USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=27 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 40 TYR OH : rot -141:sc= 0.0455 USER MOD Set 1.2: A 74 THR OG1 : rot -132:sc= 0.922 USER MOD Set 1.3: A 92 ASN : amide:sc= 0.34 K(o=1.3,f=-2.8!) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.0024 K(o=0.74,f=1.9) USER MOD Set 2.2: A 37 SER OG : rot 86:sc= 0.736 USER MOD Single : A 0 MET CE :methyl -143:sc= -0.647 (180deg=-4.83!) USER MOD Single : A 1 MET CE :methyl 177:sc= -1.11 (180deg=-1.14) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 130:sc= -1.21 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 180:sc= 0.0589 USER MOD Single : A 11 GLN : amide:sc= -0.787 K(o=-0.79,f=-2.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 21 THR OG1 : rot 160:sc= 0.28 USER MOD Single : A 24 MET CE :methyl -163:sc= -0.154 (180deg=-0.673) USER MOD Single : A 25 CYS SG : rot -99:sc= -2.61! USER MOD Single : A 42 MET CE :methyl -122:sc= -2.11! (180deg=-3.76) USER MOD Single : A 48 THR OG1 : rot -19:sc= 0.657 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 160:sc=-0.00275 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0465 X(o=-0.046,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.019) USER MOD Single : A 97 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -13 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=0.0039) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HE2:sc= -0.102 X(o=-0.1,f=-0.53) USER MOD Single : A -16 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A -17 SER OG : rot 160:sc= -0.196 USER MOD Single : A -18 SER OG : rot 180:sc= 0 USER MOD Single : A -20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -20 MET N :NH3+ -119:sc= 0.118 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -20 112.269 17.626 -15.650 1.00 0.00 N ATOM 2 CA MET A -20 112.369 16.786 -16.865 1.00 0.00 C ATOM 3 C MET A -20 112.722 15.358 -16.490 1.00 0.00 C ATOM 4 O MET A -20 112.967 15.054 -15.323 1.00 0.00 O ATOM 5 CB MET A -20 113.419 17.338 -17.835 1.00 0.00 C ATOM 6 CG MET A -20 113.023 18.649 -18.489 1.00 0.00 C ATOM 7 SD MET A -20 114.219 19.197 -19.723 1.00 0.00 S ATOM 8 CE MET A -20 113.473 20.740 -20.243 1.00 0.00 C ATOM 0 H1 MET A -20 111.306 18.010 -15.572 1.00 0.00 H new ATOM 0 H2 MET A -20 112.481 17.049 -14.811 1.00 0.00 H new ATOM 0 H3 MET A -20 112.950 18.409 -15.713 1.00 0.00 H new ATOM 0 HA MET A -20 111.399 16.801 -17.361 1.00 0.00 H new ATOM 0 HB2 MET A -20 114.357 17.480 -17.298 1.00 0.00 H new ATOM 0 HB3 MET A -20 113.606 16.597 -18.613 1.00 0.00 H new ATOM 0 HG2 MET A -20 112.047 18.536 -18.960 1.00 0.00 H new ATOM 0 HG3 MET A -20 112.920 19.417 -17.722 1.00 0.00 H new ATOM 0 HE1 MET A -20 114.095 21.205 -21.008 1.00 0.00 H new ATOM 0 HE2 MET A -20 112.481 20.545 -20.651 1.00 0.00 H new ATOM 0 HE3 MET A -20 113.389 21.410 -19.387 1.00 0.00 H new ATOM 20 N GLY A -19 112.737 14.483 -17.480 1.00 0.00 N ATOM 21 CA GLY A -19 113.017 13.088 -17.231 1.00 0.00 C ATOM 22 C GLY A -19 111.747 12.275 -17.214 1.00 0.00 C ATOM 23 O GLY A -19 110.672 12.811 -16.936 1.00 0.00 O ATOM 0 H GLY A -19 112.559 14.716 -18.457 1.00 0.00 H new ATOM 0 HA2 GLY A -19 113.687 12.705 -18.001 1.00 0.00 H new ATOM 0 HA3 GLY A -19 113.533 12.982 -16.277 1.00 0.00 H new ATOM 27 N SER A -18 111.856 10.995 -17.514 1.00 0.00 N ATOM 28 CA SER A -18 110.694 10.127 -17.561 1.00 0.00 C ATOM 29 C SER A -18 110.128 9.906 -16.161 1.00 0.00 C ATOM 30 O SER A -18 110.668 9.129 -15.374 1.00 0.00 O ATOM 31 CB SER A -18 111.065 8.795 -18.208 1.00 0.00 C ATOM 32 OG SER A -18 111.742 9.008 -19.439 1.00 0.00 O ATOM 0 H SER A -18 112.739 10.532 -17.729 1.00 0.00 H new ATOM 0 HA SER A -18 109.923 10.607 -18.164 1.00 0.00 H new ATOM 0 HB2 SER A -18 111.699 8.221 -17.533 1.00 0.00 H new ATOM 0 HB3 SER A -18 110.165 8.205 -18.379 1.00 0.00 H new ATOM 0 HG SER A -18 111.974 8.144 -19.839 1.00 0.00 H new ATOM 38 N SER A -17 109.054 10.617 -15.852 1.00 0.00 N ATOM 39 CA SER A -17 108.398 10.483 -14.567 1.00 0.00 C ATOM 40 C SER A -17 107.691 9.137 -14.486 1.00 0.00 C ATOM 41 O SER A -17 106.589 8.965 -15.010 1.00 0.00 O ATOM 42 CB SER A -17 107.408 11.628 -14.367 1.00 0.00 C ATOM 43 OG SER A -17 108.046 12.883 -14.559 1.00 0.00 O ATOM 0 H SER A -17 108.619 11.294 -16.479 1.00 0.00 H new ATOM 0 HA SER A -17 109.144 10.530 -13.773 1.00 0.00 H new ATOM 0 HB2 SER A -17 106.579 11.525 -15.067 1.00 0.00 H new ATOM 0 HB3 SER A -17 106.986 11.579 -13.363 1.00 0.00 H new ATOM 0 HG SER A -17 107.371 13.568 -14.746 1.00 0.00 H new ATOM 49 N HIS A -16 108.335 8.184 -13.826 1.00 0.00 N ATOM 50 CA HIS A -16 107.877 6.799 -13.826 1.00 0.00 C ATOM 51 C HIS A -16 106.600 6.625 -13.001 1.00 0.00 C ATOM 52 O HIS A -16 105.988 5.560 -13.010 1.00 0.00 O ATOM 53 CB HIS A -16 108.981 5.875 -13.305 1.00 0.00 C ATOM 54 CG HIS A -16 108.756 4.432 -13.639 1.00 0.00 C ATOM 55 ND1 HIS A -16 108.655 3.442 -12.687 1.00 0.00 N ATOM 56 CD2 HIS A -16 108.618 3.816 -14.835 1.00 0.00 C ATOM 57 CE1 HIS A -16 108.464 2.281 -13.285 1.00 0.00 C ATOM 58 NE2 HIS A -16 108.437 2.481 -14.587 1.00 0.00 N ATOM 0 H HIS A -16 109.181 8.345 -13.280 1.00 0.00 H new ATOM 0 HA HIS A -16 107.642 6.527 -14.855 1.00 0.00 H new ATOM 0 HB2 HIS A -16 109.937 6.192 -13.722 1.00 0.00 H new ATOM 0 HB3 HIS A -16 109.054 5.983 -12.223 1.00 0.00 H new ATOM 0 HD2 HIS A -16 108.645 4.289 -15.806 1.00 0.00 H new ATOM 0 HE1 HIS A -16 108.349 1.328 -12.790 1.00 0.00 H new ATOM 0 HE2 HIS A -16 108.303 1.759 -15.295 1.00 0.00 H new ATOM 67 N HIS A -15 106.198 7.671 -12.293 1.00 0.00 N ATOM 68 CA HIS A -15 104.946 7.638 -11.546 1.00 0.00 C ATOM 69 C HIS A -15 103.773 8.035 -12.434 1.00 0.00 C ATOM 70 O HIS A -15 102.621 7.959 -12.010 1.00 0.00 O ATOM 71 CB HIS A -15 105.013 8.540 -10.312 1.00 0.00 C ATOM 72 CG HIS A -15 105.428 7.807 -9.072 1.00 0.00 C ATOM 73 ND1 HIS A -15 106.715 7.822 -8.575 1.00 0.00 N ATOM 74 CD2 HIS A -15 104.713 7.023 -8.229 1.00 0.00 C ATOM 75 CE1 HIS A -15 106.771 7.078 -7.485 1.00 0.00 C ATOM 76 NE2 HIS A -15 105.572 6.584 -7.253 1.00 0.00 N ATOM 0 H HIS A -15 106.715 8.547 -12.219 1.00 0.00 H new ATOM 0 HA HIS A -15 104.790 6.614 -11.207 1.00 0.00 H new ATOM 0 HB2 HIS A -15 105.716 9.352 -10.500 1.00 0.00 H new ATOM 0 HB3 HIS A -15 104.036 8.996 -10.148 1.00 0.00 H new ATOM 0 HD1 HIS A -15 107.500 8.328 -8.985 1.00 0.00 H new ATOM 0 HD2 HIS A -15 103.662 6.787 -8.310 1.00 0.00 H new ATOM 0 HE1 HIS A -15 107.652 6.904 -6.885 1.00 0.00 H new ATOM 85 N HIS A -14 104.082 8.454 -13.667 1.00 0.00 N ATOM 86 CA HIS A -14 103.078 8.789 -14.691 1.00 0.00 C ATOM 87 C HIS A -14 102.345 10.094 -14.385 1.00 0.00 C ATOM 88 O HIS A -14 102.199 10.945 -15.264 1.00 0.00 O ATOM 89 CB HIS A -14 102.068 7.648 -14.886 1.00 0.00 C ATOM 90 CG HIS A -14 102.683 6.382 -15.401 1.00 0.00 C ATOM 91 ND1 HIS A -14 102.706 6.043 -16.735 1.00 0.00 N ATOM 92 CD2 HIS A -14 103.311 5.376 -14.750 1.00 0.00 C ATOM 93 CE1 HIS A -14 103.324 4.886 -16.881 1.00 0.00 C ATOM 94 NE2 HIS A -14 103.701 4.461 -15.692 1.00 0.00 N ATOM 0 H HIS A -14 105.043 8.572 -13.987 1.00 0.00 H new ATOM 0 HA HIS A -14 103.629 8.929 -15.621 1.00 0.00 H new ATOM 0 HB2 HIS A -14 101.577 7.442 -13.935 1.00 0.00 H new ATOM 0 HB3 HIS A -14 101.294 7.974 -15.580 1.00 0.00 H new ATOM 0 HD2 HIS A -14 103.475 5.307 -13.685 1.00 0.00 H new ATOM 0 HE1 HIS A -14 103.492 4.374 -17.817 1.00 0.00 H new ATOM 0 HE2 HIS A -14 104.202 3.592 -15.504 1.00 0.00 H new ATOM 103 N HIS A -13 101.880 10.244 -13.150 1.00 0.00 N ATOM 104 CA HIS A -13 101.181 11.457 -12.731 1.00 0.00 C ATOM 105 C HIS A -13 102.087 12.668 -12.923 1.00 0.00 C ATOM 106 O HIS A -13 103.220 12.688 -12.445 1.00 0.00 O ATOM 107 CB HIS A -13 100.733 11.350 -11.267 1.00 0.00 C ATOM 108 CG HIS A -13 99.807 10.199 -10.998 1.00 0.00 C ATOM 109 ND1 HIS A -13 98.439 10.278 -11.141 1.00 0.00 N ATOM 110 CD2 HIS A -13 100.065 8.931 -10.600 1.00 0.00 C ATOM 111 CE1 HIS A -13 97.899 9.111 -10.843 1.00 0.00 C ATOM 112 NE2 HIS A -13 98.864 8.273 -10.512 1.00 0.00 N ATOM 0 H HIS A -13 101.974 9.540 -12.418 1.00 0.00 H new ATOM 0 HA HIS A -13 100.291 11.577 -13.348 1.00 0.00 H new ATOM 0 HB2 HIS A -13 101.614 11.250 -10.634 1.00 0.00 H new ATOM 0 HB3 HIS A -13 100.237 12.277 -10.980 1.00 0.00 H new ATOM 0 HD2 HIS A -13 101.039 8.513 -10.390 1.00 0.00 H new ATOM 0 HE1 HIS A -13 96.844 8.880 -10.866 1.00 0.00 H new ATOM 0 HE2 HIS A -13 98.738 7.299 -10.237 1.00 0.00 H new ATOM 121 N HIS A -12 101.574 13.679 -13.609 1.00 0.00 N ATOM 122 CA HIS A -12 102.396 14.796 -14.059 1.00 0.00 C ATOM 123 C HIS A -12 102.749 15.732 -12.915 1.00 0.00 C ATOM 124 O HIS A -12 103.787 16.385 -12.944 1.00 0.00 O ATOM 125 CB HIS A -12 101.688 15.583 -15.163 1.00 0.00 C ATOM 126 CG HIS A -12 101.376 14.777 -16.386 1.00 0.00 C ATOM 127 ND1 HIS A -12 102.306 14.485 -17.358 1.00 0.00 N ATOM 128 CD2 HIS A -12 100.219 14.203 -16.793 1.00 0.00 C ATOM 129 CE1 HIS A -12 101.737 13.768 -18.308 1.00 0.00 C ATOM 130 NE2 HIS A -12 100.472 13.583 -17.989 1.00 0.00 N ATOM 0 H HIS A -12 100.590 13.750 -13.867 1.00 0.00 H new ATOM 0 HA HIS A -12 103.319 14.372 -14.454 1.00 0.00 H new ATOM 0 HB2 HIS A -12 100.760 15.992 -14.764 1.00 0.00 H new ATOM 0 HB3 HIS A -12 102.313 16.429 -15.449 1.00 0.00 H new ATOM 0 HD2 HIS A -12 99.273 14.229 -16.272 1.00 0.00 H new ATOM 0 HE1 HIS A -12 102.225 13.396 -19.197 1.00 0.00 H new ATOM 0 HE2 HIS A -12 99.791 13.063 -18.542 1.00 0.00 H new ATOM 139 N HIS A -11 101.886 15.804 -11.908 1.00 0.00 N ATOM 140 CA HIS A -11 102.149 16.671 -10.764 1.00 0.00 C ATOM 141 C HIS A -11 103.245 16.063 -9.894 1.00 0.00 C ATOM 142 O HIS A -11 103.931 16.762 -9.152 1.00 0.00 O ATOM 143 CB HIS A -11 100.878 16.897 -9.940 1.00 0.00 C ATOM 144 CG HIS A -11 100.958 18.090 -9.031 1.00 0.00 C ATOM 145 ND1 HIS A -11 100.394 19.305 -9.347 1.00 0.00 N ATOM 146 CD2 HIS A -11 101.535 18.253 -7.815 1.00 0.00 C ATOM 147 CE1 HIS A -11 100.618 20.162 -8.372 1.00 0.00 C ATOM 148 NE2 HIS A -11 101.306 19.550 -7.431 1.00 0.00 N ATOM 0 H HIS A -11 101.011 15.282 -11.859 1.00 0.00 H new ATOM 0 HA HIS A -11 102.483 17.640 -11.136 1.00 0.00 H new ATOM 0 HB2 HIS A -11 100.033 17.022 -10.617 1.00 0.00 H new ATOM 0 HB3 HIS A -11 100.679 16.007 -9.342 1.00 0.00 H new ATOM 0 HD2 HIS A -11 102.073 17.503 -7.254 1.00 0.00 H new ATOM 0 HE1 HIS A -11 100.293 21.192 -8.349 1.00 0.00 H new ATOM 0 HE2 HIS A -11 101.619 19.972 -6.557 1.00 0.00 H new ATOM 157 N SER A -10 103.408 14.754 -10.009 1.00 0.00 N ATOM 158 CA SER A -10 104.443 14.038 -9.287 1.00 0.00 C ATOM 159 C SER A -10 105.571 13.663 -10.244 1.00 0.00 C ATOM 160 O SER A -10 106.024 12.517 -10.281 1.00 0.00 O ATOM 161 CB SER A -10 103.844 12.788 -8.640 1.00 0.00 C ATOM 162 OG SER A -10 102.734 13.131 -7.823 1.00 0.00 O ATOM 0 H SER A -10 102.828 14.162 -10.604 1.00 0.00 H new ATOM 0 HA SER A -10 104.852 14.675 -8.502 1.00 0.00 H new ATOM 0 HB2 SER A -10 103.530 12.087 -9.413 1.00 0.00 H new ATOM 0 HB3 SER A -10 104.602 12.284 -8.040 1.00 0.00 H new ATOM 0 HG SER A -10 102.362 12.319 -7.419 1.00 0.00 H new ATOM 168 N SER A -9 106.016 14.651 -11.013 1.00 0.00 N ATOM 169 CA SER A -9 107.037 14.454 -12.028 1.00 0.00 C ATOM 170 C SER A -9 108.386 14.088 -11.414 1.00 0.00 C ATOM 171 O SER A -9 109.104 14.944 -10.891 1.00 0.00 O ATOM 172 CB SER A -9 107.150 15.717 -12.882 1.00 0.00 C ATOM 173 OG SER A -9 107.035 16.883 -12.080 1.00 0.00 O ATOM 0 H SER A -9 105.677 15.611 -10.948 1.00 0.00 H new ATOM 0 HA SER A -9 106.741 13.615 -12.658 1.00 0.00 H new ATOM 0 HB2 SER A -9 108.107 15.723 -13.405 1.00 0.00 H new ATOM 0 HB3 SER A -9 106.371 15.717 -13.644 1.00 0.00 H new ATOM 0 HG SER A -9 107.112 17.679 -12.647 1.00 0.00 H new ATOM 179 N GLY A -8 108.707 12.805 -11.461 1.00 0.00 N ATOM 180 CA GLY A -8 109.975 12.330 -10.965 1.00 0.00 C ATOM 181 C GLY A -8 109.944 10.840 -10.704 1.00 0.00 C ATOM 182 O GLY A -8 108.952 10.171 -11.014 1.00 0.00 O ATOM 0 H GLY A -8 108.101 12.077 -11.840 1.00 0.00 H new ATOM 0 HA2 GLY A -8 110.758 12.558 -11.688 1.00 0.00 H new ATOM 0 HA3 GLY A -8 110.228 12.857 -10.045 1.00 0.00 H new ATOM 186 N LEU A -7 111.023 10.318 -10.146 1.00 0.00 N ATOM 187 CA LEU A -7 111.081 8.915 -9.771 1.00 0.00 C ATOM 188 C LEU A -7 110.514 8.753 -8.371 1.00 0.00 C ATOM 189 O LEU A -7 109.578 7.986 -8.148 1.00 0.00 O ATOM 190 CB LEU A -7 112.523 8.400 -9.826 1.00 0.00 C ATOM 191 CG LEU A -7 113.193 8.486 -11.199 1.00 0.00 C ATOM 192 CD1 LEU A -7 114.625 7.982 -11.123 1.00 0.00 C ATOM 193 CD2 LEU A -7 112.403 7.695 -12.232 1.00 0.00 C ATOM 0 H LEU A -7 111.872 10.845 -9.942 1.00 0.00 H new ATOM 0 HA LEU A -7 110.489 8.329 -10.474 1.00 0.00 H new ATOM 0 HB2 LEU A -7 113.121 8.965 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A -7 112.533 7.360 -9.499 1.00 0.00 H new ATOM 0 HG LEU A -7 113.210 9.531 -11.508 1.00 0.00 H new ATOM 0 HD11 LEU A -7 115.087 8.050 -12.108 1.00 0.00 H new ATOM 0 HD12 LEU A -7 115.188 8.591 -10.415 1.00 0.00 H new ATOM 0 HD13 LEU A -7 114.628 6.944 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU A -7 112.896 7.769 -13.201 1.00 0.00 H new ATOM 0 HD22 LEU A -7 112.353 6.649 -11.929 1.00 0.00 H new ATOM 0 HD23 LEU A -7 111.394 8.100 -12.306 1.00 0.00 H new ATOM 205 N VAL A -6 111.074 9.510 -7.443 1.00 0.00 N ATOM 206 CA VAL A -6 110.573 9.567 -6.081 1.00 0.00 C ATOM 207 C VAL A -6 109.963 10.942 -5.835 1.00 0.00 C ATOM 208 O VAL A -6 110.654 11.959 -5.921 1.00 0.00 O ATOM 209 CB VAL A -6 111.688 9.298 -5.046 1.00 0.00 C ATOM 210 CG1 VAL A -6 111.135 9.338 -3.629 1.00 0.00 C ATOM 211 CG2 VAL A -6 112.361 7.961 -5.321 1.00 0.00 C ATOM 0 H VAL A -6 111.888 10.101 -7.612 1.00 0.00 H new ATOM 0 HA VAL A -6 109.820 8.788 -5.961 1.00 0.00 H new ATOM 0 HB VAL A -6 112.435 10.086 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A -6 111.939 9.146 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A -6 110.706 10.321 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A -6 110.363 8.576 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A -6 113.144 7.789 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A -6 111.622 7.162 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A -6 112.800 7.973 -6.318 1.00 0.00 H new ATOM 221 N PRO A -5 108.655 10.994 -5.560 1.00 0.00 N ATOM 222 CA PRO A -5 107.931 12.246 -5.404 1.00 0.00 C