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 -18 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A -20 MET N :NH3+ -171:sc= 0 (180deg=-0.0877) USER MOD Set 2.1: A -15 HIS : no HE2:sc= -0.222 X(o=-0.21,f=-0.0087) USER MOD Set 2.2: A -17 SER OG : rot 133:sc= 0.00753 USER MOD Set 3.1: A 11 GLN : amide:sc= -0.308 K(o=0.045,f=1.1) USER MOD Set 3.2: A 78 TYR OH : rot -122:sc= 0.352 USER MOD Set 4.1: A 40 TYR OH : rot 34:sc= 0.437 USER MOD Set 4.2: A 74 THR OG1 : rot 32:sc= 0.0775 USER MOD Set 4.3: A 92 ASN : amide:sc= -0.36 K(o=0.15,f=-5.2!) USER MOD Set 5.1: A 33 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.6!) USER MOD Set 5.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl -126:sc= -0.654 (180deg=-2.75) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= -0.026 (180deg=-0.174) USER MOD Single : A 5 THR OG1 : rot -168:sc= 1.58 USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -9 SER OG : rot -1:sc= 0.424 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= -0.0185 (180deg=-0.157) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 144:sc= 0.177 USER MOD Single : A 24 MET CE :methyl 174:sc= -0.63 (180deg=-0.707) USER MOD Single : A 25 CYS SG : rot -30:sc= -2.98! USER MOD Single : A 42 MET CE :methyl -143:sc= -0.219 (180deg=-0.828) USER MOD Single : A 48 THR OG1 : rot -39:sc= 1.31 USER MOD Single : A 55 THR OG1 : rot -80:sc= 1.21 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 180:sc= 0.00189 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 87 HIS : no HD1:sc=-0.000799 X(o=-0.0008,f=0) USER MOD Single : A 97 THR OG1 : rot 79:sc= 0.921 USER MOD Single : A 98 TYR OH : rot 130:sc= 0 USER MOD Single : A -10 SER OG : rot 5:sc= 0.735 USER MOD Single : A -11 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -13 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -20 MET CE :methyl 158:sc= -0.16 (180deg=-0.712) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0415 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -20 88.934 39.078 -36.554 1.00 0.00 N ATOM 2 CA MET A -20 87.601 39.635 -36.226 1.00 0.00 C ATOM 3 C MET A -20 86.857 38.697 -35.284 1.00 0.00 C ATOM 4 O MET A -20 86.423 37.617 -35.686 1.00 0.00 O ATOM 5 CB MET A -20 86.783 39.861 -37.500 1.00 0.00 C ATOM 6 CG MET A -20 87.372 40.914 -38.426 1.00 0.00 C ATOM 7 SD MET A -20 86.357 41.206 -39.888 1.00 0.00 S ATOM 8 CE MET A -20 84.850 41.818 -39.137 1.00 0.00 C ATOM 0 H1 MET A -20 89.490 39.790 -37.069 1.00 0.00 H new ATOM 0 H2 MET A -20 89.429 38.821 -35.676 1.00 0.00 H new ATOM 0 H3 MET A -20 88.820 38.231 -37.147 1.00 0.00 H new ATOM 0 HA MET A -20 87.741 40.596 -35.731 1.00 0.00 H new ATOM 0 HB2 MET A -20 86.702 38.918 -38.041 1.00 0.00 H new ATOM 0 HB3 MET A -20 85.771 40.158 -37.224 1.00 0.00 H new ATOM 0 HG2 MET A -20 87.489 41.849 -37.878 1.00 0.00 H new ATOM 0 HG3 MET A -20 88.368 40.601 -38.738 1.00 0.00 H new ATOM 0 HE1 MET A -20 84.287 42.396 -39.870 1.00 0.00 H new ATOM 0 HE2 MET A -20 84.246 40.977 -38.797 1.00 0.00 H new ATOM 0 HE3 MET A -20 85.099 42.453 -38.287 1.00 0.00 H new ATOM 20 N GLY A -19 86.725 39.105 -34.026 1.00 0.00 N ATOM 21 CA GLY A -19 86.105 38.255 -33.028 1.00 0.00 C ATOM 22 C GLY A -19 87.110 37.305 -32.412 1.00 0.00 C ATOM 23 O GLY A -19 86.756 36.411 -31.641 1.00 0.00 O ATOM 0 H GLY A -19 87.038 40.012 -33.680 1.00 0.00 H new ATOM 0 HA2 GLY A -19 85.660 38.872 -32.248 1.00 0.00 H new ATOM 0 HA3 GLY A -19 85.296 37.685 -33.485 1.00 0.00 H new ATOM 27 N SER A -18 88.371 37.513 -32.750 1.00 0.00 N ATOM 28 CA SER A -18 89.443 36.652 -32.299 1.00 0.00 C ATOM 29 C SER A -18 90.036 37.177 -30.997 1.00 0.00 C ATOM 30 O SER A -18 89.908 38.364 -30.682 1.00 0.00 O ATOM 31 CB SER A -18 90.520 36.582 -33.380 1.00 0.00 C ATOM 32 OG SER A -18 89.951 36.246 -34.637 1.00 0.00 O ATOM 0 H SER A -18 88.677 38.283 -33.344 1.00 0.00 H new ATOM 0 HA SER A -18 89.048 35.653 -32.115 1.00 0.00 H new ATOM 0 HB2 SER A -18 91.032 37.541 -33.452 1.00 0.00 H new ATOM 0 HB3 SER A -18 91.270 35.840 -33.105 1.00 0.00 H new ATOM 0 HG SER A -18 90.657 36.208 -35.316 1.00 0.00 H new ATOM 38 N SER A -17 90.666 36.296 -30.237 1.00 0.00 N ATOM 39 CA SER A -17 91.304 36.681 -28.989 1.00 0.00 C ATOM 40 C SER A -17 92.438 35.719 -28.645 1.00 0.00 C ATOM 41 O SER A -17 92.422 34.555 -29.052 1.00 0.00 O ATOM 42 CB SER A -17 90.272 36.709 -27.860 1.00 0.00 C ATOM 43 OG SER A -17 89.559 35.485 -27.785 1.00 0.00 O ATOM 0 H SER A -17 90.749 35.305 -30.464 1.00 0.00 H new ATOM 0 HA SER A -17 91.726 37.679 -29.108 1.00 0.00 H new ATOM 0 HB2 SER A -17 90.773 36.900 -26.911 1.00 0.00 H new ATOM 0 HB3 SER A -17 89.574 37.530 -28.023 1.00 0.00 H new ATOM 0 HG SER A -17 89.528 35.181 -26.854 1.00 0.00 H new ATOM 49 N HIS A -16 93.437 36.218 -27.929 1.00 0.00 N ATOM 50 CA HIS A -16 94.528 35.384 -27.449 1.00 0.00 C ATOM 51 C HIS A -16 94.688 35.576 -25.951 1.00 0.00 C ATOM 52 O HIS A -16 95.282 36.555 -25.500 1.00 0.00 O ATOM 53 CB HIS A -16 95.843 35.713 -28.163 1.00 0.00 C ATOM 54 CG HIS A -16 95.797 35.496 -29.645 1.00 0.00 C ATOM 55 ND1 HIS A -16 96.176 34.319 -30.247 1.00 0.00 N ATOM 56 CD2 HIS A -16 95.410 36.319 -30.645 1.00 0.00 C ATOM 57 CE1 HIS A -16 96.024 34.428 -31.554 1.00 0.00 C ATOM 58 NE2 HIS A -16 95.559 35.632 -31.821 1.00 0.00 N ATOM 0 H HIS A -16 93.513 37.201 -27.668 1.00 0.00 H new ATOM 0 HA HIS A -16 94.285 34.344 -27.666 1.00 0.00 H new ATOM 0 HB2 HIS A -16 96.103 36.753 -27.965 1.00 0.00 H new ATOM 0 HB3 HIS A -16 96.639 35.100 -27.740 1.00 0.00 H new ATOM 0 HD2 HIS A -16 95.050 37.331 -30.537 1.00 0.00 H new ATOM 0 HE1 HIS A -16 96.244 33.660 -32.281 1.00 0.00 H new ATOM 0 HE2 HIS A -16 95.345 35.993 -32.751 1.00 0.00 H new ATOM 67 N HIS A -15 94.127 34.652 -25.189 1.00 0.00 N ATOM 68 CA HIS A -15 94.131 34.747 -23.739 1.00 0.00 C ATOM 69 C HIS A -15 95.505 34.403 -23.183 1.00 0.00 C ATOM 70 O HIS A -15 96.009 33.294 -23.372 1.00 0.00 O ATOM 71 CB HIS A -15 93.061 33.828 -23.137 1.00 0.00 C ATOM 72 CG HIS A -15 91.658 34.255 -23.458 1.00 0.00 C ATOM 73 ND1 HIS A -15 90.650 34.296 -22.521 1.00 0.00 N ATOM 74 CD2 HIS A -15 91.096 34.662 -24.622 1.00 0.00 C ATOM 75 CE1 HIS A -15 89.536 34.711 -23.094 1.00 0.00 C ATOM 76 NE2 HIS A -15 89.779 34.942 -24.368 1.00 0.00 N ATOM 0 H HIS A -15 93.660 33.822 -25.554 1.00 0.00 H new ATOM 0 HA HIS A -15 93.897 35.775 -23.462 1.00 0.00 H new ATOM 0 HB2 HIS A -15 93.217 32.813 -23.503 1.00 0.00 H new ATOM 0 HB3 HIS A -15 93.185 33.799 -22.054 1.00 0.00 H new ATOM 0 HD1 HIS A -15 90.749 34.045 -21.537 1.00 0.00 H new ATOM 0 HD2 HIS A -15 91.595 34.750 -25.576 1.00 0.00 H new ATOM 0 HE1 HIS A -15 88.584 34.840 -22.601 1.00 0.00 H new ATOM 85 N HIS A -14 96.105 35.370 -22.510 1.00 0.00 N ATOM 86 CA HIS A -14 97.443 35.215 -21.960 1.00 0.00 C ATOM 87 C HIS A -14 97.379 34.597 -20.570 1.00 0.00 C ATOM 88 O HIS A -14 96.323 34.594 -19.933 1.00 0.00 O ATOM 89 CB HIS A -14 98.154 36.571 -21.885 1.00 0.00 C ATOM 90 CG HIS A -14 98.214 37.306 -23.191 1.00 0.00 C ATOM 91 ND1 HIS A -14 97.522 38.474 -23.428 1.00 0.00 N ATOM 92 CD2 HIS A -14 98.899 37.043 -24.327 1.00 0.00 C ATOM 93 CE1 HIS A -14 97.777 38.894 -24.652 1.00 0.00 C ATOM 94 NE2 HIS A -14 98.611 38.045 -25.220 1.00 0.00 N ATOM 0 H HIS A -14 95.682 36.280 -22.329 1.00 0.00 H new ATOM 0 HA HIS A -14 98.005 34.554 -22.619 1.00 0.00 H new ATOM 0 HB2 HIS A -14 97.644 37.196 -21.152 1.00 0.00 H new ATOM 0 HB3 HIS A -14 99.170 36.417 -21.521 1.00 0.00 H new ATOM 0 HD2 HIS A -14 99.552 36.200 -24.500 1.00 0.00 H new ATOM 0 HE1 HIS A -14 97.371 39.783 -25.112 1.00 0.00 H new ATOM 0 HE2 HIS A -14 98.981 38.120 -26.167 1.00 0.00 H new ATOM 103 N HIS A -13 98.517 34.097 -20.093 1.00 0.00 N ATOM 104 CA HIS A -13 98.602 33.501 -18.759 1.00 0.00 C ATOM 105 C HIS A -13 98.226 34.518 -17.694 1.00 0.00 C ATOM 106 O HIS A -13 97.600 34.178 -16.693 1.00 0.00 O ATOM 107 CB HIS A -13 100.016 32.983 -18.470 1.00 0.00 C ATOM 108 CG HIS A -13 100.472 31.884 -19.377 1.00 0.00 C ATOM 109 ND1 HIS A -13 101.613 31.972 -20.141 1.00 0.00 N ATOM 110 CD2 HIS A -13 99.948 30.662 -19.626 1.00 0.00 C ATOM 111 CE1 HIS A -13 101.773 30.856 -20.822 1.00 0.00 C ATOM 112 NE2 HIS A -13 100.776 30.043 -20.528 1.00 0.00 N ATOM 0 H HIS A -13 99.396 34.092 -20.611 1.00 0.00 H new ATOM 0 HA HIS A -13 97.904 32.665 -18.734 1.00 0.00 H new ATOM 0 HB2 HIS A -13 100.717 33.814 -18.547 1.00 0.00 H new ATOM 0 HB3 HIS A -13 100.055 32.627 -17.440 1.00 0.00 H new ATOM 0 HD2 HIS A -13 99.047 30.251 -19.196 1.00 0.00 H new ATOM 0 HE1 HIS A -13 102.582 30.643 -21.505 1.00 0.00 H new ATOM 0 HE2 HIS A -13 100.643 29.106 -20.909 1.00 0.00 H new ATOM 121 N HIS A -12 98.594 35.772 -17.935 1.00 0.00 N ATOM 122 CA HIS A -12 98.358 36.853 -16.981 1.00 0.00 C ATOM 123 C HIS A -12 96.861 37.103 -16.787 1.00 0.00 C ATOM 124 O HIS A -12 96.442 37.663 -15.773 1.00 0.00 O ATOM 125 CB HIS A -12 99.050 38.133 -17.467 1.00 0.00 C ATOM 126 CG HIS A -12 99.051 39.250 -16.465 1.00 0.00 C ATOM 127 ND1 HIS A -12 100.057 39.428 -15.542 1.00 0.00 N ATOM 128 CD2 HIS A -12 98.165 40.251 -16.247 1.00 0.00 C ATOM 129 CE1 HIS A -12 99.789 40.485 -14.798 1.00 0.00 C ATOM 130 NE2 HIS A -12 98.646 41.003 -15.204 1.00 0.00 N ATOM 0 H HIS A -12 99.062 36.068 -18.792 1.00 0.00 H new ATOM 0 HA HIS A -12 98.776 36.559 -16.018 1.00 0.00 H new ATOM 0 HB2 HIS A -12 100.081 37.897 -17.732 1.00 0.00 H new ATOM 0 HB3 HIS A -12 98.557 38.476 -18.377 1.00 0.00 H new ATOM 0 HD2 HIS A -12 97.249 40.425 -16.793 1.00 0.00 H new ATOM 0 HE1 HIS A -12 100.402 40.862 -13.993 1.00 0.00 H new ATOM 0 HE2 HIS A -12 98.194 41.827 -14.808 1.00 0.00 H new ATOM 139 N HIS A -11 96.064 36.667 -17.754 1.00 0.00 N ATOM 140 CA HIS A -11 94.622 36.873 -17.709 1.00 0.00 C ATOM 141 C HIS A -11 93.964 35.797 -16.846 1.00 0.00 C ATOM 142 O HIS A -11 92.756 35.821 -16.609 1.00 0.00 O ATOM 143 CB HIS A -11 94.050 36.854 -19.133 1.00 0.00 C ATOM 144 CG HIS A -11 92.639 37.355 -19.243 1.00 0.00 C ATOM 145 ND1 HIS A -11 92.322 38.693 -19.326 1.00 0.00 N ATOM 146 CD2 HIS A -11 91.461 36.689 -19.296 1.00 0.00 C ATOM 147 CE1 HIS A -11 91.013 38.828 -19.425 1.00 0.00 C ATOM 148 NE2 HIS A -11 90.467 37.628 -19.409 1.00 0.00 N ATOM 0 H HIS A -11 96.392 36.168 -18.581 1.00 0.00 H new ATOM 0 HA HIS A -11 94.411 37.845 -17.263 1.00 0.00 H new ATOM 0 HB2 HIS A -11 94.689 37.460 -19.776 1.00 0.00 H new ATOM 0 HB3 HIS A -11 94.091 35.834 -19.514 1.00 0.00 H new ATOM 0 HD2 HIS A -11 91.329 35.618 -19.257 1.00 0.00 H new ATOM 0 HE1 HIS A -11 90.479 39.763 -19.506 1.00 0.00 H new ATOM 0 HE2 HIS A -11 89.468 37.430 -19.471 1.00 0.00 H new ATOM 157 N SER A -10 94.768 34.859 -16.376 1.00 0.00 N ATOM 158 CA SER A -10 94.281 33.780 -15.535 1.00 0.00 C ATOM 159 C SER A -10 95.147 33.652 -14.287 1.00 0.00 C ATOM 160 O SER A -10 96.279 34.141 -14.254 1.00 0.00 O ATOM 161 CB SER A -10 94.272 32.468 -16.323 1.00 0.00 C ATOM 162 OG SER A -10 95.530 32.229 -16.935 1.00 0.00 O ATOM 0 H SER A -10 95.770 34.824 -16.565 1.00 0.00 H new ATOM 0 HA SER A -10 93.261 34.005 -15.222 1.00 0.00 H new ATOM 0 HB2 SER A -10 94.026 31.642 -15.656 1.00 0.00 H new ATOM 0 HB3 SER A -10 93.494 32.504 -17.086 1.00 0.00 H new ATOM 0 HG SER A -10 96.165 32.922 -16.658 1.00 0.00 H new ATOM 168 N SER A -9 94.606 33.027 -13.255 1.00 0.00 N ATOM 169 CA SER A -9 95.354 32.775 -12.033 1.00 0.00 C ATOM 170 C SER A -9 94.834 31.508 -11.361 1.00 0.00 C ATOM 171 O SER A -9 93.633 31.225 -11.400 1.00 0.00 O ATOM 172 CB SER A -9 95.259 33.980 -11.094 1.00 0.00 C ATOM 173 OG SER A -9 95.832 35.133 -11.699 1.00 0.00 O ATOM 0 H SER A -9 93.646 32.683 -13.239 1.00 0.00 H new ATOM 0 HA SER A -9 96.406 32.626 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A -9 94.215 34.173 -10.846 1.00 0.00 H new ATOM 0 HB3 SER A -9 95.773 33.760 -10.158 1.00 0.00 H new ATOM 0 HG SER A -9 96.184 34.898 -12.583 1.00 0.00 H new ATOM 179 N GLY A -8 95.739 30.742 -10.767 1.00 0.00 N ATOM 180 CA GLY A -8 95.374 29.454 -10.213 1.00 0.00 C ATOM 181 C GLY A -8 95.312 28.397 -11.295 1.00 0.00 C ATOM 182 O GLY A -8 94.286 27.747 -11.486 1.00 0.00 O ATOM 0 H GLY A -8 96.722 30.991 -10.659 1.00 0.00 H new ATOM 0 HA2 GLY A -8 96.100 29.161 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A -8 94.407 29.529 -9.716 1.00 0.00 H new ATOM 186 N LEU A -7 96.418 28.234 -12.008 1.00 0.00 N ATOM 187 CA LEU A -7 96.465 27.339 -13.154 1.00 0.00 C ATOM 188 C LEU A -7 96.938 25.953 -12.744 1.00 0.00 C ATOM 189 O LEU A -7 96.389 24.944 -13.187 1.00 0.00 O ATOM 190 CB LEU A -7 97.390 27.885 -14.253 1.00 0.00 C ATOM 191 CG LEU A -7 96.964 29.209 -14.901 1.00 0.00 C ATOM 192 CD1 LEU A -7 97.306 30.394 -14.009 1.00 0.00 C ATOM 193 CD2 LEU A -7 97.617 29.365 -16.266 1.00 0.00 C ATOM 0 H LEU A -7 97.297 28.712 -11.811 1.00 0.00 H new ATOM 0 HA LEU A -7 95.451 27.271 -13.548 1.00 0.00 H new ATOM 0 HB2 LEU A -7 98.386 28.016 -13.829 1.00 0.00 H new ATOM 0 HB3 LEU A -7 97.473 27.131 -15.036 1.00 0.00 H new ATOM 0 HG LEU A -7 95.882 29.188 -15.030 1.00 0.00 H new ATOM 0 HD11 LEU A -7 96.992 31.318 -14.495 1.00 0.00 H new ATOM 0 HD12 LEU A -7 96.789 30.292 -13.055 1.00 0.00 H new ATOM 0 HD13 LEU A -7 98.382 30.422 -13.838 1.00 0.00 H new ATOM 0 HD21 LEU A -7 97.305 30.309 -16.713 1.00 0.00 H new ATOM 0 HD22 LEU A -7 98.701 29.358 -16.154 1.00 0.00 H new ATOM 0 HD23 LEU A -7 97.313 28.540 -16.911 1.00 0.00 H new ATOM 205 N VAL A -6 97.952 25.902 -11.893 1.00 0.00 N ATOM 206 CA VAL A -6 98.547 24.632 -11.505 1.00 0.00 C ATOM 207 C VAL A -6 98.042 24.158 -10.141 1.00 0.00 C ATOM 208 O VAL A -6 98.220 24.831 -9.125 1.00 0.00 O ATOM 209 CB VAL A -6 100.093 24.696 -11.503 1.00 0.00 C ATOM 210 CG1 VAL A -6 100.619 24.845 -12.922 1.00 0.00 C ATOM 211 CG2 VAL A -6 100.603 25.839 -10.632 1.00 0.00 C ATOM 0 H VAL A -6 98.378 26.721 -11.460 1.00 0.00 H new ATOM 0 HA VAL A -6 98.235 23.907 -12.257 1.00 0.00 H new ATOM 0 HB VAL A -6 100.463 23.761 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL A -6 101.708 24.889 -12.904 1.00 0.00 H new ATOM 0 HG12 VAL A -6 100.300 23.991 -13.520 1.00 0.00 H new ATOM 0 HG13 VAL A -6 100.227 25.762 -13.361 1.00 0.00 H new ATOM 0 HG21 VAL A -6 101.693 25.855 -10.653 1.00 0.00 H new ATOM 0 HG22 VAL A -6 100.219 26.786 -11.012 1.00 0.00 H new ATOM 0 HG23 VAL A -6 100.262 25.695 -9.607 1.00 0.00 H new ATOM 221 N PRO A -5 97.368 22.998 -10.116 1.00 0.00 N ATOM 222 CA PRO A -5 96.941 22.353 -8.880 1.00 0.00 C ATOM 223 C PRO A -5 98.093 21.596 -8.233 1.00 0.00 C ATOM 224 O PRO A -5 98.750 20.777 -8.882 1.00 0.00 O ATOM 225 CB PRO A -5 95.841 21.376 -9.328 1.00 0.00 C ATOM 226 CG PRO A -5 95.691 21.563 -10.806 1.00 0.00 C ATOM 227 CD PRO A -5 96.951 22.222 -11.287 1.00 0.00 C ATOM 0 HA PRO A -5 96.593 23.071 -8.137 1.00 0.00 H new ATOM 0 HB2 PRO A -5 96.114 20.348 -9.092 1.00 0.00 H new ATOM 0 HB3 PRO A -5 94.903 21.583 -8.812 1.00 0.00 H new ATOM 0 HG2 PRO A -5 95.541 20.605 -11.304 1.00 0.00 H new ATOM 0 HG3 PRO A -5 94.821 22.180 -11.032 1.00 0.00 H new ATOM 0 HD2 PRO A -5 97.705 21.491 -11.580 1.00 0.00 H new ATOM 0 HD3 PRO A -5 96.771 22.859 -12.153 1.00 0.00 H new ATOM 235 N ARG A -4 98.344 21.873 -6.967 1.00 0.00 N ATOM 236 CA ARG A -4 99.446 21.246 -6.262 1.00 0.00 C ATOM 237 C ARG A -4 98.960 20.624 -4.964 1.00 0.00 C ATOM 238 O ARG A -4 98.332 21.291 -4.142 1.00 0.00 O ATOM 239 CB ARG A -4 100.540 22.275 -5.983 1.00 0.00 C ATOM 240 CG ARG A -4 101.803 21.685 -5.382 1.00 0.00 C ATOM 241 CD ARG A -4 102.887 22.738 -5.260 1.00 0.00 C ATOM 242 NE ARG A -4 103.180 23.362 -6.551 1.00 0.00 N ATOM 243 CZ ARG A -4 103.687 24.586 -6.690 1.00 0.00 C ATOM 244 NH1 ARG A -4 104.005 25.306 -5.618 1.00 0.00 N ATOM 245 NH2 ARG A -4 103.897 25.085 -7.903 1.00 0.00 N ATOM 0 H ARG A -4 97.800 22.528 -6.406 1.00 0.00 H new ATOM 0 HA ARG A -4 99.859 20.455 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A -4 100.795 22.781 -6.914 1.00 0.00 H new ATOM 0 HB3 ARG A -4 100.147 23.033 -5.306 1.00 0.00 H new ATOM 0 HG2 ARG A -4 101.583 21.269 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A -4 102.157 20.863 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG A -4 102.574 23.502 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A -4 103.794 22.283 -4.861 1.00 0.00 H new ATOM 0 HE ARG A -4 102.984 22.827 -7.397 1.00 0.00 H new ATOM 0 HH11 ARG A -4 103.861 24.921 -4.684 1.00 0.00 H new ATOM 0 HH12 ARG A -4 104.393 26.243 -5.730 1.00 0.00 H new ATOM 0 HH21 ARG A -4 103.670 24.531 -8.729 1.00 0.00 H new ATOM 0 HH22 ARG A -4 104.285 26.022 -8.009 1.00 0.00 H new ATOM 259 N GLY A -3 99.244 19.344 -4.796 1.00 0.00 N ATOM 260 CA GLY A -3 98.846 18.641 -3.598 1.00 0.00 C ATOM 261 C GLY A -3 99.461 17.263 -3.538 1.00 0.00 C ATOM 262 O GLY A -3 100.417 16.976 -4.262 1.00 0.00 O ATOM 0 H GLY A -3 99.748 18.775 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A -3 99.147 19.214 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A -3 97.760 18.558 -3.567 1.00 0.00 H new ATOM 266 N SER A -2 98.913 16.409 -2.691 1.00 0.00 N ATOM 267 CA SER A -2 99.411 15.051 -2.543 1.00 0.00 C ATOM 268 C SER A -2 98.306 14.171 -1.971 1.00 0.00 C ATOM 269 O SER A -2 97.714 14.494 -0.941 1.00 0.00 O ATOM 270 CB SER A -2 100.645 15.035 -1.631 1.00 0.00 C ATOM 271 OG SER A -2 101.330 13.795 -1.700 1.00 0.00 O ATOM 0 H SER A -2 98.119 16.633 -2.092 1.00 0.00 H new ATOM 0 HA SER A -2 99.707 14.662 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A -2 101.321 15.841 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A -2 100.340 15.226 -0.602 1.00 0.00 H new ATOM 0 HG SER A -2 102.111 13.819 -1.109 1.00 0.00 H new ATOM 277 N HIS A -1 98.006 13.079 -2.656 1.00 0.00 N ATOM 278 CA HIS A -1 96.925 12.198 -2.237 1.00 0.00 C ATOM 279 C HIS A -1 97.437 10.781 -2.041 1.00 0.00 C ATOM 280 O HIS A -1 98.442 10.387 -2.632 1.00 0.00 O ATOM 281 CB HIS A -1 95.800 12.191 -3.276 1.00 0.00 C ATOM 282 CG HIS A -1 95.220 13.542 -3.559 1.00 0.00 C ATOM 283 ND1 HIS A -1 95.652 14.338 -4.594 1.00 0.00 N ATOM 284 CD2 HIS A -1 94.237 14.236 -2.940 1.00 0.00 C ATOM 285 CE1 HIS A -1 94.962 15.460 -4.603 1.00 0.00 C ATOM 286 NE2 HIS A -1 94.096 15.426 -3.609 1.00 0.00 N ATOM 0 H HIS A -1 98.493 12.781 -3.501 1.00 0.00 H new ATOM 0 HA HIS A -1 96.535 12.573 -1.291 1.00 0.00 H new ATOM 0 HB2 HIS A -1 96.182 11.769 -4.206 1.00 0.00 H new ATOM 0 HB3 HIS A -1 95.004 11.531 -2.930 1.00 0.00 H new ATOM 0 HD2 HIS A -1 93.669 13.914 -2.080 1.00 0.00 H new ATOM 0 HE1 HIS A -1 95.085 16.271 -5.306 1.00 0.00 H new ATOM 0 HE2 HIS A -1 93.431 16.163 -3.376 1.00 0.00 H new ATOM 295 N MET A 0 96.744 10.023 -1.205 1.00 0.00 N ATOM 296 CA MET A 0 97.051 8.613 -1.021 1.00 0.00 C ATOM 297 C MET A 0 96.714 7.833 -2.281 1.00 0.00 C ATOM 298 O MET A 0 95.639 7.998 -2.851 1.00 0.00 O ATOM 299 CB MET A 0 96.272 8.041 0.167 1.00 0.00 C ATOM 300 CG MET A 0 96.946 8.269 1.507 1.00 0.00 C ATOM 301 SD MET A 0 98.505 7.373 1.651 1.00 0.00 S ATOM 302 CE MET A 0 97.945 5.680 1.477 1.00 0.00 C ATOM 0 H MET A 0 95.964 10.362 -0.642 1.00 0.00 H new ATOM 0 HA MET A 0 98.118 8.520 -0.817 1.00 0.00 H new ATOM 0 HB2 MET A 0 95.279 8.490 0.189 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.134 6.970 0.018 1.00 0.00 H new ATOM 0 HG2 MET A 0 97.128 9.335 1.643 1.00 0.00 H new ATOM 0 HG3 MET A 0 96.275 7.956 2.307 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.295 5.092 2.325 1.00 0.00 H new ATOM 0 HE2 MET A 0 96.856 5.659 1.445 1.00 0.00 H new ATOM 0 HE3 MET A 0 98.343 5.258 0.554 1.00 0.00 H new ATOM 312 N MET A 1 97.635 6.981 -2.712 1.00 0.00 N ATOM 313 CA MET A 1 97.422 6.158 -3.898 1.00 0.00 C ATOM 314 C MET A 1 96.664 4.885 -3.545 1.00 0.00 C ATOM 315 O MET A 1 96.830 3.845 -4.185 1.00 0.00 O ATOM 316 CB MET A 1 98.753 5.805 -4.562 1.00 0.00 C ATOM 317 CG MET A 1 99.445 6.991 -5.211 1.00 0.00 C ATOM 318 SD MET A 1 100.858 6.501 -6.215 1.00 0.00 S ATOM 319 CE MET A 1 101.418 8.100 -6.784 1.00 0.00 C ATOM 0 H MET A 1 98.538 6.841 -2.258 1.00 0.00 H new ATOM 0 HA MET A 1 96.824 6.737 -4.601 1.00 0.00 H new ATOM 0 HB2 MET A 1 99.418 5.372 -3.815 1.00 0.00 H new ATOM 0 HB3 MET A 1 98.580 5.039 -5.317 1.00 0.00 H new ATOM 0 HG2 MET A 1 98.730 7.528 -5.834 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.776 7.683 -4.436 1.00 0.00 H new ATOM 0 HE1 MET A 1 102.292 7.973 -7.422 1.00 0.00 H new ATOM 0 HE2 MET A 1 100.622 8.584 -7.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 101.681 8.720 -5.927 1.00 0.00 H new ATOM 329 N PHE A 2 95.823 4.984 -2.530 1.00 0.00 N ATOM 330 CA PHE A 2 94.988 3.880 -2.103 1.00 0.00 C ATOM 331 C PHE A 2 93.540 4.197 -2.438 1.00 0.00 C ATOM 332 O PHE A 2 93.082 5.313 -2.208 1.00 0.00 O ATOM 333 CB PHE A 2 95.145 3.647 -0.594 1.00 0.00 C ATOM 334 CG PHE A 2 94.298 2.527 -0.056 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.783 1.230 -0.024 1.00 0.00 C ATOM 336 CD2 PHE A 2 93.017 2.771 0.418 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.009 0.198 0.471 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.239 1.743 0.913 1.00 0.00 C ATOM 339 CZ PHE A 2 92.735 0.455 0.938 1.00 0.00 C ATOM 0 H PHE A 2 95.701 5.834 -1.980 1.00 0.00 H new ATOM 0 HA PHE A 2 95.292 2.971 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 2 96.192 3.434 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.891 4.566 -0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.778 1.023 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.624 3.777 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.400 -0.809 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 2 91.244 1.946 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.127 -0.351 1.322 1.00 0.00 H new ATOM 349 N LYS A 3 92.827 3.234 -2.992 1.00 0.00 N ATOM 350 CA LYS A 3 91.427 3.437 -3.320 1.00 0.00 C ATOM 351 C LYS A 3 90.680 2.118 -3.358 1.00 0.00 C ATOM 352 O LYS A 3 91.072 1.192 -4.067 1.00 0.00 O ATOM 353 CB LYS A 3 91.276 4.153 -4.668 1.00 0.00 C ATOM 354 CG LYS A 3 89.827 4.340 -5.090 1.00 0.00 C ATOM 355 CD LYS A 3 89.710 5.028 -6.438 1.00 0.00 C ATOM 356 CE LYS A 3 88.262 5.104 -6.896 1.00 0.00 C ATOM 357 NZ LYS A 3 87.409 5.855 -5.937 1.00 0.00 N ATOM 0 H LYS A 3 93.190 2.309 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 3 90.997 4.063 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 3 91.759 5.128 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 3 91.800 3.583 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 3 89.335 3.369 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 3 89.303 4.928 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 3 90.126 6.033 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 3 90.300 4.486 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 3 88.216 5.584 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 3 87.868 4.095 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 86.471 6.014 -6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 87.307 5.306 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 87.852 6.771 -5.722 1.00 0.00 H new ATOM 371 N LEU A 4 89.618 2.029 -2.578 1.00 0.00 N ATOM 372 CA LEU A 4 88.713 0.899 -2.659 1.00 0.00 C ATOM 373 C LEU A 4 87.537 1.240 -3.564 1.00 0.00 C ATOM 374 O LEU A 4 87.256 2.413 -3.815 1.00 0.00 O ATOM 375 CB LEU A 4 88.226 0.458 -1.269 1.00 0.00 C ATOM 376 CG LEU A 4 88.206 1.531 -0.173 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.226 2.648 -0.493 1.00 0.00 C ATOM 378 CD2 LEU A 4 87.860 0.904 1.168 1.00 0.00 C ATOM 0 H LEU A 4 89.361 2.727 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 4 89.259 0.058 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 4 87.217 0.059 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 4 88.860 -0.362 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 4 89.203 1.969 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.242 3.387 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 4 87.510 3.124 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 4 86.221 2.235 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 4 87.849 1.675 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.877 0.437 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 4 88.606 0.150 1.420 1.00 0.00 H new ATOM 390 N THR A 5 86.875 0.214 -4.068 1.00 0.00 N ATOM 391 CA THR A 5 85.738 0.401 -4.951 1.00 0.00 C ATOM 392 C THR A 5 84.521 0.887 -4.169 1.00 0.00 C ATOM 393 O THR A 5 84.461 0.728 -2.947 1.00 0.00 O ATOM 394 CB THR A 5 85.385 -0.913 -5.676 1.00 0.00 C ATOM 395 OG1 THR A 5 85.100 -1.939 -4.714 1.00 0.00 O ATOM 396 CG2 THR A 5 86.524 -1.355 -6.581 1.00 0.00 C ATOM 0 H THR A 5 87.107 -0.761 -3.880 1.00 0.00 H new ATOM 0 HA THR A 5 86.014 1.153 -5.690 1.00 0.00 H new ATOM 0 HB THR A 5 84.503 -0.740 -6.293 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.060 -2.808 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.251 -2.284 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 5 86.716 -0.584 -7.327 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.422 -1.514 -5.984 1.00 0.00 H new ATOM 404 N PRO A 6 83.535 1.491 -4.857 1.00 0.00 N ATOM 405 CA PRO A 6 82.279 1.912 -4.231 1.00 0.00 C ATOM 406 C PRO A 6 81.582 0.747 -3.534 1.00 0.00 C ATOM 407 O PRO A 6 80.890 0.929 -2.533 1.00 0.00 O ATOM 408 CB PRO A 6 81.431 2.428 -5.402 1.00 0.00 C ATOM 409 CG PRO A 6 82.117 1.946 -6.637 1.00 0.00 C ATOM 410 CD PRO A 6 83.571 1.830 -6.286 1.00 0.00 C ATOM 0 HA PRO A 6 82.439 2.664 -3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.411 2.047 -5.346 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.366 3.516 -5.389 1.00 0.00 H new ATOM 0 HG2 PRO A 6 81.715 0.984 -6.956 1.00 0.00 H new ATOM 0 HG3 PRO A 6 81.969 2.643 -7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.068 1.057 -6.873 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.106 2.762 -6.467 1.00 0.00 H new ATOM 418 N ALA A 7 81.790 -0.454 -4.065 1.00 0.00 N ATOM 419 CA ALA A 7 81.234 -1.662 -3.477 1.00 0.00 C ATOM 420 C ALA A 7 81.948 -1.993 -2.173 1.00 0.00 C ATOM 421 O ALA A 7 81.309 -2.250 -1.152 1.00 0.00 O ATOM 422 CB ALA A 7 81.339 -2.824 -4.453 1.00 0.00 C ATOM 0 H ALA A 7 82.343 -0.614 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 7 80.180 -1.490 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 7 80.919 -3.721 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 7 80.788 -2.586 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.386 -2.999 -4.699 1.00 0.00 H new ATOM 428 N ALA A 8 83.277 -1.967 -2.208 1.00 0.00 N ATOM 429 CA ALA A 8 84.078 -2.221 -1.020 1.00 0.00 C ATOM 430 C ALA A 8 83.782 -1.187 0.060 1.00 0.00 C ATOM 431 O ALA A 8 83.657 -1.524 1.237 1.00 0.00 O ATOM 432 CB ALA A 8 85.559 -2.227 -1.368 1.00 0.00 C ATOM 0 H ALA A 8 83.821 -1.772 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 8 83.813 -3.204 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 8 86.143 -2.418 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.757 -3.008 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.839 -1.259 -1.783 1.00 0.00 H new ATOM 438 N ALA A 9 83.648 0.069 -0.356 1.00 0.00 N ATOM 439 CA ALA A 9 83.331 1.157 0.562 1.00 0.00 C ATOM 440 C ALA A 9 81.997 0.914 1.260 1.00 0.00 C ATOM 441 O ALA A 9 81.864 1.141 2.462 1.00 0.00 O ATOM 442 CB ALA A 9 83.307 2.483 -0.181 1.00 0.00 C ATOM 0 H ALA A 9 83.755 0.359 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 9 84.109 1.195 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 9 83.069 3.286 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.284 2.668 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.551 2.447 -0.965 1.00 0.00 H new ATOM 448 N GLU A 10 81.015 0.435 0.506 1.00 0.00 N ATOM 449 CA GLU A 10 79.701 0.152 1.066 1.00 0.00 C ATOM 450 C GLU A 10 79.725 -1.097 1.938 1.00 0.00 C ATOM 451 O GLU A 10 78.892 -1.251 2.829 1.00 0.00 O ATOM 452 CB GLU A 10 78.650 0.003 -0.031 1.00 0.00 C ATOM 453 CG GLU A 10 78.206 1.328 -0.624 1.00 0.00 C ATOM 454 CD GLU A 10 76.957 1.195 -1.465 1.00 0.00 C ATOM 455 OE1 GLU A 10 76.076 0.385 -1.104 1.00 0.00 O ATOM 456 OE2 GLU A 10 76.828 1.924 -2.468 1.00 0.00 O ATOM 0 H GLU A 10 81.104 0.235 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 10 79.431 1.003 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 10 79.051 -0.626 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 10 77.781 -0.514 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 78.024 2.040 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 10 79.010 1.737 -1.236 1.00 0.00 H new ATOM 463 N GLN A 11 80.674 -1.988 1.685 1.00 0.00 N ATOM 464 CA GLN A 11 80.839 -3.169 2.521 1.00 0.00 C ATOM 465 C GLN A 11 81.438 -2.766 3.864 1.00 0.00 C ATOM 466 O GLN A 11 81.118 -3.345 4.905 1.00 0.00 O ATOM 467 CB GLN A 11 81.723 -4.206 1.825 1.00 0.00 C ATOM 468 CG GLN A 11 81.740 -5.563 2.516 1.00 0.00 C ATOM 469 CD GLN A 11 80.351 -6.164 2.658 1.00 0.00 C ATOM 470 OE1 GLN A 11 79.864 -6.856 1.763 1.00 0.00 O ATOM 471 NE2 GLN A 11 79.710 -5.918 3.789 1.00 0.00 N ATOM 0 H GLN A 11 81.337 -1.917 0.913 1.00 0.00 H new ATOM 0 HA GLN A 11 79.862 -3.622 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 11 81.377 -4.335 0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.742 -3.823 1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 11 82.372 -6.247 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 11 82.189 -5.458 3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 11 80.146 -5.340 4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 11 78.779 -6.306 3.943 1.00 0.00 H new ATOM 480 N VAL A 12 82.306 -1.761 3.831 1.00 0.00 N ATOM 481 CA VAL A 12 82.849 -1.174 5.047 1.00 0.00 C ATOM 482 C VAL A 12 81.748 -0.413 5.783 1.00 0.00 C ATOM 483 O VAL A 12 81.626 -0.500 7.006 1.00 0.00 O ATOM 484 CB VAL A 12 84.029 -0.223 4.742 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.588 0.382 6.021 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.124 -0.953 3.981 1.00 0.00 C ATOM 0 H VAL A 12 82.649 -1.335 2.970 1.00 0.00 H new ATOM 0 HA VAL A 12 83.225 -1.982 5.674 1.00 0.00 H new ATOM 0 HB VAL A 12 83.652 0.587 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.417 1.047 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.806 0.948 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.942 -0.414 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.945 -0.266 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.490 -1.787 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.724 -1.330 3.040 1.00 0.00 H new ATOM 496 N LEU A 13 80.936 0.312 5.019 1.00 0.00 N ATOM 497 CA LEU A 13 79.780 1.016 5.565 1.00 0.00 C ATOM 498 C LEU A 13 78.822 0.026 6.225 1.00 0.00 C ATOM 499 O LEU A 13 78.242 0.314 7.269 1.00 0.00 O ATOM 500 CB LEU A 13 79.056 1.789 4.458 1.00 0.00 C ATOM 501 CG LEU A 13 77.826 2.583 4.907 1.00 0.00 C ATOM 502 CD1 LEU A 13 78.223 3.682 5.882 1.00 0.00 C ATOM 503 CD2 LEU A 13 77.105 3.169 3.704 1.00 0.00 C ATOM 0 H LEU A 13 81.059 0.428 4.013 1.00 0.00 H new ATOM 0 HA LEU A 13 80.128 1.724 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 13 79.764 2.478 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 13 78.750 1.083 3.686 1.00 0.00 H new ATOM 0 HG LEU A 13 77.145 1.903 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 13 77.335 4.234 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 13 78.695 3.238 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 13 78.924 4.362 5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 13 76.233 3.730 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 13 77.779 3.834 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 13 76.785 2.363 3.043 1.00 0.00 H new ATOM 515 N LYS A 14 78.668 -1.139 5.602 1.00 0.00 N ATOM 516 CA LYS A 14 77.858 -2.219 6.156 1.00 0.00 C ATOM 517 C LYS A 14 78.350 -2.590 7.554 1.00 0.00 C ATOM 518 O LYS A 14 77.561 -2.713 8.489 1.00 0.00 O ATOM 519 CB LYS A 14 77.919 -3.445 5.237 1.00 0.00 C ATOM 520 CG LYS A 14 77.156 -4.657 5.754 1.00 0.00 C ATOM 521 CD LYS A 14 75.653 -4.459 5.673 1.00 0.00 C ATOM 522 CE LYS A 14 74.899 -5.654 6.239 1.00 0.00 C ATOM 523 NZ LYS A 14 75.212 -6.920 5.515 1.00 0.00 N ATOM 0 H LYS A 14 79.099 -1.360 4.704 1.00 0.00 H new ATOM 0 HA LYS A 14 76.825 -1.878 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.522 -3.171 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.963 -3.723 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.438 -5.537 5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.441 -4.851 6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 14 75.374 -3.559 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.361 -4.303 4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.148 -5.771 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 14 73.827 -5.463 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.555 -7.666 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.111 -6.768 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.188 -7.209 5.728 1.00 0.00 H new ATOM 537 N ALA A 15 79.663 -2.748 7.688 1.00 0.00 N ATOM 538 CA ALA A 15 80.266 -3.105 8.966 1.00 0.00 C ATOM 539 C ALA A 15 80.065 -1.997 9.996 1.00 0.00 C ATOM 540 O ALA A 15 79.730 -2.264 11.151 1.00 0.00 O ATOM 541 CB ALA A 15 81.748 -3.402 8.784 1.00 0.00 C ATOM 0 H ALA A 15 80.330 -2.634 6.925 1.00 0.00 H new ATOM 0 HA ALA A 15 79.771 -4.002 9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 15 82.187 -3.667 9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 15 81.870 -4.232 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 15 82.250 -2.519 8.387 1.00 0.00 H new ATOM 547 N ALA A 16 80.260 -0.753 9.566 1.00 0.00 N ATOM 548 CA ALA A 16 80.078 0.400 10.440 1.00 0.00 C ATOM 549 C ALA A 16 78.631 0.508 10.903 1.00 0.00 C ATOM 550 O ALA A 16 78.359 0.816 12.063 1.00 0.00 O ATOM 551 CB ALA A 16 80.496 1.678 9.728 1.00 0.00 C ATOM 0 H ALA A 16 80.545 -0.519 8.615 1.00 0.00 H new ATOM 0 HA ALA A 16 80.710 0.262 11.317 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.354 2.529 10.394 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.547 1.610 9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.888 1.812 8.834 1.00 0.00 H new ATOM 557 N LYS A 17 77.712 0.239 9.985 1.00 0.00 N ATOM 558 CA LYS A 17 76.286 0.301 10.266 1.00 0.00 C ATOM 559 C LYS A 17 75.880 -0.791 11.256 1.00 0.00 C ATOM 560 O LYS A 17 75.015 -0.583 12.107 1.00 0.00 O ATOM 561 CB LYS A 17 75.507 0.162 8.956 1.00 0.00 C ATOM 562 CG LYS A 17 74.012 0.398 9.078 1.00 0.00 C ATOM 563 CD LYS A 17 73.354 0.391 7.709 1.00 0.00 C ATOM 564 CE LYS A 17 71.860 0.645 7.799 1.00 0.00 C ATOM 565 NZ LYS A 17 71.235 0.710 6.451 1.00 0.00 N ATOM 0 H LYS A 17 77.935 -0.028 9.026 1.00 0.00 H new ATOM 0 HA LYS A 17 76.053 1.263 10.722 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.914 0.866 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.672 -0.838 8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.567 -0.375 9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.829 1.353 9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.815 1.153 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.531 -0.570 7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.390 -0.148 8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.680 1.580 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.215 0.885 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.667 1.482 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.386 -0.191 5.955 1.00 0.00 H new ATOM 579 N GLN A 18 76.520 -1.951 11.143 1.00 0.00 N ATOM 580 CA GLN A 18 76.256 -3.065 12.048 1.00 0.00 C ATOM 581 C GLN A 18 76.851 -2.808 13.427 1.00 0.00 C ATOM 582 O GLN A 18 76.163 -2.926 14.442 1.00 0.00 O ATOM 583 CB GLN A 18 76.836 -4.365 11.491 1.00 0.00 C ATOM 584 CG GLN A 18 76.128 -4.886 10.255 1.00 0.00 C ATOM 585 CD GLN A 18 76.758 -6.159 9.727 1.00 0.00 C ATOM 586 OE1 GLN A 18 77.962 -6.378 9.868 1.00 0.00 O ATOM 587 NE2 GLN A 18 75.947 -7.023 9.140 1.00 0.00 N ATOM 0 H GLN A 18 77.226 -2.144 10.433 1.00 0.00 H new ATOM 0 HA GLN A 18 75.174 -3.158 12.138 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.888 -4.207 11.253 1.00 0.00 H new ATOM 0 HB3 GLN A 18 76.796 -5.129 12.267 1.00 0.00 H new ATOM 0 HG2 GLN A 18 75.080 -5.072 10.490 1.00 0.00 H new ATOM 0 HG3 GLN A 18 76.150 -4.123 9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 18 74.955 -6.806 9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 18 76.313 -7.907 8.786 1.00 0.00 H new ATOM 596 N GLY A 19 78.130 -2.456 13.456 1.00 0.00 N ATOM 597 CA GLY A 19 78.834 -2.304 14.716 1.00 0.00 C ATOM 598 C GLY A 19 78.506 -1.011 15.434 1.00 0.00 C ATOM 599 O GLY A 19 78.639 -0.924 16.655 1.00 0.00 O ATOM 0 H GLY A 19 78.695 -2.272 12.627 1.00 0.00 H new ATOM 0 HA2 GLY A 19 78.588 -3.144 15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 19 79.907 -2.347 14.532 1.00 0.00 H new ATOM 603 N GLY A 20 78.079 -0.007 14.681 1.00 0.00 N ATOM 604 CA GLY A 20 77.792 1.288 15.268 1.00 0.00 C ATOM 605 C GLY A 20 79.040 2.135 15.379 1.00 0.00 C ATOM 606 O GLY A 20 79.119 3.045 16.204 1.00 0.00 O ATOM 0 H GLY A 20 77.926 -0.065 13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 20 77.051 1.808 14.661 1.00 0.00 H new ATOM 0 HA3 GLY A 20 77.354 1.151 16.257 1.00 0.00 H new ATOM 610 N THR A 21 80.016 1.834 14.533 1.00 0.00 N ATOM 611 CA THR A 21 81.301 2.517 14.550 1.00 0.00 C ATOM 612 C THR A 21 81.344 3.624 13.500 1.00 0.00 C ATOM 613 O THR A 21 82.402 3.941 12.959 1.00 0.00 O ATOM 614 CB THR A 21 82.442 1.519 14.285 1.00 0.00 C ATOM 615 OG1 THR A 21 82.159 0.763 13.099 1.00 0.00 O ATOM 616 CG2 THR A 21 82.622 0.572 15.463 1.00 0.00 C ATOM 0 H THR A 21 79.939 1.111 13.818 1.00 0.00 H new ATOM 0 HA THR A 21 81.429 2.961 15.537 1.00 0.00 H new ATOM 0 HB THR A 21 83.365 2.082 14.151 1.00 0.00 H new ATOM 0 HG1 THR A 21 82.993 0.588 12.616 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.434 -0.123 15.250 1.00 0.00 H new ATOM 0 HG22 THR A 21 82.861 1.146 16.358 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.700 0.014 15.625 1.00 0.00 H new ATOM 624 N GLU A 22 80.187 4.221 13.241 1.00 0.00 N ATOM 625 CA GLU A 22 80.056 5.256 12.223 1.00 0.00 C ATOM 626 C GLU A 22 80.828 6.517 12.619 1.00 0.00 C ATOM 627 O GLU A 22 81.252 7.294 11.763 1.00 0.00 O ATOM 628 CB GLU A 22 78.577 5.585 12.012 1.00 0.00 C ATOM 629 CG GLU A 22 78.311 6.552 10.872 1.00 0.00 C ATOM 630 CD GLU A 22 76.865 6.985 10.816 1.00 0.00 C ATOM 631 OE1 GLU A 22 76.517 7.990 11.468 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.061 6.317 10.137 1.00 0.00 O ATOM 0 H GLU A 22 79.318 4.003 13.728 1.00 0.00 H new ATOM 0 HA GLU A 22 80.480 4.882 11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.034 4.659 11.822 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.175 6.007 12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.947 7.430 10.987 1.00 0.00 H new ATOM 0 HG3 GLU A 22 78.584 6.081 9.928 1.00 0.00 H new ATOM 639 N GLY A 23 81.013 6.708 13.920 1.00 0.00 N ATOM 640 CA GLY A 23 81.749 7.860 14.404 1.00 0.00 C ATOM 641 C GLY A 23 83.241 7.600 14.459 1.00 0.00 C ATOM 642 O GLY A 23 84.022 8.468 14.848 1.00 0.00 O ATOM 0 H GLY A 23 80.666 6.085 14.649 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.554 8.714 13.755 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.391 8.127 15.398 1.00 0.00 H new ATOM 646 N MET A 24 83.636 6.398 14.064 1.00 0.00 N ATOM 647 CA MET A 24 85.038 6.021 14.045 1.00 0.00 C ATOM 648 C MET A 24 85.536 5.999 12.607 1.00 0.00 C ATOM 649 O MET A 24 84.803 5.613 11.697 1.00 0.00 O ATOM 650 CB MET A 24 85.237 4.656 14.707 1.00 0.00 C ATOM 651 CG MET A 24 84.754 4.610 16.149 1.00 0.00 C ATOM 652 SD MET A 24 85.000 3.001 16.928 1.00 0.00 S ATOM 653 CE MET A 24 86.789 2.891 16.924 1.00 0.00 C ATOM 0 H MET A 24 82.999 5.665 13.751 1.00 0.00 H new ATOM 0 HA MET A 24 85.614 6.754 14.610 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.707 3.899 14.129 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.295 4.396 14.677 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.280 5.370 16.726 1.00 0.00 H new ATOM 0 HG3 MET A 24 83.694 4.863 16.179 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.100 2.000 17.469 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.148 2.831 15.896 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.209 3.775 17.404 1.00 0.00 H new ATOM 663 N CYS A 25 86.772 6.414 12.402 1.00 0.00 N ATOM 664 CA CYS A 25 87.297 6.573 11.056 1.00 0.00 C ATOM 665 C CYS A 25 88.050 5.321 10.622 1.00 0.00 C ATOM 666 O CYS A 25 88.593 4.593 11.455 1.00 0.00 O ATOM 667 CB CYS A 25 88.210 7.797 10.999 1.00 0.00 C ATOM 668 SG CYS A 25 88.517 8.431 9.334 1.00 0.00 S ATOM 0 H CYS A 25 87.430 6.647 13.146 1.00 0.00 H new ATOM 0 HA CYS A 25 86.465 6.721 10.368 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.768 8.592 11.600 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.165 7.543 11.459 1.00 0.00 H new ATOM 0 HG CYS A 25 88.469 7.451 8.481 1.00 0.00 H new ATOM 674 N LEU A 26 88.079 5.076 9.319 1.00 0.00 N ATOM 675 CA LEU A 26 88.747 3.903 8.774 1.00 0.00 C ATOM 676 C LEU A 26 90.256 4.107 8.752 1.00 0.00 C ATOM 677 O LEU A 26 90.772 4.963 8.031 1.00 0.00 O ATOM 678 CB LEU A 26 88.237 3.605 7.359 1.00 0.00 C ATOM 679 CG LEU A 26 88.852 2.371 6.691 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.482 1.108 7.455 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.402 2.268 5.242 1.00 0.00 C ATOM 0 H LEU A 26 87.646 5.677 8.618 1.00 0.00 H new ATOM 0 HA LEU A 26 88.519 3.052 9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.155 3.475 7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.431 4.474 6.730 1.00 0.00 H new ATOM 0 HG LEU A 26 89.937 2.477 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 26 88.928 0.243 6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 26 88.855 1.179 8.477 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.398 0.997 7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 26 88.849 1.386 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.316 2.186 5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.718 3.158 4.699 1.00 0.00 H new ATOM 693 N ARG A 27 90.956 3.321 9.551 1.00 0.00 N ATOM 694 CA ARG A 27 92.404 3.392 9.609 1.00 0.00 C ATOM 695 C ARG A 27 93.020 2.157 8.975 1.00 0.00 C ATOM 696 O ARG A 27 92.599 1.029 9.248 1.00 0.00 O ATOM 697 CB ARG A 27 92.883 3.526 11.058 1.00 0.00 C ATOM 698 CG ARG A 27 94.394 3.422 11.205 1.00 0.00 C ATOM 699 CD ARG A 27 94.854 3.687 12.631 1.00 0.00 C ATOM 700 NE ARG A 27 94.493 5.030 13.086 1.00 0.00 N ATOM 701 CZ ARG A 27 95.013 6.155 12.590 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.946 6.108 11.648 1.00 0.00 N ATOM 703 NH2 ARG A 27 94.602 7.326 13.043 1.00 0.00 N ATOM 0 H ARG A 27 90.543 2.624 10.170 1.00 0.00 H new ATOM 0 HA ARG A 27 92.722 4.274 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.552 4.485 11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.412 2.751 11.662 1.00 0.00 H new ATOM 0 HG2 ARG A 27 94.719 2.428 10.899 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.872 