USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 746 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 5 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Set 1.2: A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.00966 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.048 X(o=-0.048,f=-0.048) USER MOD Single : A 8 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-1.4) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.0214 X(o=0.021,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 20:sc= 0.426 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 64 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.475 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -137:sc= -3.03! (180deg=-5.74!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0.293 K(o=0.29,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 138.932 44.033 -74.799 1.00 0.00 N ATOM 2 CA MET A 1 137.557 43.438 -74.838 1.00 0.00 C ATOM 3 C MET A 1 136.931 43.442 -73.434 1.00 0.00 C ATOM 4 O MET A 1 137.629 43.183 -72.451 1.00 0.00 O ATOM 5 CB MET A 1 137.539 42.003 -75.419 1.00 0.00 C ATOM 6 CG MET A 1 137.948 41.919 -76.899 1.00 0.00 C ATOM 7 SD MET A 1 137.860 40.242 -77.591 1.00 0.00 S ATOM 8 CE MET A 1 138.481 40.568 -79.264 1.00 0.00 C ATOM 0 H1 MET A 1 138.929 44.947 -75.296 1.00 0.00 H new ATOM 0 H2 MET A 1 139.220 44.178 -73.810 1.00 0.00 H new ATOM 0 H3 MET A 1 139.603 43.388 -75.264 1.00 0.00 H new ATOM 0 HA MET A 1 136.966 44.063 -75.507 1.00 0.00 H new ATOM 0 HB2 MET A 1 138.210 41.376 -74.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 136.537 41.590 -75.306 1.00 0.00 H new ATOM 0 HG2 MET A 1 137.303 42.577 -77.482 1.00 0.00 H new ATOM 0 HG3 MET A 1 138.966 42.293 -77.007 1.00 0.00 H new ATOM 0 HE1 MET A 1 138.495 39.639 -79.834 1.00 0.00 H new ATOM 0 HE2 MET A 1 137.830 41.289 -79.760 1.00 0.00 H new ATOM 0 HE3 MET A 1 139.491 40.972 -79.205 1.00 0.00 H new ATOM 20 N ARG A 2 135.625 43.739 -73.324 1.00 0.00 N ATOM 21 CA ARG A 2 134.875 43.823 -72.048 1.00 0.00 C ATOM 22 C ARG A 2 133.398 43.422 -72.220 1.00 0.00 C ATOM 23 O ARG A 2 132.817 43.629 -73.288 1.00 0.00 O ATOM 24 CB ARG A 2 135.021 45.259 -71.494 1.00 0.00 C ATOM 25 CG ARG A 2 134.505 45.429 -70.055 1.00 0.00 C ATOM 26 CD ARG A 2 134.834 46.826 -69.512 1.00 0.00 C ATOM 27 NE ARG A 2 134.354 46.987 -68.125 1.00 0.00 N ATOM 28 CZ ARG A 2 134.524 48.043 -67.346 1.00 0.00 C ATOM 29 NH1 ARG A 2 135.159 49.108 -67.751 1.00 0.00 N ATOM 30 NH2 ARG A 2 134.054 48.047 -66.131 1.00 0.00 N ATOM 0 H ARG A 2 135.042 43.933 -74.138 1.00 0.00 H new ATOM 0 HA ARG A 2 135.292 43.112 -71.334 1.00 0.00 H new ATOM 0 HB2 ARG A 2 136.072 45.546 -71.529 1.00 0.00 H new ATOM 0 HB3 ARG A 2 134.482 45.946 -72.146 1.00 0.00 H new ATOM 0 HG2 ARG A 2 133.427 45.271 -70.031 1.00 0.00 H new ATOM 0 HG3 ARG A 2 134.953 44.671 -69.413 1.00 0.00 H new ATOM 0 HD2 ARG A 2 135.911 46.988 -69.548 1.00 0.00 H new ATOM 0 HD3 ARG A 2 134.376 47.583 -70.148 1.00 0.00 H new ATOM 0 HE ARG A 2 133.838 46.203 -67.726 1.00 0.00 H new ATOM 0 HH11 ARG A 2 135.543 49.145 -68.695 1.00 0.00 H new ATOM 0 HH12 ARG A 2 135.272 49.904 -67.123 1.00 0.00 H new ATOM 0 HH21 ARG A 2 133.552 47.233 -65.776 1.00 0.00 H new ATOM 0 HH22 ARG A 2 134.188 48.864 -65.535 1.00 0.00 H new ATOM 44 N GLY A 3 132.791 42.893 -71.153 1.00 0.00 N ATOM 45 CA GLY A 3 131.373 42.510 -71.083 1.00 0.00 C ATOM 46 C GLY A 3 131.079 41.077 -71.554 1.00 0.00 C ATOM 47 O GLY A 3 131.799 40.512 -72.385 1.00 0.00 O ATOM 0 H GLY A 3 133.290 42.712 -70.282 1.00 0.00 H new ATOM 0 HA2 GLY A 3 131.030 42.619 -70.054 1.00 0.00 H new ATOM 0 HA3 GLY A 3 130.791 43.205 -71.688 1.00 0.00 H new ATOM 51 N SER A 4 130.022 40.482 -70.997 1.00 0.00 N ATOM 52 CA SER A 4 129.577 39.099 -71.247 1.00 0.00 C ATOM 53 C SER A 4 128.083 38.899 -70.927 1.00 0.00 C ATOM 54 O SER A 4 127.461 39.723 -70.246 1.00 0.00 O ATOM 55 CB SER A 4 130.429 38.116 -70.423 1.00 0.00 C ATOM 56 OG SER A 4 130.345 38.392 -69.029 1.00 0.00 O ATOM 0 H SER A 4 129.423 40.968 -70.329 1.00 0.00 H new ATOM 0 HA SER A 4 129.710 38.901 -72.311 1.00 0.00 H new ATOM 0 HB2 SER A 4 130.095 37.096 -70.613 1.00 0.00 H new ATOM 0 HB3 SER A 4 131.469 38.176 -70.745 1.00 0.00 H new ATOM 0 HG SER A 4 130.895 37.749 -68.535 1.00 0.00 H new ATOM 62 N HIS A 5 127.493 37.804 -71.425 1.00 0.00 N ATOM 