ATOM 223 C PRO A -5 108.085 12.848 -4.013 1.00 0.00 C ATOM 224 O PRO A -5 107.938 12.161 -3.002 1.00 0.00 O ATOM 225 CB PRO A -5 106.463 11.854 -5.650 1.00 0.00 C ATOM 226 CG PRO A -5 106.454 10.372 -5.877 1.00 0.00 C ATOM 227 CD PRO A -5 107.771 9.847 -5.378 1.00 0.00 C ATOM 0 HA PRO A -5 108.306 13.008 -6.087 1.00 0.00 H new ATOM 0 HB2 PRO A -5 105.841 12.120 -4.795 1.00 0.00 H new ATOM 0 HB3 PRO A -5 106.059 12.382 -6.514 1.00 0.00 H new ATOM 0 HG2 PRO A -5 105.625 9.905 -5.345 1.00 0.00 H new ATOM 0 HG3 PRO A -5 106.323 10.144 -6.935 1.00 0.00 H new ATOM 0 HD2 PRO A -5 107.716 9.538 -4.334 1.00 0.00 H new ATOM 0 HD3 PRO A -5 108.106 8.981 -5.949 1.00 0.00 H new ATOM 235 N ARG A -4 108.403 14.129 -3.971 1.00 0.00 N ATOM 236 CA ARG A -4 108.379 14.875 -2.729 1.00 0.00 C ATOM 237 C ARG A -4 106.979 15.434 -2.531 1.00 0.00 C ATOM 238 O ARG A -4 106.606 16.444 -3.128 1.00 0.00 O ATOM 239 CB ARG A -4 109.432 15.984 -2.747 1.00 0.00 C ATOM 240 CG ARG A -4 110.856 15.451 -2.731 1.00 0.00 C ATOM 241 CD ARG A -4 111.885 16.563 -2.855 1.00 0.00 C ATOM 242 NE ARG A -4 111.679 17.617 -1.865 1.00 0.00 N ATOM 243 CZ ARG A -4 112.461 17.819 -0.804 1.00 0.00 C ATOM 244 NH1 ARG A -4 113.481 17.005 -0.553 1.00 0.00 N ATOM 245 NH2 ARG A -4 112.208 18.828 0.016 1.00 0.00 N ATOM 0 H ARG A -4 108.682 14.675 -4.786 1.00 0.00 H new ATOM 0 HA ARG A -4 108.623 14.220 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A -4 109.290 16.598 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A -4 109.283 16.633 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A -4 111.026 14.902 -1.805 1.00 0.00 H new ATOM 0 HG3 ARG A -4 110.987 14.744 -3.550 1.00 0.00 H new ATOM 0 HD2 ARG A -4 112.885 16.146 -2.736 1.00 0.00 H new ATOM 0 HD3 ARG A -4 111.835 16.992 -3.856 1.00 0.00 H new ATOM 0 HE ARG A -4 110.883 18.241 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A -4 113.671 16.219 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A -4 114.074 17.167 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A -4 111.418 19.447 -0.165 1.00 0.00 H new ATOM 0 HH22 ARG A -4 112.804 18.986 0.829 1.00 0.00 H new ATOM 259 N GLY A -3 106.203 14.743 -1.717 1.00 0.00 N ATOM 260 CA GLY A -3 104.780 14.993 -1.642 1.00 0.00 C ATOM 261 C GLY A -3 104.023 13.757 -2.073 1.00 0.00 C ATOM 262 O GLY A -3 103.344 13.752 -3.103 1.00 0.00 O ATOM 0 H GLY A -3 106.537 14.004 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A -3 104.502 15.265 -0.624 1.00 0.00 H new ATOM 0 HA3 GLY A -3 104.515 15.835 -2.281 1.00 0.00 H new ATOM 266 N SER A -2 104.170 12.702 -1.284 1.00 0.00 N ATOM 267 CA SER A -2 103.681 11.378 -1.644 1.00 0.00 C ATOM 268 C SER A -2 102.158 11.327 -1.723 1.00 0.00 C ATOM 269 O SER A -2 101.455 12.063 -1.026 1.00 0.00 O ATOM 270 CB SER A -2 104.185 10.352 -0.626 1.00 0.00 C ATOM 271 OG SER A -2 105.602 10.375 -0.538 1.00 0.00 O ATOM 0 H SER A -2 104.632 12.740 -0.375 1.00 0.00 H new ATOM 0 HA SER A -2 104.065 11.141 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A -2 103.753 10.563 0.352 1.00 0.00 H new ATOM 0 HB3 SER A -2 103.851 9.355 -0.914 1.00 0.00 H new ATOM 0 HG SER A -2 105.900 9.712 0.120 1.00 0.00 H new ATOM 277 N HIS A -1 101.665 10.454 -2.590 1.00 0.00 N ATOM 278 CA HIS A -1 100.239 10.209 -2.720 1.00 0.00 C ATOM 279 C HIS A -1 99.958 8.735 -2.479 1.00 0.00 C ATOM 280 O HIS A -1 100.873 7.914 -2.526 1.00 0.00 O ATOM 281 CB HIS A -1 99.725 10.629 -4.100 1.00 0.00 C ATOM 282 CG HIS A -1 99.621 12.111 -4.277 1.00 0.00 C ATOM 283 ND1 HIS A -1 98.575 12.851 -3.778 1.00 0.00 N ATOM 284 CD2 HIS A -1 100.436 12.992 -4.904 1.00 0.00 C ATOM 285 CE1 HIS A -1 98.747 14.118 -4.090 1.00 0.00 C ATOM 286 NE2 HIS A -1 99.868 14.234 -4.771 1.00 0.00 N ATOM 0 H HIS A -1 102.242 9.898 -3.221 1.00 0.00 H new ATOM 0 HA HIS A -1 99.714 10.809 -1.977 1.00 0.00 H new ATOM 0 HB2 HIS A -1 100.390 10.226 -4.864 1.00 0.00 H new ATOM 0 HB3 HIS A -1 98.744 10.183 -4.264 1.00 0.00 H new ATOM 0 HD2 HIS A -1 101.360 12.761 -5.413 1.00 0.00 H new ATOM 0 HE1 HIS A -1 98.080 14.927 -3.831 1.00 0.00 H new ATOM 0 HE2 HIS A -1 100.251 15.105 -5.139 1.00 0.00 H new ATOM 295 N MET A 0 98.702 8.402 -2.233 1.00 0.00 N ATOM 296 CA MET A 0 98.343 7.043 -1.856 1.00 0.00 C ATOM 297 C MET A 0 98.084 6.178 -3.078 1.00 0.00 C ATOM 298 O MET A 0 98.587 5.057 -3.173 1.00 0.00 O ATOM 299 CB MET A 0 97.106 7.040 -0.952 1.00 0.00 C ATOM 300 CG MET A 0 97.292 7.806 0.348 1.00 0.00 C ATOM 301 SD MET A 0 98.734 7.255 1.280 1.00 0.00 S ATOM 302 CE MET A 0 98.394 5.505 1.442 1.00 0.00 C ATOM 0 H MET A 0 97.916 9.050 -2.287 1.00 0.00 H new ATOM 0 HA MET A 0 99.188 6.624 -1.309 1.00 0.00 H new ATOM 0 HB2 MET A 0 96.267 7.470 -1.499 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.840 6.009 -0.720 1.00 0.00 H new ATOM 0 HG2 MET A 0 97.391 8.869 0.128 1.00 0.00 H new ATOM 0 HG3 MET A 0 96.400 7.690 0.964 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.723 5.160 2.422 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.323 5.331 1.337 1.00 0.00 H new ATOM 0 HE3 MET A 0 98.928 4.957 0.666 1.00 0.00 H new ATOM 312 N MET A 1 97.296 6.707 -4.009 1.00 0.00 N ATOM 313 CA MET A 1 96.868 5.953 -5.185 1.00 0.00 C ATOM 314 C MET A 1 96.106 4.705 -4.745 1.00 0.00 C ATOM 315 O MET A 1 96.139 3.665 -5.403 1.00 0.00 O ATOM 316 CB MET A 1 98.072 5.578 -6.062 1.00 0.00 C ATOM 317 CG MET A 1 98.797 6.781 -6.647 1.00 0.00 C ATOM 318 SD MET A 1 100.255 6.329 -7.608 1.00 0.00 S ATOM 319 CE MET A 1 101.290 5.622 -6.328 1.00 0.00 C ATOM 0 H MET A 1 96.938 7.661 -3.972 1.00 0.00 H new ATOM 0 HA MET A 1 96.206 6.578 -5.784 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.775 4.994 -5.469 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.733 4.938 -6.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 98.109 7.339 -7.282 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.095 7.447 -5.837 1.00 0.00 H new ATOM 0 HE1 MET A 1 102.211 5.245 -6.772 1.00 0.00 H new ATOM 0 HE2 MET A 1 101.530 6.387 -5.590 1.00 0.00 H new ATOM 0 HE3 MET A 1 100.759 4.803 -5.842 1.00 0.00 H new ATOM 329 N PHE A 2 95.407 4.840 -3.624 1.00 0.00 N ATOM 330 CA PHE A 2 94.647 3.748 -3.039 1.00 0.00 C ATOM 331 C PHE A 2 93.320 3.609 -3.773 1.00 0.00 C ATOM 332 O PHE A 2 92.457 4.488 -3.692 1.00 0.00 O ATOM 333 CB PHE A 2 94.414 4.026 -1.547 1.00 0.00 C ATOM 334 CG PHE A 2 93.861 2.866 -0.759 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.712 1.918 -0.210 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.498 2.739 -0.545 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.212 0.864 0.533 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.993 1.688 0.200 1.00 0.00 C ATOM 339 CZ PHE A 2 92.852 0.749 0.740 1.00 0.00 C ATOM 0 H PHE A 2 95.353 5.711 -3.097 1.00 0.00 H new ATOM 0 HA PHE A 2 95.202 2.815 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.359 4.332 -1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 2 93.729 4.869 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.777 2.004 -0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 2 91.822 3.469 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.886 0.131 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.928 1.601 0.360 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.460 -0.072 1.322 1.00 0.00 H new ATOM 349 N LYS A 3 93.172 2.523 -4.511 1.00 0.00 N ATOM 350 CA LYS A 3 91.969 2.299 -5.292 1.00 0.00 C ATOM 351 C LYS A 3 90.978 1.455 -4.503 1.00 0.00 C ATOM 352 O LYS A 3 91.026 0.229 -4.537 1.00 0.00 O ATOM 353 CB LYS A 3 92.309 1.618 -6.623 1.00 0.00 C ATOM 354 CG LYS A 3 91.115 1.458 -7.552 1.00 0.00 C ATOM 355 CD LYS A 3 91.490 0.701 -8.815 1.00 0.00 C ATOM 356 CE LYS A 3 90.301 0.559 -9.747 1.00 0.00 C ATOM 357 NZ LYS A 3 90.620 -0.265 -10.941 1.00 0.00 N ATOM 0 H LYS A 3 93.870 1.783 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 3 91.512 3.265 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 3 93.078 2.199 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.734 0.635 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 3 90.317 0.928 -7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 3 90.725 2.441 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 3 92.297 1.224 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.868 -0.287 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 3 89.470 0.106 -9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 3 89.972 1.548 -10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 89.779 -0.335 -11.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 91.396 0.179 -11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 90.909 -1.217 -10.639 1.00 0.00 H new ATOM 371 N LEU A 4 90.108 2.122 -3.766 1.00 0.00 N ATOM 372 CA LEU A 4 89.088 1.445 -2.982 1.00 0.00 C ATOM 373 C LEU A 4 87.808 1.352 -3.808 1.00 0.00 C ATOM 374 O LEU A 4 87.210 2.376 -4.152 1.00 0.00 O ATOM 375 CB LEU A 4 88.851 2.222 -1.675 1.00 0.00 C ATOM 376 CG LEU A 4 88.190 1.445 -0.527 1.00 0.00 C ATOM 377 CD1 LEU A 4 88.343 2.206 0.780 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.718 1.203 -0.807 1.00 0.00 C ATOM 0 H LEU A 4 90.087 3.139 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 4 89.411 0.436 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.811 2.599 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 4 88.231 3.090 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 4 88.690 0.480 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.870 1.644 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 4 89.402 2.338 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.867 3.182 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.276 0.651 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.207 2.159 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.613 0.625 -1.725 1.00 0.00 H new ATOM 390 N THR A 5 87.402 0.134 -4.153 1.00 0.00 N ATOM 391 CA THR A 5 86.231 -0.065 -4.999 1.00 0.00 C ATOM 392 C THR A 5 84.935 0.115 -4.209 1.00 0.00 C ATOM 393 O THR A 5 84.897 -0.121 -2.999 1.00 0.00 O ATOM 394 CB THR A 5 86.244 -1.457 -5.671 1.00 0.00 C ATOM 395 OG1 THR A 5 86.295 -2.494 -4.683 1.00 0.00 O ATOM 396 CG2 THR A 5 87.432 -1.588 -6.613 1.00 0.00 C ATOM 0 H THR A 5 87.865 -0.727 -3.861 1.00 0.00 H new ATOM 0 HA THR A 5 86.274 0.696 -5.778 1.00 0.00 H new ATOM 0 HB THR A 5 85.324 -1.561 -6.246 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.596 -3.156 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.422 -2.575 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.368 -0.824 -7.387 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.357 -1.459 -6.052 1.00 0.00 H new ATOM 404 N PRO A 6 83.855 0.539 -4.889 1.00 0.00 N ATOM 405 CA PRO A 6 82.552 0.779 -4.256 1.00 0.00 C ATOM 406 C PRO A 6 82.028 -0.446 -3.506 1.00 0.00 C ATOM 407 O PRO A 6 81.289 -0.315 -2.527 1.00 0.00 O ATOM 408 CB PRO A 6 81.625 1.127 -5.431 1.00 0.00 C ATOM 409 CG PRO A 6 82.363 0.712 -6.659 1.00 0.00 C ATOM 410 CD PRO A 6 83.819 0.829 -6.328 1.00 0.00 C ATOM 0 HA PRO A 6 82.614 1.566 -3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.674 0.602 -5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.400 2.193 -5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.108 -0.310 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.103 1.349 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.421 0.121 -6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.204 1.824 -6.549 1.00 0.00 H new ATOM 418 N ALA A 7 82.418 -1.631 -3.963 1.00 0.00 N ATOM 419 CA ALA A 7 82.028 -2.869 -3.304 1.00 0.00 C ATOM 420 C ALA A 7 82.642 -2.949 -1.911 1.00 0.00 C ATOM 421 O ALA A 7 81.960 -3.263 -0.934 1.00 0.00 O ATOM 422 CB ALA A 7 82.447 -4.069 -4.140 1.00 0.00 C ATOM 0 H ALA A 7 83.004 -1.759 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 7 80.943 -2.880 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.148 -4.987 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.964 -4.019 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 7 83.529 -4.062 -4.270 1.00 0.00 H new ATOM 428 N ALA A 8 83.930 -2.638 -1.826 1.00 0.00 N ATOM 429 CA ALA A 8 84.642 -2.663 -0.558 1.00 0.00 C ATOM 430 C ALA A 8 84.123 -1.567 0.361 1.00 0.00 C ATOM 431 O ALA A 8 83.996 -1.756 1.572 1.00 0.00 O ATOM 432 CB ALA A 8 86.138 -2.503 -0.789 1.00 0.00 C ATOM 0 H ALA A 8 84.503 -2.365 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 8 84.468 -3.626 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 8 86.658 -2.524 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.499 -3.319 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.330 -1.552 -1.286 1.00 0.00 H new ATOM 438 N ALA A 9 83.806 -0.424 -0.238 1.00 0.00 N ATOM 439 CA ALA A 9 83.276 0.714 0.500 1.00 0.00 C ATOM 440 C ALA A 9 81.957 0.362 1.175 1.00 0.00 C ATOM 441 O ALA A 9 81.684 0.810 2.292 1.00 0.00 O ATOM 442 CB ALA A 9 83.092 1.904 -0.430 1.00 0.00 C ATOM 0 H ALA A 9 83.908 -0.262 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 9 83.993 0.979 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.695 2.748 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.053 2.178 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.396 1.640 -1.226 1.00 0.00 H new ATOM 448 N GLU A 10 81.149 -0.456 0.506 1.00 0.00 N ATOM 449 CA GLU A 10 79.853 -0.840 1.041 1.00 0.00 C ATOM 450 C GLU A 10 80.003 -1.642 2.327 1.00 0.00 C ATOM 451 O GLU A 10 79.245 -1.440 3.264 1.00 0.00 O ATOM 452 CB GLU A 10 79.035 -1.644 0.029 1.00 0.00 C ATOM 453 CG GLU A 10 77.694 -2.086 0.595 1.00 0.00 C ATOM 454 CD GLU A 10 76.869 -2.901 -0.377 1.00 0.00 C ATOM 455 OE1 GLU A 10 77.297 -4.013 -0.746 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.776 -2.437 -0.758 1.00 0.00 O ATOM 0 H GLU A 10 81.370 -0.862 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 10 79.319 0.085 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.870 -1.040 -0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 10 79.604 -2.521 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.865 -2.674 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 10 77.126 -1.205 0.892 1.00 0.00 H new ATOM 463 N GLN A 11 80.976 -2.544 2.379 1.00 0.00 N ATOM 464 CA GLN A 11 81.162 -3.367 3.570 1.00 0.00 C ATOM 465 C GLN A 11 81.626 -2.515 4.747 1.00 0.00 C ATOM 466 O GLN A 11 81.196 -2.721 5.883 1.00 