4.134 10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 27 94.410 2.948 13.298 1.00 0.00 H new ATOM 0 HD3 ARG A 27 95.935 3.563 12.692 1.00 0.00 H new ATOM 0 HE ARG A 27 93.800 5.112 13.830 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.271 5.207 11.297 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.338 6.973 11.275 1.00 0.00 H new ATOM 0 HH21 ARG A 27 93.888 7.369 13.771 1.00 0.00 H new ATOM 0 HH22 ARG A 27 94.998 8.187 12.665 1.00 0.00 H new ATOM 717 N LEU A 28 94.002 2.372 8.119 1.00 0.00 N ATOM 718 CA LEU A 28 94.742 1.270 7.533 1.00 0.00 C ATOM 719 C LEU A 28 95.985 0.997 8.374 1.00 0.00 C ATOM 720 O LEU A 28 96.741 1.915 8.693 1.00 0.00 O ATOM 721 CB LEU A 28 95.150 1.586 6.092 1.00 0.00 C ATOM 722 CG LEU A 28 94.022 2.039 5.158 1.00 0.00 C ATOM 723 CD1 LEU A 28 94.566 2.275 3.760 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.889 1.024 5.120 1.00 0.00 C ATOM 0 H LEU A 28 94.305 3.297 7.815 1.00 0.00 H new ATOM 0 HA LEU A 28 94.102 0.388 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.912 2.365 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.615 0.698 5.664 1.00 0.00 H new ATOM 0 HG LEU A 28 93.617 2.973 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.757 2.596 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 95.334 3.048 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.998 1.351 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 28 92.107 1.377 4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.270 0.067 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.478 0.900 6.122 1.00 0.00 H new ATOM 736 N ALA A 29 96.182 -0.254 8.746 1.00 0.00 N ATOM 737 CA ALA A 29 97.332 -0.638 9.544 1.00 0.00 C ATOM 738 C ALA A 29 98.329 -1.396 8.687 1.00 0.00 C ATOM 739 O ALA A 29 98.020 -2.460 8.147 1.00 0.00 O ATOM 740 CB ALA A 29 96.901 -1.477 10.737 1.00 0.00 C ATOM 0 H ALA A 29 95.558 -1.025 8.507 1.00 0.00 H new ATOM 0 HA ALA A 29 97.812 0.264 9.923 1.00 0.00 H new ATOM 0 HB1 ALA A 29 97.778 -1.755 11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 29 96.217 -0.900 11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 29 96.399 -2.378 10.386 1.00 0.00 H new ATOM 746 N ALA A 30 99.518 -0.836 8.551 1.00 0.00 N ATOM 747 CA ALA A 30 100.540 -1.424 7.712 1.00 0.00 C ATOM 748 C ALA A 30 101.671 -2.012 8.546 1.00 0.00 C ATOM 749 O ALA A 30 102.388 -1.290 9.241 1.00 0.00 O ATOM 750 CB ALA A 30 101.081 -0.390 6.737 1.00 0.00 C ATOM 0 H ALA A 30 99.798 0.029 9.014 1.00 0.00 H new ATOM 0 HA ALA A 30 100.085 -2.238 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.849 -0.846 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.270 -0.025 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.512 0.443 7.292 1.00 0.00 H new ATOM 756 N GLY A 31 101.801 -3.325 8.491 1.00 0.00 N ATOM 757 CA GLY A 31 102.912 -3.998 9.129 1.00 0.00 C ATOM 758 C GLY A 31 103.648 -4.855 8.128 1.00 0.00 C ATOM 759 O GLY A 31 103.231 -4.938 6.973 1.00 0.00 O ATOM 0 H GLY A 31 101.149 -3.945 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 31 103.593 -3.263 9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 31 102.549 -4.616 9.950 1.00 0.00 H new ATOM 763 N ARG A 32 104.735 -5.488 8.532 1.00 0.00 N ATOM 764 CA ARG A 32 105.464 -6.346 7.612 1.00 0.00 C ATOM 765 C ARG A 32 105.782 -7.693 8.234 1.00 0.00 C ATOM 766 O ARG A 32 105.980 -7.812 9.445 1.00 0.00 O ATOM 767 CB ARG A 32 106.752 -5.682 7.124 1.00 0.00 C ATOM 768 CG ARG A 32 106.513 -4.417 6.320 1.00 0.00 C ATOM 769 CD ARG A 32 107.696 -4.087 5.428 1.00 0.00 C ATOM 770 NE ARG A 32 108.941 -3.949 6.178 1.00 0.00 N ATOM 771 CZ ARG A 32 110.017 -3.321 5.713 1.00 0.00 C ATOM 772 NH1 ARG A 32 110.002 -2.785 4.497 1.00 0.00 N ATOM 773 NH2 ARG A 32 111.111 -3.252 6.458 1.00 0.00 N ATOM 0 H ARG A 32 105.127 -5.428 9.472 1.00 0.00 H new ATOM 0 HA ARG A 32 104.811 -6.508 6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 32 107.377 -5.444 7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.309 -6.392 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 32 105.619 -4.538 5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 32 106.325 -3.585 6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 32 107.812 -4.870 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 32 107.495 -3.160 4.891 1.00 0.00 H new ATOM 0 HE ARG A 32 108.988 -4.357 7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 32 109.164 -2.855 3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 32 110.828 -2.304 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 32 111.125 -3.680 7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 32 111.939 -2.771 6.105 1.00 0.00 H new ATOM 787 N ASN A 33 105.812 -8.702 7.385 1.00 0.00 N ATOM 788 CA ASN A 33 106.171 -10.052 7.781 1.00 0.00 C ATOM 789 C ASN A 33 107.646 -10.272 7.475 1.00 0.00 C ATOM 790 O ASN A 33 108.154 -9.737 6.488 1.00 0.00 O ATOM 791 CB ASN A 33 105.323 -11.076 7.010 1.00 0.00 C ATOM 792 CG ASN A 33 103.824 -10.849 7.150 1.00 0.00 C ATOM 793 OD1 ASN A 33 103.067 -11.062 6.203 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.378 -10.443 8.330 1.00 0.00 N ATOM 0 H ASN A 33 105.587 -8.609 6.395 1.00 0.00 H new ATOM 0 HA ASN A 33 105.985 -10.182 8.847 1.00 0.00 H new ATOM 0 HB2 ASN A 33 105.592 -11.037 5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.566 -12.078 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.379 -10.298 8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.034 -10.276 9.093 1.00 0.00 H new ATOM 801 N PRO A 34 108.355 -11.055 8.304 1.00 0.00 N ATOM 802 CA PRO A 34 109.795 -11.317 8.122 1.00 0.00 C ATOM 803 C PRO A 34 110.125 -11.920 6.752 1.00 0.00 C ATOM 804 O PRO A 34 111.273 -11.877 6.304 1.00 0.00 O ATOM 805 CB PRO A 34 110.121 -12.315 9.238 1.00 0.00 C ATOM 806 CG PRO A 34 109.061 -12.104 10.262 1.00 0.00 C ATOM 807 CD PRO A 34 107.822 -11.730 9.501 1.00 0.00 C ATOM 0 HA PRO A 34 110.377 -10.396 8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 34 110.113 -13.340 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 34 111.113 -12.134 9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 34 108.900 -13.008 10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 34 109.344 -11.316 10.960 1.00 0.00 H new ATOM 0 HD2 PRO A 34 107.230 -12.607 9.239 1.00 0.00 H new ATOM 0 HD3 PRO A 34 107.176 -11.071 10.081 1.00 0.00 H new ATOM 815 N ASP A 35 109.114 -12.471 6.091 1.00 0.00 N ATOM 816 CA ASP A 35 109.277 -13.060 4.763 1.00 0.00 C ATOM 817 C ASP A 35 109.409 -11.978 3.696 1.00 0.00 C ATOM 818 O ASP A 35 109.843 -12.244 2.577 1.00 0.00 O ATOM 819 CB ASP A 35 108.081 -13.952 4.423 1.00 0.00 C ATOM 820 CG ASP A 35 107.862 -15.049 5.439 1.00 0.00 C ATOM 821 OD1 ASP A 35 107.270 -14.768 6.500 1.00 0.00 O ATOM 822 OD2 ASP A 35 108.280 -16.198 5.186 1.00 0.00 O ATOM 0 H ASP A 35 108.163 -12.523 6.456 1.00 0.00 H new ATOM 0 HA ASP A 35 110.188 -13.658 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 35 107.183 -13.338 4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 35 108.234 -14.398 3.440 1.00 0.00 H new ATOM 827 N GLY A 36 109.029 -10.756 4.046 1.00 0.00 N ATOM 828 CA GLY A 36 109.040 -9.672 3.086 1.00 0.00 C ATOM 829 C GLY A 36 107.641 -9.301 2.641 1.00 0.00 C ATOM 830 O GLY A 36 107.454 -8.402 1.822 1.00 0.00 O ATOM 0 H GLY A 36 108.713 -10.497 4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 36 109.524 -8.801 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 36 109.633 -9.961 2.218 1.00 0.00 H new ATOM 834 N SER A 37 106.658 -10.007 3.183 1.00 0.00 N ATOM 835 CA SER A 37 105.263 -9.743 2.872 1.00 0.00 C ATOM 836 C SER A 37 104.749 -8.585 3.722 1.00 0.00 C ATOM 837 O SER A 37 105.265 -8.326 4.809 1.00 0.00 O ATOM 838 CB SER A 37 104.427 -11.004 3.120 1.00 0.00 C ATOM 839 OG SER A 37 103.060 -10.792 2.808 1.00 0.00 O ATOM 0 H SER A 37 106.804 -10.770 3.843 1.00 0.00 H new ATOM 0 HA SER A 37 105.176 -9.467 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 37 104.816 -11.824 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 37 104.521 -11.304 4.164 1.00 0.00 H new ATOM 0 HG SER A 37 102.555 -11.615 2.975 1.00 0.00 H new ATOM 845 N ILE A 38 103.744 -7.884 3.223 1.00 0.00 N ATOM 846 CA ILE A 38 103.154 -6.775 3.953 1.00 0.00 C ATOM 847 C ILE A 38 101.874 -7.235 4.636 1.00 0.00 C ATOM 848 O ILE A 38 101.005 -7.833 4.003 1.00 0.00 O ATOM 849 CB ILE A 38 102.846 -5.582 3.023 1.00 0.00 C ATOM 850 CG1 ILE A 38 104.100 -5.183 2.240 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.325 -4.399 3.830 1.00 0.00 C ATOM 852 CD1 ILE A 38 103.849 -4.116 1.199 1.00 0.00 C ATOM 0 H ILE A 38 103.319 -8.064 2.313 1.00 0.00 H new ATOM 0 HA ILE A 38 103.875 -6.442 4.699 1.00 0.00 H new ATOM 0 HB ILE A 38 102.074 -5.883 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 38 104.856 -4.826 2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 38 104.509 -6.067 1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 38 102.113 -3.566 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.412 -4.688 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.077 -4.096 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 38 104.781 -3.884 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 38 103.116 -4.477 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 38 103.469 -3.217 1.684 1.00 0.00 H new ATOM 864 N ASP A 39 101.767 -6.961 5.925 1.00 0.00 N ATOM 865 CA ASP A 39 100.608 -7.378 6.696 1.00 0.00 C ATOM 866 C ASP A 39 99.554 -6.279 6.661 1.00 0.00 C ATOM 867 O ASP A 39 99.620 -5.313 7.421 1.00 0.00 O ATOM 868 CB ASP A 39 101.012 -7.687 8.142 1.00 0.00 C ATOM 869 CG ASP A 39 100.017 -8.584 8.853 1.00 0.00 C ATOM 870 OD1 ASP A 39 100.171 -9.823 8.770 1.00 0.00 O ATOM 871 OD2 ASP A 39 99.095 -8.064 9.515 1.00 0.00 O ATOM 0 H ASP A 39 102.470 -6.451 6.460 1.00 0.00 H new ATOM 0 HA ASP A 39 100.193 -8.286 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.992 -8.164 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 39 101.110 -6.752 8.694 1.00 0.00 H new ATOM 876 N TYR A 40 98.620 -6.412 5.730 1.00 0.00 N ATOM 877 CA TYR A 40 97.572 -5.419 5.546 1.00 0.00 C ATOM 878 C TYR A 40 96.411 -5.666 6.499 1.00 0.00 C ATOM 879 O TYR A 40 95.742 -6.699 6.422 1.00 0.00 O ATOM 880 CB TYR A 40 97.058 -5.441 4.103 1.00 0.00 C ATOM 881 CG TYR A 40 98.030 -4.895 3.078 1.00 0.00 C ATOM 882 CD1 TYR A 40 98.123 -3.531 2.846 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.845 -5.743 2.334 1.00 0.00 C ATOM 884 CE1 TYR A 40 99.000 -3.022 1.907 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.724 -5.240 1.391 1.00 0.00 C ATOM 886 CZ TYR A 40 99.798 -3.878 1.184 1.00 0.00 C ATOM 887 OH TYR A 40 100.675 -3.367 0.251 1.00 0.00 O ATOM 0 H TYR A 40 98.567 -7.202 5.087 1.00 0.00 H new ATOM 0 HA TYR A 40 98.003 -4.441 5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.808 -6.468 3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.134 -4.864 4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 40 97.498 -2.854 3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 40 98.791 -6.810 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 40 99.059 -1.956 1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 40 100.349 -5.910 0.820 1.00 0.00 H new ATOM 0 HH TYR A 40 101.011 -2.500 0.559 1.00 0.00 H new ATOM 897 N ARG A 41 96.174 -4.721 7.396 1.00 0.00 N ATOM 898 CA ARG A 41 95.035 -4.801 8.299 1.00 0.00 C ATOM 899 C ARG A 41 94.223 -3.515 8.230 1.00 0.00 C ATOM 900 O ARG A 41 94.772 -2.435 8.020 1.00 0.00 O ATOM 901 CB ARG A 41 95.492 -5.074 9.735 1.00 0.00 C ATOM 902 CG ARG A 41 96.305 -6.350 9.866 1.00 0.00 C ATOM 903 CD ARG A 41 96.416 -6.818 11.307 1.00 0.00 C ATOM 904 NE ARG A 41 97.084 -5.845 12.174 1.00 0.00 N ATOM 905 CZ ARG A 41 98.341 -5.978 12.600 1.00 0.00 C ATOM 906 NH1 ARG A 41 99.133 -6.905 12.063 1.00 0.00 N ATOM 907 NH2 ARG A 41 98.821 -5.152 13.525 1.00 0.00 N ATOM 0 H ARG A 41 96.754 -3.891 7.518 1.00 0.00 H new ATOM 0 HA ARG A 41 94.404 -5.633 7.985 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.088 -4.232 10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 41 94.618 -5.139 10.383 1.00 0.00 H new ATOM 0 HG2 ARG A 41 95.844 -7.135 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 41 97.304 -6.185 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 41 95.418 -7.018 11.696 1.00 0.00 H new ATOM 0 HD3 ARG A 41 96.964 -7.760 11.336 1.00 0.00 H new ATOM 0 HE ARG A 41 96.560 -5.021 12.468 1.00 0.00 H new ATOM 0 HH11 ARG A 41 98.778 -7.514 11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 41 100.094 -7.006 12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 41 98.228 -4.416 13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 41 99.782 -5.254 13.850 1.00 0.00 H new ATOM 921 N MET A 42 92.914 -3.635 8.384 1.00 0.00 N ATOM 922 CA MET A 42 92.026 -2.485 8.288 1.00 0.00 C ATOM 923 C MET A 42 91.014 -2.511 9.422 1.00 0.00 C ATOM 924 O MET A 42 90.677 -3.580 9.931 1.00 0.00 O ATOM 925 CB MET A 42 91.284 -2.484 6.946 1.00 0.00 C ATOM 926 CG MET A 42 92.199 -2.464 5.732 1.00 0.00 C ATOM 927 SD MET A 42 91.289 -2.472 4.176 1.00 0.00 S ATOM 928 CE MET A 42 90.366 -4.000 4.324 1.00 0.00 C ATOM 0 H MET A 42 92.441 -4.518 8.576 1.00 0.00 H new ATOM 0 HA MET A 42 92.631 -1.581 8.359 1.00 0.00 H new ATOM 0 HB2 MET A 42 90.648 -3.368 6.894 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.627 -1.615 6.907 1.00 0.00 H new ATOM 0 HG2 MET A 42 92.832 -1.578 5.774 1.00 0.00 H new ATOM 0 HG3 MET A 42 92.860 -3.330 5.766 1.00 0.00 H new ATOM 0 HE1 MET A 42 90.304 -4.483 3.349 1.00 0.00 H new ATOM 0 HE2 MET A 42 90.871 -4.663 5.026 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.361 -3.784 4.687 1.00 0.00 H new ATOM 938 N GLY A 43 90.545 -1.341 9.824 1.00 0.00 N ATOM 939 CA GLY A 43 89.533 -1.270 10.854 1.00 0.00 C ATOM 940 C GLY A 43 89.187 0.156 11.217 1.00 0.00 C ATOM 941 O GLY A 43 89.823 1.095 10.740 1.00 0.00 O ATOM 0 H GLY A 43 90.847 -0.439 9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 43 88.634 -1.785 10.514 1.00 0.00 H new ATOM 0 HA3 GLY A 43 89.884 -1.794 11.743 1.00 0.00 H new ATOM 945 N PHE A 44 88.172 0.319 12.048 1.00 0.00 N ATOM 946 CA PHE A 44 87.779 1.635 12.524 1.00 0.00 C ATOM 947 C PHE A 44 88.588 1.985 13.760 1.00 0.00 C ATOM 948 O PHE A 44 88.604 1.230 14.733 1.00 0.00 O ATOM 949 CB PHE A 44 86.282 1.667 