63 CA HIS A 5 126.093 37.415 -71.184 1.00 0.00 C ATOM 64 C HIS A 5 125.944 35.886 -71.112 1.00 0.00 C ATOM 65 O HIS A 5 126.499 35.167 -71.949 1.00 0.00 O ATOM 66 CB HIS A 5 125.209 37.997 -72.300 1.00 0.00 C ATOM 67 CG HIS A 5 123.737 37.701 -72.128 1.00 0.00 C ATOM 68 ND1 HIS A 5 123.083 36.544 -72.564 1.00 0.00 N ATOM 69 CD2 HIS A 5 122.828 38.524 -71.529 1.00 0.00 C ATOM 70 CE1 HIS A 5 121.792 36.698 -72.218 1.00 0.00 C ATOM 71 NE2 HIS A 5 121.612 37.879 -71.599 1.00 0.00 N ATOM 0 H HIS A 5 127.989 37.144 -72.024 1.00 0.00 H new ATOM 0 HA HIS A 5 125.775 37.817 -70.222 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.351 39.077 -72.337 1.00 0.00 H new ATOM 0 HB3 HIS A 5 125.541 37.598 -73.259 1.00 0.00 H new ATOM 0 HD2 HIS A 5 123.023 39.490 -71.087 1.00 0.00 H new ATOM 0 HE1 HIS A 5 121.012 35.977 -72.410 1.00 0.00 H new ATOM 0 HE2 HIS A 5 120.726 38.236 -71.242 1.00 0.00 H new ATOM 79 N HIS A 6 125.192 35.392 -70.117 1.00 0.00 N ATOM 80 CA HIS A 6 125.001 33.953 -69.845 1.00 0.00 C ATOM 81 C HIS A 6 123.554 33.569 -69.471 1.00 0.00 C ATOM 82 O HIS A 6 123.280 32.404 -69.169 1.00 0.00 O ATOM 83 CB HIS A 6 125.972 33.522 -68.728 1.00 0.00 C ATOM 84 CG HIS A 6 127.433 33.748 -69.041 1.00 0.00 C ATOM 85 ND1 HIS A 6 128.248 34.730 -68.465 1.00 0.00 N ATOM 86 CD2 HIS A 6 128.180 33.015 -69.917 1.00 0.00 C ATOM 87 CE1 HIS A 6 129.465 34.566 -69.013 1.00 0.00 C ATOM 88 NE2 HIS A 6 129.452 33.545 -69.889 1.00 0.00 N ATOM 0 H HIS A 6 124.688 35.991 -69.464 1.00 0.00 H new ATOM 0 HA HIS A 6 125.213 33.424 -70.774 1.00 0.00 H new ATOM 0 HB2 HIS A 6 125.721 34.066 -67.817 1.00 0.00 H new ATOM 0 HB3 HIS A 6 125.818 32.463 -68.520 1.00 0.00 H new ATOM 0 HD2 HIS A 6 127.841 32.182 -70.515 1.00 0.00 H new ATOM 0 HE1 HIS A 6 130.331 35.169 -68.782 1.00 0.00 H new ATOM 0 HE2 HIS A 6 130.247 33.219 -70.438 1.00 0.00 H new ATOM 96 N HIS A 7 122.627 34.531 -69.449 1.00 0.00 N ATOM 97 CA HIS A 7 121.283 34.378 -68.875 1.00 0.00 C ATOM 98 C HIS A 7 120.345 33.547 -69.769 1.00 0.00 C ATOM 99 O HIS A 7 120.341 33.695 -70.995 1.00 0.00 O ATOM 100 CB HIS A 7 120.696 35.765 -68.569 1.00 0.00 C ATOM 101 CG HIS A 7 121.587 36.622 -67.694 1.00 0.00 C ATOM 102 ND1 HIS A 7 122.716 37.333 -68.124 1.00 0.00 N ATOM 103 CD2 HIS A 7 121.437 36.807 -66.350 1.00 0.00 C ATOM 104 CE1 HIS A 7 123.210 37.935 -67.028 1.00 0.00 C ATOM 105 NE2 HIS A 7 122.464 37.635 -65.950 1.00 0.00 N ATOM 0 H HIS A 7 122.792 35.459 -69.838 1.00 0.00 H new ATOM 0 HA HIS A 7 121.375 33.816 -67.945 1.00 0.00 H new ATOM 0 HB2 HIS A 7 120.512 36.287 -69.508 1.00 0.00 H new ATOM 0 HB3 HIS A 7 119.730 35.641 -68.079 1.00 0.00 H new ATOM 0 HD2 HIS A 7 120.665 36.387 -65.723 1.00 0.00 H new ATOM 0 HE1 HIS A 7 124.083 38.570 -67.015 1.00 0.00 H new ATOM 0 HE2 HIS A 7 122.630 37.964 -64.999 1.00 0.00 H new ATOM 113 N HIS A 8 119.537 32.680 -69.148 1.00 0.00 N ATOM 114 CA HIS A 8 118.630 31.734 -69.822 1.00 0.00 C ATOM 115 C HIS A 8 117.390 31.409 -68.961 1.00 0.00 C ATOM 116 O HIS A 8 117.361 31.707 -67.763 1.00 0.00 O ATOM 117 CB HIS A 8 119.426 30.459 -70.164 1.00 0.00 C ATOM 118 CG HIS A 8 118.698 29.494 -71.069 1.00 0.00 C ATOM 119 ND1 HIS A 8 117.908 29.846 -72.169 1.00 0.00 N ATOM 120 CD2 HIS A 8 118.691 28.135 -70.937 1.00 0.00 C ATOM 121 CE1 HIS A 8 117.444 28.688 -72.673 1.00 0.00 C ATOM 122 NE2 HIS A 8 117.900 27.648 -71.955 1.00 0.00 N ATOM 0 H HIS A 8 119.492 32.613 -68.131 1.00 0.00 H new ATOM 0 HA HIS A 8 118.251 32.190 -70.736 1.00 0.00 H new ATOM 0 HB2 HIS A 8 120.364 30.747 -70.639 1.00 0.00 H new ATOM 0 HB3 HIS A 8 119.683 29.946 -69.237 1.00 0.00 H new ATOM 0 HD2 HIS A 8 119.204 27.556 -70.183 1.00 0.00 H new ATOM 0 HE1 HIS A 8 116.796 28.606 -73.533 1.00 0.00 H new ATOM 0 HE2 HIS A 8 117.695 26.665 -72.133 1.00 0.00 H new ATOM 130 N HIS A 9 116.367 30.792 -69.561 1.00 0.00 N ATOM 131 CA HIS A 9 115.115 30.376 -68.906 1.00 0.00 C ATOM 132 C HIS A 9 114.624 29.002 -69.400 1.00 0.00 C ATOM 133 O HIS A 9 114.944 28.573 -70.513 1.00 0.00 O ATOM 134 CB HIS A 9 114.036 31.457 -69.097 1.00 0.00 C ATOM 135 CG HIS A 9 113.576 31.633 -70.527 1.00 0.00 C ATOM 136 ND1 HIS A 9 112.443 31.040 -71.096 1.00 0.00 N ATOM 137 CD2 HIS A 9 114.194 32.401 -71.474 1.00 0.00 C ATOM 138 CE1 HIS A 9 112.411 31.460 -72.375 1.00 0.00 C ATOM 139 NE2 HIS A 9 113.448 32.277 -72.627 1.00 0.00 N