12.867 14.869 1.00 0.00 H new ATOM 0 HB THR A 48 95.353 12.303 14.173 1.00 0.00 H new ATOM 0 HG1 THR A 48 94.297 10.614 12.640 1.00 0.00 H new ATOM 0 HG21 THR A 48 95.500 10.707 16.041 1.00 0.00 H new ATOM 0 HG22 THR A 48 94.449 12.086 16.439 1.00 0.00 H new ATOM 0 HG23 THR A 48 93.731 10.515 16.014 1.00 0.00 H new ATOM 1022 N GLU A 49 93.398 14.567 13.125 1.00 0.00 N ATOM 1023 CA GLU A 49 93.368 15.594 12.088 1.00 0.00 C ATOM 1024 C GLU A 49 94.721 15.772 11.401 1.00 0.00 C ATOM 1025 O GLU A 49 94.778 16.027 10.195 1.00 0.00 O ATOM 1026 CB GLU A 49 92.902 16.922 12.683 1.00 0.00 C ATOM 1027 CG GLU A 49 91.500 16.865 13.262 1.00 0.00 C ATOM 1028 CD GLU A 49 91.012 18.215 13.743 1.00 0.00 C ATOM 1029 OE1 GLU A 49 90.811 19.112 12.895 1.00 0.00 O ATOM 1030 OE2 GLU A 49 90.819 18.384 14.964 1.00 0.00 O ATOM 0 H GLU A 49 93.406 14.932 14.077 1.00 0.00 H new ATOM 0 HA GLU A 49 92.663 15.263 11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 49 93.598 17.225 13.465 1.00 0.00 H new ATOM 0 HB3 GLU A 49 92.937 17.690 11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 49 90.814 16.484 12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 49 91.483 16.160 14.093 1.00 0.00 H new ATOM 1037 N ASP A 50 95.805 15.637 12.156 1.00 0.00 N ATOM 1038 CA ASP A 50 97.140 15.854 11.600 1.00 0.00 C ATOM 1039 C ASP A 50 97.655 14.585 10.927 1.00 0.00 C ATOM 1040 O ASP A 50 98.570 14.635 10.104 1.00 0.00 O ATOM 1041 CB ASP A 50 98.119 16.325 12.685 1.00 0.00 C ATOM 1042 CG ASP A 50 98.941 15.201 13.287 1.00 0.00 C ATOM 1043 OD1 ASP A 50 98.398 14.423 14.098 1.00 0.00 O ATOM 1044 OD2 ASP A 50 100.144 15.107 12.969 1.00 0.00 O ATOM 0 H ASP A 50 95.790 15.381 13.143 1.00 0.00 H new ATOM 0 HA ASP A 50 97.068 16.639 10.847 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.792 17.068 12.258 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.559 16.820 13.478 1.00 0.00 H new ATOM 1049 N ASP A 51 97.059 13.451 11.278 1.00 0.00 N ATOM 1050 CA ASP A 51 97.418 12.177 10.667 1.00 0.00 C ATOM 1051 C ASP A 51 96.918 12.172 9.229 1.00 0.00 C ATOM 1052 O ASP A 51 95.862 12.739 8.950 1.00 0.00 O ATOM 1053 CB ASP A 51 96.799 11.030 11.468 1.00 0.00 C ATOM 1054 CG ASP A 51 97.404 9.676 11.153 1.00 0.00 C ATOM 1055 OD1 ASP A 51 98.632 9.517 11.325 1.00 0.00 O ATOM 1056 OD2 ASP A 51 96.646 8.753 10.790 1.00 0.00 O ATOM 0 H ASP A 51 96.325 13.388 11.983 1.00 0.00 H new ATOM 0 HA ASP A 51 98.500 12.043 10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 51 96.919 11.234 12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.728 10.995 11.269 1.00 0.00 H new ATOM 1061 N ILE A 52 97.669 11.556 8.325 1.00 0.00 N ATOM 1062 CA ILE A 52 97.388 11.661 6.893 1.00 0.00 C ATOM 1063 C ILE A 52 95.978 11.178 6.556 1.00 0.00 C ATOM 1064 O ILE A 52 95.668 9.990 6.626 1.00 0.00 O ATOM 1065 CB ILE A 52 98.433 10.899 6.048 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.821 11.508 6.276 1.00 0.00 C ATOM 1067 CG2 ILE A 52 98.066 10.936 4.569 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.931 10.818 5.514 1.00 0.00 C ATOM 0 H ILE A 52 98.478 10.978 8.555 1.00 0.00 H new ATOM 0 HA ILE A 52 97.453 12.719 6.639 1.00 0.00 H new ATOM 0 HB ILE A 52 98.446 9.855 6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.796 12.559 5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 52 100.050 11.474 7.341 1.00 0.00 H new ATOM 0 HG21 ILE A 52 98.816 10.393 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 52 97.091 10.470 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 52 98.028 11.971 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.880 11.309 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.986 9.773 5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 52 100.728 10.875 4.445 1.00 0.00 H new ATOM 1080 N ARG A 53 95.131 12.129 6.196 1.00 0.00 N ATOM 1081 CA ARG A 53 93.728 11.866 5.929 1.00 0.00 C ATOM 1082 C ARG A 53 93.512 11.525 4.458 1.00 0.00 C ATOM 1083 O ARG A 53 94.009 12.220 3.571 1.00 0.00 O ATOM 1084 CB ARG A 53 92.916 13.102 6.308 1.00 0.00 C ATOM 1085 CG ARG A 53 91.417 12.958 6.124 1.00 0.00 C ATOM 1086 CD ARG A 53 90.726 14.258 6.478 1.00 0.00 C ATOM 1087 NE ARG A 53 89.275 14.177 6.369 1.00 0.00 N ATOM 1088 CZ ARG A 53 88.463 15.193 6.652 1.00 0.00 C ATOM 1089 NH1 ARG A 53 88.971 16.363 7.017 1.00 0.00 N ATOM 1090 NH2 ARG A 53 87.149 15.047 6.566 1.00 0.00 N ATOM 0 H ARG A 53 95.399 13.107 6.081 1.00 0.00 H new ATOM 0 HA ARG A 53 93.402 11.011 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 53 93.118 13.347 7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 53 93.262 13.945 5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 53 91.193 12.686 5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 53 91.040 12.153 6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 53 90.994 14.540 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 53 91.091 15.048 5.822 1.00 0.00 H new ATOM 0 HE ARG A 53 88.861 13.297 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 53 89.982 16.483 7.080 1.00 0.00 H new ATOM 0 HH12 ARG A 53 88.351 17.143 7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 53 86.753 14.151 6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 53 86.533 15.830 6.785 1.00 0.00 H new ATOM 1104 N LEU A 54 92.759 10.464 4.211 1.00 0.00 N ATOM 1105 CA LEU A 54 92.506 10.005 2.859 1.00 0.00 C ATOM 1106 C LEU A 54 91.019 9.752 2.667 1.00 0.00 C ATOM 1107 O LEU A 54 90.487 8.730 3.103 1.00 0.00 O ATOM 1108 CB LEU A 54 93.310 8.731 2.567 1.00 0.00 C ATOM 1109 CG LEU A 54 93.182 8.184 1.143 1.00 0.00 C ATOM 1110 CD1 LEU A 54 93.716 9.186 0.131 1.00 0.00 C ATOM 1111 CD2 LEU A 54 93.918 6.858 1.018 1.00 0.00 C ATOM 0 H LEU A 54 92.311 9.903 4.936 1.00 0.00 H new ATOM 0 HA LEU A 54 92.824 10.778 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 54 94.362 8.932 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.995 7.955 3.265 1.00 0.00 H new ATOM 0 HG LEU A 54 92.125 8.017 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.615 8.777 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 54 93.149 10.114 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.767 9.386 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 54 93.818 6.481 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.973 7.004 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 54 93.490 6.137 1.715 1.00 0.00 H new ATOM 1123 N THR A 55 90.343 10.697 2.042 1.00 0.00 N ATOM 1124 CA THR A 55 88.926 10.560 1.787 1.00 0.00 C ATOM 1125 C THR A 55 88.688 9.789 0.494 1.00 0.00 C ATOM 1126 O THR A 55 88.939 10.293 -0.604 1.00 0.00 O ATOM 1127 CB THR A 55 88.240 11.936 1.703 1.00 0.00 C ATOM 