12.840 1.00 0.00 C ATOM 950 CG PHE A 44 85.418 1.359 11.651 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.077 2.355 10.751 1.00 0.00 C ATOM 952 CD2 PHE A 44 84.953 0.073 11.430 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.286 2.074 9.654 1.00 0.00 C ATOM 954 CE2 PHE A 44 84.163 -0.215 10.335 1.00 0.00 C ATOM 955 CZ PHE A 44 83.829 0.787 9.446 1.00 0.00 C ATOM 0 H PHE A 44 87.603 -0.447 12.409 1.00 0.00 H new ATOM 0 HA PHE A 44 87.976 2.371 11.744 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.069 0.948 13.631 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.020 2.652 13.226 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.433 3.362 10.909 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.212 -0.714 12.123 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.025 2.859 8.960 1.00 0.00 H new ATOM 0 HE2 PHE A 44 83.807 -1.222 10.174 1.00 0.00 H new ATOM 0 HZ PHE A 44 83.211 0.565 8.589 1.00 0.00 H new ATOM 965 N ASP A 45 89.262 3.120 13.717 1.00 0.00 N ATOM 966 CA ASP A 45 90.165 3.510 14.789 1.00 0.00 C ATOM 967 C ASP A 45 89.988 4.997 15.106 1.00 0.00 C ATOM 968 O ASP A 45 88.990 5.608 14.709 1.00 0.00 O ATOM 969 CB ASP A 45 91.608 3.199 14.370 1.00 0.00 C ATOM 970 CG ASP A 45 92.575 3.119 15.537 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.743 2.023 16.110 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.190 4.148 15.879 1.00 0.00 O ATOM 0 H ASP A 45 89.202 3.790 12.950 1.00 0.00 H new ATOM 0 HA ASP A 45 89.935 2.946 15.693 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.625 2.253 13.829 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.950 3.968 13.677 1.00 0.00 H new ATOM 977 N ASP A 46 90.942 5.572 15.820 1.00 0.00 N ATOM 978 CA ASP A 46 90.866 6.965 16.230 1.00 0.00 C ATOM 979 C ASP A 46 91.575 7.855 15.210 1.00 0.00 C ATOM 980 O ASP A 46 92.240 7.356 14.303 1.00 0.00 O ATOM 981 CB ASP A 46 91.481 7.136 17.624 1.00 0.00 C ATOM 982 CG ASP A 46 91.278 8.526 18.189 1.00 0.00 C ATOM 983 OD1 ASP A 46 90.186 9.097 17.983 1.00 0.00 O ATOM 984 OD2 ASP A 46 92.202 9.049 18.846 1.00 0.00 O ATOM 0 H ASP A 46 91.786 5.090 16.130 1.00 0.00 H new ATOM 0 HA ASP A 46 89.819 7.266 16.276 1.00 0.00 H new ATOM 0 HB2 ASP A 46 91.041 6.405 18.302 1.00 0.00 H new ATOM 0 HB3 ASP A 46 92.549 6.922 17.574 1.00 0.00 H new ATOM 989 N LEU A 47 91.423 9.163 15.352 1.00 0.00 N ATOM 990 CA LEU A 47 92.015 10.114 14.420 1.00 0.00 C ATOM 991 C LEU A 47 93.175 10.863 15.056 1.00 0.00 C ATOM 992 O LEU A 47 93.075 11.338 16.189 1.00 0.00 O ATOM 993 CB LEU A 47 90.963 11.122 13.953 1.00 0.00 C ATOM 994 CG LEU A 47 89.934 10.584 12.963 1.00 0.00 C ATOM 995 CD1 LEU A 47 88.853 11.621 12.701 1.00 0.00 C ATOM 996 CD2 LEU A 47 90.620 10.195 11.667 1.00 0.00 C ATOM 0 H LEU A 47 90.891 9.593 16.109 1.00 0.00 H new ATOM 0 HA LEU A 47 92.390 9.549 13.567 1.00 0.00 H new ATOM 0 HB2 LEU A 47 90.436 11.503 14.828 1.00 0.00 H new ATOM 0 HB3 LEU A 47 91.474 11.969 13.495 1.00 0.00 H new ATOM 0 HG LEU A 47 89.462 9.700 13.392 1.00 0.00 H new ATOM 0 HD11 LEU A 47 88.128 11.220 11.993 1.00 0.00 H new ATOM 0 HD12 LEU A 47 88.349 11.866 13.636 1.00 0.00 H new ATOM 0 HD13 LEU A 47 89.306 12.522 12.286 1.00 0.00 H new ATOM 0 HD21 LEU A 47 89.880 9.812 10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 47 91.109 11.069 11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 47 91.364 9.424 11.866 1.00 0.00 H new ATOM 1008 N THR A 48 94.277 10.967 14.332 1.00 0.00 N ATOM 1009 CA THR A 48 95.376 11.811 14.760 1.00 0.00 C ATOM 1010 C THR A 48 95.389 13.073 13.907 1.00 0.00 C ATOM 1011 O THR A 48 94.429 13.351 13.183 1.00 0.00 O ATOM 1012 CB THR A 48 96.743 11.099 14.644 1.00 0.00 C ATOM 1013 OG1 THR A 48 97.098 10.921 13.267 1.00 0.00 O ATOM 1014 CG2 THR A 48 96.717 9.747 15.345 1.00 0.00 C ATOM 0 H THR A 48 94.433 10.479 13.450 1.00 0.00 H new ATOM 0 HA THR A 48 95.223 12.053 15.812 1.00 0.00 H new ATOM 0 HB THR A 48 97.489 11.728 15.130 1.00 0.00 H new ATOM 0 HG1 THR A 48 96.299 10.682 12.752 1.00 0.00 H new ATOM 0 HG21 THR A 48 97.691 9.268 15.248 1.00 0.00 H new ATOM 0 HG22 THR A 48 96.486 9.889 16.401 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.955 9.115 14.889 1.00 0.00 H new ATOM 1022 N GLU A 49 96.458 13.837 13.991 1.00 0.00 N ATOM 1023 CA GLU A 49 96.611 15.005 13.149 1.00 0.00 C ATOM 1024 C GLU A 49 97.760 14.791 12.171 1.00 0.00 C ATOM 1025 O GLU A 49 98.136 15.690 11.415 1.00 0.00 O ATOM 1026 CB GLU A 49 96.821 16.243 14.013 1.00 0.00 C ATOM 1027 CG GLU A 49 95.605 16.560 14.871 1.00 0.00 C ATOM 1028 CD GLU A 49 95.820 17.730 15.802 1.00 0.00 C ATOM 1029 OE1 GLU A 49 95.896 18.876 15.312 1.00 0.00 O ATOM 1030 OE2 GLU A 49 95.897 17.509 17.030 1.00 0.00 O ATOM 0 H GLU A 49 97.233 13.671 14.633 1.00 0.00 H new ATOM 0 HA GLU A 49 95.704 15.161 12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 49 97.688 16.092 14.656 1.00 0.00 H new ATOM 0 HB3 GLU A 49 97.044 17.097 13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 49 94.756 16.773 14.221 1.00 0.00 H new ATOM 0 HG3 GLU A 49 95.344 15.680 15.459 1.00 0.00 H new ATOM 1037 N ASP A 50 98.292 13.574 12.185 1.00 0.00 N ATOM 1038 CA ASP A 50 99.340 13.171 11.254 1.00 0.00 C ATOM 1039 C ASP A 50 98.728 12.535 10.020 1.00 0.00 C ATOM 1040 O ASP A 50 99.238 12.691 8.908 1.00 0.00 O ATOM 1041 CB ASP A 50 100.292 12.161 11.903 1.00 0.00 C ATOM 1042 CG ASP A 50 101.238 12.783 12.904 1.00 0.00 C ATOM 1043 OD1 ASP A 50 100.818 13.043 14.052 1.00 0.00 O ATOM 1044 OD2 ASP A 50 102.418 12.995 12.555 1.00 0.00 O ATOM 0 H ASP A 50 98.011 12.842 12.838 1.00 0.00 H new ATOM 0 HA ASP A 50 99.898 14.065 10.977 1.00 0.00 H new ATOM 0 HB2 ASP A 50 99.706 11.388 12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 50 100.873 11.668 11.123 1.00 0.00 H new ATOM 1049 N ASP A 51 97.627 11.822 10.236 1.00 0.00 N ATOM 1050 CA ASP A 51 96.969 11.046 9.187 1.00 0.00 C ATOM 1051 C ASP A 51 96.645 11.887 7.960 1.00 0.00 C ATOM 1052 O ASP A 51 96.142 13.009 8.071 1.00 0.00 O ATOM 1053 CB ASP A 51 95.670 10.420 9.707 1.00 0.00 C ATOM 1054 CG ASP A 51 95.893 9.388 10.791 1.00 0.00 C ATOM 1055 OD1 ASP A 51 96.566 8.374 10.525 1.00 0.00 O ATOM 1056 OD2 ASP A 51 95.391 9.588 11.922 1.00 0.00 O ATOM 0 H ASP A 51 97.165 11.765 11.143 1.00 0.00 H new ATOM 0 HA ASP A 51 97.673 10.266 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.024 11.209 10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.141 9.954 8.875 1.00 0.00 H new ATOM 1061 N ILE A 52 96.949 11.335 6.796 1.00 0.00 N ATOM 1062 CA ILE A 52 96.523 11.917 5.537 1.00 0.00 C ATOM 1063 C ILE A 52 95.074 11.518 5.287 1.00 0.00 C ATOM 1064 O ILE A 52 94.758 10.333 5.162 1.00 0.00 O ATOM 1065 CB ILE A 52 97.408 11.447 4.362 1.00 0.00 C ATOM 1066 CG1 ILE A 52 98.876 11.797 4.634 1.00 0.00 C ATOM 1067 CG2 ILE A 52 96.941 12.079 3.057 1.00 0.00 C ATOM 1068 CD1 ILE A 52 99.830 11.316 3.561 1.00 0.00 C ATOM 0 H ILE A 52 97.494 10.478 6.699 1.00 0.00 H new ATOM 0 HA ILE A 52 96.618 13.001 5.601 1.00 0.00 H new ATOM 0 HB ILE A 52 97.319 10.365 4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 52 98.969 12.879 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.172 11.364 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.576 11.737 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 52 95.909 11.789 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.004 13.164 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 52 100.848 11.601 3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 52 99.767 10.231 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.562 11.769 2.606 1.00 0.00 H new ATOM 1080 N ARG A 53 94.202 12.507 5.241 1.00 0.00 N ATOM 1081 CA ARG A 53 92.771 12.261 5.198 1.00 0.00 C ATOM 1082 C ARG A 53 92.286 12.016 3.771 1.00 0.00 C ATOM 1083 O ARG A 53 92.202 12.936 2.961 1.00 0.00 O ATOM 1084 CB ARG A 53 92.045 13.454 5.815 1.00 0.00 C ATOM 1085 CG ARG A 53 90.613 13.162 6.210 1.00 0.00 C ATOM 1086 CD ARG A 53 90.041 14.298 7.039 1.00 0.00 C ATOM 1087 NE ARG A 53 88.764 13.938 7.635 1.00 0.00 N ATOM 1088 CZ ARG A 53 88.442 14.172 8.903 1.00 0.00 C ATOM 1089 NH1 ARG A 53 89.300 14.788 9.710 1.00 0.00 N ATOM 1090 NH2 ARG A 53 87.271 13.772 9.367 1.00 0.00 N ATOM 0 H ARG A 53 94.460 13.494 5.232 1.00 0.00 H new ATOM 0 HA ARG A 53 92.552 11.359 5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.594 13.785 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 53 92.054 14.280 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 53 90.007 13.017 5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 53 90.570 12.233 6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 53 90.747 14.566 7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 53 89.914 15.179 6.410 1.00 0.00 H new ATOM 0 HE ARG A 53 88.073 13.477 7.043 1.00 0.00 H new ATOM 0 HH11 ARG A 53 90.210 15.083 9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 53 89.048 14.965 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 53 86.618 13.286 8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.020 13.950 10.340 1.00 0.00 H new ATOM 1104 N LEU A 54 91.990 10.760 3.473 1.00 0.00 N ATOM 1105 CA LEU A 54 91.463 10.386 2.168 1.00 0.00 C ATOM 1106 C LEU A 54 89.961 10.129 2.263 1.00 0.00 C ATOM 1107 O LEU A 54 89.529 9.064 2.702 1.00 0.00 O ATOM 1108 CB LEU A 54 92.185 9.133 1.666 1.00 0.00 C ATOM 1109 CG LEU A 54 91.747 8.613 0.298 1.00 0.00 C ATOM 1110 CD1 LEU A 54 92.252 9.524 -0.809 1.00 0.00 C ATOM 1111 CD2 LEU A 54 92.243 7.192 0.096 1.00 0.00 C ATOM 0 H LEU A 54 92.106 9.979 4.119 1.00 0.00 H new ATOM 0 HA LEU A 54 91.631 11.201 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 54 93.254 9.344 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.043 8.338 2.398 1.00 0.00 H new ATOM 0 HG LEU A 54 90.658 8.608 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 54 91.929 9.136 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 54 91.849 10.527 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.341 9.564 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.925 6.831 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.331 7.175 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 54 91.829 6.548 0.872 1.00 0.00 H new ATOM 1123 N THR A 55 89.167 11.102 1.858 1.00 0.00 N ATOM 1124 CA THR A 55 87.720 10.974 1.914 1.00 0.00 C ATOM 1125 C THR A 55 87.191 10.346 0.626 1.00 0.00 C ATOM 1126 O THR A 55 87.317 10.925 -0.452 1.00 0.00 O ATOM 1127 CB THR A 55 87.054 12.349 2.135 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.740 13.061 3.179 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.586 12.191 2.504 1.00 0.00 C ATOM 0 H THR A 55 89.499 11.992 1.486 1.00 0.00 H new ATOM 0 HA THR A 55 87.472 10.327 2.756 1.00 0.00 H new ATOM 0 HB THR A 55 87.117 12.912 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.438 12.733 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.141 13.174 2.654 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.062 11.674 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.502 11.611 3.423 1.00 0.00 H new ATOM 1137 N SER A 56 86.624 9.151 0.737 1.00 0.00 N ATOM 1138 CA SER A 56 86.094 8.450 -0.423 1.00 0.00 C ATOM 1139 C SER A 56 84.630 8.085 -0.197 1.00 0.00 C ATOM 1140 O SER A 56 84.323 7.237 0.646 1.00 0.00 O ATOM 1141 CB SER A 56 86.925 7.193 -0.694 1.00 0.00 C ATOM 1142 OG SER A 56 88.308 7.507 -0.774 1.00 0.00 O ATOM 0 H SER A 56 86.520 8.648 1.618 1.00 0.00 H new ATOM 0 HA SER A 56 86.154 9.105 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A 56 86.759 6.464 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 56 86.599 6.730 -1.625 1.00 0.00 H new ATOM 0 HG SER A 56 88.820 6.689 -0.946 1.00 0.00 H new ATOM 1148 N GLU A 57 83.736 8.757 -0.935 1.00 0.00 N ATOM 1149 CA GLU A 57 82.280 8.562 -0.826 1.00 0.00 C ATOM 1150 C GLU A 57 81.726 9.092 0.497 1.00 0.00 C ATOM 1151 O GLU A 57 80.741 9.834 0.525 1.00 0.00 O ATOM 1152 CB GLU A 57 81.902 7.084 -0.997 1.00 0.00 C ATOM 1153 CG GLU A 57 82.151 6.548 -2.396 1.00 0.00 C ATOM 1154 CD GLU A 57 81.368 7.305 -3.447 1.00 0.00 C ATOM 1155 OE1 GLU A 57 80.158 7.042 -3.598 1.00 0.00 O ATOM 1156 OE2 GLU A 57 81.954 8.175 -4.123 1.00 0.00 O ATOM 0 H GLU A 57 84.002 9.456 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 57 81.828 9.137 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 57 82.470 6.488 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 57 80.848 6.957 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 57 83.215 6.611 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 57 81.879 5.493 -2.433 1.00 0.00 H new ATOM 1163 N GLY A 58 82.372 8.714 1.580 1.00 0.00 N ATOM 1164 CA GLY A 58 81.927 9.076 2.906 1.00 0.00 C ATOM 1165 C GLY A 58 82.773 8.400 3.957 1.00 0.00 C ATOM 1166 O GLY A 58 82.910 8.892 5.074 1.00 0.00 O ATOM 0 H GLY A 58 83.220 8.147 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.980 10.158 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.883 8.791 3.035 1.00 0.00 H new ATOM 1170 N VAL A 59 83.346 7.263 3.585 1.00 0.00 N ATOM 1171 CA VAL A 59 84.266 6.553 4.450 1.00 0.00 C ATOM 1172 C VAL A 59 85.649 7.170 4.311 1.00 0.00 C ATOM 1173 O VAL A 59 86.266 7.102 3.246 1.00 0.00 O ATOM 1174 CB VAL A 59 84.337 5.051 4.098 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.227 4.307 5.085 1.00 0.00 C ATOM 1176 CG2 VAL A 59 82.944 4.438 4.064 1.00 0.00 C ATOM 0 H VAL A 59 83.186 6.814 2.683 1.00 0.00 H new ATOM 0 HA VAL A 59 83.907 6.639 5.476 1.00 0.00 H new ATOM 0 HB VAL A 59 84.775 4.956 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.263 3.251 4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.234 4.724 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.822 4.413 6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 59 83.018 3.380 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 59 82.474 4.548 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 59 82.341 4.947 3.312 1.00 0.00 H new ATOM 1186 N GLU A 60 86.116 7.806 5.368 1.00 0.00 N ATOM 1187 CA GLU A 60 87.399 8.477 5.324 1.00 0.00 C ATOM 1188 C GLU A 60 88.518 7.522 5.689 1.00 0.00 C ATOM 1189 O GLU A 60 88.510 6.904 6.756 1.00 0.00 O ATOM 1190 CB GLU A 60 87.401 9.694 6.240 1.00 0.00 C ATOM 1191 CG GLU A 60 86.224 10.611 5.985 1.00 0.00 C ATOM 1192 CD GLU A 60 86.445 12.012 6.496 1.00 0.00 C ATOM 