ATOM 0 H HIS A 9 116.385 30.558 -70.554 1.00 0.00 H new ATOM 0 HA HIS A 9 115.318 30.265 -67.841 1.00 0.00 H new ATOM 0 HB2 HIS A 9 113.174 31.206 -68.479 1.00 0.00 H new ATOM 0 HB3 HIS A 9 114.423 32.409 -68.733 1.00 0.00 H new ATOM 0 HD2 HIS A 9 115.090 32.989 -71.345 1.00 0.00 H new ATOM 0 HE1 HIS A 9 111.658 31.180 -73.097 1.00 0.00 H new ATOM 0 HE2 HIS A 9 113.649 32.728 -73.519 1.00 0.00 H new ATOM 147 N HIS A 10 113.858 28.295 -68.559 1.00 0.00 N ATOM 148 CA HIS A 10 113.369 26.929 -68.813 1.00 0.00 C ATOM 149 C HIS A 10 112.016 26.639 -68.132 1.00 0.00 C ATOM 150 O HIS A 10 111.564 27.393 -67.264 1.00 0.00 O ATOM 151 CB HIS A 10 114.442 25.917 -68.365 1.00 0.00 C ATOM 152 CG HIS A 10 114.717 25.918 -66.877 1.00 0.00 C ATOM 153 ND1 HIS A 10 114.058 25.131 -65.927 1.00 0.00 N ATOM 154 CD2 HIS A 10 115.652 26.686 -66.243 1.00 0.00 C ATOM 155 CE1 HIS A 10 114.608 25.448 -64.741 1.00 0.00 C ATOM 156 NE2 HIS A 10 115.567 26.377 -64.902 1.00 0.00 N ATOM 0 H HIS A 10 113.552 28.665 -67.659 1.00 0.00 H new ATOM 0 HA HIS A 10 113.191 26.831 -69.884 1.00 0.00 H new ATOM 0 HB2 HIS A 10 114.128 24.917 -68.664 1.00 0.00 H new ATOM 0 HB3 HIS A 10 115.370 26.132 -68.894 1.00 0.00 H new ATOM 0 HD2 HIS A 10 116.325 27.395 -66.702 1.00 0.00 H new ATOM 0 HE1 HIS A 10 114.320 25.017 -63.793 1.00 0.00 H new ATOM 0 HE2 HIS A 10 116.135 26.784 -64.159 1.00 0.00 H new ATOM 164 N GLY A 11 111.379 25.530 -68.527 1.00 0.00 N ATOM 165 CA GLY A 11 110.087 25.067 -68.000 1.00 0.00 C ATOM 166 C GLY A 11 108.857 25.724 -68.648 1.00 0.00 C ATOM 167 O GLY A 11 108.942 26.789 -69.268 1.00 0.00 O ATOM 0 H GLY A 11 111.759 24.911 -69.243 1.00 0.00 H new ATOM 0 HA2 GLY A 11 110.020 23.988 -68.137 1.00 0.00 H new ATOM 0 HA3 GLY A 11 110.059 25.255 -66.927 1.00 0.00 H new ATOM 171 N SER A 28 107.702 25.062 -68.515 1.00 0.00 N ATOM 172 CA SER A 28 106.395 25.505 -69.033 1.00 0.00 C ATOM 173 C SER A 28 105.233 24.893 -68.228 1.00 0.00 C ATOM 174 O SER A 28 105.402 23.862 -67.568 1.00 0.00 O ATOM 175 CB SER A 28 106.272 25.121 -70.514 1.00 0.00 C ATOM 176 OG SER A 28 105.143 25.750 -71.105 1.00 0.00 O ATOM 0 H SER A 28 107.646 24.169 -68.026 1.00 0.00 H new ATOM 0 HA SER A 28 106.335 26.588 -68.929 1.00 0.00 H new ATOM 0 HB2 SER A 28 107.177 25.413 -71.047 1.00 0.00 H new ATOM 0 HB3 SER A 28 106.182 24.039 -70.608 1.00 0.00 H new ATOM 0 HG SER A 28 105.083 25.494 -72.049 1.00 0.00 H new ATOM 182 N VAL A 29 104.052 25.518 -68.275 1.00 0.00 N ATOM 183 CA VAL A 29 102.818 25.062 -67.605 1.00 0.00 C ATOM 184 C VAL A 29 101.562 25.473 -68.395 1.00 0.00 C ATOM 185 O VAL A 29 101.530 26.541 -69.013 1.00 0.00 O ATOM 186 CB VAL A 29 102.780 25.563 -66.141 1.00 0.00 C ATOM 187 CG1 VAL A 29 102.645 27.086 -66.006 1.00 0.00 C ATOM 188 CG2 VAL A 29 101.669 24.896 -65.322 1.00 0.00 C ATOM 0 H VAL A 29 103.919 26.384 -68.796 1.00 0.00 H new ATOM 0 HA VAL A 29 102.823 23.972 -67.579 1.00 0.00 H new ATOM 0 HB VAL A 29 103.752 25.275 -65.742 1.00 0.00 H new ATOM 0 HG11 VAL A 29 102.626 27.357 -64.951 1.00 0.00 H new ATOM 0 HG12 VAL A 29 103.493 27.571 -66.490 1.00 0.00 H new ATOM 0 HG13 VAL A 29 101.720 27.413 -66.482 1.00 0.00 H new ATOM 0 HG21 VAL A 29 101.686 25.283 -64.303 1.00 0.00 H new ATOM 0 HG22 VAL A 29 100.702 25.113 -65.776 1.00 0.00 H new ATOM 0 HG23 VAL A 29 101.828 23.818 -65.304 1.00 0.00 H new ATOM 198 N SER A 30 100.520 24.632 -68.350 1.00 0.00 N ATOM 199 CA SER A 30 99.214 24.862 -68.996 1.00 0.00 C ATOM 200 C SER A 30 98.062 24.587 -68.021 1.00 0.00 C ATOM 201 O SER A 30 98.055 23.561 -67.335 1.00 0.00 O ATOM 202 CB SER A 30 99.055 23.977 -70.243 1.00 0.00 C ATOM 203 OG SER A 30 100.047 24.280 -71.217 1.00 0.00 O ATOM 0 H SER A 30 100.561 23.745 -67.848 1.00 0.00 H new ATOM 0 HA SER A 30 99.178 25.909 -69.298 1.00 0.00 H new ATOM 0 HB2 SER A 30 99.128 22.927 -69.959 1.00 0.00 H new ATOM 0 HB3 SER A 30 98.064 24.123 -70.672 1.00 0.00 H new ATOM 0 HG SER A 30 99.925 23.702 -71.999 1.00 0.00 H new ATOM 209 N PHE A 31 97.092 25.504 -67.953 1.00 0.00 N ATOM 210 CA PHE A 31 95.940 25.450 -67.040 1.00 0.00 C ATOM 211 C PHE A 31 94.727 26.242 -67.574 1.00 0.00 C ATOM 212 O PHE A 31 94.862 27.095 -68.458 1.00 0.00 O ATOM 213 CB PHE A 31 96.365 25.971 -65.651 1.00 0.00 C ATOM 214 CG PHE A 31 96.846 27.413 -65.617 1.00 0.00 C ATOM 215 CD1 PHE A 31 98.206 27.713 -65.832 