0.00 O ATOM 467 CB GLN A 11 82.149 -4.506 3.316 1.00 0.00 C ATOM 468 CG GLN A 11 82.344 -5.405 4.530 1.00 0.00 C ATOM 469 CD GLN A 11 83.200 -6.619 4.240 1.00 0.00 C ATOM 470 OE1 GLN A 11 84.069 -6.587 3.377 1.00 0.00 O ATOM 471 NE2 GLN A 11 82.968 -7.699 4.967 1.00 0.00 N ATOM 0 H GLN A 11 81.639 -2.723 1.625 1.00 0.00 H new ATOM 0 HA GLN A 11 80.197 -3.810 3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 11 81.794 -5.107 2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 11 83.111 -4.087 3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 11 82.804 -4.827 5.332 1.00 0.00 H new ATOM 0 HG3 GLN A 11 81.370 -5.733 4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 11 82.236 -7.688 5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 11 83.521 -8.543 4.818 1.00 0.00 H new ATOM 480 N VAL A 12 82.495 -1.549 4.470 1.00 0.00 N ATOM 481 CA VAL A 12 82.949 -0.623 5.503 1.00 0.00 C ATOM 482 C VAL A 12 81.767 0.188 6.032 1.00 0.00 C ATOM 483 O VAL A 12 81.617 0.386 7.239 1.00 0.00 O ATOM 484 CB VAL A 12 84.038 0.335 4.967 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.544 1.250 6.073 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.188 -0.449 4.353 1.00 0.00 C ATOM 0 H VAL A 12 82.897 -1.387 3.547 1.00 0.00 H new ATOM 0 HA VAL A 12 83.383 -1.212 6.311 1.00 0.00 H new ATOM 0 HB VAL A 12 83.592 0.955 4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.309 1.915 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.716 1.842 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.970 0.649 6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.943 0.244 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.631 -1.098 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.815 -1.055 3.528 1.00 0.00 H new ATOM 496 N LEU A 13 80.920 0.630 5.110 1.00 0.00 N ATOM 497 CA LEU A 13 79.706 1.360 5.451 1.00 0.00 C ATOM 498 C LEU A 13 78.726 0.455 6.194 1.00 0.00 C ATOM 499 O LEU A 13 78.041 0.886 7.116 1.00 0.00 O ATOM 500 CB LEU A 13 79.053 1.901 4.174 1.00 0.00 C ATOM 501 CG LEU A 13 77.723 2.631 4.369 1.00 0.00 C ATOM 502 CD1 LEU A 13 77.923 3.898 5.184 1.00 0.00 C ATOM 503 CD2 LEU A 13 77.090 2.954 3.025 1.00 0.00 C ATOM 0 H LEU A 13 81.055 0.493 4.108 1.00 0.00 H new ATOM 0 HA LEU A 13 79.970 2.192 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 13 79.753 2.582 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 13 78.893 1.069 3.489 1.00 0.00 H new ATOM 0 HG LEU A 13 77.048 1.974 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 13 76.966 4.403 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 13 78.331 3.641 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 13 78.616 4.560 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 13 76.145 3.473 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 13 77.762 3.591 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 13 76.909 2.030 2.477 1.00 0.00 H new ATOM 515 N LYS A 14 78.694 -0.803 5.787 1.00 0.00 N ATOM 516 CA LYS A 14 77.761 -1.793 6.314 1.00 0.00 C ATOM 517 C LYS A 14 77.966 -1.996 7.813 1.00 0.00 C ATOM 518 O LYS A 14 77.005 -2.035 8.583 1.00 0.00 O ATOM 519 CB LYS A 14 77.975 -3.109 5.560 1.00 0.00 C ATOM 520 CG LYS A 14 76.771 -4.033 5.525 1.00 0.00 C ATOM 521 CD LYS A 14 77.019 -5.189 4.566 1.00 0.00 C ATOM 522 CE LYS A 14 75.780 -6.045 4.366 1.00 0.00 C ATOM 523 NZ LYS A 14 76.004 -7.111 3.351 1.00 0.00 N ATOM 0 H LYS A 14 79.321 -1.173 5.073 1.00 0.00 H new ATOM 0 HA LYS A 14 76.739 -1.442 6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.268 -2.880 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.809 -3.641 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.570 -4.418 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.886 -3.477 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.346 -4.796 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.829 -5.809 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.495 -6.500 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.948 -5.414 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.137 -7.674 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.251 -6.676 2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.781 -7.729 3.662 1.00 0.00 H new ATOM 537 N ALA A 15 79.228 -2.104 8.221 1.00 0.00 N ATOM 538 CA ALA A 15 79.570 -2.302 9.624 1.00 0.00 C ATOM 539 C ALA A 15 79.126 -1.115 10.473 1.00 0.00 C ATOM 540 O ALA A 15 78.756 -1.269 11.638 1.00 0.00 O ATOM 541 CB ALA A 15 81.067 -2.530 9.771 1.00 0.00 C ATOM 0 H ALA A 15 80.033 -2.057 7.596 1.00 0.00 H new ATOM 0 HA ALA A 15 79.040 -3.185 9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 15 81.311 -2.677 10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 15 81.358 -3.415 9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.606 -1.662 9.391 1.00 0.00 H new ATOM 547 N ALA A 16 79.151 0.069 9.880 1.00 0.00 N ATOM 548 CA ALA A 16 78.724 1.274 10.573 1.00 0.00 C ATOM 549 C ALA A 16 77.204 1.396 10.550 1.00 0.00 C ATOM 550 O ALA A 16 76.577 1.656 11.575 1.00 0.00 O ATOM 551 CB ALA A 16 79.369 2.503 9.945 1.00 0.00 C ATOM 0 H ALA A 16 79.462 0.221 8.921 1.00 0.00 H new ATOM 0 HA ALA A 16 79.046 1.207 11.612 1.00 0.00 H new ATOM 0 HB1 ALA A 16 79.040 3.397 10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 16 80.454 2.420 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.076 2.573 8.898 1.00 0.00 H new ATOM 557 N LYS A 17 76.627 1.167 9.376 1.00 0.00 N ATOM 558 CA LYS A 17 75.186 1.291 9.159 1.00 0.00 C ATOM 559 C LYS A 17 74.389 0.427 10.130 1.00 0.00 C ATOM 560 O LYS A 17 73.353 0.849 10.645 1.00 0.00 O ATOM 561 CB LYS A 17 74.850 0.897 7.717 1.00 0.00 C ATOM 562 CG LYS A 17 73.360 0.877 7.407 1.00 0.00 C ATOM 563 CD LYS A 17 73.098 0.383 5.995 1.00 0.00 C ATOM 564 CE LYS A 17 71.609 0.253 5.718 1.00 0.00 C ATOM 565 NZ LYS A 17 71.343 -0.249 4.346 1.00 0.00 N ATOM 0 H LYS A 17 77.146 0.889 8.543 1.00 0.00 H new ATOM 0 HA LYS A 17 74.908 2.330 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.342 1.594 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.265 -0.091 7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.846 0.234 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 17 72.948 1.879 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.544 1.073 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.582 -0.583 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.162 -0.425 6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.129 1.223 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.316 -0.324 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.747 0.410 3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.779 -1.186 4.229 1.00 0.00 H new ATOM 579 N GLN A 18 74.879 -0.776 10.393 1.00 0.00 N ATOM 580 CA GLN A 18 74.167 -1.722 11.243 1.00 0.00 C ATOM 581 C GLN A 18 74.369 -1.422 12.728 1.00 0.00 C ATOM 582 O GLN A 18 73.922 -2.183 13.588 1.00 0.00 O ATOM 583 CB GLN A 18 74.596 -3.153 10.921 1.00 0.00 C ATOM 584 CG GLN A 18 74.195 -3.589 9.521 1.00 0.00 C ATOM 585 CD GLN A 18 74.616 -5.008 9.197 1.00 0.00 C ATOM 586 OE1 GLN A 18 75.630 -5.501 9.691 1.00 0.00 O ATOM 587 NE2 GLN A 18 73.836 -5.680 8.363 1.00 0.00 N ATOM 0 H GLN A 18 75.768 -1.121 10.030 1.00 0.00 H new ATOM 0 HA GLN A 18 73.103 -1.615 11.033 1.00 0.00 H new ATOM 0 HB2 GLN A 18 75.678 -3.235 11.026 1.00 0.00 H new ATOM 0 HB3 GLN A 18 74.153 -3.833 11.649 1.00 0.00 H new ATOM 0 HG2 GLN A 18 73.113 -3.504 9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 18 74.640 -2.909 8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 18 73.004 -5.237 7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 18 74.068 -6.640 8.110 1.00 0.00 H new ATOM 596 N GLY A 19 75.024 -0.306 13.027 1.00 0.00 N ATOM 597 CA GLY A 19 75.201 0.104 14.407 1.00 0.00 C ATOM 598 C GLY A 19 76.415 -0.529 15.055 1.00 0.00 C ATOM 599 O GLY A 19 76.522 -0.575 16.281 1.00 0.00 O ATOM 0 H GLY A 19 75.436 0.323 12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.296 1.189 14.450 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.311 -0.161 14.977 1.00 0.00 H new ATOM 603 N GLY A 20 77.329 -1.023 14.234 1.00 0.00 N ATOM 604 CA GLY A 20 78.530 -1.635 14.758 1.00 0.00 C ATOM 605 C GLY A 20 79.612 -0.613 15.029 1.00 0.00 C ATOM 606 O GLY A 20 79.886 -0.276 16.179 1.00 0.00 O ATOM 0 H GLY A 20 77.260 -1.011 13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 20 78.294 -2.167 15.680 1.00 0.00 H new ATOM 0 HA3 GLY A 20 78.899 -2.375 14.048 1.00 0.00 H new ATOM 610 N THR A 21 80.216 -0.106 13.970 1.00 0.00 N ATOM 611 CA THR A 21 81.292 0.861 14.096 1.00 0.00 C ATOM 612 C THR A 21 80.838 2.253 13.665 1.00 0.00 C ATOM 613 O THR A 21 81.641 3.066 13.203 1.00 0.00 O ATOM 614 CB THR A 21 82.501 0.427 13.253 1.00 0.00 C ATOM 615 OG1 THR A 21 82.062 0.011 11.952 1.00 0.00 O ATOM 616 CG2 THR A 21 83.254 -0.708 13.933 1.00 0.00 C ATOM 0 H THR A 21 79.978 -0.349 13.008 1.00 0.00 H new ATOM 0 HA THR A 21 81.580 0.903 15.146 1.00 0.00 H new ATOM 0 HB THR A 21 83.176 1.277 13.153 1.00 0.00 H new ATOM 0 HG1 THR A 21 82.814 0.049 11.325 1.00 0.00 H new ATOM 0 HG21 THR A 21 84.106 -0.999 13.318 1.00 0.00 H new ATOM 0 HG22 THR A 21 83.607 -0.377 14.909 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.589 -1.562 14.059 1.00 0.00 H new ATOM 624 N GLU A 22 79.549 2.528 13.842 1.00 0.00 N ATOM 625 CA GLU A 22 78.975 3.810 13.454 1.00 0.00 C ATOM 626 C GLU A 22 79.613 4.951 14.239 1.00 0.00 C ATOM 627 O GLU A 22 79.526 5.002 15.466 1.00 0.00 O ATOM 628 CB GLU A 22 77.458 3.803 13.668 1.00 0.00 C ATOM 629 CG GLU A 22 76.779 5.103 13.267 1.00 0.00 C ATOM 630 CD GLU A 22 75.268 5.016 13.325 1.00 0.00 C ATOM 631 OE1 GLU A 22 74.712 4.964 14.443 1.00 0.00 O ATOM 632 OE2 GLU A 22 74.631 5.017 12.250 1.00 0.00 O ATOM 0 H GLU A 22 78.881 1.876 14.253 1.00 0.00 H new ATOM 0 HA GLU A 22 79.180 3.966 12.395 1.00 0.00 H new ATOM 0 HB2 GLU A 22 77.023 2.984 13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 22 77.249 3.603 14.719 1.00 0.00 H new ATOM 0 HG2 GLU A 22 77.118 5.903 13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.085 5.371 12.256 1.00 0.00 H new ATOM 639 N GLY A 23 80.277 5.847 13.522 1.00 0.00 N ATOM 640 CA GLY A 23 80.898 6.990 14.156 1.00 0.00 C ATOM 641 C GLY A 23 82.405 6.863 14.230 1.00 0.00 C ATOM 642 O GLY A 23 83.095 7.804 14.611 1.00 0.00 O ATOM 0 H GLY A 23 80.396 5.801 12.510 1.00 0.00 H new ATOM 0 HA2 GLY A 23 80.639 7.893 13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.496 7.106 15.163 1.00 0.00 H new ATOM 646 N MET A 24 82.921 5.698 13.867 1.00 0.00 N ATOM 647 CA MET A 24 84.357 5.460 13.906 1.00 0.00 C ATOM 648 C MET A 24 84.978 5.663 12.528 1.00 0.00 C ATOM 649 O MET A 24 84.343 5.395 11.507 1.00 0.00 O ATOM 650 CB MET A 24 84.654 4.046 14.407 1.00 0.00 C ATOM 651 CG MET A 24 84.192 3.787 15.832 1.00 0.00 C ATOM 652 SD MET A 24 85.043 4.818 17.044 1.00 0.00 S ATOM 653 CE MET A 24 86.737 4.280 16.823 1.00 0.00 C ATOM 0 H MET A 24 82.369 4.904 13.543 1.00 0.00 H new ATOM 0 HA MET A 24 84.798 6.179 14.596 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.173 3.328 13.743 1.00 0.00 H new ATOM 0 HB3 MET A 24 85.728 3.867 14.346 1.00 0.00 H new ATOM 0 HG2 MET A 24 83.119 3.967 15.899 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.355 2.737 16.077 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.332 4.588 17.683 1.00 0.00 H new ATOM 0 HE2 MET A 24 86.765 3.194 16.733 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.147 4.730 15.919 1.00 0.00 H new ATOM 663 N CYS A 25 86.216 6.137 12.505 1.00 0.00 N ATOM 664 CA CYS A 25 86.929 6.357 11.255 1.00 0.00 C ATOM 665 C CYS A 25 87.854 5.181 10.959 1.00 0.00 C ATOM 666 O CYS A 25 88.255 4.450 11.869 1.00 0.00 O ATOM 667 CB CYS A 25 87.724 7.660 11.325 1.00 0.00 C ATOM 668 SG CYS A 25 86.703 9.115 11.661 1.00 0.00 S ATOM 0 H CYS A 25 86.749 6.377 13.341 1.00 0.00 H new ATOM 0 HA CYS A 25 86.203 6.436 10.446 1.00 0.00 H new ATOM 0 HB2 CYS A 25 88.483 7.572 12.103 1.00 0.00 H new ATOM 0 HB3 CYS A 25 88.250 7.806 10.382 1.00 0.00 H new ATOM 0 HG CYS A 25 86.455 9.738 10.547 1.00 0.00 H new ATOM 674 N LEU A 26 88.191 4.998 9.691 1.00 0.00 N ATOM 675 CA LEU A 26 88.993 3.858 9.273 1.00 0.00 C ATOM 676 C LEU A 26 90.482 4.191 9.307 1.00 0.00 C ATOM 677 O LEU A 26 90.931 5.134 8.662 1.00 0.00 O ATOM 678 CB LEU A 26 88.584 3.420 7.861 1.00 0.00 C ATOM 679 CG LEU A 26 89.284 2.164 7.332 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.931 0.955 8.184 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.908 1.920 5.879 1.00 0.00 C ATOM 0 H LEU A 26 87.921 5.625 8.933 1.00 0.00 H new ATOM 0 HA LEU A 26 88.813 3.040 9.971 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.508 3.247 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.781 4.242 7.173 1.00 0.00 H new ATOM 0 HG LEU A 26 90.361 2.320 7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.438 0.073 7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.249 1.129 9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.853 0.795 8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.413 1.024 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.829 1.785 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.211 2.776 5.276 1.00 0.00 H new ATOM 693 N ARG A 27 91.234 3.411 10.067 1.00 0.00 N ATOM 694 CA ARG A 27 92.680 3.568 10.138 1.00 0.00 C ATOM 695 C ARG A 27 93.351 2.452 9.345 1.00 0.00 C ATOM 696 O ARG A 27 93.063 1.272 9.559 1.00 0.00 O ATOM 697 CB ARG A 27 93.160 3.520 11.594 1.00 0.00 C ATOM 698 CG ARG A 27 94.666 3.698 11.752 1.00 0.00 C ATOM 699 CD ARG A 27 95.037 5.134 12.093 1.00 0.00 C ATOM 700 NE ARG A 27 94.615 5.493 13.449 1.00 0.00 N ATOM 701 CZ ARG A 27 94.968 6.614 14.078 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.749 7.509 13.487 1.00 0.00 N ATOM 703 NH2 ARG A 27 94.551 6.837 15.315 1.00 0.00 N ATOM 0 H ARG A 27 90.865 2.658 10.647 1.00 0.00 H new ATOM 0 HA ARG A 27 92.947 4.537 9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.650 4.299 12.161 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.869 2.565 12.031 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.029 3.034 12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 27 95.165 3.404 10.828 1.00 0.00 H new ATOM 0 HD2 ARG A 27 96.115 5.263 12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.572 