1128 OG1 THR A 55 88.537 12.701 2.882 1.00 0.00 O ATOM 1129 CG2 THR A 55 86.732 11.784 1.561 1.00 0.00 C ATOM 0 H THR A 55 90.754 11.567 1.703 1.00 0.00 H new ATOM 0 HA THR A 55 88.492 10.007 2.620 1.00 0.00 H new ATOM 0 HB THR A 55 88.621 12.455 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 55 88.495 12.119 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.271 12.770 1.504 1.00 0.00 H new ATOM 0 HG22 THR A 55 86.507 11.225 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.337 11.248 2.424 1.00 0.00 H new ATOM 1137 N SER A 56 88.231 8.555 0.632 1.00 0.00 N ATOM 1138 CA SER A 56 87.883 7.739 -0.517 1.00 0.00 C ATOM 1139 C SER A 56 86.536 8.189 -1.074 1.00 0.00 C ATOM 1140 O SER A 56 85.962 9.171 -0.598 1.00 0.00 O ATOM 1141 CB SER A 56 87.839 6.265 -0.116 1.00 0.00 C ATOM 1142 OG SER A 56 89.075 5.857 0.442 1.00 0.00 O ATOM 0 H SER A 56 88.092 8.096 1.532 1.00 0.00 H new ATOM 0 HA SER A 56 88.639 7.860 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A 56 87.038 6.104 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 56 87.609 5.653 -0.988 1.00 0.00 H new ATOM 0 HG SER A 56 89.024 4.911 0.693 1.00 0.00 H new ATOM 1148 N GLU A 57 86.031 7.475 -2.071 1.00 0.00 N ATOM 1149 CA GLU A 57 84.787 7.859 -2.731 1.00 0.00 C ATOM 1150 C GLU A 57 83.620 7.897 -1.745 1.00 0.00 C ATOM 1151 O GLU A 57 82.701 8.705 -1.890 1.00 0.00 O ATOM 1152 CB GLU A 57 84.487 6.906 -3.887 1.00 0.00 C ATOM 1153 CG GLU A 57 85.660 6.746 -4.841 1.00 0.00 C ATOM 1154 CD GLU A 57 85.234 6.367 -6.240 1.00 0.00 C ATOM 1155 OE1 GLU A 57 85.137 5.161 -6.540 1.00 0.00 O ATOM 1156 OE2 GLU A 57 85.005 7.278 -7.059 1.00 0.00 O ATOM 0 H GLU A 57 86.462 6.628 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 57 84.913 8.866 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 57 84.216 5.930 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 57 83.623 7.274 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 57 86.221 7.680 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 57 86.335 5.983 -4.453 1.00 0.00 H new ATOM 1163 N GLY A 58 83.668 7.035 -0.738 1.00 0.00 N ATOM 1164 CA GLY A 58 82.635 7.035 0.280 1.00 0.00 C ATOM 1165 C GLY A 58 83.139 6.554 1.626 1.00 0.00 C ATOM 1166 O GLY A 58 82.359 6.075 2.448 1.00 0.00 O ATOM 0 H GLY A 58 84.401 6.338 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 58 82.235 8.043 0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.812 6.398 -0.044 1.00 0.00 H new ATOM 1170 N VAL A 59 84.441 6.688 1.861 1.00 0.00 N ATOM 1171 CA VAL A 59 85.048 6.212 3.104 1.00 0.00 C ATOM 1172 C VAL A 59 86.096 7.207 3.607 1.00 0.00 C ATOM 1173 O VAL A 59 86.980 7.619 2.857 1.00 0.00 O ATOM 1174 CB VAL A 59 85.716 4.824 2.925 1.00 0.00 C ATOM 1175 CG1 VAL A 59 86.329 4.345 4.233 1.00 0.00 C ATOM 1176 CG2 VAL A 59 84.721 3.795 2.404 1.00 0.00 C ATOM 0 H VAL A 59 85.096 7.121 1.210 1.00 0.00 H new ATOM 0 HA VAL A 59 84.244 6.120 3.834 1.00 0.00 H new ATOM 0 HB VAL A 59 86.510 4.935 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 59 86.791 3.370 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 59 87.085 5.058 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.550 4.264 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 59 85.220 2.833 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.897 3.695 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 59 84.333 4.120 1.439 1.00 0.00 H new ATOM 1186 N GLU A 60 85.979 7.594 4.870 1.00 0.00 N ATOM 1187 CA GLU A 60 86.945 8.491 5.497 1.00 0.00 C ATOM 1188 C GLU A 60 88.054 7.673 6.152 1.00 0.00 C ATOM 1189 O GLU A 60 87.805 6.913 7.096 1.00 0.00 O ATOM 1190 CB GLU A 60 86.247 9.362 6.545 1.00 0.00 C ATOM 1191 CG GLU A 60 87.102 10.504 7.067 1.00 0.00 C ATOM 1192 CD GLU A 60 87.280 11.608 6.047 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.439 12.529 6.014 1.00 0.00 O ATOM 1194 OE2 GLU A 60 88.264 11.573 5.282 1.00 0.00 O ATOM 0 H GLU A 60 85.220 7.300 5.485 1.00 0.00 H new ATOM 0 HA GLU A 60 87.380 9.138 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.335 9.773 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.947 8.734 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 60 86.644 10.915 7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.080 10.119 7.355 1.00 0.00 H new ATOM 1201 N ILE A 61 89.269 7.821 5.650 1.00 0.00 N ATOM 1202 CA ILE A 61 90.394 7.024 6.118 1.00 0.00 C ATOM 1203 C ILE A 61 91.487 7.910 6.713 1.00 0.00 C ATOM 1204 O ILE A 61 91.731 9.018 6.237 1.00 0.00 O ATOM 1205 CB ILE A 61 90.989 6.184 4.962 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.909 5.294 4.339 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.154 5.341 5.451 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.397 4.472 3.165 1.00 0.00 C ATOM 0 H ILE A 61 89.503 8.488 4.915 1.00 0.00 H new ATOM 0 HA ILE A 61 90.020 6.356 6.894 1.00 0.00 H new ATOM 0 HB ILE A 61 91.361 6.868 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.519 4.622 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 61 89.079 5.921 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.556 4.759 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.933 5.992 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.811 4.666 6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.576 3.868 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.760 5.137 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 61 91.207 3.818 3.490 1.00 0.00 H new ATOM 1220 N VAL A 62 92.124 7.420 7.766 1.00 0.00 N ATOM 1221 CA VAL A 62 93.284 8.079 8.347 1.00 0.00 C ATOM 1222 C VAL A 62 94.473 7.122 8.353 1.00 0.00 C ATOM 1223 O VAL A 62 94.361 5.970 8.785 1.00 0.00 O ATOM 1224 CB VAL A 62 93.011 8.593 9.780 1.00 0.00 C ATOM 1225 CG1 VAL A 62 92.146 9.844 9.743 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.350 7.515 10.628 1.00 0.00 C ATOM 0 H VAL A 62 91.853 6.558 8.240 1.00 0.00 H new ATOM 0 HA VAL A 62 93.510 8.948 7.729 1.00 0.00 H new ATOM 0 HB VAL A 62 93.968 8.846 10.236 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.964 10.191 10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.658 10.624 9.179 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.195 9.615 9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.169 7.901 11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.402 7.225 10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 62 93.005 6.646 10.687 1.00 0.00 H new ATOM 1236 N ILE A 63 95.598 7.587 7.840 1.00 0.00 N ATOM 1237 CA ILE A 63 96.780 6.751 7.710 1.00 0.00 C ATOM 1238 C ILE A 63 98.005 7.453 8.275 1.00 0.00 C ATOM 1239 O ILE A 63 98.290 8.597 7.924 1.00 0.00 O ATOM 1240 CB ILE A 63 