1.00 0.00 C ATOM 216 CD2 PHE A 31 95.936 28.460 -65.368 1.00 0.00 C ATOM 217 CE1 PHE A 31 98.652 29.047 -65.807 1.00 0.00 C ATOM 218 CE2 PHE A 31 96.381 29.795 -65.344 1.00 0.00 C ATOM 219 CZ PHE A 31 97.739 30.088 -65.565 1.00 0.00 C ATOM 0 H PHE A 31 97.084 26.331 -68.550 1.00 0.00 H new ATOM 0 HA PHE A 31 95.620 24.411 -66.962 1.00 0.00 H new ATOM 0 HB2 PHE A 31 95.520 25.871 -64.970 1.00 0.00 H new ATOM 0 HB3 PHE A 31 97.160 25.331 -65.269 1.00 0.00 H new ATOM 0 HD1 PHE A 31 98.910 26.915 -66.017 1.00 0.00 H new ATOM 0 HD2 PHE A 31 94.894 28.237 -65.195 1.00 0.00 H new ATOM 0 HE1 PHE A 31 99.695 29.271 -65.974 1.00 0.00 H new ATOM 0 HE2 PHE A 31 95.680 30.595 -65.156 1.00 0.00 H new ATOM 0 HZ PHE A 31 98.080 31.113 -65.549 1.00 0.00 H new ATOM 229 N GLY A 32 93.541 25.976 -67.018 1.00 0.00 N ATOM 230 CA GLY A 32 92.296 26.698 -67.317 1.00 0.00 C ATOM 231 C GLY A 32 91.061 26.076 -66.648 1.00 0.00 C ATOM 232 O GLY A 32 90.998 24.857 -66.461 1.00 0.00 O ATOM 0 H GLY A 32 93.415 25.234 -66.330 1.00 0.00 H new ATOM 0 HA2 GLY A 32 92.396 27.733 -66.990 1.00 0.00 H new ATOM 0 HA3 GLY A 32 92.145 26.718 -68.396 1.00 0.00 H new ATOM 236 N ALA A 33 90.084 26.913 -66.283 1.00 0.00 N ATOM 237 CA ALA A 33 88.835 26.505 -65.621 1.00 0.00 C ATOM 238 C ALA A 33 87.629 27.400 -66.021 1.00 0.00 C ATOM 239 O ALA A 33 87.044 28.072 -65.161 1.00 0.00 O ATOM 240 CB ALA A 33 89.094 26.472 -64.105 1.00 0.00 C ATOM 0 H ALA A 33 90.139 27.919 -66.443 1.00 0.00 H new ATOM 0 HA ALA A 33 88.546 25.508 -65.954 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.183 26.172 -63.587 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.888 25.757 -63.887 1.00 0.00 H new ATOM 0 HB3 ALA A 33 89.395 27.463 -63.766 1.00 0.00 H new ATOM 246 N PRO A 34 87.255 27.460 -67.319 1.00 0.00 N ATOM 247 CA PRO A 34 86.125 28.263 -67.796 1.00 0.00 C ATOM 248 C PRO A 34 84.767 27.727 -67.301 1.00 0.00 C ATOM 249 O PRO A 34 84.598 26.527 -67.068 1.00 0.00 O ATOM 250 CB PRO A 34 86.228 28.232 -69.325 1.00 0.00 C ATOM 251 CG PRO A 34 86.874 26.875 -69.600 1.00 0.00 C ATOM 252 CD PRO A 34 87.844 26.720 -68.430 1.00 0.00 C ATOM 0 HA PRO A 34 86.173 29.280 -67.406 1.00 0.00 H new ATOM 0 HB2 PRO A 34 85.249 28.316 -69.797 1.00 0.00 H new ATOM 0 HB3 PRO A 34 86.836 29.053 -69.705 1.00 0.00 H new ATOM 0 HG2 PRO A 34 86.136 26.073 -69.623 1.00 0.00 H new ATOM 0 HG3 PRO A 34 87.391 26.860 -70.559 1.00 0.00 H new ATOM 0 HD2 PRO A 34 87.979 25.670 -68.171 1.00 0.00 H new ATOM 0 HD3 PRO A 34 88.828 27.115 -68.684 1.00 0.00 H new ATOM 260 N SER A 35 83.781 28.624 -67.170 1.00 0.00 N ATOM 261 CA SER A 35 82.403 28.298 -66.757 1.00 0.00 C ATOM 262 C SER A 35 81.376 29.234 -67.433 1.00 0.00 C ATOM 263 O SER A 35 80.859 30.164 -66.799 1.00 0.00 O ATOM 264 CB SER A 35 82.312 28.325 -65.223 1.00 0.00 C ATOM 265 OG SER A 35 81.094 27.734 -64.788 1.00 0.00 O ATOM 0 H SER A 35 83.918 29.618 -67.351 1.00 0.00 H new ATOM 0 HA SER A 35 82.152 27.291 -67.092 1.00 0.00 H new ATOM 0 HB2 SER A 35 83.158 27.789 -64.793 1.00 0.00 H new ATOM 0 HB3 SER A 35 82.372 29.353 -64.867 1.00 0.00 H new ATOM 0 HG SER A 35 81.051 27.757 -63.809 1.00 0.00 H new ATOM 271 N PRO A 36 81.111 29.055 -68.744 1.00 0.00 N ATOM 272 CA PRO A 36 80.168 29.883 -69.502 1.00 0.00 C ATOM 273 C PRO A 36 78.696 29.586 -69.152 1.00 0.00 C ATOM 274 O PRO A 36 78.346 28.480 -68.727 1.00 0.00 O ATOM 275 CB PRO A 36 80.476 29.592 -70.974 1.00 0.00 C ATOM 276 CG PRO A 36 80.958 28.142 -70.946 1.00 0.00 C ATOM 277 CD PRO A 36 81.716 28.058 -69.621 1.00 0.00 C ATOM 0 HA PRO A 36 80.291 30.939 -69.260 1.00 0.00 H new ATOM 0 HB2 PRO A 36 79.593 29.711 -71.602 1.00 0.00 H new ATOM 0 HB3 PRO A 36 81.240 30.263 -71.367 1.00 0.00 H new ATOM 0 HG2 PRO A 36 80.126 27.439 -70.980 1.00 0.00 H new ATOM 0 HG3 PRO A 36 81.603 27.914 -71.795 1.00 0.00 H new ATOM 0 HD2 PRO A 36 81.637 27.060 -69.189 1.00 0.00 H new ATOM 0 HD3 PRO A 36 82.777 28.259 -69.766 1.00 0.00 H new ATOM 285 N LEU A 37 77.823 30.578 -69.373 1.00 0.00 N ATOM 286 CA LEU A 37 76.363 30.483 -69.213 1.00 0.00 C ATOM 287 C LEU A 37 75.606 31.426 -70.172 1.00 0.00 C ATOM 288 O LEU A 37 76.141 32.462 -70.580 1.00 0.00 O ATOM 289 CB LEU A 37 75.954 30.709 -67.738 1.00 0.00 C ATOM 290 CG LEU A 37 75.957 32.161 -67.205 1.00 0.00 C ATOM 291 CD1 LEU A 37 75.404 32.170 -65.779 1.00 0.00 C