5.811 11.376 1.00 0.00 H new ATOM 0 HE ARG A 27 94.009 4.840 13.946 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.087 7.344 12.539 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.011 8.362 13.981 1.00 0.00 H new ATOM 0 HH21 ARG A 27 93.960 6.151 15.785 1.00 0.00 H new ATOM 0 HH22 ARG A 27 94.821 7.694 15.797 1.00 0.00 H new ATOM 717 N LEU A 28 94.226 2.819 8.427 1.00 0.00 N ATOM 718 CA LEU A 28 94.960 1.831 7.651 1.00 0.00 C ATOM 719 C LEU A 28 96.359 1.650 8.213 1.00 0.00 C ATOM 720 O LEU A 28 97.191 2.551 8.124 1.00 0.00 O ATOM 721 CB LEU A 28 95.041 2.233 6.175 1.00 0.00 C ATOM 722 CG LEU A 28 93.700 2.340 5.445 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.922 2.602 3.964 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.879 1.078 5.644 1.00 0.00 C ATOM 0 H LEU A 28 94.447 3.789 8.200 1.00 0.00 H new ATOM 0 HA LEU A 28 94.420 0.886 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.550 3.195 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.662 1.506 5.652 1.00 0.00 H new ATOM 0 HG LEU A 28 93.146 3.179 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.959 2.675 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.470 3.536 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.497 1.783 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.930 1.175 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.427 0.222 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.690 0.931 6.707 1.00 0.00 H new ATOM 736 N ALA A 29 96.614 0.494 8.804 1.00 0.00 N ATOM 737 CA ALA A 29 97.920 0.190 9.357 1.00 0.00 C ATOM 738 C ALA A 29 98.649 -0.812 8.478 1.00 0.00 C ATOM 739 O ALA A 29 98.184 -1.940 8.293 1.00 0.00 O ATOM 740 CB ALA A 29 97.788 -0.333 10.778 1.00 0.00 C ATOM 0 H ALA A 29 95.927 -0.253 8.913 1.00 0.00 H new ATOM 0 HA ALA A 29 98.507 1.108 9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.778 -0.556 11.177 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.307 0.422 11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.184 -1.241 10.777 1.00 0.00 H new ATOM 746 N ALA A 30 99.774 -0.395 7.928 1.00 0.00 N ATOM 747 CA ALA A 30 100.553 -1.245 7.050 1.00 0.00 C ATOM 748 C ALA A 30 101.766 -1.806 7.772 1.00 0.00 C ATOM 749 O ALA A 30 102.416 -1.111 8.556 1.00 0.00 O ATOM 750 CB ALA A 30 100.988 -0.472 5.816 1.00 0.00 C ATOM 0 H ALA A 30 100.170 0.533 8.076 1.00 0.00 H new ATOM 0 HA ALA A 30 99.924 -2.080 6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.572 -1.123 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.108 -0.118 5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.597 0.381 6.117 1.00 0.00 H new ATOM 756 N GLY A 31 102.056 -3.066 7.506 1.00 0.00 N ATOM 757 CA GLY A 31 103.223 -3.708 8.059 1.00 0.00 C ATOM 758 C GLY A 31 103.821 -4.663 7.056 1.00 0.00 C ATOM 759 O GLY A 31 103.590 -4.516 5.858 1.00 0.00 O ATOM 0 H GLY A 31 101.491 -3.665 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 31 103.961 -2.956 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 31 102.954 -4.246 8.968 1.00 0.00 H new ATOM 763 N ARG A 32 104.561 -5.653 7.521 1.00 0.00 N ATOM 764 CA ARG A 32 105.142 -6.633 6.617 1.00 0.00 C ATOM 765 C ARG A 32 105.340 -7.975 7.291 1.00 0.00 C ATOM 766 O ARG A 32 105.712 -8.053 8.461 1.00 0.00 O ATOM 767 CB ARG A 32 106.478 -6.148 6.053 1.00 0.00 C ATOM 768 CG ARG A 32 106.363 -5.522 4.677 1.00 0.00 C ATOM 769 CD ARG A 32 107.724 -5.141 4.130 1.00 0.00 C ATOM 770 NE ARG A 32 107.643 -4.604 2.777 1.00 0.00 N ATOM 771 CZ ARG A 32 108.241 -3.483 2.389 1.00 0.00 C ATOM 772 NH1 ARG A 32 108.922 -2.744 3.256 1.00 0.00 N ATOM 773 NH2 ARG A 32 108.147 -3.090 1.130 1.00 0.00 N ATOM 0 H ARG A 32 104.773 -5.801 8.508 1.00 0.00 H new ATOM 0 HA ARG A 32 104.433 -6.756 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 32 106.910 -5.420 6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.169 -6.989 6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 32 105.878 -6.222 3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 32 105.729 -4.637 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 32 108.183 -4.401 4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 32 108.373 -6.017 4.133 1.00 0.00 H new ATOM 0 HE ARG A 32 107.095 -5.119 2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 32 108.990 -3.035 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 32 109.377 -1.885 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 32 107.617 -3.647 0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 32 108.605 -2.230 0.829 1.00 0.00 H new ATOM 787 N ASN A 33 105.074 -9.024 6.538 1.00 0.00 N ATOM 788 CA ASN A 33 105.376 -10.372 6.972 1.00 0.00 C ATOM 789 C ASN A 33 106.788 -10.703 6.528 1.00 0.00 C ATOM 790 O ASN A 33 107.116 -10.554 5.349 1.00 0.00 O ATOM 791 CB ASN A 33 104.394 -11.381 6.364 1.00 0.00 C ATOM 792 CG ASN A 33 102.943 -11.095 6.712 1.00 0.00 C ATOM 793 OD1 ASN A 33 102.042 -11.357 5.913 1.00 0.00 O ATOM 794 ND2 ASN A 33 102.701 -10.567 7.901 1.00 0.00 N ATOM 0 H ASN A 33 104.645 -8.966 5.614 1.00 0.00 H new ATOM 0 HA ASN A 33 105.286 -10.432 8.057 1.00 0.00 H new ATOM 0 HB2 ASN A 33 104.507 -11.379 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 33 104.652 -12.382 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 33 101.742 -10.363 8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 33 103.473 -10.364 8.536 1.00 0.00 H new ATOM 801 N PRO A 34 107.648 -11.142 7.455 1.00 0.00 N ATOM 802 CA PRO A 34 109.053 -11.454 7.154 1.00 0.00 C ATOM 803 C PRO A 34 109.197 -12.478 6.032 1.00 0.00 C ATOM 804 O PRO A 34 110.255 -12.592 5.411 1.00 0.00 O ATOM 805 CB PRO A 34 109.581 -12.025 8.470 1.00 0.00 C ATOM 806 CG PRO A 34 108.683 -11.464 9.516 1.00 0.00 C ATOM 807 CD PRO A 34 107.328 -11.358 8.876 1.00 0.00 C ATOM 0 HA PRO A 34 109.597 -10.576 6.806 1.00 0.00 H new ATOM 0 HB2 PRO A 34 109.553 -13.115 8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 34 110.617 -11.733 8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 34 108.652 -12.111 10.393 1.00 0.00 H new ATOM 0 HG3 PRO A 34 109.035 -10.488 9.852 1.00 0.00 H new ATOM 0 HD2 PRO A 34 106.740 -12.264 9.024 1.00 0.00 H new ATOM 0 HD3 PRO A 34 106.750 -10.532 9.290 1.00 0.00 H new ATOM 815 N ASP A 35 108.118 -13.206 5.775 1.00 0.00 N ATOM 816 CA ASP A 35 108.094 -14.222 4.733 1.00 0.00 C ATOM 817 C ASP A 35 108.106 -13.597 3.343 1.00 0.00 C ATOM 818 O ASP A 35 108.614 -14.200 2.397 1.00 0.00 O ATOM 819 CB ASP A 35 106.865 -15.118 4.892 1.00 0.00 C ATOM 820 CG ASP A 35 106.846 -15.839 6.223 1.00 0.00 C ATOM 821 OD1 ASP A 35 107.499 -16.895 6.343 1.00 0.00 O ATOM 822 OD2 ASP A 35 106.181 -15.351 7.159 1.00 0.00 O ATOM 0 H ASP A 35 107.238 -13.109 6.282 1.00 0.00 H new ATOM 0 HA ASP A 35 108.995 -14.826 4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 35 105.963 -14.514 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 35 106.845 -15.850 4.085 1.00 0.00 H new ATOM 827 N GLY A 36 107.557 -12.390 3.210 1.00 0.00 N ATOM 828 CA GLY A 36 107.575 -11.724 1.920 1.00 0.00 C ATOM 829 C GLY A 36 106.356 -10.855 1.645 1.00 0.00 C ATOM 830 O GLY A 36 106.444 -9.899 0.875 1.00 0.00 O ATOM 0 H GLY A 36 107.106 -11.869 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 36 108.470 -11.105 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 36 107.653 -12.478 1.136 1.00 0.00 H new ATOM 834 N SER A 37 105.223 -11.167 2.261 1.00 0.00 N ATOM 835 CA SER A 37 103.983 -10.451 1.967 1.00 0.00 C ATOM 836 C SER A 37 103.818 -9.214 2.852 1.00 0.00 C ATOM 837 O SER A 37 104.387 -9.135 3.940 1.00 0.00 O ATOM 838 CB SER A 37 102.790 -11.394 2.132 1.00 0.00 C ATOM 839 OG SER A 37 102.911 -12.167 3.318 1.00 0.00 O ATOM 0 H SER A 37 105.134 -11.903 2.961 1.00 0.00 H new ATOM 0 HA SER A 37 104.029 -10.105 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 37 101.867 -10.816 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 37 102.723 -12.055 1.268 1.00 0.00 H new ATOM 0 HG SER A 37 102.540 -11.666 4.074 1.00 0.00 H new ATOM 845 N ILE A 38 103.043 -8.250 2.372 1.00 0.00 N ATOM 846 CA ILE A 38 102.760 -7.036 3.131 1.00 0.00 C ATOM 847 C ILE A 38 101.609 -7.280 4.106 1.00 0.00 C ATOM 848 O ILE A 38 100.670 -8.016 3.804 1.00 0.00 O ATOM 849 CB ILE A 38 102.403 -5.857 2.192 1.00 0.00 C ATOM 850 CG1 ILE A 38 103.521 -5.635 1.171 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.161 -4.582 2.991 1.00 0.00 C ATOM 852 CD1 ILE A 38 103.218 -4.554 0.154 1.00 0.00 C ATOM 0 H ILE A 38 102.596 -8.285 1.456 1.00 0.00 H new ATOM 0 HA ILE A 38 103.660 -6.774 3.687 1.00 0.00 H new ATOM 0 HB ILE A 38 101.485 -6.109 1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 38 104.437 -5.375 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 38 103.711 -6.571 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 38 101.912 -3.768 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.336 -4.739 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.062 -4.326 3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 38 104.058 -4.456 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 38 102.320 -4.821 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 38 103.058 -3.606 0.667 1.00 0.00 H new ATOM 864 N ASP A 39 101.702 -6.679 5.283 1.00 0.00 N ATOM 865 CA ASP A 39 100.662 -6.809 6.296 1.00 0.00 C ATOM 866 C ASP A 39 99.674 -5.659 6.189 1.00 0.00 C ATOM 867 O ASP A 39 100.070 -4.496 6.097 1.00 0.00 O ATOM 868 CB ASP A 39 101.277 -6.848 7.697 1.00 0.00 C ATOM 869 CG ASP A 39 100.252 -6.624 8.792 1.00 0.00 C ATOM 870 OD1 ASP A 39 99.441 -7.537 9.053 1.00 0.00 O ATOM 871 OD2 ASP A 39 100.253 -5.529 9.390 1.00 0.00 O ATOM 0 H ASP A 39 102.490 -6.094 5.562 1.00 0.00 H new ATOM 0 HA ASP A 39 100.131 -7.745 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.761 -7.812 7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 39 102.053 -6.086 7.770 1.00 0.00 H new ATOM 876 N TYR A 40 98.391 -5.987 6.189 1.00 0.00 N ATOM 877 CA TYR A 40 97.348 -4.983 6.064 1.00 0.00 C ATOM 878 C TYR A 40 96.359 -5.078 7.216 1.00 0.00 C ATOM 879 O TYR A 40 95.515 -5.973 7.253 1.00 0.00 O ATOM 880 CB TYR A 40 96.603 -5.138 4.734 1.00 0.00 C ATOM 881 CG TYR A 40 97.459 -4.875 3.517 1.00 0.00 C ATOM 882 CD1 TYR A 40 97.787 -3.579 3.148 1.00 0.00 C ATOM 883 CD2 TYR A 40 97.930 -5.921 2.734 1.00 0.00 C ATOM 884 CE1 TYR A 40 98.565 -3.331 2.035 1.00 0.00 C ATOM 885 CE2 TYR A 40 98.709 -5.681 1.618 1.00 0.00 C ATOM 886 CZ TYR A 40 99.023 -4.383 1.275 1.00 0.00 C ATOM 887 OH TYR A 40 99.796 -4.137 0.167 1.00 0.00 O ATOM 0 H TYR A 40 98.047 -6.944 6.274 1.00 0.00 H new ATOM 0 HA TYR A 40 97.827 -4.004 6.092 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.200 -6.149 4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 40 95.754 -4.455 4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 40 97.428 -2.751 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.684 -6.938 3.001 1.00 0.00 H new ATOM 0 HE1 TYR A 40 98.813 -2.316 1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.069 -6.504 1.019 1.00 0.00 H new ATOM 0 HH TYR A 40 99.545 -4.755 -0.551 1.00 0.00 H new ATOM 897 N ARG A 41 96.476 -4.165 8.163 1.00 0.00 N ATOM 898 CA ARG A 41 95.530 -4.084 9.260 1.00 0.00 C ATOM 899 C ARG A 41 94.584 -2.911 9.048 1.00 0.00 C ATOM 900 O ARG A 41 94.961 -1.752 9.212 1.00 0.00 O ATOM 901 CB ARG A 41 96.264 -3.953 10.594 1.00 0.00 C ATOM 902 CG ARG A 41 96.668 -5.288 11.200 1.00 0.00 C ATOM 903 CD ARG A 41 97.765 -5.120 12.236 1.00 0.00 C ATOM 904 NE ARG A 41 99.047 -4.822 11.605 1.00 0.00 N ATOM 905 CZ ARG A 41 100.005 -4.071 12.140 1.00 0.00 C ATOM 906 NH1 ARG A 41 99.844 -3.515 13.336 1.00 0.00 N ATOM 907 NH2 ARG A 41 101.131 -3.884 11.465 1.00 0.00 N ATOM 0 H ARG A 41 97.219 -3.467 8.194 1.00 0.00 H new ATOM 0 HA ARG A 41 94.944 -5.003 9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 41 97.156 -3.344 10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.626 -3.421 11.300 1.00 0.00 H new ATOM 0 HG2 ARG A 41 95.799 -5.757 11.662 1.00 0.00 H new ATOM 0 HG3 ARG A 41 97.010 -5.958 10.411 1.00 0.00 H new ATOM 0 HD2 ARG A 41 97.500 -4.317 12.923 1.00 0.00 H new ATOM 0 HD3 ARG A 41 97.852 -6.031 12.829 1.00 0.00 H new ATOM 0 HE ARG A 41 99.221 -5.221 10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 41 98.978 -3.662 13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 41 100.586 -2.941 13.736 1.00 0.00 H new ATOM 0 HH21 ARG A 41 101.253 -4.314 10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 41 101.875 -3.310 11.863 1.00 0.00 H new ATOM 921 N MET A 42 93.361 -3.223 8.655 1.00 0.00 N ATOM 922 CA MET A 42 92.355 -2.207 8.400 1.00 0.00 C ATOM 923 C MET A 42 91.298 -2.250 9.493 1.00 0.00 C ATOM 924 O MET A 42 90.517 -3.198 9.568 1.00 0.00 O ATOM 925 CB MET A 42 91.704 -2.429 7.030 1.00 0.00 C ATOM 926 CG MET A 42 92.691 -2.465 5.877 1.00 0.00 C ATOM 927 SD MET A 42 91.888 -2.794 4.297 1.00 0.00 S ATOM 928 CE MET A 42 90.661 -1.489 4.261 1.00 0.00 C ATOM 0 H MET A 42 93.039 -4.179 8.505 1.00 0.00 H new ATOM 0 HA MET A 42 92.834 -1.228 8.400 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.150 -3.367 7.050 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.979 -1.635 6.850 1.00 0.00 H new ATOM 0 HG2 MET A 42 93.217 -1.512 5.823 1.00 0.00 H new ATOM 0 HG3 MET A 42 93.441 -3.233 6.068 1.00 0.00 H new ATOM 0 HE1 MET A 42 89.667 -1.927 4.169 1.00 0.00 H new ATOM 0 HE2 MET A 42 90.718 -0.910 5.183 1.00 0.00 H new ATOM 0 HE3 MET A 42 90.850 -0.835 3.410 1.00 0.00 H new ATOM 938 N GLY A 43 91.287 -1.241 10.345 1.00 0.00 N ATOM 939 CA GLY A 43 90.354 -1.226 11.451 1.00 0.00 C ATOM 940 C GLY A 43 89.853 0.166 11.756 1.00 0.00 C ATOM 941 O GLY A 43 90.377 1.147 11.234 1.00 0.00 O ATOM 0 H GLY A 43 91.906 -0.432 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.507 -1.872 11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 43 90.837 -1.639 12.337 1.00 0.00 H new ATOM 945 N PHE A 44 88.842 0.257 12.600 1.00 0.00 N ATOM 946 CA PHE A 44 88.272 1.542 12.970 1.00 0.00 C ATOM 947 C PHE A 44 88.962 2.078 14.215 1.00 0.00 C ATOM 948 O PHE A 44 89.037 1.394 15.238 1.00 0.00 O ATOM 949 CB PHE A 44 86.767 1.409 13.195 1.00 0.00 C ATOM 950 CG PHE A 44 85.998 1.108 11.938 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.849 -0.197 11.495 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.427 