97.071 6.401 6.236 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.814 5.884 5.534 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.184 5.367 6.161 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.995 5.684 4.045 1.00 0.00 C ATOM 0 H ILE A 63 95.719 8.543 7.505 1.00 0.00 H new ATOM 0 HA ILE A 63 96.576 5.837 8.268 1.00 0.00 H new ATOM 0 HB ILE A 63 97.391 7.308 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.518 4.938 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.998 6.587 5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.385 5.124 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.087 5.770 6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.879 4.465 6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.065 5.316 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.262 6.633 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.789 4.958 3.869 1.00 0.00 H new ATOM 1255 N ALA A 64 98.733 6.767 9.140 1.00 0.00 N ATOM 1256 CA ALA A 64 99.974 7.304 9.669 1.00 0.00 C ATOM 1257 C ALA A 64 101.057 7.270 8.596 1.00 0.00 C ATOM 1258 O ALA A 64 101.130 6.314 7.818 1.00 0.00 O ATOM 1259 CB ALA A 64 100.411 6.526 10.901 1.00 0.00 C ATOM 0 H ALA A 64 98.487 5.841 9.489 1.00 0.00 H new ATOM 0 HA ALA A 64 99.810 8.340 9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 64 101.343 6.943 11.283 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.640 6.597 11.668 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.564 5.480 10.635 1.00 0.00 H new ATOM 1265 N PRO A 65 101.910 8.311 8.540 1.00 0.00 N ATOM 1266 CA PRO A 65 102.977 8.427 7.535 1.00 0.00 C ATOM 1267 C PRO A 65 103.830 7.166 7.429 1.00 0.00 C ATOM 1268 O PRO A 65 104.336 6.832 6.355 1.00 0.00 O ATOM 1269 CB PRO A 65 103.815 9.600 8.045 1.00 0.00 C ATOM 1270 CG PRO A 65 102.858 10.433 8.824 1.00 0.00 C ATOM 1271 CD PRO A 65 101.886 9.472 9.450 1.00 0.00 C ATOM 0 HA PRO A 65 102.574 8.573 6.533 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.640 9.256 8.668 1.00 0.00 H new ATOM 0 HB3 PRO A 65 104.252 10.164 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.377 11.014 9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 65 102.343 11.143 8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 65 102.189 9.196 10.460 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.888 9.903 9.524 1.00 0.00 H new ATOM 1279 N ASP A 66 103.973 6.473 8.550 1.00 0.00 N ATOM 1280 CA ASP A 66 104.720 5.220 8.612 1.00 0.00 C ATOM 1281 C ASP A 66 104.140 4.188 7.653 1.00 0.00 C ATOM 1282 O ASP A 66 104.862 3.562 6.877 1.00 0.00 O ATOM 1283 CB ASP A 66 104.669 4.645 10.030 1.00 0.00 C ATOM 1284 CG ASP A 66 105.156 5.613 11.086 1.00 0.00 C ATOM 1285 OD1 ASP A 66 104.433 6.588 11.383 1.00 0.00 O ATOM 1286 OD2 ASP A 66 106.255 5.395 11.634 1.00 0.00 O ATOM 0 H ASP A 66 103.575 6.762 9.444 1.00 0.00 H new ATOM 0 HA ASP A 66 105.750 5.437 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 66 103.644 4.353 10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 66 105.275 3.740 10.070 1.00 0.00 H new ATOM 1291 N TYR A 67 102.823 4.039 7.698 1.00 0.00 N ATOM 1292 CA TYR A 67 102.144 2.955 7.000 1.00 0.00 C ATOM 1293 C TYR A 67 101.865 3.314 5.544 1.00 0.00 C ATOM 1294 O TYR A 67 101.662 2.431 4.712 1.00 0.00 O ATOM 1295 CB TYR A 67 100.837 2.613 7.719 1.00 0.00 C ATOM 1296 CG TYR A 67 101.013 2.338 9.199 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.938 1.405 9.647 1.00 0.00 C ATOM 1298 CD2 TYR A 67 100.257 3.017 10.146 1.00 0.00 C ATOM 1299 CE1 TYR A 67 102.106 1.155 10.997 1.00 0.00 C ATOM 1300 CE2 TYR A 67 100.419 2.775 11.498 1.00 0.00 C ATOM 1301 CZ TYR A 67 101.344 1.842 11.918 1.00 0.00 C ATOM 1302 OH TYR A 67 101.511 1.598 13.264 1.00 0.00 O ATOM 0 H TYR A 67 102.200 4.660 8.214 1.00 0.00 H new ATOM 0 HA TYR A 67 102.801 2.085 7.007 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.136 3.438 7.592 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.390 1.739 7.246 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.537 0.865 8.929 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.530 3.747 9.821 1.00 0.00 H new ATOM 0 HE1 TYR A 67 102.830 0.425 11.328 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.824 3.314 12.221 1.00 0.00 H new ATOM 0 HH TYR A 67 100.899 2.165 13.778 1.00 0.00 H new ATOM 1312 N VAL A 68 101.866 4.611 5.244 1.00 0.00 N ATOM 1313 CA VAL A 68 101.622 5.102 3.882 1.00 0.00 C ATOM 1314 C VAL A 68 102.605 4.488 2.880 1.00 0.00 C ATOM 1315 O VAL A 68 102.283 4.319 1.704 1.00 0.00 O ATOM 1316 CB VAL A 68 101.731 6.646 3.824 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.542 7.166 2.406 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.717 7.283 4.755 1.00 0.00 C ATOM 0 H VAL A 68 102.034 5.348 5.928 1.00 0.00 H new ATOM 0 HA VAL A 68 100.610 4.801 3.610 1.00 0.00 H new ATOM 0 HB VAL A 68 102.735 6.920 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.625 8.253 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.309 6.742 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.557 6.876 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.806 8.368 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.712 6.987 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.903 6.952 5.777 1.00 0.00 H new ATOM 1328 N SER A 69 103.781 4.124 3.372 1.00 0.00 N ATOM 1329 CA SER A 69 104.863 3.620 2.534 1.00 0.00 C ATOM 1330 C SER A 69 104.442 2.409 1.695 1.00 0.00 C ATOM 1331 O SER A 69 104.814 2.294 0.527 1.00 0.00 O ATOM 1332 CB SER A 69 106.058 3.261 3.420 1.00 0.00 C ATOM 1333 OG SER A 69 105.656 2.427 4.495 1.00 0.00 O ATOM 0 H SER A 69 104.013 4.169 4.364 1.00 0.00 H new ATOM 0 HA SER A 69 105.136 4.407 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.818 2.754 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.513 4.171 3.811 1.00 0.00 H new ATOM 0 HG SER A 69 105.407 2.981 5.264 1.00 0.00 H new ATOM 1339 N LEU A 70 103.654 1.515 2.282 1.00 0.00 N ATOM 1340 CA LEU A 70 103.285 0.276 1.605 1.00 0.00 C ATOM 1341 C LEU A 70 101.834 0.305 1.131 1.00 0.00 C ATOM 1342 O LEU A 70 101.307 -0.707 0.673 1.00 0.00 O ATOM 1343 CB LEU A 70 103.494 -0.923 2.538 1.00 0.00 C ATOM 1344 CG LEU A 70 104.922 -1.118 3.055 1.00 0.00 C ATOM 1345 CD1 LEU A 70 104.981 -2.291 4.020 1.00 0.00 C ATOM 1346 CD2 LEU A 70 105.886 -1.335 1.899 1.00 0.00 C ATOM 0 H LEU A 70 103.261 1.623 3.217 1.00 0.00 H new ATOM 0 HA LEU A 70 103.929 0.177 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.828 -0.815 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.191 -1.828 2.011 1.00 0.00 H new ATOM 0 HG LEU A 70 105.220 -0.214 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.003 -2.416 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.321 -2.100 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.662 -3.199 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 70 106.895 -1.471 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.589 -2.222 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 70 105.865 -0.467 1.240 1.00 0.00 H new ATOM 1358 N LEU A 71 101.196 1.466 1.221 1.00 0.00 N ATOM 1359 CA LEU A 71 99.779 1.580 0.883 1.00 0.00 C ATOM 1360 C LEU A 71 99.572 2.281 -0.455 1.00 0.00 C ATOM 1361 O LEU A 71 98.439 2.557 -0.848 1.00 0.00 O ATOM 1362 CB LEU A 71 99.030 2.332 1.987 1.00 0.00 C ATOM 1363 CG LEU A 71 98.865 1.562 3.297 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.342 2.475 4.387 1.00 0.00 C ATOM 1365 CD2 LEU A 71 97.920 0.388 3.110 1.00 0.00 C ATOM 0 H LEU A 71 101.632 2.337 1.523 1.00 0.00 H new ATOM 0 HA LEU A 71 99.380 0.569 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.558 3.263 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 71 98.042 2.602 1.615 1.00 0.00 H new ATOM 0 HG LEU A 71 99.843 1.183 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.231 1.910 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 71 99.044 3.294 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.374 2.879 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 71 97.815 -0.148 4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 71 96.944 0.754 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.322 -0.285 2.353 1.00 0.00 H new ATOM 1377 N ASP A 72 100.660 2.572 -1.153 1.00 0.00 N ATOM 1378 CA ASP A 72 100.565 3.250 -2.440 1.00 0.00 C ATOM 1379 C ASP A 72 100.388 2.244 -3.570 1.00 0.00 C ATOM 1380 O ASP A 72 101.007 1.175 -3.568 1.00 0.00 O ATOM 1381 CB ASP A 72 101.791 4.128 -2.700 1.00 0.00 C ATOM 1382 CG ASP A 72 101.711 4.837 -4.041 1.00 0.00 C ATOM 1383 OD1 ASP A 72 100.717 5.560 -4.278 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.640 4.670 -4.862 1.00 0.00 O ATOM 0 H ASP A 72 101.610 2.352 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 72 99.687 3.896 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.882 4.867 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.690 3.513 -2.669 1.00 0.00 H new ATOM 1389 N GLN A 73 99.526 2.605 -4.521 1.00 0.00 N ATOM 1390 CA GLN A 73 99.175 1.769 -5.673 1.00 0.00 C ATOM 1391 C GLN A 73 98.299 0.593 -5.255 1.00 0.00 C ATOM 1392 O GLN A 73 98.013 -0.302 -6.055 1.00 0.00 O ATOM 1393 CB GLN A 73 100.416 1.263 -6.413 1.00 0.00 C ATOM 1394 CG GLN A 73 101.320 2.370 -6.920 1.00 0.00 C ATOM 1395 CD GLN A 73 102.411 1.848 -7.829 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.834 0.697 -7.717 1.00 0.00 O ATOM 1397 NE2 GLN A 73 102.888 2.697 -8.724 1.00 0.00 N ATOM 0 H GLN A 73 99.042 3.503 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 73 98.610 2.401 -6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.987 0.617 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.100 0.650 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.723 3.106 -7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.772 2.884 -6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 73 102.509 3.642 -8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 73 103.635 2.407 -9.355 1.00 0.00 H new ATOM 1406 N THR A 74 97.859 0.610 -4.007 1.00 0.00 N ATOM 1407 CA THR A 74 97.008 -0.442 -3.486 1.00 0.00 C ATOM 1408 C THR A 74 95.564 -0.246 -3.944 1.00 0.00 C ATOM 1409 O THR A 74 94.950 0.796 -3.696 1.00 0.00 O ATOM 1410 CB THR A 74 97.067 -0.485 -1.946 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.430 -0.605 -1.516 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.259 -1.652 -1.401 1.00 0.00 C ATOM 0 H THR A 74 98.080 1.345 -3.335 1.00 0.00 H new ATOM 0 HA THR A 74 97.376 -1.391 -3.876 1.00 0.00 H new ATOM 0 HB THR A 74 96.639 0.441 -1.563 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.467 -1.128 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.318 -1.659 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.218 -1.548 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.661 -2.587 -1.792 1.00 0.00 H new ATOM 1420 N THR A 75 95.036 -1.241 -4.636 1.00 0.00 N ATOM 1421 CA THR A 75 93.655 -1.209 -5.075 1.00 0.00 C ATOM 1422 C THR A 75 92.814 -2.093 -4.163 1.00 0.00 C ATOM 1423 O THR A 75 93.135 -3.265 -3.964 1.00 0.00 O ATOM 1424 CB THR A 75 93.523 -1.694 -6.527 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.621 -1.196 -7.306 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.209 -1.230 -7.139 1.00 0.00 C ATOM 0 H THR A 75 95.546 -2.082 -4.906 1.00 0.00 H new ATOM 0 HA THR A 75 93.302 -0.179 -5.026 1.00 0.00 H new ATOM 0 HB THR A 75 93.537 -2.784 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 75 95.387 -1.800 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.140 -1.586 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.377 -1.630 -6.560 1.00 0.00 H new ATOM 0 HG23 THR A 75 92.168 -0.141 -7.129 1.00 0.00 H new ATOM 1434 N LEU A 76 91.749 -1.533 -3.612 1.00 0.00 N ATOM 1435 CA LEU A 76 90.945 -2.240 -2.632 1.00 0.00 C ATOM 1436 C LEU A 76 89.575 -2.593 -3.197 1.00 0.00 C ATOM 1437 O LEU A 76 88.783 -1.710 -3.529 1.00 0.00 O ATOM 1438 CB LEU A 76 90.790 -1.386 -1.375 1.00 0.00 C ATOM 1439 CG LEU A 76 90.096 -2.076 -0.202 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.906 -3.276 0.260 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.893 -1.099 0.943 1.00 0.00 C ATOM 0 H LEU A 76 91.422 -0.591 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 76 91.455 -3.169 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.779 -1.061 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.228 -0.488 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 76 89.118 -2.426 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.399 -3.757 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.005 -3.986 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.896 -2.947 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.397 -1.606 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.860 -0.722 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.275 -0.266 0.606 1.00 0.00 H new ATOM 1453 N ASP A 77 89.308 -3.886 -3.301 1.00 0.00 N ATOM 1454 CA ASP A 77 88.030 -4.376 -3.800 1.00 0.00 C ATOM 1455 C ASP A 77 87.595 -5.581 -2.974 1.00 0.00 C ATOM 1456 O ASP A 77 88.421 -6.203 -2.311 1.00 0.00 O ATOM 1457 CB ASP A 77 88.151 -4.747 -5.282 1.00 0.00 C ATOM 1458 CG ASP A 77 86.833 -5.184 -5.889 1.00 0.00 C ATOM 1459 OD1 ASP A 77 85.783 -4.609 -5.523 1.00 0.00 O ATOM 1460 OD2 ASP A 77 86.843 -6.096 -6.744 1.00 0.00 O ATOM 0 H ASP A 77 89.966 -4.622 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 77 87.276 -3.594 -3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.534 -3.890 -5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.880 -5.550 -5.392 1.00 0.00 H new ATOM 1465 N TYR A 78 86.312 -5.911 -2.999 1.00 0.00 N ATOM 1466 CA TYR A 78 85.814 -7.020 -2.199 1.00 0.00 C ATOM 1467 C TYR A 78 85.360 -8.171 -3.097 1.00 0.00 C ATOM 1468 O TYR A 78 84.664 -7.964 -4.093 1.00 0.00 O ATOM 1469 CB TYR A 78 84.674 -6.553 -1.271 1.00 0.00 C ATOM 1470 CG TYR A 78 83.273 -6.907 -1.741 1.00 0.00 C ATOM 1471 CD1 TYR A 78 82.564 -6.072 -2.596 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.662 -8.084 -1.321 1.00 0.00 C ATOM 1473 CE1 TYR A 78 81.290 -6.405 -3.024 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.392 -8.420 -1.743 1.00 0.00 C ATOM 1475 CZ TYR A 78 80.709 -7.581 -2.592 1.00 0.00 C ATOM 1476 OH TYR A 78 79.446 -7.924 -3.018 1.00 0.00 O ATOM 0 H TYR A 78 85.604 -5.433 -3.557 1.00 0.00 H new ATOM 0 HA TYR A 78 86.627 -7.386 -1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 78 84.830 -6.987 -0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 78 84.740 -5.471 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 78 83.014 -5.149 -2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.191 -8.747 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 78 80.753 -5.748 -3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.936 -9.339 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 78 79.188 -8.782 -2.620 1.00 0.00 H new ATOM 1486 N VAL A 79 85.783 -9.379 -2.748 1.00 0.00 N ATOM 1487 CA VAL A 79 85.365 -10.585 -3.458 1.00 0.00 C ATOM 1488 C VAL A 79 85.190 -11.735 -2.474 1.00 0.00 C ATOM 1489 O VAL A 79 85.757 -11.720 -1.377 1.00 0.00 O ATOM 1490 CB VAL A 79 86.376 -11.018 -4.549 1.00 0.00 C ATOM 1491 CG1 VAL A 79 86.472 -9.987 -5.664 1.00 0.00 C ATOM 1492 CG2 VAL A 79 87.744 -11.278 -3.942 1.00 0.00 C ATOM 0 H VAL A 79 86.421 -9.552 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 79 84.421 -10.346 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 79 86.009 -11.946 -4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 79 87.190 -10.325 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 79 85.495 -9.863 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 79 86.800 -9.033 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 79 88.438 -11.581 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.109 -10.368 -3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 79 87.667 -12.072 -3.199 1.00 0.00 H new ATOM 1502 N GLU A 80 84.407 -12.728 -2.857 1.00 0.00 N ATOM 1503 CA GLU A 80 84.221 -13.899 -2.022 1.00 0.00 C ATOM 1504 C GLU A 80 85.309 -14.928 -2.313 1.00 0.00 C ATOM 1505 O GLU A 80 85.150 -15.795 -3.174 1.00 0.00 O ATOM 1506 CB GLU A 80 82.836 -14.513 -2.238 1.00 0.00 C ATOM 1507 CG GLU A 80 82.546 -15.679 -1.311 1.00 0.00 C ATOM 1508 CD GLU A 80 81.199 -16.318 -1.568 1.00 0.00 C ATOM 1509 OE1 GLU A 80 81.090 -17.121 -2.515 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.246 -16.028 -0.817 1.00 0.00 O ATOM 0 H GLU A 80 83.892 -12.746 -3.737 1.00 0.00 H new ATOM 0 HA GLU A 80 84.294 -13.591 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.078 -13.744 -2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.752 -14.850 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.327 -16.431 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.587 -15.334 -0.278 1.00 0.00 H new ATOM 1517 N LEU A 81 86.434 -14.793 -1.619 1.00 0.00 N ATOM 1518 CA LEU A 81 87.531 -15.744 -1.753 1.00 0.00 C ATOM 1519 C LEU A 81 87.128 -17.091 -1.174 1.00 0.00 C ATOM 1520 O LEU A 81 87.517 -18.141 -1.679 1.00 0.00 O ATOM 1521 CB LEU A 81 88.783 -15.225 -1.040 1.00 0.00 C ATOM 1522 CG LEU A 81 89.401 -13.961 -1.638 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.572 -13.491 -0.789 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.851 -14.215 -3.070 1.00 0.00 C ATOM 0 H LEU A 81 86.610 -14.035 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 81 87.757 -15.863 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 88.532 -15.028 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.536 -16.014 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 81 88.644 -13.177 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.001 -12.590 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.225 -13.273 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.331 -14.273 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.289 -13.305 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.594 -15.012 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.993 -14.510 -3.674 1.00 0.00 H new ATOM 1536 N GLU A 82 86.336 -17.043 -0.113 1.00 0.00 N ATOM 1537 CA GLU A 82 85.854 -18.240 0.547 1.00 0.00 C ATOM 1538 C GLU A 82 84.340 -18.151 0.669 1.00 0.00 C ATOM 1539 O GLU A 82 83.826 -17.138 1.136 1.00 0.00 O ATOM 1540 CB GLU A 82 86.495 -18.363 1.930 1.00 0.00 C ATOM 1541 CG GLU A 82 88.014 -18.324 1.890 1.00 0.00 C ATOM 1542 CD GLU A 82 88.630 -18.155 3.259 1.00 0.00 C ATOM 1543 OE1 GLU A 82 88.575 -17.034 3.800 1.00 0.00 O ATOM 1544 OE2 GLU A 82 89.187 -19.136 3.791 1.00 0.00 O ATOM 0 H GLU A 82 86.012 -16.174 0.311 1.00 0.00 H new ATOM 0 HA GLU A 82 86.121 -19.123 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 82 86.134 -17.554 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 82 86.174 -19.297 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 82 88.385 -19.245 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.335 -17.504 1.248 1.00 0.00 H new ATOM 1551 N PRO A 83 83.615 -19.193 0.232 1.00 0.00 N ATOM 1552 CA PRO A 83 82.147 -19.193 0.193 1.00 0.00 C ATOM 1553 C PRO A 83 81.518 -18.735 1.507 1.00 0.00 C ATOM 1554 O PRO A 83 81.668 -19.384 2.546 1.00 0.00 O ATOM 1555 CB PRO A 83 81.780 -20.656 -0.102 1.00 0.00 C ATOM 1556 CG PRO A 83 83.051 -21.430 0.033 1.00 0.00 C ATOM 1557 CD PRO A 83 84.163 -20.463 -0.249 1.00 0.00 C ATOM 0 HA PRO A 83 81.772 -18.493 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 83 81.026 -21.018 0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 83 81.363 -20.760 -1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 83 83.146 -21.851 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 83 83.074 -22.265 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 83 85.078 -20.734 0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 83 84.405 -20.423 -1.311 1.00 0.00 H new ATOM 1565 N GLY A 84 80.828 -17.601 1.454 1.00 0.00 N ATOM 1566 CA GLY A 84 80.179 -17.066 2.634 1.00 0.00 C ATOM 1567 C GLY A 84 80.958 -15.931 3.266 1.00 0.00 C ATOM 1568 O