ATOM 292 CD2 LEU A 37 77.345 32.805 -67.167 1.00 0.00 C ATOM 0 H LEU A 37 78.124 31.503 -69.679 1.00 0.00 H new ATOM 0 HA LEU A 37 76.071 29.470 -69.488 1.00 0.00 H new ATOM 0 HB2 LEU A 37 74.951 30.304 -67.602 1.00 0.00 H new ATOM 0 HB3 LEU A 37 76.623 30.120 -67.111 1.00 0.00 H new ATOM 0 HG LEU A 37 75.344 32.739 -67.896 1.00 0.00 H new ATOM 0 HD11 LEU A 37 75.403 33.190 -65.396 1.00 0.00 H new ATOM 0 HD12 LEU A 37 74.385 31.782 -65.781 1.00 0.00 H new ATOM 0 HD13 LEU A 37 76.029 31.544 -65.142 1.00 0.00 H new ATOM 0 HD21 LEU A 37 77.264 33.822 -66.782 1.00 0.00 H new ATOM 0 HD22 LEU A 37 77.999 32.222 -66.518 1.00 0.00 H new ATOM 0 HD23 LEU A 37 77.762 32.831 -68.174 1.00 0.00 H new ATOM 304 N SER A 38 74.353 31.078 -70.496 1.00 0.00 N ATOM 305 CA SER A 38 73.532 31.778 -71.509 1.00 0.00 C ATOM 306 C SER A 38 72.139 32.231 -71.023 1.00 0.00 C ATOM 307 O SER A 38 71.426 32.900 -71.776 1.00 0.00 O ATOM 308 CB SER A 38 73.377 30.892 -72.755 1.00 0.00 C ATOM 309 OG SER A 38 74.645 30.515 -73.283 1.00 0.00 O ATOM 0 H SER A 38 73.870 30.293 -70.059 1.00 0.00 H new ATOM 0 HA SER A 38 74.076 32.694 -71.738 1.00 0.00 H new ATOM 0 HB2 SER A 38 72.807 29.999 -72.500 1.00 0.00 H new ATOM 0 HB3 SER A 38 72.808 31.427 -73.516 1.00 0.00 H new ATOM 0 HG SER A 38 74.515 29.951 -74.074 1.00 0.00 H new ATOM 315 N SER A 39 71.745 31.892 -69.786 1.00 0.00 N ATOM 316 CA SER A 39 70.389 32.113 -69.241 1.00 0.00 C ATOM 317 C SER A 39 70.407 32.520 -67.759 1.00 0.00 C ATOM 318 O SER A 39 71.297 32.119 -67.005 1.00 0.00 O ATOM 319 CB SER A 39 69.538 30.842 -69.390 1.00 0.00 C ATOM 320 OG SER A 39 69.412 30.453 -70.755 1.00 0.00 O ATOM 0 H SER A 39 72.373 31.445 -69.118 1.00 0.00 H new ATOM 0 HA SER A 39 69.957 32.933 -69.815 1.00 0.00 H new ATOM 0 HB2 SER A 39 69.991 30.031 -68.820 1.00 0.00 H new ATOM 0 HB3 SER A 39 68.548 31.014 -68.967 1.00 0.00 H new ATOM 0 HG SER A 39 68.867 29.641 -70.815 1.00 0.00 H new ATOM 326 N GLU A 40 69.402 33.293 -67.328 1.00 0.00 N ATOM 327 CA GLU A 40 69.213 33.740 -65.936 1.00 0.00 C ATOM 328 C GLU A 40 67.718 33.972 -65.614 1.00 0.00 C ATOM 329 O GLU A 40 66.988 34.555 -66.421 1.00 0.00 O ATOM 330 CB GLU A 40 70.031 35.027 -65.711 1.00 0.00 C ATOM 331 CG GLU A 40 70.062 35.482 -64.247 1.00 0.00 C ATOM 332 CD GLU A 40 70.958 36.727 -64.088 1.00 0.00 C ATOM 333 OE1 GLU A 40 72.202 36.582 -63.987 1.00 0.00 O ATOM 334 OE2 GLU A 40 70.427 37.865 -64.072 1.00 0.00 O ATOM 0 H GLU A 40 68.674 33.637 -67.955 1.00 0.00 H new ATOM 0 HA GLU A 40 69.565 32.960 -65.261 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.053 34.864 -66.055 1.00 0.00 H new ATOM 0 HB3 GLU A 40 69.613 35.826 -66.323 1.00 0.00 H new ATOM 0 HG2 GLU A 40 69.051 35.709 -63.909 1.00 0.00 H new ATOM 0 HG3 GLU A 40 70.435 34.675 -63.617 1.00 0.00 H new ATOM 341 N SER A 41 67.267 33.539 -64.428 1.00 0.00 N ATOM 342 CA SER A 41 65.866 33.635 -63.955 1.00 0.00 C ATOM 343 C SER A 41 65.643 34.619 -62.790 1.00 0.00 C ATOM 344 O SER A 41 64.503 34.914 -62.425 1.00 0.00 O ATOM 345 CB SER A 41 65.371 32.233 -63.577 1.00 0.00 C ATOM 346 OG SER A 41 66.203 31.667 -62.570 1.00 0.00 O ATOM 0 H SER A 41 67.882 33.097 -63.745 1.00 0.00 H new ATOM 0 HA SER A 41 65.287 34.047 -64.782 1.00 0.00 H new ATOM 0 HB2 SER A 41 64.343 32.288 -63.220 1.00 0.00 H new ATOM 0 HB3 SER A 41 65.368 31.592 -64.458 1.00 0.00 H new ATOM 0 HG SER A 41 65.874 30.774 -62.338 1.00 0.00 H new ATOM 352 N GLU A 42 66.714 35.178 -62.216 1.00 0.00 N ATOM 353 CA GLU A 42 66.668 36.026 -61.009 1.00 0.00 C ATOM 354 C GLU A 42 65.968 37.388 -61.212 1.00 0.00 C ATOM 355 O GLU A 42 65.625 38.061 -60.238 1.00 0.00 O ATOM 356 CB GLU A 42 68.090 36.233 -60.463 1.00 0.00 C ATOM 357 CG GLU A 42 68.739 34.922 -60.002 1.00 0.00 C ATOM 358 CD GLU A 42 70.102 35.192 -59.336 1.00 0.00 C ATOM 359 OE1 GLU A 42 70.146 35.429 -58.103 1.00 0.00 O ATOM 360 OE2 GLU A 42 71.144 35.161 -60.036 1.00 0.00 O ATOM 0 H GLU A 42 67.658 35.054 -62.581 1.00 0.00 H new ATOM 0 HA GLU A 42 66.055 35.488 -60.286 1.00 0.00 H new ATOM 0 HB2 GLU A 42 68.709 36.689 -61.235 1.00 0.00 H new ATOM 0 HB3 GLU A 42 68.057 36.932 -59.627 1.00 0.00 H new ATOM 0 HG2 GLU A 42 68.080 34.412 -59.299 1.00 0.00 H new ATOM 0 HG3 GLU A 42 68.871 34.257 -60.855 1.00 0.00 H new ATOM 367 N ASP A 43 65.707 37.776 -62.467 1.00 0.00 N ATOM 368 CA ASP A 43 