2.131 11.200 1.00 0.00 C ATOM 953 CE1 PHE A 44 85.143 -0.475 10.339 1.00 0.00 C ATOM 954 CE2 PHE A 44 84.720 1.860 10.044 1.00 0.00 C ATOM 955 CZ PHE A 44 84.578 0.555 9.613 1.00 0.00 C ATOM 0 H PHE A 44 88.396 -0.546 13.044 1.00 0.00 H new ATOM 0 HA PHE A 44 88.432 2.250 12.156 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.585 0.617 13.922 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.389 2.334 13.630 1.00 0.00 H new ATOM 0 HD1 PHE A 44 86.289 -1.006 12.059 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.535 3.153 11.532 1.00 0.00 H new ATOM 0 HE1 PHE A 44 85.034 -1.496 10.004 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.279 2.667 9.478 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.026 0.341 8.710 1.00 0.00 H new ATOM 965 N ASP A 45 89.463 3.300 14.127 1.00 0.00 N ATOM 966 CA ASP A 45 90.275 3.866 15.194 1.00 0.00 C ATOM 967 C ASP A 45 90.023 5.373 15.316 1.00 0.00 C ATOM 968 O ASP A 45 89.055 5.894 14.758 1.00 0.00 O ATOM 969 CB ASP A 45 91.761 3.577 14.915 1.00 0.00 C ATOM 970 CG ASP A 45 92.639 3.689 16.149 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.765 2.693 16.889 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.204 4.776 16.384 1.00 0.00 O ATOM 0 H ASP A 45 89.322 3.919 13.329 1.00 0.00 H new ATOM 0 HA ASP A 45 89.999 3.404 16.142 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.857 2.574 14.500 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.122 4.272 14.157 1.00 0.00 H new ATOM 977 N ASP A 46 90.894 6.050 16.048 1.00 0.00 N ATOM 978 CA ASP A 46 90.772 7.480 16.314 1.00 0.00 C ATOM 979 C ASP A 46 91.114 8.301 15.073 1.00 0.00 C ATOM 980 O ASP A 46 91.981 7.920 14.284 1.00 0.00 O ATOM 981 CB ASP A 46 91.712 7.852 17.470 1.00 0.00 C ATOM 982 CG ASP A 46 91.757 9.341 17.764 1.00 0.00 C ATOM 983 OD1 ASP A 46 90.893 9.827 18.527 1.00 0.00 O ATOM 984 OD2 ASP A 46 92.677 10.023 17.261 1.00 0.00 O ATOM 0 H ASP A 46 91.713 5.621 16.479 1.00 0.00 H new ATOM 0 HA ASP A 46 89.740 7.704 16.586 1.00 0.00 H new ATOM 0 HB2 ASP A 46 91.396 7.322 18.369 1.00 0.00 H new ATOM 0 HB3 ASP A 46 92.718 7.506 17.234 1.00 0.00 H new ATOM 989 N LEU A 47 90.421 9.415 14.893 1.00 0.00 N ATOM 990 CA LEU A 47 90.717 10.324 13.799 1.00 0.00 C ATOM 991 C LEU A 47 91.836 11.266 14.226 1.00 0.00 C ATOM 992 O LEU A 47 91.595 12.298 14.854 1.00 0.00 O ATOM 993 CB LEU A 47 89.463 11.115 13.394 1.00 0.00 C ATOM 994 CG LEU A 47 89.484 11.766 11.999 1.00 0.00 C ATOM 995 CD1 LEU A 47 88.101 12.279 11.646 1.00 0.00 C ATOM 996 CD2 LEU A 47 90.488 12.909 11.923 1.00 0.00 C ATOM 0 H LEU A 47 89.650 9.710 15.491 1.00 0.00 H new ATOM 0 HA LEU A 47 91.039 9.751 12.930 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.605 10.445 13.445 1.00 0.00 H new ATOM 0 HB3 LEU A 47 89.300 11.898 14.134 1.00 0.00 H new ATOM 0 HG LEU A 47 89.790 11.002 11.284 1.00 0.00 H new ATOM 0 HD11 LEU A 47 88.125 12.738 10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 47 87.395 11.449 11.644 1.00 0.00 H new ATOM 0 HD13 LEU A 47 87.789 13.019 12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 47 90.472 13.341 10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 47 90.224 13.674 12.653 1.00 0.00 H new ATOM 0 HD23 LEU A 47 91.487 12.531 12.139 1.00 0.00 H new ATOM 1008 N THR A 48 93.060 10.880 13.918 1.00 0.00 N ATOM 1009 CA THR A 48 94.217 11.687 14.247 1.00 0.00 C ATOM 1010 C THR A 48 94.459 12.735 13.162 1.00 0.00 C ATOM 1011 O THR A 48 94.540 12.406 11.980 1.00 0.00 O ATOM 1012 CB THR A 48 95.461 10.796 14.414 1.00 0.00 C ATOM 1013 OG1 THR A 48 95.162 9.729 15.328 1.00 0.00 O ATOM 1014 CG2 THR A 48 96.646 11.596 14.933 1.00 0.00 C ATOM 0 H THR A 48 93.278 10.007 13.438 1.00 0.00 H new ATOM 0 HA THR A 48 94.026 12.199 15.190 1.00 0.00 H new ATOM 0 HB THR A 48 95.727 10.390 13.438 1.00 0.00 H new ATOM 0 HG1 THR A 48 94.372 9.964 15.858 1.00 0.00 H new ATOM 0 HG21 THR A 48 97.509 10.939 15.041 1.00 0.00 H new ATOM 0 HG22 THR A 48 96.883 12.394 14.229 1.00 0.00 H new ATOM 0 HG23 THR A 48 96.397 12.029 15.902 1.00 0.00 H new ATOM 1022 N GLU A 49 94.567 13.997 13.572 1.00 0.00 N ATOM 1023 CA GLU A 49 94.727 15.103 12.629 1.00 0.00 C ATOM 1024 C GLU A 49 96.093 15.069 11.952 1.00 0.00 C ATOM 1025 O GLU A 49 96.269 15.612 10.859 1.00 0.00 O ATOM 1026 CB GLU A 49 94.548 16.444 13.337 1.00 0.00 C ATOM 1027 CG GLU A 49 93.178 16.639 13.957 1.00 0.00 C ATOM 1028 CD GLU A 49 93.043 17.996 14.610 1.00 0.00 C ATOM 1029 OE1 GLU A 49 93.678 18.215 15.662 1.00 0.00 O ATOM 1030 OE2 GLU A 49 92.322 18.858 14.063 1.00 0.00 O ATOM 0 H GLU A 49 94.547 14.280 14.552 1.00 0.00 H new ATOM 0 HA GLU A 49 93.958 14.989 11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 49 95.304 16.535 14.117 1.00 0.00 H new ATOM 0 HB3 GLU A 49 94.729 17.247 12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 49 92.413 16.528 13.189 1.00 0.00 H new ATOM 0 HG3 GLU A 49 93.001 15.860 14.698 1.00 0.00 H new ATOM 1037 N ASP A 50 97.059 14.439 12.603 1.00 0.00 N ATOM 1038 CA ASP A 50 98.404 14.333 12.047 1.00 0.00 C ATOM 1039 C ASP A 50 98.429 13.328 10.898 1.00 0.00 C ATOM 1040 O ASP A 50 99.236 13.439 9.973 1.00 0.00 O ATOM 1041 CB ASP A 50 99.394 13.923 13.136 1.00 0.00 C ATOM 1042 CG ASP A 50 100.821 13.856 12.632 1.00 0.00 C ATOM 1043 OD1 ASP A 50 101.350 14.898 12.194 1.00 0.00 O ATOM 1044 OD2 ASP A 50 101.427 12.765 12.696 1.00 0.00 O ATOM 0 H ASP A 50 96.940 13.994 13.513 1.00 0.00 H new ATOM 0 HA ASP A 50 98.698 15.308 11.658 1.00 0.00 H new ATOM 0 HB2 ASP A 50 99.337 14.634 13.960 1.00 0.00 H new ATOM 0 HB3 ASP A 50 99.107 12.950 13.534 1.00 0.00 H new ATOM 1049 N ASP A 51 97.519 12.364 10.960 1.00 0.00 N ATOM 1050 CA ASP A 51 97.376 11.366 9.906 1.00 0.00 C ATOM 1051 C ASP A 51 96.748 11.998 8.673 1.00 0.00 C ATOM 1052 O ASP A 51 96.045 13.009 8.771 1.00 0.00 O ATOM 1053 CB ASP A 51 96.503 10.196 10.378 1.00 0.00 C ATOM 1054 CG ASP A 51 97.197 9.296 11.383 1.00 0.00 C ATOM 1055 OD1 ASP A 51 97.834 9.817 12.322 1.00 0.00 O ATOM 1056 OD2 ASP A 51 97.102 8.058 11.242 1.00 0.00 O ATOM 0 H ASP A 51 96.865 12.252 11.734 1.00 0.00 H new ATOM 0 HA ASP A 51 98.368 10.988 9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.590 10.590 10.824 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.205 9.602 9.514 1.00 0.00 H new ATOM 1061 N ILE A 52 97.004 11.412 7.515 1.00 0.00 N ATOM 1062 CA ILE A 52 96.426 11.900 6.272 1.00 0.00 C ATOM 1063 C ILE A 52 94.957 11.506 6.192 1.00 0.00 C ATOM 1064 O ILE A 52 94.612 10.329 6.320 1.00 0.00 O ATOM 1065 CB ILE A 52 97.183 11.356 5.041 1.00 0.00 C ATOM 1066 CG1 ILE A 52 98.646 11.808 5.083 1.00 0.00 C ATOM 1067 CG2 ILE A 52 96.516 11.821 3.752 1.00 0.00 C ATOM 1068 CD1 ILE A 52 99.472 11.325 3.909 1.00 0.00 C ATOM 0 H ILE A 52 97.608 10.597 7.409 1.00 0.00 H new ATOM 0 HA ILE A 52 96.514 12.986 6.267 1.00 0.00 H new ATOM 0 HB ILE A 52 97.152 10.267 5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 52 98.679 12.897 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.100 11.449 6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.064 11.427 2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 52 95.488 11.458 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 52 96.518 12.910 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 52 100.495 11.686 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 52 99.472 10.235 3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.044 11.706 2.982 1.00 0.00 H new ATOM 1080 N ARG A 53 94.100 12.496 5.993 1.00 0.00 N ATOM 1081 CA ARG A 53 92.665 12.275 5.954 1.00 0.00 C ATOM 1082 C ARG A 53 92.224 11.971 4.526 1.00 0.00 C ATOM 1083 O ARG A 53 92.137 12.866 3.684 1.00 0.00 O ATOM 1084 CB ARG A 53 91.945 13.509 6.495 1.00 0.00 C ATOM 1085 CG ARG A 53 90.494 13.275 6.877 1.00 0.00 C ATOM 1086 CD ARG A 53 89.911 14.517 7.527 1.00 0.00 C ATOM 1087 NE ARG A 53 88.581 14.291 8.082 1.00 0.00 N ATOM 1088 CZ ARG A 53 88.089 14.969 9.115 1.00 0.00 C ATOM 1089 NH1 ARG A 53 88.831 15.881 9.736 1.00 0.00 N ATOM 1090 NH2 ARG A 53 86.862 14.714 9.546 1.00 0.00 N ATOM 0 H ARG A 53 94.378 13.468 5.855 1.00 0.00 H new ATOM 0 HA ARG A 53 92.409 11.419 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.483 13.874 7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.987 14.297 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 53 89.915 13.015 5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 53 90.423 12.431 7.563 1.00 0.00 H new ATOM 0 HD2 ARG A 53 90.578 14.854 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 53 89.861 15.318 6.790 1.00 0.00 H new ATOM 0 HE ARG A 53 87.996 13.573 7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 53 89.784 16.064 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 53 88.448 16.397 10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 53 86.298 14.000 9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 53 86.482 15.232 10.338 1.00 0.00 H new ATOM 1104 N LEU A 54 91.960 10.704 4.261 1.00 0.00 N ATOM 1105 CA LEU A 54 91.626 10.248 2.924 1.00 0.00 C ATOM 1106 C LEU A 54 90.139 9.935 2.806 1.00 0.00 C ATOM 1107 O LEU A 54 89.664 8.930 3.331 1.00 0.00 O ATOM 1108 CB LEU A 54 92.452 9.003 2.577 1.00 0.00 C ATOM 1109 CG LEU A 54 92.212 8.421 1.182 1.00 0.00 C ATOM 1110 CD1 LEU A 54 92.647 9.406 0.109 1.00 0.00 C ATOM 1111 CD2 LEU A 54 92.948 7.098 1.025 1.00 0.00 C ATOM 0 H LEU A 54 91.971 9.965 4.964 1.00 0.00 H new ATOM 0 HA LEU A 54 91.861 11.048 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 54 93.509 9.252 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.240 8.230 3.316 1.00 0.00 H new ATOM 0 HG LEU A 54 91.144 8.238 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 54 92.468 8.974 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 54 92.076 10.329 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.709 9.623 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.767 6.697 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.017 7.258 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.587 6.390 1.771 1.00 0.00 H new ATOM 1123 N THR A 55 89.405 10.801 2.131 1.00 0.00 N ATOM 1124 CA THR A 55 87.996 10.556 1.877 1.00 0.00 C ATOM 1125 C THR A 55 87.829 9.799 0.561 1.00 0.00 C ATOM 1126 O THR A 55 87.793 10.398 -0.514 1.00 0.00 O ATOM 1127 CB THR A 55 87.200 11.873 1.821 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.548 12.698 2.942 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.701 11.606 1.836 1.00 0.00 C ATOM 0 H THR A 55 89.759 11.678 1.750 1.00 0.00 H new ATOM 0 HA THR A 55 87.605 9.956 2.699 1.00 0.00 H new ATOM 0 HB THR A 55 87.453 12.384 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.041 13.536 2.902 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.162 12.553 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.431 10.998 0.973 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.435 11.076 2.751 1.00 0.00 H new ATOM 1137 N SER A 56 87.753 8.480 0.649 1.00 0.00 N ATOM 1138 CA SER A 56 87.675 7.648 -0.537 1.00 0.00 C ATOM 1139 C SER A 56 86.219 7.408 -0.925 1.00 0.00 C ATOM 1140 O SER A 56 85.602 6.432 -0.487 1.00 0.00 O ATOM 1141 CB SER A 56 88.403 6.318 -0.307 1.00 0.00 C ATOM 1142 OG SER A 56 88.560 5.598 -1.518 1.00 0.00 O ATOM 0 H SER A 56 87.744 7.965 1.529 1.00 0.00 H new ATOM 0 HA SER A 56 88.166 8.168 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 56 89.381 6.509 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 56 87.843 5.714 0.407 1.00 0.00 H new ATOM 0 HG SER A 56 89.279 4.940 -1.417 1.00 0.00 H new ATOM 1148 N GLU A 57 85.673 8.349 -1.703 1.00 0.00 N ATOM 1149 CA GLU A 57 84.312 8.279 -2.248 1.00 0.00 C ATOM 1150 C GLU A 57 83.261 8.475 -1.155 1.00 0.00 C ATOM 1151 O GLU A 57 82.425 9.377 -1.232 1.00 0.00 O ATOM 1152 CB GLU A 57 84.082 6.949 -2.983 1.00 0.00 C ATOM 1153 CG GLU A 57 82.789 6.909 -3.785 1.00 0.00 C ATOM 1154 CD GLU A 57 82.580 5.588 -4.501 1.00 0.00 C ATOM 1155 OE1 GLU A 57 83.290 5.325 -5.497 1.00 0.00 O ATOM 1156 OE2 GLU A 57 81.690 4.817 -4.084 1.00 0.00 O ATOM 0 H GLU A 57 86.173 9.195 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 57 84.206 9.093 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 57 84.921 6.765 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 57 84.073 6.138 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 57 81.947 7.092 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 57 82.796 7.716 -4.517 1.00 0.00 H new ATOM 1163 N GLY A 58 83.327 7.636 -0.142 1.00 0.00 N ATOM 1164 CA GLY A 58 82.384 7.698 0.955 1.00 0.00 C ATOM 1165 C GLY A 58 83.022 7.364 2.292 1.00 0.00 C ATOM 1166 O GLY A 58 82.584 7.850 3.333 1.00 0.00 O ATOM 0 H GLY A 58 84.028 6.900 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.952 8.698 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.564 7.005 0.764 1.00 0.00 H new ATOM 1170 N VAL A 59 84.061 6.536 2.267 1.00 0.00 N ATOM 1171 CA VAL A 59 84.740 6.125 3.488 1.00 0.00 C ATOM 1172 C VAL A 59 85.837 7.119 3.854 1.00 0.00 C ATOM 1173 O VAL A 59 86.660 7.485 3.013 1.00 0.00 O ATOM 1174 CB VAL A 59 85.359 4.716 3.338 1.00 0.00 C ATOM 1175 CG1 VAL A 59 86.029 4.279 4.634 1.00 0.00 C ATOM 1176 CG2 VAL A 59 84.301 3.708 2.916 1.00 0.00 C ATOM 0 H VAL A 59 84.451 6.137 1.413 1.00 0.00 H new ATOM 0 HA VAL A 59 83.994 6.099 4.282 1.00 0.00 H new ATOM 0 HB VAL A 59 86.121 4.761 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 59 86.457 3.285 4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.819 4.984 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.290 4.254 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.756 2.723 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.514 3.669 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.873 4.009 1.960 1.00 0.00 H new ATOM 1186 N GLU A 60 85.836 7.565 5.103 1.00 0.00 N ATOM 1187 CA GLU A 60 86.873 8.462 5.589 1.00 0.00 C ATOM 1188 C GLU A 60 87.980 7.661 6.268 1.00 0.00 C ATOM 1189 O GLU A 60 87.748 6.969 7.262 1.00 0.00 O ATOM 1190 CB GLU A 60 86.290 9.500 6.549 1.00 0.00 C ATOM 1191 CG GLU A 60 87.318 10.496 7.059 1.00 0.00 C ATOM 1192 CD GLU A 60 86.690 11.651 7.805 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.358 11.489 8.992 1.00 0.00 O ATOM 1194 OE2 GLU A 60 86.529 12.734 7.200 1.00 0.00 O ATOM 0 H GLU A 60 85.129 7.320 5.796 1.00 