GLY A 84 80.413 -15.160 4.058 1.00 0.00 O ATOM 0 H GLY A 84 80.707 -17.041 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 84 79.183 -16.713 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 84 80.049 -17.864 3.365 1.00 0.00 H new ATOM 1572 N GLN A 85 82.232 -15.816 2.918 1.00 0.00 N ATOM 1573 CA GLN A 85 83.091 -14.811 3.522 1.00 0.00 C ATOM 1574 C GLN A 85 83.651 -13.861 2.472 1.00 0.00 C ATOM 1575 O GLN A 85 84.606 -14.185 1.759 1.00 0.00 O ATOM 1576 CB GLN A 85 84.236 -15.475 4.286 1.00 0.00 C ATOM 1577 CG GLN A 85 83.774 -16.569 5.228 1.00 0.00 C ATOM 1578 CD GLN A 85 84.867 -17.036 6.162 1.00 0.00 C ATOM 1579 OE1 GLN A 85 86.049 -16.991 5.827 1.00 0.00 O ATOM 1580 NE2 GLN A 85 84.480 -17.497 7.339 1.00 0.00 N ATOM 0 H GLN A 85 82.691 -16.405 2.223 1.00 0.00 H new ATOM 0 HA GLN A 85 82.485 -14.233 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 85 84.944 -15.895 3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 85 84.771 -14.716 4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 85 82.931 -16.205 5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 85 83.414 -17.416 4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 85 83.489 -17.517 7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 85 85.173 -17.833 8.008 1.00 0.00 H new ATOM 1589 N PHE A 86 83.043 -12.692 2.375 1.00 0.00 N ATOM 1590 CA PHE A 86 83.510 -11.662 1.462 1.00 0.00 C ATOM 1591 C PHE A 86 84.727 -10.964 2.056 1.00 0.00 C ATOM 1592 O PHE A 86 84.647 -10.363 3.131 1.00 0.00 O ATOM 1593 CB PHE A 86 82.399 -10.649 1.184 1.00 0.00 C ATOM 1594 CG PHE A 86 81.146 -11.267 0.628 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.100 -11.706 -0.686 1.00 0.00 C ATOM 1596 CD2 PHE A 86 80.017 -11.406 1.417 1.00 0.00 C ATOM 1597 CE1 PHE A 86 79.950 -12.271 -1.201 1.00 0.00 C ATOM 1598 CE2 PHE A 86 78.864 -11.971 0.908 1.00 0.00 C ATOM 1599 CZ PHE A 86 78.830 -12.404 -0.404 1.00 0.00 C ATOM 0 H PHE A 86 82.221 -12.431 2.920 1.00 0.00 H new ATOM 0 HA PHE A 86 83.791 -12.127 0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.156 -10.125 2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 86 82.768 -9.901 0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 86 81.973 -11.605 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 86 80.038 -11.069 2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 86 79.926 -12.609 -2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 86 77.990 -12.074 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 86 77.930 -12.845 -0.805 1.00 0.00 H new ATOM 1609 N HIS A 87 85.852 -11.059 1.367 1.00 0.00 N ATOM 1610 CA HIS A 87 87.099 -10.492 1.865 1.00 0.00 C ATOM 1611 C HIS A 87 87.542 -9.331 0.993 1.00 0.00 C ATOM 1612 O HIS A 87 87.275 -9.309 -0.210 1.00 0.00 O ATOM 1613 CB HIS A 87 88.217 -11.540 1.893 1.00 0.00 C ATOM 1614 CG HIS A 87 87.984 -12.680 2.835 1.00 0.00 C ATOM 1615 ND1 HIS A 87 88.075 -12.563 4.202 1.00 0.00 N ATOM 1616 CD2 HIS A 87 87.691 -13.977 2.591 1.00 0.00 C ATOM 1617 CE1 HIS A 87 87.853 -13.739 4.757 1.00 0.00 C ATOM 1618 NE2 HIS A 87 87.619 -14.619 3.801 1.00 0.00 N ATOM 0 H HIS A 87 85.930 -11.523 0.462 1.00 0.00 H new ATOM 0 HA HIS A 87 86.912 -10.144 2.881 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.347 -11.939 0.887 1.00 0.00 H new ATOM 0 HB3 HIS A 87 89.151 -11.048 2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 87 87.541 -14.426 1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 87 87.861 -13.947 5.817 1.00 0.00 H new ATOM 0 HE2 HIS A 87 87.418 -15.610 3.939 1.00 0.00 H new ATOM 1627 N PHE A 88 88.212 -8.373 1.608 1.00 0.00 N ATOM 1628 CA PHE A 88 88.820 -7.279 0.873 1.00 0.00 C ATOM 1629 C PHE A 88 90.158 -7.734 0.305 1.00 0.00 C ATOM 1630 O PHE A 88 91.001 -8.258 1.033 1.00 0.00 O ATOM 1631 CB PHE A 88 89.029 -6.062 1.780 1.00 0.00 C ATOM 1632 CG PHE A 88 87.757 -5.469 2.320 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.009 -4.588 1.556 1.00 0.00 C ATOM 1634 CD2 PHE A 88 87.314 -5.788 3.595 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.843 -4.035 2.051 1.00 0.00 C ATOM 1636 CE2 PHE A 88 86.149 -5.237 4.095 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.412 -4.363 3.322 1.00 0.00 C ATOM 0 H PHE A 88 88.349 -8.331 2.618 1.00 0.00 H new ATOM 0 HA PHE A 88 88.153 -6.990 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.665 -6.351 2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.566 -5.295 1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.341 -4.330 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.885 -6.474 4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.270 -3.348 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.816 -5.490 5.090 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.499 -3.936 3.710 1.00 0.00 H new ATOM 1647 N ILE A 89 90.342 -7.557 -0.992 1.00 0.00 N ATOM 1648 CA ILE A 89 91.581 -7.950 -1.636 1.00 0.00 C ATOM 1649 C ILE A 89 92.392 -6.732 -2.031 1.00 0.00 C ATOM 1650 O ILE A 89 91.849 -5.725 -2.493 1.00 0.00 O ATOM 1651 CB ILE A 89 91.345 -8.833 -2.881 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.431 -8.126 -3.890 1.00 0.00 C ATOM 1653 CG2 ILE A 89 90.764 -10.176 -2.471 1.00 0.00 C ATOM 1654 CD1 ILE A 89 90.274 -8.870 -5.198 1.00 0.00 C ATOM 0 H ILE A 89 89.650 -7.145 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 89 92.135 -8.540 -0.905 1.00 0.00 H new ATOM 0 HB ILE A 89 92.305 -9.006 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.447 -7.988 -3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 89 90.830 -7.132 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 89 90.602 -10.789 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.458 -10.683 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 89 89.814 -10.021 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 89 89.614 -8.308 -5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 89 91.249 -8.985 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 89 89.845 -9.854 -5.008 1.00 0.00 H new ATOM 1666 N PHE A 90 93.693 -6.824 -1.834 1.00 0.00 N ATOM 1667 CA PHE A 90 94.599 -5.755 -2.197 1.00 0.00 C ATOM 1668 C PHE A 90 95.279 -6.093 -3.515 1.00 0.00 C ATOM 1669 O PHE A 90 96.166 -6.945 -3.563 1.00 0.00 O ATOM 1670 CB PHE A 90 95.646 -5.544 -1.100 1.00 0.00 C ATOM 1671 CG PHE A 90 95.054 -5.301 0.260 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.718 -4.022 0.671 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.834 -6.359 1.131 1.00 0.00 C ATOM 1674 CE1 PHE A 90 94.174 -3.800 1.921 1.00 0.00 C ATOM 1675 CE2 PHE A 90 94.291 -6.143 2.382 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.960 -4.861 2.778 1.00 0.00 C ATOM 0 H PHE