64.916 38.962 -62.829 1.00 0.00 C ATOM 369 C ASP A 43 63.418 38.834 -62.480 1.00 0.00 C ATOM 370 O ASP A 43 62.723 39.838 -62.300 1.00 0.00 O ATOM 371 CB ASP A 43 65.114 39.238 -64.326 1.00 0.00 C ATOM 372 CG ASP A 43 64.449 40.551 -64.775 1.00 0.00 C ATOM 373 OD1 ASP A 43 64.916 41.642 -64.364 1.00 0.00 O ATOM 374 OD2 ASP A 43 63.481 40.502 -65.573 1.00 0.00 O ATOM 0 H ASP A 43 66.048 37.262 -63.279 1.00 0.00 H new ATOM 0 HA ASP A 43 65.275 39.801 -62.234 1.00 0.00 H new ATOM 0 HB2 ASP A 43 66.181 39.281 -64.547 1.00 0.00 H new ATOM 0 HB3 ASP A 43 64.702 38.410 -64.903 1.00 0.00 H new ATOM 379 N GLU A 44 62.935 37.597 -62.337 1.00 0.00 N ATOM 380 CA GLU A 44 61.552 37.256 -61.950 1.00 0.00 C ATOM 381 C GLU A 44 61.459 36.443 -60.641 1.00 0.00 C ATOM 382 O GLU A 44 60.399 36.367 -60.016 1.00 0.00 O ATOM 383 CB GLU A 44 60.866 36.560 -63.141 1.00 0.00 C ATOM 384 CG GLU A 44 59.337 36.503 -63.021 1.00 0.00 C ATOM 385 CD GLU A 44 58.695 36.011 -64.331 1.00 0.00 C ATOM 386 OE1 GLU A 44 58.566 34.777 -64.528 1.00 0.00 O ATOM 387 OE2 GLU A 44 58.301 36.854 -65.176 1.00 0.00 O ATOM 0 H GLU A 44 63.513 36.771 -62.492 1.00 0.00 H new ATOM 0 HA GLU A 44 61.019 38.179 -61.719 1.00 0.00 H new ATOM 0 HB2 GLU A 44 61.131 37.084 -64.059 1.00 0.00 H new ATOM 0 HB3 GLU A 44 61.253 35.545 -63.230 1.00 0.00 H new ATOM 0 HG2 GLU A 44 59.058 35.838 -62.204 1.00 0.00 H new ATOM 0 HG3 GLU A 44 58.952 37.492 -62.773 1.00 0.00 H new ATOM 394 N ILE A 45 62.587 35.891 -60.191 1.00 0.00 N ATOM 395 CA ILE A 45 62.738 35.071 -58.976 1.00 0.00 C ATOM 396 C ILE A 45 63.742 35.762 -58.036 1.00 0.00 C ATOM 397 O ILE A 45 64.921 35.408 -57.981 1.00 0.00 O ATOM 398 CB ILE A 45 63.108 33.606 -59.334 1.00 0.00 C ATOM 399 CG1 ILE A 45 62.142 33.018 -60.394 1.00 0.00 C ATOM 400 CG2 ILE A 45 63.086 32.742 -58.056 1.00 0.00 C ATOM 401 CD1 ILE A 45 62.436 31.569 -60.797 1.00 0.00 C ATOM 0 H ILE A 45 63.471 36.007 -60.687 1.00 0.00 H new ATOM 0 HA ILE A 45 61.791 34.997 -58.442 1.00 0.00 H new ATOM 0 HB ILE A 45 64.110 33.601 -59.763 1.00 0.00 H new ATOM 0 HG12 ILE A 45 61.124 33.074 -60.008 1.00 0.00 H new ATOM 0 HG13 ILE A 45 62.179 33.643 -61.286 1.00 0.00 H new ATOM 0 HG21 ILE A 45 63.346 31.714 -58.307 1.00 0.00 H new ATOM 0 HG22 ILE A 45 63.808 33.134 -57.339 1.00 0.00 H new ATOM 0 HG23 ILE A 45 62.089 32.767 -57.617 1.00 0.00 H new ATOM 0 HD11 ILE A 45 61.710 31.244 -61.542 1.00 0.00 H new ATOM 0 HD12 ILE A 45 63.440 31.505 -61.217 1.00 0.00 H new ATOM 0 HD13 ILE A 45 62.368 30.926 -59.919 1.00 0.00 H new ATOM 413 N ASN A 46 63.274 36.804 -57.338 1.00 0.00 N ATOM 414 CA ASN A 46 64.124 37.744 -56.587 1.00 0.00 C ATOM 415 C ASN A 46 63.979 37.659 -55.046 1.00 0.00 C ATOM 416 O ASN A 46 64.737 38.309 -54.323 1.00 0.00 O ATOM 417 CB ASN A 46 63.844 39.152 -57.149 1.00 0.00 C ATOM 418 CG ASN A 46 64.980 40.125 -56.875 1.00 0.00 C ATOM 419 OD1 ASN A 46 64.908 40.992 -56.013 1.00 0.00 O ATOM 420 ND2 ASN A 46 66.062 40.018 -57.615 1.00 0.00 N ATOM 0 H ASN A 46 62.280 37.023 -57.276 1.00 0.00 H new ATOM 0 HA ASN A 46 65.170 37.474 -56.734 1.00 0.00 H new ATOM 0 HB2 ASN A 46 63.679 39.084 -58.224 1.00 0.00 H new ATOM 0 HB3 ASN A 46 62.925 39.539 -56.710 1.00 0.00 H new ATOM 0 HD21 ASN A 46 66.843 40.658 -57.472 1.00 0.00 H new ATOM 0 HD22 ASN A 46 66.120 39.295 -58.332 1.00 0.00 H new ATOM 427 N TYR A 47 63.033 36.859 -54.536 1.00 0.00 N ATOM 428 CA TYR A 47 62.735 36.693 -53.102 1.00 0.00 C ATOM 429 C TYR A 47 62.463 35.224 -52.733 1.00 0.00 C ATOM 430 O TYR A 47 61.699 34.538 -53.418 1.00 0.00 O ATOM 431 CB TYR A 47 61.531 37.577 -52.732 1.00 0.00 C ATOM 432 CG TYR A 47 60.930 37.284 -51.366 1.00 0.00 C ATOM 433 CD1 TYR A 47 61.548 37.768 -50.196 1.00 0.00 C ATOM 434 CD2 TYR A 47 59.768 36.491 -51.266 1.00 0.00 C ATOM 435 CE1 TYR A 47 60.999 37.471 -48.934 1.00 0.00 C ATOM 436 CE2 TYR A 47 59.219 36.189 -50.005 1.00 0.00 C ATOM 437 CZ TYR A 47 59.831 36.685 -48.833 1.00 0.00 C ATOM 438 OH TYR A 47 59.302 36.408 -47.608 1.00 0.00 O ATOM 0 H TYR A 47 62.431 36.288 -55.130 1.00 0.00 H new ATOM 0 HA TYR A 47 63.611 37.003 -52.532 1.00 0.00 H new ATOM 0 HB2 TYR A 47 61.840 38.622 -52.762 1.00 0.00 H new ATOM 0 HB3 TYR A 47 60.758 37.451 -53.490 1.00 0.00 H new ATOM 0 HD1 TYR A 47 62.444 38.367 -50.267 1.00 0.00 H new ATOM 0 HD2 TYR A 47 59.297 36.113 -52.161 1.00 0.00 H