0.00 H new ATOM 0 HA GLU A 60 87.297 8.995 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.490 10.041 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.841 8.986 7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.020 9.983 7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 60 87.893 10.882 6.217 1.00 0.00 H new ATOM 1201 N ILE A 61 89.172 7.751 5.707 1.00 0.00 N ATOM 1202 CA ILE A 61 90.309 6.978 6.172 1.00 0.00 C ATOM 1203 C ILE A 61 91.391 7.892 6.748 1.00 0.00 C ATOM 1204 O ILE A 61 91.597 8.998 6.258 1.00 0.00 O ATOM 1205 CB ILE A 61 90.906 6.157 5.006 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.839 5.249 4.390 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.096 5.336 5.477 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.313 4.495 3.165 1.00 0.00 C ATOM 0 H ILE A 61 89.379 8.362 4.917 1.00 0.00 H new ATOM 0 HA ILE A 61 89.960 6.305 6.956 1.00 0.00 H new ATOM 0 HB ILE A 61 91.253 6.852 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.507 4.532 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.972 5.853 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.500 4.767 4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.866 6.002 5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.777 4.650 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.503 3.873 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.617 5.205 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 61 91.161 3.864 3.432 1.00 0.00 H new ATOM 1220 N VAL A 62 92.059 7.434 7.796 1.00 0.00 N ATOM 1221 CA VAL A 62 93.205 8.144 8.344 1.00 0.00 C ATOM 1222 C VAL A 62 94.464 7.285 8.223 1.00 0.00 C ATOM 1223 O VAL A 62 94.494 6.132 8.668 1.00 0.00 O ATOM 1224 CB VAL A 62 92.984 8.565 9.818 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.966 9.693 9.899 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.533 7.387 10.669 1.00 0.00 C ATOM 0 H VAL A 62 91.826 6.570 8.286 1.00 0.00 H new ATOM 0 HA VAL A 62 93.330 9.057 7.762 1.00 0.00 H new ATOM 0 HB VAL A 62 93.937 8.918 10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.821 9.978 10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.329 10.552 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.017 9.358 9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.387 7.716 11.698 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.595 6.993 10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 62 93.294 6.607 10.642 1.00 0.00 H new ATOM 1236 N ILE A 63 95.487 7.836 7.583 1.00 0.00 N ATOM 1237 CA ILE A 63 96.717 7.096 7.330 1.00 0.00 C ATOM 1238 C ILE A 63 97.936 7.878 7.813 1.00 0.00 C ATOM 1239 O ILE A 63 98.213 8.976 7.328 1.00 0.00 O ATOM 1240 CB ILE A 63 96.883 6.785 5.824 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.627 6.100 5.278 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.108 5.909 5.596 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.655 5.875 3.783 1.00 0.00 C ATOM 0 H ILE A 63 95.490 8.793 7.229 1.00 0.00 H new ATOM 0 HA ILE A 63 96.646 6.160 7.883 1.00 0.00 H new ATOM 0 HB ILE A 63 97.024 7.724 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.502 5.140 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.756 6.706 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.212 5.699 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 63 98.998 6.428 5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.992 4.972 6.141 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.732 5.386 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.748 6.834 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.505 5.243 3.526 1.00 0.00 H new ATOM 1255 N ALA A 64 98.653 7.313 8.773 1.00 0.00 N ATOM 1256 CA ALA A 64 99.872 7.926 9.282 1.00 0.00 C ATOM 1257 C ALA A 64 101.001 7.822 8.259 1.00 0.00 C ATOM 1258 O ALA A 64 101.038 6.879 7.465 1.00 0.00 O ATOM 1259 CB ALA A 64 100.277 7.271 10.594 1.00 0.00 C ATOM 0 H ALA A 64 98.411 6.427 9.217 1.00 0.00 H new ATOM 0 HA ALA A 64 99.678 8.983 9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 64 101.190 7.736 10.966 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.480 7.399 11.326 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.452 6.208 10.431 1.00 0.00 H new ATOM 1265 N PRO A 65 101.939 8.790 8.269 1.00 0.00 N ATOM 1266 CA PRO A 65 103.056 8.845 7.310 1.00 0.00 C ATOM 1267 C PRO A 65 103.834 7.532 7.212 1.00 0.00 C ATOM 1268 O PRO A 65 104.303 7.158 6.135 1.00 0.00 O ATOM 1269 CB PRO A 65 103.948 9.954 7.870 1.00 0.00 C ATOM 1270 CG PRO A 65 103.020 10.834 8.630 1.00 0.00 C ATOM 1271 CD PRO A 65 101.977 9.925 9.215 1.00 0.00 C ATOM 0 HA PRO A 65 102.701 9.027 6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.727 9.548 8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 65 104.449 10.501 7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.550 11.376 9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 65 102.566 11.580 7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 65 102.245 9.601 10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 65 101.008 10.420 9.288 1.00 0.00 H new ATOM 1279 N ASP A 66 103.953 6.829 8.335 1.00 0.00 N ATOM 1280 CA ASP A 66 104.671 5.554 8.377 1.00 0.00 C ATOM 1281 C ASP A 66 104.006 4.518 7.481 1.00 0.00 C ATOM 1282 O ASP A 66 104.674 3.667 6.897 1.00 0.00 O ATOM 1283 CB ASP A 66 104.739 5.014 9.807 1.00 0.00 C ATOM 1284 CG ASP A 66 105.663 5.819 10.695 1.00 0.00 C ATOM 1285 OD1 ASP A 66 105.252 6.901 11.165 1.00 0.00 O ATOM 1286 OD2 ASP A 66 106.798 5.363 10.944 1.00 0.00 O ATOM 0 H ASP A 66 103.561 7.120 9.231 1.00 0.00 H new ATOM 0 HA ASP A 66 105.682 5.740 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 66 103.738 5.013 10.238 1.00 0.00 H new ATOM 0 HB3 ASP A 66 105.077 3.978 9.783 1.00 0.00 H new ATOM 1291 N TYR A 67 102.688 4.602 7.368 1.00 0.00 N ATOM 1292 CA TYR A 67 101.933 3.635 6.584 1.00 0.00 C ATOM 1293 C TYR A 67 101.888 4.052 5.120 1.00 0.00 C ATOM 1294 O TYR A 67 101.857 3.208 4.229 1.00 0.00 O ATOM 1295 CB TYR A 67 100.506 3.501 7.122 1.00 0.00 C ATOM 1296 CG TYR A 67 100.426 3.239 8.612 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.187 2.243 9.212 1.00 0.00 C ATOM 1298 CD2 TYR A 67 99.584 3.994 9.417 1.00 0.00 C ATOM 1299 CE1 TYR A 67 101.107 2.009 10.574 1.00 0.00 C ATOM 1300 CE2 TYR A 67 99.498 3.765 10.776 1.00 0.00 C ATOM 1301 CZ TYR A 67 100.260 2.772 11.350 1.00 0.00 C ATOM 1302 OH TYR A 67 100.172 2.544 12.704 1.00 0.00 O ATOM 0 H TYR A 67 102.121 5.327 7.808 1.00 0.00 H new ATOM 0 HA TYR A 67 102.435 2.671 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 67 99.957 4.415 6.895 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.006 2.689 6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 67 101.850 1.643 8.607 1.00 0.00 H new ATOM 0 HD2 TYR A 67 98.985 4.775 8.972 1.00 0.00 H new ATOM 0 HE1 TYR A 67 101.705 1.232 11.027 1.00 0.00 H new ATOM 0 HE2 TYR A 67 98.836 4.362 11.386 1.00 0.00 H new ATOM 0 HH TYR A 67 99.530 3.170 13.100 1.00 0.00 H new ATOM 1312 N VAL A 68 101.903 5.363 4.890 1.00 0.00 N ATOM 1313 CA VAL A 68 101.815 5.931 3.543 1.00 0.00 C ATOM 1314 C VAL A 68 102.854 5.327 2.602 1.00 0.00 C ATOM 1315 O VAL A 68 102.537 4.945 1.476 1.00 0.00 O ATOM 1316 CB VAL A 68 101.999 7.465 3.578 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.988 8.057 2.173 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.921 8.108 4.434 1.00 0.00 C ATOM 0 H VAL A 68 101.976 6.062 5.629 1.00 0.00 H new ATOM 0 HA VAL A 68 100.821 5.689 3.166 1.00 0.00 H new ATOM 0 HB VAL A 68 102.972 7.676 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 68 102.120 9.137 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.800 7.624 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 68 101.036 7.833 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 68 101.064 9.188 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.940 7.878 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.984 7.720 5.451 1.00 0.00 H new ATOM 1328 N SER A 69 104.085 5.213 3.083 1.00 0.00 N ATOM 1329 CA SER A 69 105.195 4.746 2.258 1.00 0.00 C ATOM 1330 C SER A 69 105.090 3.249 1.935 1.00 0.00 C ATOM 1331 O SER A 69 105.933 2.706 1.220 1.00 0.00 O ATOM 1332 CB SER A 69 106.516 5.037 2.970 1.00 0.00 C ATOM 1333 OG SER A 69 106.600 6.405 3.338 1.00 0.00 O ATOM 0 H SER A 69 104.342 5.438 4.044 1.00 0.00 H new ATOM 0 HA SER A 69 105.154 5.283 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.601 4.411 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 69 107.350 4.779 2.318 1.00 0.00 H new ATOM 0 HG SER A 69 107.452 6.569 3.794 1.00 0.00 H new ATOM 1339 N LEU A 70 104.061 2.587 2.454 1.00 0.00 N ATOM 1340 CA LEU A 70 103.886 1.154 2.242 1.00 0.00 C ATOM 1341 C LEU A 70 102.460 0.828 1.806 1.00 0.00 C ATOM 1342 O LEU A 70 102.036 -0.322 1.873 1.00 0.00 O ATOM 1343 CB LEU A 70 104.223 0.380 3.522 1.00 0.00 C ATOM 1344 CG LEU A 70 105.681 0.469 3.981 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.869 -0.270 5.297 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.610 -0.097 2.917 1.00 0.00 C ATOM 0 H LEU A 70 103.335 3.020 3.025 1.00 0.00 H new ATOM 0 HA LEU A 70 104.567 0.852 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.584 0.746 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.972 -0.669 3.368 1.00 0.00 H new ATOM 0 HG LEU A 70 105.931 1.519 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.911 -0.197 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.230 0.176 6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 70 105.602 -1.319 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.642 -0.026 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 70 106.360 -1.142 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.494 0.471 1.994 1.00 0.00 H new ATOM 1358 N LEU A 71 101.726 1.837 1.351 1.00 0.00 N ATOM 1359 CA LEU A 71 100.332 1.639 0.966 1.00 0.00 C ATOM 1360 C LEU A 71 100.028 2.234 -0.403 1.00 0.00 C ATOM 1361 O LEU A 71 98.861 2.365 -0.782 1.00 0.00 O ATOM 1362 CB LEU A 71 99.398 2.255 2.011 1.00 0.00 C ATOM 1363 CG LEU A 71 99.256 1.469 3.314 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.439 2.259 4.323 1.00 0.00 C ATOM 1365 CD2 LEU A 71 98.607 0.119 3.049 1.00 0.00 C ATOM 0 H LEU A 71 102.068 2.792 1.240 1.00 0.00 H new ATOM 0 HA LEU A 71 100.164 0.563 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.758 3.256 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 71 98.409 2.369 1.567 1.00 0.00 H new ATOM 0 HG LEU A 71 100.250 1.302 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.347 1.686 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.936 3.206 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.447 2.453 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 71 98.512 -0.429 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.618 0.269 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 71 99.224 -0.452 2.355 1.00 0.00 H new ATOM 1377 N ASP A 72 101.061 2.568 -1.159 1.00 0.00 N ATOM 1378 CA ASP A 72 100.859 3.175 -2.467 1.00 0.00 C ATOM 1379 C ASP A 72 100.550 2.104 -3.508 1.00 0.00 C ATOM 1380 O ASP A 72 101.028 0.971 -3.408 1.00 0.00 O ATOM 1381 CB ASP A 72 102.078 4.005 -2.895 1.00 0.00 C ATOM 1382 CG ASP A 72 103.252 3.162 -3.351 1.00 0.00 C ATOM 1383 OD1 ASP A 72 103.908 2.533 -2.496 1.00 0.00 O ATOM 1384 OD2 ASP A 72 103.533 3.137 -4.572 1.00 0.00 O ATOM 0 H ASP A 72 102.037 2.432 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 72 100.007 3.851 -2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.786 4.675 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.393 4.631 -2.060 1.00 0.00 H new ATOM 1389 N GLN A 73 99.710 2.467 -4.478 1.00 0.00 N ATOM 1390 CA GLN A 73 99.322 1.569 -5.573 1.00 0.00 C ATOM 1391 C GLN A 73 98.500 0.390 -5.059 1.00 0.00 C ATOM 1392 O GLN A 73 98.386 -0.641 -5.727 1.00 0.00 O ATOM 1393 CB GLN A 73 100.555 1.057 -6.327 1.00 0.00 C ATOM 1394 CG GLN A 73 101.399 2.164 -6.927 1.00 0.00 C ATOM 1395 CD GLN A 73 102.665 1.655 -7.581 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.706 0.550 -8.124 1.00 0.00 O ATOM 1397 NE2 GLN A 73 103.717 2.452 -7.510 1.00 0.00 N ATOM 0 H GLN A 73 99.278 3.390 -4.529 1.00 0.00 H new ATOM 0 HA GLN A 73 98.704 2.146 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.171 0.470 -5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.232 0.385 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.807 2.705 -7.666 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.662 2.877 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 73 103.639 3.360 -7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 73 104.607 2.160 -7.914 1.00 0.00 H new ATOM 1406 N THR A 74 97.913 0.550 -3.881 1.00 0.00 N ATOM 1407 CA THR A 74 97.108 -0.500 -3.288 1.00 0.00 C ATOM 1408 C THR A 74 95.674 -0.447 -3.803 1.00 0.00 C ATOM 1409 O THR A 74 94.905 0.452 -3.453 1.00 0.00 O ATOM 1410 CB THR A 74 97.103 -0.402 -1.750 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.450 -0.353 -1.269 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.388 -1.592 -1.127 1.00 0.00 C ATOM 0 H THR A 74 97.981 1.399 -3.319 1.00 0.00 H new ATOM 0 HA THR A 74 97.557 -1.450 -3.578 1.00 0.00 H new ATOM 0 HB THR A 74 96.572 0.507 -1.467 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.558 -0.992 -0.534 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.400 -1.496 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.356 -1.621 -1.477 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.895 -2.513 -1.415 1.00 0.00 H new ATOM 1420 N THR A 75 95.331 -1.392 -4.657 1.00 0.00 N ATOM 1421 CA THR A 75 93.969 -1.529 -5.130 1.00 0.00 C ATOM 1422 C THR A 75 93.205 -2.495 -4.230 1.00 0.00 C ATOM 1423 O THR A 75 93.515 -3.687 -4.172 1.00 0.00 O ATOM 1424 CB THR A 75 93.928 -2.023 -6.589 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.559 -1.061 -7.447 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.499 -2.261 -7.053 1.00 0.00 C ATOM 0 H THR A 75 95.981 -2.079 -5.038 1.00 0.00 H new ATOM 0 HA THR A 75 93.497 -0.547 -5.095 1.00 0.00 H new ATOM 0 HB THR A 75 94.465 -2.970 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.532 -1.381 -8.373 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.505 -2.609 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.031 -3.014 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.935 -1.331 -6.987 1.00 0.00 H new ATOM 1434 N LEU A 76 92.228 -1.963 -3.515 1.00 0.00 N ATOM 1435 CA LEU A 76 91.420 -2.748 -2.604 1.00 0.00 C ATOM 1436 C LEU A 76 90.074 -3.056 -3.237 1.00 0.00 C ATOM 1437 O LEU A 76 89.257 -2.157 -3.447 1.00 0.00 O ATOM 1438 CB LEU A 76 91.210 -1.989 -1.295 1.00 0.00 C ATOM 1439 CG LEU A 76 90.308 -2.689 -0.279 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.965 -3.956 0.239 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.966 -1.750 0.865 1.00 0.00 C ATOM 0 H LEU A 76 91.975 -0.976 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 76 91.941 -3.682 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 76 92.182 -1.813 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.784 -1.012 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 76 89.381 -2.970 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.306 -4.439 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.152 -4.635 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.910 -3.705 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.323 -2.265 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.883 -1.435 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.446 -0.875 0.475 1.00 0.00 H new ATOM 1453 N ASP A 77 89.851 -4.320 -3.549 1.00 0.00 N ATOM 1454 CA ASP A 77 88.604 -4.728 -4.166 1.00 0.00 C ATOM 1455 C ASP A 77 87.905 -5.772 -3.304 1.00 0.00 C ATOM 1456 O ASP A 77 88.551 -6.521 -2.568 1.00 0.00 O ATOM 1457 CB ASP A 77 88.854 -5.266 -5.576 1.00 0.00 C ATOM 1458 CG ASP A 77 87.573 -5.454 -6.369 1.00 0.00 C ATOM 1459 OD1 ASP A 77 86.530 -4.882 -5.979 1.00 0.00 O ATOM 1460 OD2 ASP A 77 87.610 -6.165 -7.395 1.00 0.00 O ATOM 0 H ASP A 77 90.514 -5.078 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 77 87.953 -3.857 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.510 -4.579 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.378 -6.220 -5.509 1.00 0.00 H new ATOM 1465 N TYR A 78 86.589 -5.813 -3.402 1.00 0.00 N ATOM 1466 CA TYR A 78 85.778 -6.697 -2.584 1.00 0.00 C ATOM 1467 C TYR A 78 85.104 -7.739 -3.462 1.00 0.00 C ATOM 1468 O TYR A 78 84.069 -7.477 -4.078 1.00 0.00 O ATOM 1469 CB TYR A 78 84.743 -5.870 -1.819 1.00 0.00 C ATOM 1470 CG TYR A 78 83.858 -6.652 -0.876 1.00 0.00 C ATOM 1471 CD1 TYR A 78 84.394 -7.519 0.065 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.479 -6.492 -0.912 1.00 0.00 C ATOM 1473 CE1 TYR A 78 83.579 -8.206 0.943 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.656 -7.178 -0.040 1.00 0.00 C ATOM 1475 CZ TYR A 78 82.210 -8.032 0.888 1.00 0.00 C ATOM 1476 OH TYR A 78 81.394 -8.708 1.768 1.00 0.00 O ATOM 0 H TYR A 78 86.053 -5.236 -4.050 1.00 0.00 H new ATOM 0 HA TYR A 78 86.409 -7.218 -1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.266 -5.103 -1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 78 84.110 -5.354 -2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 78 85.464 -7.659 0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.042 -5.819 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 78 84.011 -8.877 1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.585 -7.046 -0.086 1.00 0.00 H new ATOM 0 HH TYR A 78 80.459 -8.472 1.595 1.00 0.00 H new ATOM 1486 N VAL A 79 85.718 -8.907 -3.544 1.00 0.00 N ATOM 1487 CA VAL A 79 85.219 -9.981 -4.388 1.00 0.00 C ATOM 1488 C VAL A 79 85.097 -11.266 -3.591 1.00 0.00 C ATOM 1489 O VAL A 79 85.333 -11.279 -2.387 1.00 0.00 O ATOM 1490 CB VAL A 79 86.142 -10.234 -5.599 1.00 0.00 C ATOM 1491 CG1 VAL A 79 86.211 -9.005 -6.491 1.00 0.00 C ATOM 1492 CG2 VAL A 79 87.533 -10.643 -5.144 1.00 0.00 C ATOM 0 H VAL A 79 86.570 -9.137 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 79 84.240 -9.671 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 79 85.719 -11.054 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 79 86.867 -9.206 -7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 79 85.212 -8.763 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 79 86.603 -8.163 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 79 88.165 -10.816 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 79 87.965 -9.849 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 79 87.469 -11.558 -4.555 1.00 0.00 H new ATOM 1502 N GLU A 80 84.732 -12.344 -4.261 1.00 0.00 N ATOM 1503 CA GLU A 80 84.642 -13.634 -3.609 1.00 0.00 C ATOM 1504 C GLU A 80 85.626 -14.623 -4.230 1.00 0.00 C ATOM 1505 O GLU A 80 85.437 -15.092 -5.354 1.00 0.00 O ATOM 1506 CB GLU A 80 83.204 -14.162 -3.656 1.00 0.00 C ATOM 1507 CG GLU A 80 82.598 -14.216 -5.046 1.00 0.00 C ATOM 1508 CD GLU A 80 81.151 -14.647 -5.020 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.869 -15.789 -4.604 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.283 -13.845 -5.418 1.00 0.00 O ATOM 0 H GLU A 80 84.494 -12.350 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 80 84.916 -13.514 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 80 83.184 -15.163 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.578 -13.531 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 80 82.675 -13.234 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 80 83.171 -14.908 -5.664 1.00 0.00 H new ATOM 1517 N LEU A 81 86.700 -14.899 -3.500 1.00 0.00 N ATOM 1518 CA LEU A 81 87.713 -15.854 -3.943 1.00 0.00 C ATOM 1519 C LEU A 81 87.107 -17.245 -4.067 1.00 0.00 C ATOM 1520 O LEU A 81 87.419 -18.000 -4.990 1.00 0.00 O ATOM 1521 CB LEU A 81 88.888 -15.880 -2.962 1.00 0.00 C ATOM 1522 CG LEU A 81 89.609 -14.545 -2.781 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.729 -14.678 -1.762 1.00 0.00 C ATOM 1524 CD2 LEU A 81 90.160 -14.053 -4.109 1.00 0.00 C ATOM 0 H LEU A 81 86.894 -14.473 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 81 88.080 -15.540 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 81 88.523 -16.213 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.610 -16.622 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 81 88.889 -13.814 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.231 -13.718 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.314 -14.988 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.446 -15.424 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.670 -13.101 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.865 -14.785 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.341 -13.920 -4.816 1.00 0.00 H new ATOM 1536 N GLU A 82 86.243 -17.572 -3.123 1.00 0.00 N ATOM 1537 CA GLU A 82 85.473 -18.802 -3.174 1.00 0.00 C ATOM 1538 C GLU A 82 83.999 -18.453 -3.316 1.00 0.00 C ATOM 1539 O GLU A 82 83.552 -17.444 -2.771 1.00 0.00 O ATOM 1540 CB GLU A 82 85.709 -19.641 -1.911 1.00 0.00 C ATOM 1541 CG GLU A 82 87.145 -20.121 -1.761 1.00 0.00 C ATOM 1542 CD GLU A 82 87.362 -20.965 -0.521 1.00 0.00 C ATOM 1543 OE1 GLU A 82 86.924 -22.133 -0.505 1.00 0.00 O ATOM 1544 OE2 GLU A 82 87.988 -20.472 0.442 1.00 0.00 O ATOM 0 H GLU A 82 86.056 -16.995 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 82 85.792 -19.395 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.439 -19.050 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.045 -20.505 -1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.422 -20.701 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.809 -19.257 -1.726 1.00 0.00 H new ATOM 1551 N PRO A 83 83.232 -19.255 -4.072 1.00 0.00 N ATOM 1552 CA PRO A 83 81.803 -19.006 -4.284 1.00 0.00 C ATOM 1553 C PRO A 83 81.032 -18.917 -2.968 1.00 0.00 C ATOM 1554 O PRO A 83 80.808 -19.926 -2.293 1.00 0.00 O ATOM 1555 CB PRO A 83 81.332 -20.212 -5.111 1.00 0.00 C ATOM 1556 CG PRO A 83 82.419 -21.227 -4.992 1.00 0.00 C ATOM 1557 CD PRO A 83 83.689 -20.457 -4.781 1.00 0.00 C ATOM 0 HA PRO A 83 81.629 -18.052 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 83 80.387 -20.603 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 83 81.167 -19.934 -6.152 1.00 0.00 H new ATOM 0 HG2 PRO A 83 82.231 -21.903 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 83 82.480 -21.839 -5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 83 84.411 -21.023 -4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 83 84.172 -20.209 -5.726 1.00 0.00 H new ATOM 1565 N GLY A 84 80.648 -17.701 -2.603 1.00 0.00 N ATOM 1566 CA GLY A 84 79.929 -17.484 -1.362 1.00 0.00 C ATOM 1567 C GLY A 84 80.813 -16.916 -0.264 1.00 0.00 C ATOM 1568 O GLY A 84 80.353 -16.696 0.860 1.00 0.00 O ATOM 0 H GLY A 84 80.823 -16.856 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 84 79.098 -16.802 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 84 79.500 -18.428 -1.026 1.00 0.00 H new ATOM 1572 N GLN A 85 82.080 -16.676 -0.581 1.00 0.00 N ATOM 1573 CA GLN A 85 83.025 -16.128 0.385 1.00 0.00 C ATOM 1574 C GLN A 85 83.569 -14.786 -0.088 1.00 0.00 C ATOM 1575 O GLN A 85 84.495 -14.734 -0.897 1.00 0.00 O ATOM 1576 CB GLN A 85 84.193 -17.090 0.605 1.00 0.00 C ATOM 1577 CG GLN A 85 85.240 -16.554 1.568 1.00 0.00 C ATOM 1578 CD GLN A 85 86.634 -17.035 1.231 1.00 0.00 C ATOM 1579 OE1 GLN A 85 87.359 -16.391 0.473 1.00 0.00 O ATOM 1580 NE2 GLN A 85 87.020 -18.168 1.787 1.00 0.00 N ATOM 0 H GLN A 85 82.478 -16.853 -1.503 1.00 0.00 H new ATOM 0 HA GLN A 85 82.489 -15.988 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 85 83.809 -18.036 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 85 84.666 -17.302 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 85 85.221 -15.464 1.551 1.00 0.00 H new ATOM 0 HG3 GLN A 85 84.988 -16.862 2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 85 86.388 -18.672 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 85 87.950 -18.540 1.594 1.00 0.00 H new ATOM 1589 N PHE A 86 82.994 -13.707 0.415 1.00 0.00 N ATOM 1590 CA PHE A 86 83.448 -12.372 0.058 1.00 0.00 C ATOM 1591 C PHE A 86 84.648 -11.974 0.910 1.00 0.00 C ATOM 1592 O PHE A 86 84.640 -12.137 2.131 1.00 0.00 O ATOM 1593 CB PHE A 86 82.317 -11.359 0.216 1.00 0.00 C ATOM 1594 CG PHE A 86 81.238 -11.494 -0.819 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.347 -10.840 -2.036 1.00 0.00 C ATOM 1596 CD2 PHE A 86 80.117 -12.269 -0.576 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.357 -10.958 -2.992 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.124 -12.391 -1.529 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.245 -11.734 -2.738 1.00 0.00 C ATOM 0 H PHE A 86 82.213 -13.728 1.071 1.00 0.00 H new ATOM 0 HA PHE A 86 83.754 -12.380 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 86 81.875 -11.472 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 86 82.733 -10.353 0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.216 -10.231 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 86 80.018 -12.784 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.453 -10.444 -3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 86 78.254 -12.999 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.470 -11.828 -3.484 1.00 0.00 H new ATOM 1609 N HIS A 87 85.682 -11.459 0.260 1.00 0.00 N ATOM 1610 CA HIS A 87 86.930 -11.144 0.930 1.00 0.00 C ATOM 1611 C HIS A 87 87.640 -9.985 0.224 1.00 0.00 C ATOM 1612 O HIS A 87 87.532 -9.831 -0.992 1.00 0.00 O ATOM 1613 CB HIS A 87 87.803 -12.407 0.944 1.00 0.00 C ATOM 1614 CG HIS A 87 89.168 -12.222 1.522 1.00 0.00 C ATOM 1615 ND1 HIS A 87 89.411 -12.111 2.871 1.00 0.00 N ATOM 1616 CD2 HIS A 87 90.368 -12.139 0.914 1.00 0.00 C ATOM 1617 CE1 HIS A 87 90.707 -11.967 3.071 1.00 0.00 C ATOM 1618 NE2 HIS A 87 91.314 -11.981 1.898 1.00 0.00 N ATOM 0 H HIS A 87 85.678 -11.250 -0.738 1.00 0.00 H new ATOM 0 HA HIS A 87 86.737 -10.827 1.955 1.00 0.00 H new ATOM 0 HB2 HIS A 87 87.286 -13.182 1.511 1.00 0.00 H new ATOM 0 HB3 HIS A 87 87.904 -12.773 -0.078 1.00 0.00 H new ATOM 0 HD2 HIS A 87 90.552 -12.188 -0.149 1.00 0.00 H new ATOM 0 HE1 HIS A 87 91.190 -11.856 4.031 1.00 0.00 H new ATOM 0 HE2 HIS A 87 92.319 -11.890 1.747 1.00 0.00 H new ATOM 1627 N PHE A 88 88.367 -9.175 0.994 1.00 0.00 N ATOM 1628 CA PHE A 88 89.124 -8.057 0.434 1.00 0.00 C ATOM 1629 C PHE A 88 90.380 -8.560 -0.266 1.00 0.00 C ATOM 1630 O PHE A 88 91.161 -9.314 0.315 1.00 0.00 O ATOM 1631 CB PHE A 88 89.553 -7.078 1.533 1.00 0.00 C ATOM 1632 CG PHE A 88 88.441 -6.284 2.155 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.773 -5.317 1.425 1.00 0.00 C ATOM 1634 CD2 PHE A 88 88.086 -6.488 3.478 1.00 0.00 C ATOM 1635 CE1 PHE A 88 86.766 -4.569 2.001 1.00 0.00 C ATOM 1636 CE2 PHE A 88 87.082 -5.740 4.061 1.00 0.00 C ATOM 1637 CZ PHE A 88 86.421 -4.778 3.320 1.00 0.00 C ATOM 0 H PHE A 88 88.447 -9.273 2.006 1.00 0.00 H new ATOM 0 HA PHE A 88 88.472 -7.550 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 88 90.060 -7.639 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 88 90.282 -6.385 1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 88 88.042 -5.146 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 88 88.599 -7.239 4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 88 86.249 -3.821 1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 88 86.814 -5.906 5.094 1.00 0.00 H new ATOM 0 HZ PHE A 88 85.636 -4.191 3.773 1.00 0.00 H new ATOM 1647 N ILE A 89 90.572 -8.147 -1.509 1.00 0.00 N ATOM 1648 CA ILE A 89 91.782 -8.488 -2.238 1.00 0.00 C ATOM 1649 C ILE A 89 92.649 -7.252 -2.436 1.00 0.00 C ATOM 1650 O ILE A 89 92.149 -6.171 -2.758 1.00 0.00 O ATOM 1651 CB ILE A 89 91.489 -9.144 -3.607 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.655 -8.217 -4.497 1.00 0.00 C ATOM 1653 CG2 ILE A 89 90.782 -10.476 -3.407 1.00 0.00 C ATOM 1654 CD1 ILE A 89 90.471 -8.733 -5.907 1.00 0.00 C ATOM 0 H ILE A 89 89.907 -7.577 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 89 92.315 -9.221 -1.633 1.00 0.00 H new ATOM 0 HB ILE A 89 92.438 -9.322 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.675 -8.074 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.134 -7.239 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 89 90.580 -10.930 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.417 -11.140 -2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 89 89.842 -10.313 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 89 89.871 -8.025 -6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 89 91.445 -8.849 