A 90 94.148 -7.638 -1.420 1.00 0.00 H new ATOM 0 HA PHE A 90 94.032 -4.831 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.293 -6.420 -1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.276 -4.696 -1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.883 -3.188 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 90 95.091 -7.363 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.916 -2.797 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 90 94.125 -6.975 3.050 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.535 -4.690 3.756 1.00 0.00 H new ATOM 1686 N LEU A 91 94.834 -5.453 -4.585 1.00 0.00 N ATOM 1687 CA LEU A 91 95.415 -5.695 -5.896 1.00 0.00 C ATOM 1688 C LEU A 91 96.659 -4.846 -6.077 1.00 0.00 C ATOM 1689 O LEU A 91 96.584 -3.657 -6.401 1.00 0.00 O ATOM 1690 CB LEU A 91 94.399 -5.416 -7.004 1.00 0.00 C ATOM 1691 CG LEU A 91 93.154 -6.297 -6.959 1.00 0.00 C ATOM 1692 CD1 LEU A 91 92.107 -5.794 -7.941 1.00 0.00 C ATOM 1693 CD2 LEU A 91 93.513 -7.745 -7.263 1.00 0.00 C ATOM 0 H LEU A 91 94.079 -4.768 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 91 95.697 -6.746 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.092 -4.372 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 91 94.888 -5.549 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 91 92.736 -6.248 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 91 91.227 -6.435 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 91 91.826 -4.773 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 91 92.517 -5.813 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 91 92.613 -8.358 -7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 91 93.956 -7.809 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 91 94.228 -8.106 -6.523 1.00 0.00 H new ATOM 1705 N ASN A 92 97.793 -5.471 -5.822 1.00 0.00 N ATOM 1706 CA ASN A 92 99.085 -4.807 -5.882 1.00 0.00 C ATOM 1707 C ASN A 92 99.753 -5.032 -7.228 1.00 0.00 C ATOM 1708 O ASN A 92 99.826 -6.160 -7.713 1.00 0.00 O ATOM 1709 CB ASN A 92 99.988 -5.320 -4.760 1.00 0.00 C ATOM 1710 CG ASN A 92 99.728 -4.636 -3.434 1.00 0.00 C ATOM 1711 OD1 ASN A 92 98.649 -4.091 -3.198 1.00 0.00 O ATOM 1712 ND2 ASN A 92 100.706 -4.693 -2.546 1.00 0.00 N ATOM 0 H ASN A 92 97.846 -6.457 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 92 98.924 -3.736 -5.756 1.00 0.00 H new ATOM 0 HB2 ASN A 92 99.840 -6.394 -4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 92 101.030 -5.170 -5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 92 100.582 -4.275 -1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 92 101.584 -5.155 -2.783 1.00 0.00 H new ATOM 1719 N PRO A 93 100.245 -3.953 -7.855 1.00 0.00 N ATOM 1720 CA PRO A 93 100.918 -4.020 -9.151 1.00 0.00 C ATOM 1721 C PRO A 93 102.346 -4.554 -9.045 1.00 0.00 C ATOM 1722 O PRO A 93 102.974 -4.877 -10.053 1.00 0.00 O ATOM 1723 CB PRO A 93 100.932 -2.559 -9.635 1.00 0.00 C ATOM 1724 CG PRO A 93 100.121 -1.786 -8.645 1.00 0.00 C ATOM 1725 CD PRO A 93 100.157 -2.572 -7.368 1.00 0.00 C ATOM 0 HA PRO A 93 100.407 -4.703 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 93 101.951 -2.176 -9.688 1.00 0.00 H new ATOM 0 HB3 PRO A 93 100.508 -2.476 -10.636 1.00 0.00 H new ATOM 0 HG2 PRO A 93 100.533 -0.788 -8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 93 99.097 -1.660 -8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 93 101.013 -2.304 -6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 93 99.264 -2.409 -6.765 1.00 0.00 H new ATOM 1733 N ARG A 94 102.860 -4.629 -7.826 1.00 0.00 N ATOM 1734 CA ARG A 94 104.214 -5.127 -7.601 1.00 0.00 C ATOM 1735 C ARG A 94 104.187 -6.601 -7.227 1.00 0.00 C ATOM 1736 O ARG A 94 105.021 -7.389 -7.680 1.00 0.00 O ATOM 1737 CB ARG A 94 104.909 -4.331 -6.495 1.00 0.00 C ATOM 1738 CG ARG A 94 105.214 -2.893 -6.873 1.00 0.00 C ATOM 1739 CD ARG A 94 105.971 -2.182 -5.765 1.00 0.00 C ATOM 1740 NE ARG A 94 106.361 -0.828 -6.145 1.00 0.00 N ATOM 1741 CZ ARG A 94 107.245 -0.096 -5.471 1.00 0.00 C ATOM 1742 NH1 ARG A 94 107.829 -0.591 -4.387 1.00 0.00 N ATOM 1743 NH2 ARG A 94 107.547 1.129 -5.874 1.00 0.00 N ATOM 0 H ARG A 94 102.364 -4.353 -6.979 1.00 0.00 H new ATOM 0 HA ARG A 94 104.773 -5.004 -8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 94 104.279 -4.337 -5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 94 105.840 -4.832 -6.230 1.00 0.00 H new ATOM 0 HG2 ARG A 94 105.803 -2.872 -7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 94 104.284 -2.363 -7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 94 105.349 -2.142 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 94 106.861 -2.756 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 94 105.931 -0.419 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 94 107.601 -1.533 -4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 94 108.506 -0.029 -3.871 1.00 0.00 H new ATOM 0 HH21 ARG A 94 107.101 1.517 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 94 108.225 1.685 -5.353 1.00 0.00 H new ATOM 1757 N ASP A 95 103.229 -6.964 -6.393 1.00 0.00 N ATOM 1758 CA ASP A 95 103.068 -8.342 -5.958 1.00 0.00 C ATOM 1759 C ASP A 95 102.531 -9.191 -7.102 1.00 0.00 C ATOM 1760 O ASP A 95 101.961 -8.654 -8.055 1.00 0.00 O ATOM 1761 CB ASP A 95 102.136 -8.401 -4.745 1.00 0.00 C ATOM 1762 CG ASP A 95 102.741 -7.722 -3.534 1.00 0.00 C ATOM 1763 OD1 ASP A 95 102.641 -6.481 -3.430 1.00 0.00 O ATOM 1764 OD2 ASP A 95 103.348 -8.429 -2.699 1.00 0.00 O ATOM 0 H ASP A 95 102.545 -6.318 -6.000 1.00 0.00 H new ATOM 0 HA ASP A 95 104.038 -8.743 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 95 101.188 -7.924 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 95 101.917 -9.442 -4.506 1.00 0.00 H new ATOM 1769 N PRO A 96 102.736 -10.522 -7.037 1.00 0.00 N ATOM 1770 CA PRO A 96 102.313 -11.460 -8.083 1.00 0.00 C ATOM 1771 C PRO A 96 100.901 -11.190 -8.595 1.00 0.00 C ATOM 1772 O PRO A 96 99.911 -11.499 -7.931 1.00 0.00 O ATOM 1773 CB PRO A 96 102.384 -12.837 -7.399 1.00 0.00 C ATOM 1774 CG PRO A 96 102.740 -12.573 -5.970 1.00 0.00 C ATOM 1775 CD PRO A 96 103.405 -11.229 -5.942 1.00 0.00 C ATOM 0 HA PRO A 96 102.947 -11.376 -8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 96 101.430 -13.358 -7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 96 103.131 -13.471 -7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 96 101.850 -12.580 -5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 96 103.407 -13.345 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 96 103.262 -10.725 -4.986 1.00 0.00 H new ATOM 0 HD3 PRO A 96 104.480 -11.305 -6.105 1.00 0.00 H new ATOM 1783 N THR A 97 100.821 -10.595 -9.775 1.00 0.00 N ATOM 1784 CA THR A 97 99.547 -10.262 -10.378 1.00 0.00 C ATOM 1785 C THR A 97 99.120 -11.369 -11.334 1.00 0.00 C ATOM 1786 O THR A 97 99.958 -11.988 -11.993 1.00 0.00 O ATOM 1787 CB THR A 97 99.638 -8.935 -11.151 1.00 0.00 C ATOM 1788 OG1 THR A 97 100.633 -8.088 -10.550 1.00 0.00 O ATOM 1789 CG2 THR A 97 98.297 -8.216 -11.157 1.00 0.00 C ATOM 0 H THR A 97 101.632 -10.333 -10.335 1.00 0.00 H new ATOM 0 HA THR A 97 98.811 -10.157 -9.581 1.00 0.00 H new ATOM 0 HB THR A 97 99.917 -9.158 -12.181 1.00 0.00 H new ATOM 0 HG1 THR A 97 100.688 -7.245 -11.047 1.00 0.00 H new ATOM 0 HG21 THR A 97 98.388 -7.281 -11.710 1.00 0.00 H new ATOM 0 HG22 THR A 97 97.548 -8.848 -11.634 1.00 0.00 H new ATOM 0 HG23 THR A 97 97.993 -8.004 -10.132 1.00 0.00 H new ATOM 1797 N TYR A 98 97.828 -11.614 -11.415 1.00 0.00 N ATOM 1798 CA TYR A 98 97.314 -12.678 -12.260 1.00 0.00 C ATOM 1799 C TYR A 98 96.479 -12.118 -13.403 1.00 0.00 C ATOM 1800 O TYR A 98 95.403 -11.561 -13.194 1.00 0.00 O ATOM 1801 CB TYR A 98 96.508 -13.700 -11.439 1.00 0.00 C ATOM 1802 CG TYR A 98 95.594 -13.097 -10.388 1.00 0.00 C ATOM 1803 CD1 TYR A 98 94.283 -12.743 -10.687 1.00 0.00 C ATOM 1804 CD2 TYR A 98 96.047 -12.890 -9.090 1.00 0.00 C ATOM 1805 CE1 TYR A 98 93.453 -12.200 -9.723 1.00 0.00 C ATOM 1806 CE2 TYR A 98 95.223 -12.351 -8.123 1.00 0.00 C ATOM 1807 CZ TYR A 98 93.929 -12.007 -8.443 1.00 0.00 C ATOM 1808 OH TYR A 98 93.106 -11.467 -7.478 1.00 0.00 O ATOM 0 H TYR A 98 97.113 -11.092 -10.907 1.00 0.00 H new ATOM 0 HA TYR A 98 98.169 -13.197 -12.693 1.00 0.00 H new ATOM 0 HB2 TYR A 98 95.906 -14.299 -12.122 1.00 0.00 H new ATOM 0 HB3 TYR A 98 97.204 -14.379 -10.947 1.00 0.00 H new ATOM 0 HD1 TYR A 98 93.907 -12.894 -11.688 1.00 0.00 H new ATOM 0 HD2 TYR A 98 97.062 -13.156 -8.834 1.00 0.00 H new ATOM 0 HE1 TYR A 98 92.438 -11.929 -9.971 1.00 0.00 H new ATOM 0 HE2 TYR A 98 95.592 -12.200 -7.119 1.00 0.00 H new ATOM 0 HH TYR A 98 93.595 -11.399 -6.632 1.00 0.00 H new ATOM 1818 N ARG A 99 97.013 -12.233 -14.610 1.00 0.00 N ATOM 1819 CA ARG A 99 96.285 -11.861 -15.814 1.00 0.00 C ATOM 1820 C ARG A 99 95.047 -12.754 -16.001 1.00 0.00 C ATOM 1821 O ARG A 99 93.948 -12.244 -16.226 1.00 0.00 O ATOM 1822 CB ARG A 99 97.209 -11.935 -17.034 1.00 0.00 C ATOM 1823 CG ARG A 99 96.537 -11.573 -18.345 1.00 0.00 C ATOM 1824 CD ARG A 99 97.535 -11.578 -19.487 1.00 0.00 C ATOM 1825 NE ARG A 99 98.571 -10.561 -19.309 1.00 0.00 N ATOM 1826 CZ ARG A 99 99.879 -10.816 -19.297 1.00 0.00 C ATOM 1827 NH1 ARG A 99 100.317 -12.066 -19.414 1.00 0.00 N ATOM 1828 NH2 ARG A 99 100.745 -9.822 -19.158 1.00 0.00 N ATOM 0 H ARG A 99 97.955 -12.584 -14.782 1.00 0.00 H new ATOM 0 HA ARG A 99 95.938 -10.833 -15.709 1.00 0.00 H new ATOM 0 HB2 ARG A 99 98.056 -11.267 -16.876 1.00 0.00 H new ATOM 0 HB3 ARG A 99 97.610 -12.945 -17.111 1.00 0.00 H new ATOM 0 HG2 ARG A 99 95.736 -12.281 -18.555 1.00 0.00 H new ATOM 0 HG3 ARG A 99 96.078 -10.588 -18.263 1.00 0.00 H new ATOM 0 HD2 ARG A 99 98.000 -12.561 -19.559 1.00 0.00 H new ATOM 0 HD3 ARG A 99 97.012 -11.403 -20.427 1.00 0.00 H new ATOM 0 HE ARG A 99 98.273 -9.593 -19.186 1.00 0.00 H new ATOM 0 HH11 ARG A 99 99.651 -12.832 -19.513 1.00 0.00 H new ATOM 0 HH12 ARG A 99 101.319 -12.258 -19.405 1.00 0.00 H new ATOM 0 HH21 ARG A 99 100.410 -8.864 -19.060 1.00 0.00 H new ATOM 0 HH22 ARG A 99 101.746 -10.016 -19.149 1.00 0.00 H new ATOM 1842 N PRO A 100 95.192 -14.099 -15.938 1.00 0.00 N ATOM 1843 CA PRO A 100 94.041 -14.996 -15.952 1.00 0.00 C ATOM 1844 C PRO A 100 93.389 -15.104 -14.571 1.00 0.00 C ATOM 1845 O PRO A 100 94.041 -15.480 -13.596 1.00 0.00 O ATOM 1846 CB PRO A 100 94.643 -16.335 -16.374 1.00 0.00 C ATOM 1847 CG PRO A 100 96.046 -16.297 -15.877 1.00 0.00 C ATOM 1848 CD PRO A 100 96.467 -14.849 -15.883 1.00 0.00 C ATOM 0 HA PRO A 100 93.250 -14.648 -16.616 1.00 0.00 H new ATOM 0 HB2 PRO A 100 94.093 -17.170 -15.940 1.00 0.00 H new ATOM 0 HB3 PRO A 100 94.610 -16.459 -17.456 1.00 0.00 H new ATOM 0 HG2 PRO A 100 96.113 -16.716 -14.873 1.00 0.00 H new ATOM 0 HG3 PRO A 100 96.699 -16.893 -16.515 1.00 0.00 H new ATOM 0 HD2 PRO A 100 97.039 -14.597 -14.990 1.00 0.00 H new ATOM 0 HD3 PRO A 100 97.100 -14.622 -16.741 1.00 0.00 H new ATOM 1856 N PRO A 101 92.092 -14.770 -14.472 1.00 0.00 N ATOM 1857 CA PRO A 101 91.347 -14.790 -13.206 1.00 0.00 C ATOM 1858 C PRO A 101 90.968 -16.205 -12.766 1.00 0.00 C ATOM 1859 O PRO A 101 89.835 -16.461 -12.353 1.00 0.00 O ATOM 1860 CB PRO A 101 90.079 -13.976 -13.518 1.00 0.00 C ATOM 1861 CG PRO A 101 90.274 -13.418 -14.892 1.00 0.00 C ATOM 1862 CD PRO A 101 91.242 -14.331 -15.579 1.00 0.00 C ATOM 0 HA PRO A 101 91.942 -14.387 -12.387 1.00 0.00 H new ATOM 0 HB2 PRO A 101 89.191 -14.606 -13.475 1.00 0.00 H new ATOM 0 HB3 PRO A 101 89.939 -13.178 -12.789 1.00 0.00 H new ATOM 0 HG2 PRO A 101 89.329 -13.375 -15.433 1.00 0.00 H new ATOM 0 HG3 PRO A 101 90.663 -12.401 -14.848 1.00 0.00 H new ATOM 0 HD2 PRO A 101 90.739 -15.168 -16.063 1.00 0.00 H new ATOM 0 HD3 PRO A 101 91.813 -13.813 -16.350 1.00 0.00 H new ATOM 1870 N SER A 102 91.926 -17.113 -12.830 1.00 0.00 N ATOM 1871 CA SER A 102 91.695 -18.498 -12.460 1.00 0.00 C ATOM 1872 C SER A 102 92.662 -18.899 -11.352 1.00 0.00 C ATOM 1873 O SER A 102 93.723 -18.292 -11.200 1.00 0.00 O ATOM 1874 CB SER A 102 91.870 -19.405 -13.686 1.00 0.00 C ATOM 1875 OG SER A 102 91.546 -20.755 -13.391 1.00 0.00 O ATOM 0 H SER A 102 92.878 -16.914 -13.137 1.00 0.00 H new ATOM 0 HA SER A 102 90.675 -18.610 -12.093 1.00 0.00 H new ATOM 0 HB2 SER A 102 91.235 -19.047 -14.497 1.00 0.00 H new ATOM 0 HB3 SER A 102 92.900 -19.347 -14.038 1.00 0.00 H new ATOM 0 HG SER A 102 92.243 -21.344 -13.748 1.00 0.00 H new ATOM 1881 N GLY A 103 92.294 -19.910 -10.578 1.00 0.00 N ATOM 1882 CA GLY A 103 93.168 -20.401 -9.530 1.00 0.00 C ATOM 1883 C GLY A 103 94.272 -21.272 -10.088 1.00 0.00 C ATOM 1884 O GLY A 103 95.204 -21.654 -9.380 1.00 0.00 O ATOM 0 H GLY A 103 91.403 -20.401 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 103 93.604 -19.558 -8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 103 92.585 -20.971 -8.806 1.00 0.00 H new ATOM 1888 N GLY A 104 94.152 -21.593 -11.365 1.00 0.00 N ATOM 1889 CA GLY A 104 95.151 -22.382 -12.042 1.00 0.00 C ATOM 1890 C GLY A 104 94.604 -22.954 -13.325 1.00 0.00 C ATOM 1891 O GLY A 104 95.095 -24.011 -13.772 1.00 0.00 O ATOM 1892 OXT GLY A 104 93.652 -22.361 -13.874 1.00 0.00 O ATOM 0 H GLY A 104 93.365 -21.314 -11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 104 96.024 -21.765 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 104 95.484 -23.190 -11.391 1.00 0.00 H new TER 1896 GLY A 104