1193 OE1 GLU A 60 87.135 12.791 5.810 1.00 0.00 O ATOM 1194 OE2 GLU A 60 85.925 12.348 7.580 1.00 0.00 O ATOM 0 H GLU A 60 85.629 7.872 6.262 1.00 0.00 H new ATOM 0 HA GLU A 60 87.570 8.821 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 60 87.382 9.364 7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 60 88.328 10.250 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 60 86.025 10.648 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 60 85.336 10.193 6.459 1.00 0.00 H new ATOM 1201 N ILE A 61 89.463 7.400 4.781 1.00 0.00 N ATOM 1202 CA ILE A 61 90.594 6.519 4.952 1.00 0.00 C ATOM 1203 C ILE A 61 91.799 7.335 5.396 1.00 0.00 C ATOM 1204 O ILE A 61 92.371 8.089 4.612 1.00 0.00 O ATOM 1205 CB ILE A 61 90.922 5.783 3.637 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.651 5.172 3.039 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.961 4.704 3.882 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.858 4.545 1.677 1.00 0.00 C ATOM 0 H ILE A 61 89.466 7.913 3.899 1.00 0.00 H new ATOM 0 HA ILE A 61 90.348 5.774 5.708 1.00 0.00 H new ATOM 0 HB ILE A 61 91.329 6.503 2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.266 4.415 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.889 5.947 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.183 4.193 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.872 5.158 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.576 3.985 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 61 88.914 4.134 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.213 5.302 0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 61 90.596 3.747 1.752 1.00 0.00 H new ATOM 1220 N VAL A 62 92.156 7.213 6.658 1.00 0.00 N ATOM 1221 CA VAL A 62 93.230 8.015 7.218 1.00 0.00 C ATOM 1222 C VAL A 62 94.489 7.189 7.440 1.00 0.00 C ATOM 1223 O VAL A 62 94.462 6.151 8.107 1.00 0.00 O ATOM 1224 CB VAL A 62 92.797 8.692 8.534 1.00 0.00 C ATOM 1225 CG1 VAL A 62 92.048 9.983 8.239 1.00 0.00 C ATOM 1226 CG2 VAL A 62 91.922 7.760 9.360 1.00 0.00 C ATOM 0 H VAL A 62 91.720 6.568 7.317 1.00 0.00 H new ATOM 0 HA VAL A 62 93.459 8.793 6.490 1.00 0.00 H new ATOM 0 HB VAL A 62 93.693 8.923 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.748 10.452 9.176 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.697 10.662 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.162 9.762 7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 62 91.629 8.259 10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.030 7.498 8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.479 6.854 9.598 1.00 0.00 H new ATOM 1236 N ILE A 63 95.586 7.643 6.847 1.00 0.00 N ATOM 1237 CA ILE A 63 96.863 6.961 6.973 1.00 0.00 C ATOM 1238 C ILE A 63 97.954 7.942 7.381 1.00 0.00 C ATOM 1239 O ILE A 63 98.204 8.925 6.683 1.00 0.00 O ATOM 1240 CB ILE A 63 97.313 6.284 5.655 1.00 0.00 C ATOM 1241 CG1 ILE A 63 96.221 5.380 5.076 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.584 5.484 5.886 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.259 6.099 4.155 1.00 0.00 C ATOM 0 H ILE A 63 95.614 8.485 6.272 1.00 0.00 H new ATOM 0 HA ILE A 63 96.717 6.194 7.733 1.00 0.00 H new ATOM 0 HB ILE A 63 97.507 7.073 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 63 96.691 4.563 4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 63 95.659 4.933 5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.892 5.012 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.374 6.149 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.399 4.716 6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.515 5.394 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 63 94.760 6.899 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 63 95.808 6.522 3.314 1.00 0.00 H new ATOM 1255 N ALA A 64 98.588 7.681 8.512 1.00 0.00 N ATOM 1256 CA ALA A 64 99.744 8.457 8.928 1.00 0.00 C ATOM 1257 C ALA A 64 100.894 8.243 7.944 1.00 0.00 C ATOM 1258 O ALA A 64 101.074 7.136 7.428 1.00 0.00 O ATOM 1259 CB ALA A 64 100.165 8.065 10.338 1.00 0.00 C ATOM 0 H ALA A 64 98.322 6.938 9.158 1.00 0.00 H new ATOM 0 HA ALA A 64 99.479 9.514 8.933 1.00 0.00 H new ATOM 0 HB1 ALA A 64 101.032 8.655 10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.343 8.254 11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.422 7.006 10.360 1.00 0.00 H new ATOM 1265 N PRO A 65 101.691 9.294 7.674 1.00 0.00 N ATOM 1266 CA PRO A 65 102.793 9.239 6.696 1.00 0.00 C ATOM 1267 C PRO A 65 103.799 8.130 7.002 1.00 0.00 C ATOM 1268 O PRO A 65 104.546 7.690 6.127 1.00 0.00 O ATOM 1269 CB PRO A 65 103.454 10.614 6.821 1.00 0.00 C ATOM 1270 CG PRO A 65 102.397 11.497 7.387 1.00 0.00 C ATOM 1271 CD PRO A 65 101.581 10.625 8.295 1.00 0.00 C ATOM 0 HA PRO A 65 102.429 9.016 5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.327 10.575 7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.796 10.978 5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.836 12.331 7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 65 101.780 11.925 6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.971 10.628 9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.545 10.959 8.350 1.00 0.00 H new ATOM 1279 N ASP A 66 103.798 7.675 8.247 1.00 0.00 N ATOM 1280 CA ASP A 66 104.670 6.590 8.683 1.00 0.00 C ATOM 1281 C ASP A 66 104.256 5.258 8.049 1.00 0.00 C ATOM 1282 O ASP A 66 105.092 4.385 7.816 1.00 0.00 O ATOM 1283 CB ASP A 66 104.635 6.490 10.210 1.00 0.00 C ATOM 1284 CG ASP A 66 105.526 5.393 10.758 1.00 0.00 C ATOM 1285 OD1 ASP A 66 106.763 5.536 10.690 1.00 0.00 O ATOM 1286 OD2 ASP A 66 104.993 4.400 11.291 1.00 0.00 O ATOM 0 H ASP A 66 103.195 8.045 8.982 1.00 0.00 H new ATOM 0 HA ASP A 66 105.687 6.808 8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 66 104.941 7.445 10.637 1.00 0.00 H new ATOM 0 HB3 ASP A 66 103.609 6.311 10.532 1.00 0.00 H new ATOM 1291 N TYR A 67 102.966 5.121 7.748 1.00 0.00 N ATOM 1292 CA TYR A 67 102.432 3.881 7.183 1.00 0.00 C ATOM 1293 C TYR A 67 102.245 3.994 5.670 1.00 0.00 C ATOM 1294 O TYR A 67 102.174 2.982 4.969 1.00 0.00 O ATOM 1295 CB TYR A 67 101.088 3.532 7.828 1.00 0.00 C ATOM 1296 CG TYR A 67 101.154 3.267 9.316 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.398 1.989 9.800 1.00 0.00 C ATOM 1298 CD2 TYR A 67 100.959 4.291 10.235 1.00 0.00 C ATOM 1299 CE1 TYR A 67 101.450 1.738 11.156 1.00 0.00 C ATOM 1300 CE2 TYR A 67 101.009 4.048 11.594 1.00 0.00 C ATOM 1301 CZ TYR A 67 101.254 2.769 12.049 1.00 0.00 C ATOM 1302 OH TYR A 67 101.298 2.520 13.402 1.00 0.00 O ATOM 0 H TYR A 67 102.270 5.854 7.886 1.00 0.00 H new ATOM 0 HA TYR A 67 103.155 3.092 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.390 4.350 7.648 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.680 2.651 7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 67 101.550 1.178 9.104 1.00 0.00 H new ATOM 0 HD2 TYR A 67 100.765 5.293 9.881 1.00 0.00 H new ATOM 0 HE1 TYR A 67 101.643 0.738 11.516 1.00 0.00 H new ATOM 0 HE2 TYR A 67 100.857 4.855 12.296 1.00 0.00 H new ATOM 0 HH TYR A 67 101.141 3.353 13.893 1.00 0.00 H new ATOM 1312 N VAL A 68 102.164 5.232 5.182 1.00 0.00 N ATOM 1313 CA VAL A 68 101.912 5.513 3.762 1.00 0.00 C ATOM 1314 C VAL A 68 102.849 4.735 2.833 1.00 0.00 C ATOM 1315 O VAL A 68 102.434 4.275 1.768 1.00 0.00 O ATOM 1316 CB VAL A 68 102.047 7.027 3.470 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.972 7.315 1.976 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.976 7.808 4.210 1.00 0.00 C ATOM 0 H VAL A 68 102.270 6.069 5.755 1.00 0.00 H new ATOM 0 HA VAL A 68 100.892 5.186 3.561 1.00 0.00 H new ATOM 0 HB VAL A 68 103.027 7.347 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 68 102.070 8.387 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.779 6.791 1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 68 101.013 6.973 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 68 101.086 8.871 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.991 7.471 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 68 101.081 7.643 5.282 1.00 0.00 H new ATOM 1328 N SER A 69 104.094 4.565 3.262 1.00 0.00 N ATOM 1329 CA SER A 69 105.131 3.947 2.442 1.00 0.00 C ATOM 1330 C SER A 69 104.732 2.552 1.934 1.00 0.00 C ATOM 1331 O SER A 69 105.168 2.126 0.864 1.00 0.00 O ATOM 1332 CB SER A 69 106.425 3.854 3.253 1.00 0.00 C ATOM 1333 OG SER A 69 106.732 5.099 3.867 1.00 0.00 O ATOM 0 H SER A 69 104.414 4.851 4.187 1.00 0.00 H new ATOM 0 HA SER A 69 105.275 4.576 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.325 3.083 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 69 107.246 3.553 2.602 1.00 0.00 H new ATOM 0 HG SER A 69 107.562 5.014 4.381 1.00 0.00 H new ATOM 1339 N LEU A 70 103.890 1.850 2.684 1.00 0.00 N ATOM 1340 CA LEU A 70 103.547 0.471 2.345 1.00 0.00 C ATOM 1341 C LEU A 70 102.212 0.377 1.609 1.00 0.00 C ATOM 1342 O LEU A 70 101.854 -0.684 1.089 1.00 0.00 O ATOM 1343 CB LEU A 70 103.502 -0.383 3.615 1.00 0.00 C ATOM 1344 CG LEU A 70 104.809 -0.436 4.411 1.00 0.00 C ATOM 1345 CD1 LEU A 70 104.628 -1.259 5.677 1.00 0.00 C ATOM 1346 CD2 LEU A 70 105.933 -1.009 3.559 1.00 0.00 C ATOM 0 H LEU A 70 103.435 2.208 3.524 1.00 0.00 H new ATOM 0 HA LEU A 70 104.320 0.096 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.715 0.001 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.221 -1.400 3.340 1.00 0.00 H new ATOM 0 HG LEU A 70 105.079 0.581 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.567 -1.286 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 70 103.854 -0.807 6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.334 -2.274 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 70 106.853 -1.038 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.671 -2.019 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.080 -0.381 2.681 1.00 0.00 H new ATOM 1358 N LEU A 71 101.488 1.485 1.537 1.00 0.00 N ATOM 1359 CA LEU A 71 100.140 1.479 0.969 1.00 0.00 C ATOM 1360 C LEU A 71 100.112 2.157 -0.398 1.00 0.00 C ATOM 1361 O LEU A 71 99.053 2.518 -0.912 1.00 0.00 O ATOM 1362 CB LEU A 71 99.171 2.176 1.927 1.00 0.00 C ATOM 1363 CG LEU A 71 99.128 1.590 3.341 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.185 2.388 4.219 1.00 0.00 C ATOM 1365 CD2 LEU A 71 98.705 0.131 3.308 1.00 0.00 C ATOM 0 H LEU A 71 101.806 2.398 1.862 1.00 0.00 H new ATOM 0 HA LEU A 71 99.830 0.443 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.444 3.229 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 71 98.169 2.133 1.501 1.00 0.00 H new ATOM 0 HG LEU A 71 100.132 1.649 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.167 1.957 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.527 3.421 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.181 2.360 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 71 98.682 -0.264 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.713 0.050 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 71 99.417 -0.441 2.713 1.00 0.00 H new ATOM 1377 N ASP A 72 101.290 2.319 -0.981 1.00 0.00 N ATOM 1378 CA ASP A 72 101.434 2.944 -2.293 1.00 0.00 C ATOM 1379 C ASP A 72 100.837 2.073 -3.404 1.00 0.00 C ATOM 1380 O ASP A 72 100.960 0.846 -3.374 1.00 0.00 O ATOM 1381 CB ASP A 72 102.916 3.211 -2.573 1.00 0.00 C ATOM 1382 CG ASP A 72 103.159 3.809 -3.943 1.00 0.00 C ATOM 1383 OD1 ASP A 72 102.687 4.931 -4.193 1.00 0.00 O ATOM 1384 OD2 ASP A 72 103.834 3.159 -4.770 1.00 0.00 O ATOM 0 H ASP A 72 102.172 2.023 -0.562 1.00 0.00 H new ATOM 0 HA ASP A 72 100.885 3.885 -2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 72 103.308 3.886 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 72 103.471 2.277 -2.486 1.00 0.00 H new ATOM 1389 N GLN A 73 100.169 2.728 -4.360 1.00 0.00 N ATOM 1390 CA GLN A 73 99.601 2.073 -5.549 1.00 0.00 C ATOM 1391 C GLN A 73 98.685 0.899 -5.197 1.00 0.00 C ATOM 1392 O GLN A 73 98.576 -0.062 -5.959 1.00 0.00 O ATOM 1393 CB GLN A 73 100.722 1.591 -6.477 1.00 0.00 C ATOM 1394 CG GLN A 73 101.524 2.720 -7.105 1.00 0.00 C ATOM 1395 CD GLN A 73 102.615 2.218 -8.032 1.00 0.00 C ATOM 1396 OE1 GLN A 73 103.167 1.133 -7.839 1.00 0.00 O ATOM 1397 NE2 GLN A 73 102.943 3.008 -9.042 1.00 0.00 N ATOM 0 H GLN A 73 100.005 3.734 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 73 98.992 2.821 -6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.397 0.948 -5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.288 0.981 -7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.851 3.372 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.973 3.324 -6.316 1.00 0.00 H new ATOM 0 HE21 GLN A 73 102.463 3.899 -9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 73 103.675 2.726 -9.693 1.00 0.00 H new ATOM 1406 N THR A 74 97.994 0.992 -4.073 1.00 0.00 N ATOM 1407 CA THR A 74 97.168 -0.110 -3.612 1.00 0.00 C ATOM 1408 C THR A 74 95.680 0.150 -3.865 1.00 0.00 C ATOM 1409 O THR A 74 95.059 0.994 -3.217 1.00 0.00 O ATOM 1410 CB THR A 74 97.414 -0.378 -2.116 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.824 -0.506 -1.880 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.706 -1.648 -1.665 1.00 0.00 C ATOM 0 H THR A 74 97.988 1.813 -3.467 1.00 0.00 H new ATOM 0 HA THR A 74 97.452 -0.993 -4.184 1.00 0.00 H new ATOM 0 HB THR A 74 97.014 0.460 -1.545 1.00 0.00 H new ATOM 0 HG1 THR A 74 99.314 0.063 -2.510 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.896 -1.814 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.633 -1.545 -1.829 1.00 0.00 H new ATOM 0 HG23 THR A 74 97.081 -2.496 -2.238 1.00 0.00 H new ATOM 1420 N THR A 75 95.122 -0.565 -4.834 1.00 0.00 N ATOM 1421 CA THR A 75 93.695 -0.508 -5.113 1.00 0.00 C ATOM 1422 C THR A 75 92.996 -1.675 -4.415 1.00 0.00 C ATOM 1423 O THR A 75 93.527 -2.786 -4.387 1.00 0.00 O ATOM 1424 CB THR A 75 93.431 -0.566 -6.632 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.298 0.355 -7.311 1.00 0.00 O ATOM 1426 CG2 THR A 75 91.982 -0.228 -6.954 1.00 0.00 C ATOM 0 H THR A 75 95.642 -1.196 -5.444 1.00 0.00 H new ATOM 0 HA THR A 75 93.299 0.435 -4.736 1.00 0.00 H new ATOM 0 HB THR A 75 93.630 -1.583 -6.971 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.128 0.314 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.828 -0.277 -8.032 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.323 -0.942 -6.460 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.756 0.778 -6.601 1.00 0.00 H new ATOM 1434 N LEU A 76 91.823 -1.432 -3.848 1.00 0.00 N ATOM 1435 CA LEU A 76 91.158 -2.434 -3.029 1.00 0.00 C ATOM 1436 C LEU A 76 89.755 -2.763 -3.535 1.00 0.00 C ATOM 1437 O LEU A 76 88.980 -1.873 -3.887 1.00 0.00 O ATOM 1438 CB LEU A 76 91.079 -1.950 -1.578 1.00 0.00 C ATOM 1439 CG LEU A 76 90.390 -2.909 -0.605 1.00 0.00 C ATOM 1440 CD1 LEU A 76 91.189 -4.194 -0.461 1.00 0.00 C ATOM 1441 CD2 LEU A 76 90.192 -2.245 0.747 1.00 0.00 C ATOM 0 H LEU A 76 91.314 -0.553 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 76 91.751 -3.346 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 76 92.091 -1.760 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.550 -0.997 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 76 89.410 -3.162 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.682 -4.862 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.275 -4.680 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 76 92.184 -3.963 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.701 -2.942 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 76 91.161 -1.960 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.572 -1.356 0.629 1.00 0.00 H new ATOM 1453 N ASP A 77 89.450 -4.052 -3.572 1.00 0.00 N ATOM 1454 CA ASP A 77 88.107 -4.541 -3.859 1.00 0.00 C ATOM 1455 C ASP A 77 87.886 -5.817 -3.055 1.00 0.00 C ATOM 1456 O ASP A 77 88.843 -6.366 -2.510 1.00 0.00 O ATOM 1457 CB ASP A 77 87.932 -4.806 -5.360 1.00 0.00 C ATOM 1458 CG ASP A 77 86.513 -5.197 -5.725 1.00 0.00 C ATOM 1459 OD1 ASP A 77 85.605 -4.352 -5.582 1.00 0.00 O ATOM 1460 OD2 ASP A 77 86.298 -6.349 -6.156 1.00 0.00 O ATOM 0 H ASP A 77 90.130 -4.793 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 77 87.369 -3.790 -3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.213 -3.912 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.613 -5.600 -5.666 1.00 0.00 H new ATOM 1465 N TYR A 78 86.655 -6.289 -2.947 1.00 0.00 N ATOM 1466 CA TYR A 78 86.399 -7.495 -2.176 1.00 0.00 C ATOM 1467 C TYR A 78 85.577 -8.494 -2.985 1.00 0.00 C ATOM 1468 O TYR A 78 84.571 -8.139 -3.598 1.00 0.00 O ATOM 1469 CB TYR A 78 85.703 -7.161 -0.846 1.00 0.00 C ATOM 1470 CG TYR A 78 84.211 -6.928 -0.944 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.695 -5.737 -1.439 1.00 0.00 C ATOM 1472 CD2 TYR A 78 83.315 -7.905 -0.525 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.331 -5.527 -1.515 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.953 -7.704 -0.601 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.466 -6.515 -1.093 1.00 0.00 C ATOM 1476 OH TYR A 78 80.107 -6.311 -1.153 1.00 0.00 O ATOM 0 H TYR A 78 85.831 -5.866 -3.374 1.00 0.00 H new ATOM 0 HA TYR A 78 87.359 -7.957 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.883 -7.976 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 78 86.168 -6.270 -0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.371 -4.962 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.692 -8.838 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 78 81.945 -4.596 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 78 81.272 -8.476 -0.276 1.00 0.00 H new ATOM 0 HH TYR A 78 79.720 -6.418 -0.259 1.00 0.00 H new ATOM 1486 N VAL A 79 86.026 -9.739 -2.988 1.00 0.00 N ATOM 1487 CA VAL A 79 85.324 -10.812 -3.684 1.00 0.00 C ATOM 1488 C VAL A 79 85.317 -12.069 -2.829 1.00 0.00 C ATOM 1489 O VAL A 79 86.257 -12.324 -2.075 1.00 0.00 O ATOM 1490 CB VAL A 79 85.964 -11.139 -5.054 1.00 0.00 C ATOM 1491 CG1 VAL A 79 85.775 -9.990 -6.031 1.00 0.00 C ATOM 1492 CG2 VAL A 79 87.442 -11.468 -4.901 1.00 0.00 C ATOM 0 H VAL A 79 86.879 -10.035 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 79 84.306 -10.466 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 79 85.458 -12.017 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 79 86.234 -10.245 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 79 84.710 -9.808 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 79 86.245 -9.091 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 79 87.868 -11.694 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 79 87.962 -10.614 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 79 87.557 -12.332 -4.247 1.00 0.00 H new ATOM 1502 N GLU A 80 84.262 -12.851 -2.937 1.00 0.00 N ATOM 1503 CA GLU A 80 84.161 -14.082 -2.177 1.00 0.00 C ATOM 1504 C GLU A 80 84.870 -15.209 -2.920 1.00 0.00 C ATOM 1505 O GLU A 80 84.299 -15.831 -3.819 1.00 0.00 O ATOM 1506 CB GLU A 80 82.695 -14.444 -1.928 1.00 0.00 C ATOM 1507 CG GLU A 80 82.508 -15.726 -1.134 1.00 0.00 C ATOM 1508 CD GLU A 80 81.060 -16.147 -1.040 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.407 -16.278 -2.097 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.573 -16.377 0.083 1.00 0.00 O ATOM 0 H GLU A 80 83.464 -12.657 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 80 84.643 -13.937 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.213 -13.624 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.187 -14.544 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.085 -16.525 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.908 -15.588 -0.130 1.00 0.00 H new ATOM 1517 N LEU A 81 86.134 -15.430 -2.583 1.00 0.00 N ATOM 1518 CA LEU A 81 86.890 -16.529 -3.165 1.00 0.00 C ATOM 1519 C LEU A 81 86.381 -17.857 -2.615 1.00 0.00 C ATOM 1520 O LEU A 81 85.943 -18.732 -3.364 1.00 0.00 O ATOM 1521 CB LEU A 81 88.383 -16.372 -2.867 1.00 0.00 C ATOM 1522 CG LEU A 81 89.036 -15.089 -3.391 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.529 -15.105 -3.109 1.00 0.00 C ATOM 1524 CD2 LEU A 81 88.782 -14.920 -4.882 1.00 0.00 C ATOM 0 H LEU A 81 86.655 -14.865 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 81 86.752 -16.514 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 81 88.525 -16.415 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 81 88.911 -17.226 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 81 88.588 -14.242 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 81 90.980 -14.188 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.696 -15.176 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 81 90.984 -15.963 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.256 -14.002 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.199 -15.771 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.709 -14.866 -5.064 1.00 0.00 H new ATOM 1536 N GLU A 82 86.431 -17.988 -1.298 1.00 0.00 N ATOM 1537 CA GLU A 82 85.922 -19.168 -0.617 1.00 0.00 C ATOM 1538 C GLU A 82 84.555 -18.867 -0.015 1.00 0.00 C ATOM 1539 O GLU A 82 84.338 -17.776 0.514 1.00 0.00 O ATOM 1540 CB GLU A 82 86.901 -19.616 0.473 1.00 0.00 C ATOM 1541 CG GLU A 82 87.951 -20.613 -0.003 1.00 0.00 C ATOM 1542 CD GLU A 82 88.643 -20.200 -1.287 1.00 0.00 C ATOM 1543 OE1 GLU A 82 89.334 -19.163 -1.297 1.00 0.00 O ATOM 1544 OE2 GLU A 82 88.515 -20.928 -2.295 1.00 0.00 O ATOM 0 H GLU A 82 86.824 -17.283 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 82 85.818 -19.978 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 82 87.406 -18.738 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 82 86.337 -20.063 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 82 88.700 -20.740 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.477 -21.583 -0.151 1.00 0.00 H new ATOM 1551 N PRO A 83 83.620 -19.827 -0.088 1.00 0.00 N ATOM 1552 CA PRO A 83 82.237 -19.640 0.370 1.00 0.00 C ATOM 1553 C PRO A 83 82.154 -19.149 1.812 1.00 0.00 C ATOM 1554 O PRO A 83 82.629 -19.815 2.736 1.00 0.00 O ATOM 1555 CB PRO A 83 81.613 -21.039 0.245 1.00 0.00 C ATOM 1556 CG PRO A 83 82.763 -21.973 0.075 1.00 0.00 C ATOM 1557 CD PRO A 83 83.837 -21.183 -0.608 1.00 0.00 C ATOM 0 HA PRO A 83 81.725 -18.878 -0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 83 81.031 -21.290 1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 83 80.935 -21.092 -0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 83 83.107 -22.348 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 83 82.477 -22.840 -0.521 1.00 0.00 H new ATOM 0 HD2 PRO A 83 84.832 -21.556 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 83 83.740 -21.221 -1.693 1.00 0.00 H new ATOM 1565 N GLY A 84 81.566 -17.974 1.994 1.00 0.00 N ATOM 1566 CA GLY A 84 81.404 -17.415 3.320 1.00 0.00 C ATOM 1567 C GLY A 84 82.448 -16.365 3.628 1.00 0.00 C ATOM 1568 O GLY A 84 82.212 -15.451 4.420 1.00 0.00 O ATOM 0 H GLY A 84 81.196 -17.395 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 84 80.411 -16.974 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 84 81.465 -18.214 4.059 1.00 0.00 H new ATOM 1572 N GLN A 85 83.600 -16.481 2.984 1.00 0.00 N ATOM 1573 CA GLN A 85 84.703 -15.572 3.234 1.00 0.00 C ATOM 1574 C GLN A 85 84.778 -14.498 2.163 1.00 0.00 C ATOM 1575 O GLN A 85 85.266 -14.739 1.057 1.00 0.00 O ATOM 1576 CB GLN A 85 86.035 -16.327 3.293 1.00 0.00 C ATOM 1577 CG GLN A 85 86.111 -17.363 4.402 1.00 0.00 C ATOM 1578 CD GLN A 85 87.497 -17.971 4.528 1.00 0.00 C ATOM 1579 OE1 GLN A 85 88.236 -18.071 3.550 1.00 0.00 O ATOM 1580 NE2 GLN A 85 87.857 -18.378 5.732 1.00 0.00 N ATOM 0 H GLN A 85 83.793 -17.197 2.284 1.00 0.00 H new ATOM 0 HA GLN A 85 84.521 -15.098 4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 85 86.203 -16.821 2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 85 86.843 -15.607 3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 85 85.832 -16.900 5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 85 85.386 -18.154 4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 85 87.214 -18.277 6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 85 88.778 -18.793 5.876 1.00 0.00 H new ATOM 1589 N PHE A 86 84.284 -13.315 2.487 1.00 0.00 N ATOM 1590 CA PHE A 86 84.448 -12.170 1.613 1.00 0.00 C ATOM 1591 C PHE A 86 85.887 -11.697 1.701 1.00 0.00 C ATOM 1592 O PHE A 86 86.294 -11.076 2.684 1.00 0.00 O ATOM 1593 CB PHE A 86 83.479 -11.048 1.985 1.00 0.00 C ATOM 1594 CG PHE A 86 82.039 -11.395 1.733 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.520 -11.351 0.449 1.00 0.00 C ATOM 1596 CD2 PHE A 86 81.207 -11.772 2.776 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.200 -11.675 0.210 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.884 -12.095 2.541 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.379 -12.049 1.257 1.00 0.00 C ATOM 0 H PHE A 86 83.768 -13.124 3.346 1.00 0.00 H new ATOM 0 HA PHE A 86 84.220 -12.460 0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 86 83.607 -10.802 3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 86 83.734 -10.154 1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.156 -11.060 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 86 81.597 -11.814 3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 86 79.808 -11.636 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 86 79.245 -12.384 3.362 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.346 -12.304 1.071 1.00 0.00 H new ATOM 1609 N HIS A 87 86.655 -12.015 0.674 1.00 0.00 N ATOM 1610 CA HIS A 87 88.090 -11.816 0.706 1.00 0.00 C ATOM 1611 C HIS A 87 88.473 -10.528 -0.013 1.00 0.00 C ATOM 1612 O HIS A 87 88.170 -10.341 -1.190 1.00 0.00 O ATOM 1613 CB HIS A 87 88.790 -13.025 0.063 1.00 0.00 C ATOM 1614 CG HIS A 87 90.283 -12.912 -0.010 1.00 0.00 C ATOM 1615 ND1 HIS A 87 91.127 -13.352 0.983 1.00 0.00 N ATOM 1616 CD2 HIS A 87 91.077 -12.415 -0.984 1.00 0.00 C ATOM 1617 CE1 HIS A 87 92.378 -13.130 0.628 1.00 0.00 C ATOM 1618 NE2 HIS A 87 92.378 -12.560 -0.564 1.00 0.00 N ATOM 0 H HIS A 87 86.305 -12.414 -0.197 1.00 0.00 H new ATOM 0 HA HIS A 87 88.413 -11.727 1.743 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.533 -13.921 0.629 1.00 0.00 H new ATOM 0 HB3 HIS A 87 88.399 -13.162 -0.945 1.00 0.00 H new ATOM 0 HD2 HIS A 87 90.750 -11.984 -1.919 1.00 0.00 H new ATOM 0 HE1 HIS A 87 93.253 -13.373 1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 87 93.206 -12.275 -1.086 1.00 0.00 H new ATOM 1627 N PHE A 88 89.147 -9.654 0.713 1.00 0.00 N ATOM 1628 CA PHE A 88 89.607 -8.396 0.152 1.00 0.00 C ATOM 1629 C PHE A 88 90.832 -8.636 -0.719 1.00 0.00 C ATOM 1630 O PHE A 88 91.799 -9.262 -0.286 1.00 0.00 O ATOM 1631 CB PHE A 88 89.937 -7.405 1.272 1.00 0.00 C ATOM 1632 CG PHE A 88 88.738 -6.980 2.070 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.982 -5.886 1.680 1.00 0.00 C ATOM 1634 CD2 PHE A 88 88.370 -7.670 3.214 1.00 0.00 C ATOM 1635 CE1 PHE A 88 86.881 -5.490 2.412 1.00 0.00 C ATOM 1636 CE2 PHE A 88 87.269 -7.279 3.952 1.00 0.00 C ATOM 1637 CZ PHE A 88 86.524 -6.187 3.550 1.00 0.00 C ATOM 0 H PHE A 88 89.388 -9.793 1.694 1.00 0.00 H new ATOM 0 HA PHE A 88 88.814 -7.971 -0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 88 90.668 -7.857 1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 88 90.406 -6.522 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 88 88.258 -5.336 0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 88 88.950 -8.523 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 88 86.300 -4.637 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 88 86.991 -7.826 4.841 1.00 0.00 H new ATOM 0 HZ PHE A 88 85.663 -5.879 4.125 1.00 0.00 H new ATOM 1647 N ILE A 89 90.777 -8.159 -1.948 1.00 0.00 N ATOM 1648 CA ILE A 89 91.872 -8.333 -2.882 1.00 0.00 C ATOM 1649 C ILE A 89 92.584 -7.008 -3.112 1.00 0.00 C ATOM 1650 O ILE A 89 91.949 -5.982 -3.372 1.00 0.00 O ATOM 1651 CB ILE A 89 91.389 -8.912 -4.234 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.283 -8.036 -4.835 1.00 0.00 C ATOM 1653 CG2 ILE A 89 90.903 -10.343 -4.048 1.00 0.00 C ATOM 1654 CD1 ILE A 89 89.834 -8.472 -6.212 1.00 0.00 C ATOM 0 H ILE A 89 89.980 -7.645 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 89 92.567 -9.048 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 89 92.228 -8.918 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.424 -8.043 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 89 90.638 -7.007 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 89 90.566 -10.740 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.719 -10.958 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.076 -10.357 -3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 89 89.051 -7.803 -6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 89 90.680 -8.438 -6.898 1.00 0.00 H new ATOM 0 HD13 ILE A 89 89.447 -9.490 -6.163 1.00 0.00 H new ATOM 1666 N PHE A 90 93.897 -7.026 -2.979 1.00 0.00 N ATOM 1667 CA PHE A 90 94.696 -5.842 -3.214 1.00 0.00 C ATOM 1668 C PHE A 90 95.270 -5.890 -4.621 1.00 0.00 C ATOM 1669 O PHE A 90 96.069 -6.761 -4.952 1.00 0.00 O ATOM 1670 CB PHE A 90 95.809 -5.730 -2.170 1.00 0.00 C ATOM 1671 CG PHE A 90 95.294 -5.619 -0.760 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.988 -4.382 -0.215 1.00 0.00 C ATOM 1673 CD2 PHE A 90 95.108 -6.751 0.017 1.00 0.00 C ATOM 1674 CE1 PHE A 90 94.510 -4.275 1.076 1.00 0.00 C ATOM 1675 CE2 PHE A 90 94.630 -6.652 1.309 1.00 0.00 C ATOM 1676 CZ PHE A 90 94.330 -5.412 1.840 1.00 0.00 C ATOM 0 H PHE A 90 94.432 -7.851 -2.709 1.00 0.00 H new ATOM 0 HA PHE A 90 94.066 -4.957 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.457 -6.603 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.422 -4.858 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 90 95.125 -3.490 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 90 95.340 -7.723 -0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 90 94.277 -3.304 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 90 94.491 -7.543 1.904 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.956 -5.332 2.850 1.00 0.00 H new ATOM 1686 N LEU A 91 94.841 -4.958 -5.452 1.00 0.00 N ATOM 1687 CA LEU A 91 95.224 -4.941 -6.856 1.00 0.00 C ATOM 1688 C LEU A 91 96.546 -4.203 -7.049 1.00 0.00 C ATOM 1689 O LEU A 91 96.719 -3.449 -8.010 1.00 0.00 O ATOM 1690 CB LEU A 91 94.120 -4.283 -7.686 1.00 0.00 C ATOM 1691 CG LEU A 91 92.737 -4.926 -7.550 1.00 0.00 C ATOM 1692 CD1 LEU A 91 91.705 -4.143 -8.344 1.00 0.00 C ATOM 1693 CD2 LEU A 91 92.776 -6.377 -8.009 1.00 0.00 C ATOM 0 H LEU A 91 94.222 -4.196 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 91 95.359 -5.969 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.046 -3.234 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 91 94.413 -4.306 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 91 92.450 -4.905 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 91 90.728 -4.614 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 91 91.658 -3.120 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 91 91.988 -4.132 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 91 91.785 -6.818 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 91 93.085 -6.420 -9.053 1.00 0.00 H new ATOM 0 HD23 LEU A 91 93.486 -6.933 -7.397 1.00 0.00 H new ATOM 1705 N ASN A 92 97.476 -4.431 -6.134 1.00 0.00 N ATOM 1706 CA ASN A 92 98.795 -3.826 -6.215 1.00 0.00 C ATOM 1707 C ASN A 92 99.840 -4.901 -6.499 1.00 0.00 C ATOM 1708 O ASN A 92 99.696 -6.047 -6.068 1.00 0.00 O ATOM 1709 CB ASN A 92 99.124 -3.046 -4.928 1.00 0.00 C ATOM 1710 CG ASN A 92 99.219 -3.911 -3.682 1.00 0.00 C ATOM 1711 OD1 ASN A 92 98.630 -4.982 -3.602 1.00 0.00 O ATOM 1712 ND2 ASN A 92 99.940 -3.424 -2.685 1.00 0.00 N ATOM 0 H ASN A 92 97.339 -5.034 -5.323 1.00 0.00 H new ATOM 0 HA ASN A 92 98.806 -3.110 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 92 100.070 -2.522 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 92 98.359 -2.286 -4.771 1.00 0.00 H new ATOM 0 HD21 ASN A 92 100.020 -3.945 -1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 92 100.416 -2.528 -2.790 1.00 0.00 H new ATOM 1719 N PRO A 93 100.900 -4.550 -7.244 1.00 0.00 N ATOM 1720 CA PRO A 93 101.914 -5.508 -7.720 1.00 0.00 C ATOM 1721 C PRO A 93 102.813 -6.074 -6.615 1.00 0.00 C ATOM 1722 O PRO A 93 103.965 -6.426 -6.867 1.00 0.00 O ATOM 1723 CB PRO A 93 102.756 -4.683 -8.709 1.00 0.00 C ATOM 1724 CG PRO A 93 101.969 -3.442 -8.966 1.00 0.00 C ATOM 1725 CD PRO A 93 101.189 -3.190 -7.713 1.00 0.00 C ATOM 0 HA PRO A 93 101.435 -6.387 -8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 93 103.734 -4.447 -8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 93 102.930 -5.236 -9.632 1.00 0.00 H new ATOM 0 HG2 PRO A 93 102.625 -2.602 -9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 93 101.305 -3.569 -9.821 1.00 0.00 H new ATOM 0 HD2 PRO A 93 101.765 -2.622 -6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 93 100.277 -2.625 -7.908 1.00 0.00 H new ATOM 1733 N ARG A 94 102.293 -6.181 -5.402 1.00 0.00 N ATOM 1734 CA ARG A 94 103.043 -6.786 -4.311 1.00 0.00 C ATOM 1735 C ARG A 94 102.120 -7.488 -3.319 1.00 0.00 C ATOM 1736 O ARG A 94 102.552 -7.877 -2.230 1.00 0.00 O ATOM 1737 CB ARG A 94 103.911 -5.746 -3.598 1.00 0.00 C ATOM 1738 CG ARG A 94 103.138 -4.575 -3.024 1.00 0.00 C ATOM 1739 CD ARG A 94 104.080 -3.570 -2.389 1.00 0.00 C ATOM 1740 NE ARG A 94 103.379 -2.393 -1.883 1.00 0.00 N ATOM 1741 CZ ARG A 94 103.789 -1.146 -2.101 1.00 0.00 C ATOM 1742 NH1 ARG A 94 104.880 -0.920 -2.822 1.00 0.00 N ATOM 1743 NH2 ARG A 94 103.113 -0.127 -1.595 1.00 0.00 N ATOM 0 H ARG A 94 101.359 -5.859 -5.148 1.00 0.00 H new ATOM 0 HA ARG A 94 103.699 -7.540 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 94 104.456 -6.236 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 94 104.653 -5.367 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 94 102.561 -4.092 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 94 102.425 -4.933 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 94 104.619 -4.048 -1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 94 104.824 -3.259 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 94 102.531 -2.534 -1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 94 105.406 -1.703 -3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 94 105.193 0.037 -2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 94 102.276 -0.297 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 94 103.429 0.828 -1.763 1.00 0.00 H new ATOM 1757 N ASP A 95 100.859 -7.661 -3.696 1.00 0.00 N ATOM 1758 CA ASP A 95 99.926 -8.439 -2.885 1.00 0.00 C ATOM 1759 C ASP A 95 100.303 -9.914 -2.960 1.00 0.00 C ATOM 1760 O ASP A 95 100.619 -10.415 -4.037 1.00 0.00 O ATOM 1761 CB ASP A 95 98.486 -8.242 -3.371 1.00 0.00 C ATOM 1762 CG ASP A 95 97.502 -9.172 -2.679 1.00 0.00 C ATOM 1763 OD1 ASP A 95 97.306 -10.303 -3.170 1.00 0.00 O ATOM 1764 OD2 ASP A 95 96.933 -8.786 -1.641 1.00 0.00 O ATOM 0 H ASP A 95 100.459 -7.277 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 95 99.986 -8.096 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 95 98.186 -7.208 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 95 98.444 -8.410 -4.447 1.00 0.00 H new ATOM 1769 N PRO A 96 100.292 -10.625 -1.818 1.00 0.00 N ATOM 1770 CA PRO A 96 100.689 -12.040 -1.751 1.00 0.00 C ATOM 1771 C PRO A 96 99.955 -12.931 -2.759 1.00 0.00 C ATOM 1772 O PRO A 96 100.481 -13.964 -3.181 1.00 0.00 O ATOM 1773 CB PRO A 96 100.320 -12.444 -0.322 1.00 0.00 C ATOM 1774 CG PRO A 96 100.358 -11.174 0.452 1.00 0.00 C ATOM 1775 CD PRO A 96 99.900 -10.101 -0.496 1.00 0.00 C ATOM 0 HA PRO A 96 101.744 -12.164 -1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 96 99.332 -12.902 -0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 96 101.025 -13.173 0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 96 99.707 -11.229 1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 96 101.364 -10.969 0.817 1.00 0.00 H new ATOM 0 HD2 PRO A 96 98.824 -9.939 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 96 100.380 -9.145 -0.284 1.00 0.00 H new ATOM 1783 N THR A 97 98.757 -12.529 -3.153 1.00 0.00 N ATOM 1784 CA THR A 97 97.948 -13.320 -4.066 1.00 0.00 C ATOM 1785 C THR A 97 98.284 -12.990 -5.520 1.00 0.00 C ATOM 1786 O THR A 97 98.247 -13.859 -6.391 1.00 0.00 O ATOM 1787 CB THR A 97 96.446 -13.062 -3.838 1.00 0.00 C ATOM 1788 OG1 THR A 97 96.217 -12.685 -2.472 1.00 0.00 O ATOM 1789 CG2 THR A 97 95.625 -14.299 -4.170 1.00 0.00 C ATOM 0 H THR A 97 98.322 -11.656 -2.853 1.00 0.00 H new ATOM 0 HA THR A 97 98.172 -14.368 -3.868 1.00 0.00 H new ATOM 0 HB THR A 97 96.135 -12.252 -4.498 1.00 0.00 H new ATOM 0 HG1 THR A 97 96.453 -11.742 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 97 94.569 -14.091 -4.001 1.00 0.00 H new ATOM 0 HG22 THR A 97 95.779 -14.568 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 97 95.939 -15.126 -3.532 1.00 0.00 H new ATOM 1797 N TYR A 98 98.630 -11.734 -5.773 1.00 0.00 N ATOM 1798 CA TYR A 98 98.842 -11.261 -7.137 1.00 0.00 C ATOM 1799 C TYR A 98 100.322 -11.105 -7.474 1.00 0.00 C ATOM 1800 O TYR A 98 100.687 -10.399 -8.415 1.00 0.00 O ATOM 1801 CB TYR A 98 98.096 -9.944 -7.357 1.00 0.00 C ATOM 1802 CG TYR A 98 96.595 -10.119 -7.359 1.00 0.00 C ATOM 1803 CD1 TYR A 98 95.958 -10.714 -8.438 1.00 0.00 C ATOM 1804 CD2 TYR A 98 95.818 -9.702 -6.286 1.00 0.00 C ATOM 1805 CE1 TYR A 98 94.590 -10.892 -8.449 1.00 0.00 C ATOM 1806 CE2 TYR A 98 94.446 -9.875 -6.290 1.00 0.00 C ATOM 1807 CZ TYR A 98 93.839 -10.471 -7.375 1.00 0.00 C ATOM 1808 OH TYR A 98 92.474 -10.652 -7.388 1.00 0.00 O ATOM 0 H TYR A 98 98.770 -11.025 -5.053 1.00 0.00 H new ATOM 0 HA TYR A 98 98.443 -12.018 -7.812 1.00 0.00 H new ATOM 0 HB2 TYR A 98 98.375 -9.238 -6.575 1.00 0.00 H new ATOM 0 HB3 TYR A 98 98.408 -9.508 -8.306 1.00 0.00 H new ATOM 0 HD1 TYR A 98 96.543 -11.044 -9.284 1.00 0.00 H new ATOM 0 HD2 TYR A 98 96.293 -9.235 -5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 98 94.111 -11.359 -9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 98 93.854 -9.545 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 98 92.192 -11.076 -6.551 1.00 0.00 H new ATOM 1818 N ARG A 99 101.174 -11.777 -6.716 1.00 0.00 N ATOM 1819 CA ARG A 99 102.599 -11.819 -7.031 1.00 0.00 C ATOM 1820 C ARG A 99 102.911 -12.863 -8.111 1.00 0.00 C ATOM 1821 O ARG A 99 103.647 -12.558 -9.051 1.00 0.00 O ATOM 1822 CB ARG A 99 103.440 -12.070 -5.778 1.00 0.00 C ATOM 1823 CG ARG A 99 103.481 -10.876 -4.844 1.00 0.00 C ATOM 1824 CD ARG A 99 104.390 -11.113 -3.653 1.00 0.00 C ATOM 1825 NE ARG A 99 104.383 -9.969 -2.745 1.00 0.00 N ATOM 1826 CZ ARG A 99 105.478 -9.410 -2.232 1.00 0.00 C ATOM 1827 NH1 ARG A 99 106.678 -9.910 -2.492 1.00 0.00 N ATOM 1828 NH2 ARG A 99 105.364 -8.342 -1.453 1.00 0.00 N ATOM 0 H ARG A 99 100.908 -12.300 -5.881 1.00 0.00 H new ATOM 0 HA ARG A 99 102.867 -10.840 -7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 99 103.037 -12.930 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 99 104.457 -12.327 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 99 103.825 -9.999 -5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 99 102.473 -10.657 -4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 99 104.067 -12.006 -3.118 1.00 0.00 H new ATOM 0 HD3 ARG A 99 105.407 -11.299 -4.000 1.00 0.00 H new ATOM 0 HE ARG A 99 103.480 -9.572 -2.487 1.00 0.00 H new ATOM 0 HH11 ARG A 99 106.770 -10.731 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.510 -9.474 -2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 99 104.442 -7.954 -1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.198 -7.909 -1.057 1.00 0.00 H new ATOM 1842 N PRO A 100 102.377 -14.111 -8.001 1.00 0.00 N ATOM 1843 CA PRO A 100 102.564 -15.139 -9.034 1.00 0.00 C ATOM 1844 C PRO A 100 102.332 -14.601 -10.446 1.00 0.00 C ATOM 1845 O PRO A 100 101.277 -14.034 -10.739 1.00 0.00 O ATOM 1846 CB PRO A 100 101.507 -16.183 -8.683 1.00 0.00 C ATOM 1847 CG PRO A 100 101.362 -16.081 -7.207 1.00 0.00 C ATOM 1848 CD PRO A 100 101.579 -14.630 -6.866 1.00 0.00 C ATOM 0 HA PRO A 100 103.583 -15.525 -9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 100 100.564 -15.979 -9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 100 101.821 -17.183 -8.983 1.00 0.00 H new ATOM 0 HG2 PRO A 100 100.374 -16.413 -6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 100 102.090 -16.714 -6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 100 100.633 -14.098 -6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 100 102.109 -14.517 -5.920 1.00 0.00 H new ATOM 1856 N PRO A 101 103.322 -14.780 -11.335 1.00 0.00 N ATOM 1857 CA PRO A 101 103.280 -14.253 -12.707 1.00 0.00 C ATOM 1858 C PRO A 101 102.097 -14.781 -13.514 1.00 0.00 C ATOM 1859 O PRO A 101 101.709 -14.191 -14.522 1.00 0.00 O ATOM 1860 CB PRO A 101 104.598 -14.740 -13.322 1.00 0.00 C ATOM 1861 CG PRO A 101 105.484 -15.026 -12.162 1.00 0.00 C ATOM 1862 CD PRO A 101 104.576 -15.505 -11.067 1.00 0.00 C ATOM 0 HA PRO A 101 103.160 -13.170 -12.711 1.00 0.00 H new ATOM 0 HB2 PRO A 101 104.444 -15.632 -13.930 1.00 0.00 H new ATOM 0 HB3 PRO A 101 105.033 -13.982 -13.973 1.00 0.00 H new ATOM 0 HG2 PRO A 101 106.227 -15.783 -12.414 1.00 0.00 H new ATOM 0 HG3 PRO A 101 106.029 -14.133 -11.856 1.00 0.00 H new ATOM 0 HD2 PRO A 101 104.434 -16.585 -11.104 1.00 0.00 H new ATOM 0 HD3 PRO A 101 104.975 -15.270 -10.080 1.00 0.00 H new ATOM 1870 N SER A 102 101.530 -15.894 -13.073 1.00 0.00 N ATOM 1871 CA SER A 102 100.396 -16.501 -13.753 1.00 0.00 C ATOM 1872 C SER A 102 99.070 -15.948 -13.230 1.00 0.00 C ATOM 1873 O SER A 102 97.999 -16.454 -13.566 1.00 0.00 O ATOM 1874 CB SER A 102 100.451 -18.018 -13.581 1.00 0.00 C ATOM 1875 OG SER A 102 100.806 -18.363 -12.248 1.00 0.00 O ATOM 0 H SER A 102 101.839 -16.398 -12.242 1.00 0.00 H new ATOM 0 HA SER A 102 100.456 -16.255 -14.813 1.00 0.00 H new ATOM 0 HB2 SER A 102 99.482 -18.452 -13.828 1.00 0.00 H new ATOM 0 HB3 SER A 102 101.176 -18.441 -14.276 1.00 0.00 H new ATOM 0 HG SER A 102 100.834 -19.339 -12.159 1.00 0.00 H new ATOM 1881 N GLY A 103 99.147 -14.913 -12.405 1.00 0.00 N ATOM 1882 CA GLY A 103 97.946 -14.297 -11.881 1.00 0.00 C ATOM 1883 C GLY A 103 98.140 -12.831 -11.558 1.00 0.00 C ATOM 1884 O GLY A 103 97.420 -12.271 -10.729 1.00 0.00 O ATOM 0 H GLY A 103 100.020 -14.489 -12.090 1.00 0.00 H new ATOM 0 HA2 GLY A 103 97.141 -14.402 -12.608 1.00 0.00 H new ATOM 0 HA3 GLY A 103 97.633 -14.826 -10.981 1.00 0.00 H new ATOM 1888 N GLY A 104 99.112 -12.210 -12.207 1.00 0.00 N ATOM 1889 CA GLY A 104 99.384 -10.809 -11.973 1.00 0.00 C ATOM 1890 C GLY A 104 100.525 -10.312 -12.830 1.00 0.00 C ATOM 1891 O GLY A 104 101.415 -11.124 -13.163 1.00 0.00 O ATOM 1892 OXT GLY A 104 100.536 -9.113 -13.181 1.00 0.00 O ATOM 0 H GLY A 104 99.720 -12.654 -12.895 1.00 0.00 H new ATOM 0 HA2 GLY A 104 98.489 -10.224 -12.184 1.00 0.00 H new ATOM 0 HA3 GLY A 104 99.625 -10.655 -10.921 1.00 0.00 H new TER 1896 GLY A 104