new ATOM 0 HE1 TYR A 47 61.474 37.846 -48.039 1.00 0.00 H new ATOM 0 HE2 TYR A 47 58.331 35.579 -49.934 1.00 0.00 H new ATOM 0 HH TYR A 47 58.499 35.857 -47.716 1.00 0.00 H new ATOM 448 N MET A 48 63.070 34.759 -51.632 1.00 0.00 N ATOM 449 CA MET A 48 62.828 33.436 -51.024 1.00 0.00 C ATOM 450 C MET A 48 63.186 33.425 -49.516 1.00 0.00 C ATOM 451 O MET A 48 63.745 32.456 -48.999 1.00 0.00 O ATOM 452 CB MET A 48 63.589 32.359 -51.833 1.00 0.00 C ATOM 453 CG MET A 48 63.067 30.929 -51.625 1.00 0.00 C ATOM 454 SD MET A 48 61.338 30.656 -52.110 1.00 0.00 S ATOM 455 CE MET A 48 61.180 28.901 -51.682 1.00 0.00 C ATOM 0 H MET A 48 63.764 35.306 -51.122 1.00 0.00 H new ATOM 0 HA MET A 48 61.764 33.204 -51.070 1.00 0.00 H new ATOM 0 HB2 MET A 48 63.527 32.606 -52.893 1.00 0.00 H new ATOM 0 HB3 MET A 48 64.643 32.392 -51.559 1.00 0.00 H new ATOM 0 HG2 MET A 48 63.698 30.244 -52.190 1.00 0.00 H new ATOM 0 HG3 MET A 48 63.177 30.669 -50.572 1.00 0.00 H new ATOM 0 HE1 MET A 48 60.172 28.559 -51.915 1.00 0.00 H new ATOM 0 HE2 MET A 48 61.902 28.320 -52.256 1.00 0.00 H new ATOM 0 HE3 MET A 48 61.371 28.767 -50.617 1.00 0.00 H new ATOM 465 N THR A 49 62.941 34.539 -48.810 1.00 0.00 N ATOM 466 CA THR A 49 63.521 34.833 -47.478 1.00 0.00 C ATOM 467 C THR A 49 62.477 35.255 -46.417 1.00 0.00 C ATOM 468 O THR A 49 62.518 36.385 -45.912 1.00 0.00 O ATOM 469 CB THR A 49 64.678 35.849 -47.606 1.00 0.00 C ATOM 470 OG1 THR A 49 64.329 36.932 -48.453 1.00 0.00 O ATOM 471 CG2 THR A 49 65.927 35.203 -48.208 1.00 0.00 C ATOM 0 H THR A 49 62.325 35.278 -49.149 1.00 0.00 H new ATOM 0 HA THR A 49 63.927 33.895 -47.099 1.00 0.00 H new ATOM 0 HB THR A 49 64.877 36.202 -46.594 1.00 0.00 H new ATOM 0 HG1 THR A 49 63.354 36.983 -48.534 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.721 35.946 -48.283 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.257 34.384 -47.569 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.695 34.818 -49.201 1.00 0.00 H new ATOM 479 N PRO A 50 61.545 34.357 -46.027 1.00 0.00 N ATOM 480 CA PRO A 50 60.627 34.580 -44.903 1.00 0.00 C ATOM 481 C PRO A 50 61.362 34.641 -43.539 1.00 0.00 C ATOM 482 O PRO A 50 62.500 34.167 -43.428 1.00 0.00 O ATOM 483 CB PRO A 50 59.636 33.411 -44.961 1.00 0.00 C ATOM 484 CG PRO A 50 60.467 32.278 -45.556 1.00 0.00 C ATOM 485 CD PRO A 50 61.367 33.007 -46.551 1.00 0.00 C ATOM 0 HA PRO A 50 60.127 35.545 -44.987 1.00 0.00 H new ATOM 0 HB2 PRO A 50 59.257 33.155 -43.972 1.00 0.00 H new ATOM 0 HB3 PRO A 50 58.772 33.646 -45.583 1.00 0.00 H new ATOM 0 HG2 PRO A 50 61.046 31.757 -44.793 1.00 0.00 H new ATOM 0 HG3 PRO A 50 59.842 31.532 -46.047 1.00 0.00 H new ATOM 0 HD2 PRO A 50 62.326 32.499 -46.652 1.00 0.00 H new ATOM 0 HD3 PRO A 50 60.913 33.031 -47.542 1.00 0.00 H new ATOM 493 N PRO A 51 60.732 35.204 -42.484 1.00 0.00 N ATOM 494 CA PRO A 51 61.317 35.286 -41.143 1.00 0.00 C ATOM 495 C PRO A 51 61.480 33.908 -40.472 1.00 0.00 C ATOM 496 O PRO A 51 60.682 32.991 -40.682 1.00 0.00 O ATOM 497 CB PRO A 51 60.387 36.206 -40.344 1.00 0.00 C ATOM 498 CG PRO A 51 59.032 36.011 -41.023 1.00 0.00 C ATOM 499 CD PRO A 51 59.413 35.822 -42.492 1.00 0.00 C ATOM 0 HA PRO A 51 62.332 35.680 -41.190 1.00 0.00 H new ATOM 0 HB2 PRO A 51 60.353 35.927 -39.291 1.00 0.00 H new ATOM 0 HB3 PRO A 51 60.713 37.245 -40.388 1.00 0.00 H new ATOM 0 HG2 PRO A 51 58.503 35.144 -40.628 1.00 0.00 H new ATOM 0 HG3 PRO A 51 58.381 36.874 -40.882 1.00 0.00 H new ATOM 0 HD2 PRO A 51 58.688 35.190 -43.006 1.00 0.00 H new ATOM 0 HD3 PRO A 51 59.432 36.777 -43.017 1.00 0.00 H new ATOM 507 N GLU A 52 62.512 33.777 -39.629 1.00 0.00 N ATOM 508 CA GLU A 52 62.944 32.499 -39.026 1.00 0.00 C ATOM 509 C GLU A 52 62.603 32.350 -37.527 1.00 0.00 C ATOM 510 O GLU A 52 62.828 31.279 -36.954 1.00 0.00 O ATOM 511 CB GLU A 52 64.458 32.326 -39.261 1.00 0.00 C ATOM 512 CG GLU A 52 64.834 32.057 -40.725 1.00 0.00 C ATOM 513 CD GLU A 52 64.474 30.618 -41.150 1.00 0.00 C ATOM 514 OE1 GLU A 52 65.296 29.694 -40.927 1.00 0.00 O ATOM 515 OE2 GLU A 52 63.377 30.391 -41.716 1.00 0.00 O ATOM 0 H GLU A 52 63.085 34.569 -39.338 1.00 0.00 H new ATOM 0 HA GLU A 52 62.379 31.708 -39.520 1.00 0.00 H new ATOM 0 HB2 GLU A 52 64.973 33.225 -38.923 1.00 0.00 H new ATOM 0 HB3 GLU A 52 64.819 31.502 -38.646 1.00 0.00 H new ATOM 0 HG2 GLU A 52 64.317 32.767 -41.370 