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 89 89.964 -9.698 -5.878 1.00 0.00 H new ATOM 1666 N PHE A 90 93.943 -7.415 -2.220 1.00 0.00 N ATOM 1667 CA PHE A 90 94.886 -6.318 -2.352 1.00 0.00 C ATOM 1668 C PHE A 90 95.728 -6.509 -3.603 1.00 0.00 C ATOM 1669 O PHE A 90 96.643 -7.329 -3.629 1.00 0.00 O ATOM 1670 CB PHE A 90 95.794 -6.238 -1.118 1.00 0.00 C ATOM 1671 CG PHE A 90 95.044 -6.100 0.178 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.707 -4.850 0.670 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.681 -7.224 0.905 1.00 0.00 C ATOM 1674 CE1 PHE A 90 94.019 -4.722 1.861 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.992 -7.102 2.097 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.662 -5.849 2.575 1.00 0.00 C ATOM 0 H PHE A 90 94.367 -8.303 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 90 94.327 -5.386 -2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.413 -7.134 -1.075 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.469 -5.389 -1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.985 -3.965 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.940 -8.205 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.761 -3.742 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.712 -7.984 2.653 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.125 -5.751 3.507 1.00 0.00 H new ATOM 1686 N LEU A 91 95.399 -5.775 -4.651 1.00 0.00 N ATOM 1687 CA LEU A 91 96.129 -5.887 -5.901 1.00 0.00 C ATOM 1688 C LEU A 91 97.303 -4.925 -5.918 1.00 0.00 C ATOM 1689 O LEU A 91 97.222 -3.822 -6.463 1.00 0.00 O ATOM 1690 CB LEU A 91 95.206 -5.646 -7.093 1.00 0.00 C ATOM 1691 CG LEU A 91 94.057 -6.643 -7.213 1.00 0.00 C ATOM 1692 CD1 LEU A 91 93.081 -6.211 -8.295 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.592 -8.037 -7.504 1.00 0.00 C ATOM 0 H LEU A 91 94.636 -5.099 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 91 96.519 -6.902 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.792 -4.640 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.798 -5.680 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 91 93.524 -6.667 -6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.270 -6.936 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.672 -5.232 -8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.600 -6.155 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.760 -8.736 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.150 -8.025 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.250 -8.351 -6.694 1.00 0.00 H new ATOM 1705 N ASN A 92 98.376 -5.338 -5.270 1.00 0.00 N ATOM 1706 CA ASN A 92 99.605 -4.559 -5.228 1.00 0.00 C ATOM 1707 C ASN A 92 100.629 -5.148 -6.183 1.00 0.00 C ATOM 1708 O ASN A 92 100.965 -6.328 -6.091 1.00 0.00 O ATOM 1709 CB ASN A 92 100.177 -4.523 -3.808 1.00 0.00 C ATOM 1710 CG ASN A 92 99.350 -3.670 -2.869 1.00 0.00 C ATOM 1711 OD1 ASN A 92 98.377 -4.140 -2.280 1.00 0.00 O ATOM 1712 ND2 ASN A 92 99.737 -2.412 -2.710 1.00 0.00 N ATOM 0 H ASN A 92 98.423 -6.219 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 92 99.374 -3.539 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 92 100.232 -5.539 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 92 101.196 -4.138 -3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 92 99.222 -1.796 -2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 92 100.549 -2.060 -3.217 1.00 0.00 H new ATOM 1719 N PRO A 93 101.160 -4.326 -7.100 1.00 0.00 N ATOM 1720 CA PRO A 93 102.099 -4.777 -8.137 1.00 0.00 C ATOM 1721 C PRO A 93 103.474 -5.154 -7.581 1.00 0.00 C ATOM 1722 O PRO A 93 104.409 -5.409 -8.337 1.00 0.00 O ATOM 1723 CB PRO A 93 102.224 -3.563 -9.073 1.00 0.00 C ATOM 1724 CG PRO A 93 101.137 -2.623 -8.668 1.00 0.00 C ATOM 1725 CD PRO A 93 100.879 -2.890 -7.216 1.00 0.00 C ATOM 0 HA PRO A 93 101.736 -5.681 -8.627 1.00 0.00 H new ATOM 0 HB2 PRO A 93 103.203 -3.094 -8.976 1.00 0.00 H new ATOM 0 HB3 PRO A 93 102.115 -3.861 -10.116 1.00 0.00 H new ATOM 0 HG2 PRO A 93 101.438 -1.587 -8.827 1.00 0.00 H new ATOM 0 HG3 PRO A 93 100.237 -2.788 -9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 93 101.529 -2.296 -6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 93 99.852 -2.654 -6.937 1.00 0.00 H new ATOM 1733 N ARG A 94 103.596 -5.182 -6.260 1.00 0.00 N ATOM 1734 CA ARG A 94 104.862 -5.515 -5.620 1.00 0.00 C ATOM 1735 C ARG A 94 104.709 -6.723 -4.698 1.00 0.00 C ATOM 1736 O ARG A 94 105.701 -7.284 -4.232 1.00 0.00 O ATOM 1737 CB ARG A 94 105.386 -4.324 -4.811 1.00 0.00 C ATOM 1738 CG ARG A 94 105.519 -3.034 -5.609 1.00 0.00 C ATOM 1739 CD ARG A 94 106.492 -3.178 -6.770 1.00 0.00 C ATOM 1740 NE ARG A 94 106.644 -1.920 -7.498 1.00 0.00 N ATOM 1741 CZ ARG A 94 107.257 -1.795 -8.674 1.00 0.00 C ATOM 1742 NH1 ARG A 94 107.791 -2.850 -9.280 1.00 0.00 N ATOM 1743 NH2 ARG A 94 107.333 -0.604 -9.244 1.00 0.00 N ATOM 0 H ARG A 94 102.835 -4.979 -5.612 1.00 0.00 H new ATOM 0 HA ARG A 94 105.575 -5.759 -6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 94 104.716 -4.149 -3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 94 106.360 -4.582 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 94 104.541 -2.741 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 94 105.857 -2.234 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 94 107.463 -3.503 -6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 94 106.138 -3.953 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 94 106.253 -1.078 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 94 107.735 -3.771 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 94 108.257 -2.739 -10.180 1.00 0.00 H new ATOM 0 HH21 ARG A 94 106.924 0.209 -8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 94 107.800 -0.498 -10.144 1.00 0.00 H new ATOM 1757 N ASP A 95 103.470 -7.130 -4.451 1.00 0.00 N ATOM 1758 CA ASP A 95 103.195 -8.187 -3.481 1.00 0.00 C ATOM 1759 C ASP A 95 102.751 -9.467 -4.191 1.00 0.00 C ATOM 1760 O ASP A 95 102.066 -9.408 -5.213 1.00 0.00 O ATOM 1761 CB ASP A 95 102.122 -7.725 -2.490 1.00 0.00 C ATOM 1762 CG ASP A 95 101.922 -8.707 -1.355 1.00 0.00 C ATOM 1763 OD1 ASP A 95 101.088 -9.621 -1.503 1.00 0.00 O ATOM 1764 OD2 ASP A 95 102.618 -8.578 -0.322 1.00 0.00 O ATOM 0 H ASP A 95 102.641 -6.747 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 95 104.111 -8.402 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 95 102.403 -6.754 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 95 101.179 -7.588 -3.018 1.00 0.00 H new ATOM 1769 N PRO A 96 103.167 -10.640 -3.681 1.00 0.00 N ATOM 1770 CA PRO A 96 102.838 -11.940 -4.277 1.00 0.00 C ATOM 1771 C PRO A 96 101.406 -12.425 -4.000 1.00 0.00 C ATOM 1772 O PRO A 96 101.123 -13.610 -4.176 1.00 0.00 O ATOM 1773 CB PRO A 96 103.851 -12.905 -3.632 1.00 0.00 C ATOM 1774 CG PRO A 96 104.791 -12.050 -2.844 1.00 0.00 C ATOM 1775 CD PRO A 96 104.033 -10.803 -2.510 1.00 0.00 C ATOM 0 HA PRO A 96 102.892 -11.879 -5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 96 103.347 -13.626 -2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 96 104.386 -13.475 -4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 96 105.118 -12.562 -1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 96 105.686 -11.820 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 96 103.457 -10.911 -1.591 1.00 0.00 H new ATOM 0 HD3 PRO A 96 104.696 -9.949 -2.373 1.00 0.00 H new ATOM 1783 N THR A 97 100.512 -11.529 -3.567 1.00 0.00 N ATOM 1784 CA THR A 97 99.094 -11.877 -3.414 1.00 0.00 C ATOM 1785 C THR A 97 98.551 -12.502 -4.704 1.00 0.00 C ATOM 1786 O THR A 97 97.845 -13.512 -4.677 1.00 0.00 O ATOM 1787 CB THR A 97 98.242 -10.642 -3.029 1.00 0.00 C ATOM 1788 OG1 THR A 97 98.598 -10.185 -1.718 1.00 0.00 O ATOM 1789 CG2 THR A 97 96.752 -10.964 -3.059 1.00 0.00 C ATOM 0 H THR A 97 100.741 -10.567 -3.318 1.00 0.00 H new ATOM 0 HA THR A 97 99.023 -12.604 -2.605 1.00 0.00 H new ATOM 0 HB THR A 97 98.445 -9.861 -3.761 1.00 0.00 H new ATOM 0 HG1 THR A 97 99.475 -9.750 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 97 96.182 -10.076 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 97 96.468 -11.281 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 97 96.539 -11.766 -2.352 1.00 0.00 H new ATOM 1797 N TYR A 98 98.891 -11.889 -5.830 1.00 0.00 N ATOM 1798 CA TYR A 98 98.617 -12.465 -7.136 1.00 0.00 C ATOM 1799 C TYR A 98 99.889 -12.449 -7.965 1.00 0.00 C ATOM 1800 O TYR A 98 100.374 -11.386 -8.358 1.00 0.00 O ATOM 1801 CB TYR A 98 97.492 -11.716 -7.856 1.00 0.00 C ATOM 1802 CG TYR A 98 96.108 -12.223 -7.509 1.00 0.00 C ATOM 1803 CD1 TYR A 98 95.609 -13.376 -8.101 1.00 0.00 C ATOM 1804 CD2 TYR A 98 95.302 -11.551 -6.597 1.00 0.00 C ATOM 1805 CE1 TYR A 98 94.348 -13.847 -7.797 1.00 0.00 C ATOM 1806 CE2 TYR A 98 94.037 -12.018 -6.286 1.00 0.00 C ATOM 1807 CZ TYR A 98 93.566 -13.167 -6.890 1.00 0.00 C ATOM 1808 OH TYR A 98 92.307 -13.636 -6.586 1.00 0.00 O ATOM 0 H TYR A 98 99.361 -10.984 -5.862 1.00 0.00 H new ATOM 0 HA TYR A 98 98.282 -13.494 -7.001 1.00 0.00 H new ATOM 0 HB2 TYR A 98 97.555 -10.657 -7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 98 97.641 -11.800 -8.932 1.00 0.00 H new ATOM 0 HD1 TYR A 98 96.219 -13.914 -8.812 1.00 0.00 H new ATOM 0 HD2 TYR A 98 95.668 -10.652 -6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 98 93.976 -14.745 -8.268 1.00 0.00 H new ATOM 0 HE2 TYR A 98 93.422 -11.487 -5.575 1.00 0.00 H new ATOM 0 HH TYR A 98 91.887 -13.043 -5.929 1.00 0.00 H new ATOM 1818 N ARG A 99 100.433 -13.627 -8.216 1.00 0.00 N ATOM 1819 CA ARG A 99 101.726 -13.744 -8.863 1.00 0.00 C ATOM 1820 C ARG A 99 101.736 -14.898 -9.858 1.00 0.00 C ATOM 1821 O ARG A 99 101.815 -16.064 -9.473 1.00 0.00 O ATOM 1822 CB ARG A 99 102.819 -13.949 -7.810 1.00 0.00 C ATOM 1823 CG ARG A 99 104.221 -14.061 -8.386 1.00 0.00 C ATOM 1824 CD ARG A 99 104.648 -12.779 -9.079 1.00 0.00 C ATOM 1825 NE ARG A 99 106.023 -12.860 -9.561 1.00 0.00 N ATOM 1826 CZ ARG A 99 107.009 -12.078 -9.121 1.00 0.00 C ATOM 1827 NH1 ARG A 99 106.762 -11.126 -8.224 1.00 0.00 N ATOM 1828 NH2 ARG A 99 108.239 -12.238 -9.590 1.00 0.00 N ATOM 0 H ARG A 99 99.997 -14.518 -7.980 1.00 0.00 H new ATOM 0 HA ARG A 99 101.921 -12.822 -9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 99 102.792 -13.117 -7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 99 102.597 -14.853 -7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 99 104.925 -14.295 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 99 104.258 -14.888 -9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 99 103.980 -12.578 -9.916 1.00 0.00 H new ATOM 0 HD3 ARG A 99 104.553 -11.942 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 99 106.242 -13.554 -10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 99 105.815 -10.992 -7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.520 -10.530 -7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.430 -12.959 -10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 99 108.995 -11.641 -9.254 1.00 0.00 H new ATOM 1842 N PRO A 100 101.638 -14.583 -11.152 1.00 0.00 N ATOM 1843 CA PRO A 100 101.721 -15.580 -12.214 1.00 0.00 C ATOM 1844 C PRO A 100 103.150 -16.085 -12.389 1.00 0.00 C ATOM 1845 O PRO A 100 104.102 -15.308 -12.287 1.00 0.00 O ATOM 1846 CB PRO A 100 101.263 -14.825 -13.472 1.00 0.00 C ATOM 1847 CG PRO A 100 100.737 -13.511 -12.991 1.00 0.00 C ATOM 1848 CD PRO A 100 101.430 -13.235 -11.690 1.00 0.00 C ATOM 0 HA PRO A 100 101.114 -16.460 -12.000 1.00 0.00 H new ATOM 0 HB2 PRO A 100 102.091 -14.684 -14.166 1.00 0.00 H new ATOM 0 HB3 PRO A 100 100.493 -15.383 -14.004 1.00 0.00 H new ATOM 0 HG2 PRO A 100 100.939 -12.722 -13.715 1.00 0.00 H new ATOM 0 HG3 PRO A 100 99.656 -13.550 -12.856 1.00 0.00 H new ATOM 0 HD2 PRO A 100 102.372 -12.706 -11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 100 100.820 -12.622 -11.026 1.00 0.00 H new ATOM 1856 N PRO A 101 103.320 -17.394 -12.628 1.00 0.00 N ATOM 1857 CA PRO A 101 104.640 -17.983 -12.862 1.00 0.00 C ATOM 1858 C PRO A 101 105.302 -17.416 -14.117 1.00 0.00 C ATOM 1859 O PRO A 101 104.915 -17.747 -15.238 1.00 0.00 O ATOM 1860 CB PRO A 101 104.352 -19.479 -13.034 1.00 0.00 C ATOM 1861 CG PRO A 101 102.902 -19.563 -13.372 1.00 0.00 C ATOM 1862 CD PRO A 101 102.247 -18.402 -12.682 1.00 0.00 C ATOM 0 HA PRO A 101 105.331 -17.770 -12.047 1.00 0.00 H new ATOM 0 HB2 PRO A 101 104.966 -19.910 -13.825 1.00 0.00 H new ATOM 0 HB3 PRO A 101 104.576 -20.030 -12.121 1.00 0.00 H new ATOM 0 HG2 PRO A 101 102.749 -19.512 -14.450 1.00 0.00 H new ATOM 0 HG3 PRO A 101 102.477 -20.508 -13.034 1.00 0.00 H new ATOM 0 HD2 PRO A 101 101.382 -18.040 -13.237 1.00 0.00 H new ATOM 0 HD3 PRO A 101 101.897 -18.671 -11.686 1.00 0.00 H new ATOM 1870 N SER A 102 106.275 -16.541 -13.920 1.00 0.00 N ATOM 1871 CA SER A 102 106.968 -15.917 -15.031 1.00 0.00 C ATOM 1872 C SER A 102 108.278 -16.642 -15.306 1.00 0.00 C ATOM 1873 O SER A 102 108.948 -17.116 -14.384 1.00 0.00 O ATOM 1874 CB SER A 102 107.226 -14.435 -14.736 1.00 0.00 C ATOM 1875 OG SER A 102 107.771 -13.773 -15.867 1.00 0.00 O ATOM 0 H SER A 102 106.602 -16.248 -12.999 1.00 0.00 H new ATOM 0 HA SER A 102 106.339 -15.986 -15.919 1.00 0.00 H new ATOM 0 HB2 SER A 102 106.294 -13.952 -14.443 1.00 0.00 H new ATOM 0 HB3 SER A 102 107.911 -14.343 -13.893 1.00 0.00 H new ATOM 0 HG SER A 102 107.924 -12.829 -15.651 1.00 0.00 H new ATOM 1881 N GLY A 103 108.634 -16.736 -16.577 1.00 0.00 N ATOM 1882 CA GLY A 103 109.854 -17.409 -16.959 1.00 0.00 C ATOM 1883 C GLY A 103 110.766 -16.511 -17.762 1.00 0.00 C ATOM 1884 O GLY A 103 111.366 -16.943 -18.746 1.00 0.00 O ATOM 0 H GLY A 103 108.095 -16.355 -17.355 1.00 0.00 H new ATOM 0 HA2 GLY A 103 110.376 -17.750 -16.065 1.00 0.00 H new ATOM 0 HA3 GLY A 103 109.611 -18.296 -17.544 1.00 0.00 H new ATOM 1888 N GLY A 104 110.859 -15.255 -17.355 1.00 0.00 N ATOM 1889 CA GLY A 104 111.709 -14.310 -18.045 1.00 0.00 C ATOM 1890 C GLY A 104 111.703 -12.961 -17.365 1.00 0.00 C ATOM 1891 O GLY A 104 111.911 -11.938 -18.050 1.00 0.00 O ATOM 1892 OXT GLY A 104 111.475 -12.919 -16.140 1.00 0.00 O ATOM 0 H GLY A 104 110.357 -14.872 -16.554 1.00 0.00 H new ATOM 0 HA2 GLY A 104 112.728 -14.695 -18.082 1.00 0.00 H new ATOM 0 HA3 GLY A 104 111.372 -14.201 -19.076 1.00 0.00 H new TER 1896 GLY A 104