1.00 0.00 H new ATOM 0 HG3 GLU A 52 65.903 32.221 -40.863 1.00 0.00 H new ATOM 522 N GLN A 53 62.066 33.393 -36.879 1.00 0.00 N ATOM 523 CA GLN A 53 61.783 33.423 -35.436 1.00 0.00 C ATOM 524 C GLN A 53 60.425 34.079 -35.124 1.00 0.00 C ATOM 525 O GLN A 53 60.145 35.198 -35.561 1.00 0.00 O ATOM 526 CB GLN A 53 62.942 34.142 -34.720 1.00 0.00 C ATOM 527 CG GLN A 53 62.836 34.080 -33.188 1.00 0.00 C ATOM 528 CD GLN A 53 64.012 34.790 -32.515 1.00 0.00 C ATOM 529 OE1 GLN A 53 63.922 35.934 -32.086 1.00 0.00 O ATOM 530 NE2 GLN A 53 65.161 34.153 -32.403 1.00 0.00 N ATOM 0 H GLN A 53 61.810 34.259 -37.353 1.00 0.00 H new ATOM 0 HA GLN A 53 61.709 32.400 -35.068 1.00 0.00 H new ATOM 0 HB2 GLN A 53 63.886 33.695 -35.031 1.00 0.00 H new ATOM 0 HB3 GLN A 53 62.964 35.185 -35.035 1.00 0.00 H new ATOM 0 HG2 GLN A 53 61.901 34.540 -32.868 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.806 33.039 -32.866 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.252 33.200 -32.755 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.959 34.613 -31.964 1.00 0.00 H new ATOM 539 N GLU A 54 59.596 33.388 -34.336 1.00 0.00 N ATOM 540 CA GLU A 54 58.307 33.852 -33.805 1.00 0.00 C ATOM 541 C GLU A 54 57.886 33.030 -32.566 1.00 0.00 C ATOM 542 O GLU A 54 58.425 31.947 -32.316 1.00 0.00 O ATOM 543 CB GLU A 54 57.215 33.781 -34.897 1.00 0.00 C ATOM 544 CG GLU A 54 56.925 32.369 -35.426 1.00 0.00 C ATOM 545 CD GLU A 54 55.823 32.409 -36.503 1.00 0.00 C ATOM 546 OE1 GLU A 54 54.619 32.341 -36.151 1.00 0.00 O ATOM 547 OE2 GLU A 54 56.148 32.502 -37.712 1.00 0.00 O ATOM 0 H GLU A 54 59.816 32.439 -34.034 1.00 0.00 H new ATOM 0 HA GLU A 54 58.425 34.891 -33.496 1.00 0.00 H new ATOM 0 HB2 GLU A 54 56.292 34.200 -34.496 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.515 34.413 -35.733 1.00 0.00 H new ATOM 0 HG2 GLU A 54 57.834 31.938 -35.844 1.00 0.00 H new ATOM 0 HG3 GLU A 54 56.615 31.724 -34.604 1.00 0.00 H new ATOM 554 N ALA A 55 56.896 33.532 -31.815 1.00 0.00 N ATOM 555 CA ALA A 55 56.175 32.813 -30.751 1.00 0.00 C ATOM 556 C ALA A 55 57.079 32.119 -29.700 1.00 0.00 C ATOM 557 O ALA A 55 56.904 30.937 -29.384 1.00 0.00 O ATOM 558 CB ALA A 55 55.130 31.895 -31.406 1.00 0.00 C ATOM 0 H ALA A 55 56.561 34.488 -31.935 1.00 0.00 H new ATOM 0 HA ALA A 55 55.658 33.546 -30.132 1.00 0.00 H new ATOM 0 HB1 ALA A 55 54.585 31.354 -30.632 1.00 0.00 H new ATOM 0 HB2 ALA A 55 54.432 32.496 -31.988 1.00 0.00 H new ATOM 0 HB3 ALA A 55 55.631 31.184 -32.062 1.00 0.00 H new ATOM 564 N GLN A 56 58.048 32.864 -29.150 1.00 0.00 N ATOM 565 CA GLN A 56 58.989 32.391 -28.122 1.00 0.00 C ATOM 566 C GLN A 56 59.221 33.490 -27.055 1.00 0.00 C ATOM 567 O GLN A 56 60.303 34.087 -26.994 1.00 0.00 O ATOM 568 CB GLN A 56 60.273 31.900 -28.827 1.00 0.00 C ATOM 569 CG GLN A 56 61.237 31.120 -27.916 1.00 0.00 C ATOM 570 CD GLN A 56 60.629 29.821 -27.389 1.00 0.00 C ATOM 571 OE1 GLN A 56 60.126 29.744 -26.274 1.00 0.00 O ATOM 572 NE2 GLN A 56 60.634 28.753 -28.162 1.00 0.00 N ATOM 0 H GLN A 56 58.204 33.837 -29.414 1.00 0.00 H new ATOM 0 HA GLN A 56 58.583 31.544 -27.568 1.00 0.00 H new ATOM 0 HB2 GLN A 56 59.992 31.265 -29.667 1.00 0.00 H new ATOM 0 HB3 GLN A 56 60.799 32.761 -29.240 1.00 0.00 H new ATOM 0 HG2 GLN A 56 62.148 30.892 -28.469 1.00 0.00 H new ATOM 0 HG3 GLN A 56 61.524 31.750 -27.074 1.00 0.00 H new ATOM 0 HE21 GLN A 56 61.048 28.799 -29.093 1.00 0.00 H new ATOM 0 HE22 GLN A 56 60.223 27.881 -27.829 1.00 0.00 H new ATOM 581 N PRO A 57 58.186 33.837 -26.262 1.00 0.00 N ATOM 582 CA PRO A 57 58.188 35.020 -25.403 1.00 0.00 C ATOM 583 C PRO A 57 58.888 34.802 -24.046 1.00 0.00 C ATOM 584 O PRO A 57 58.979 33.678 -23.537 1.00 0.00 O ATOM 585 CB PRO A 57 56.706 35.366 -25.244 1.00 0.00 C ATOM 586 CG PRO A 57 56.045 33.989 -25.203 1.00 0.00 C ATOM 587 CD PRO A 57 56.867 33.206 -26.227 1.00 0.00 C ATOM 0 HA PRO A 57 58.766 35.831 -25.846 1.00 0.00 H new ATOM 0 HB2 PRO A 57 56.518 35.933 -24.333 1.00 0.00 H new ATOM 0 HB3 PRO A 57 56.339 35.967 -26.075 1.00 0.00 H new ATOM 0 HG2 PRO A 57 56.098 33.541 -24.211 1.00 0.00 H new ATOM 0 HG3 PRO A 57 54.991 34.035 -25.476 1.00 0.00 H new ATOM 0 HD2 PRO A 57 56.945 32.157 -25.943 1.00 0.00 H new ATOM 0 HD3 PRO A 57 56.395 33.236 -27.209 1.00 0.00 H new ATOM 595 N GLY A 58 59.332 35.905 -23.432 1.00 0.00 N ATOM 596 CA GLY A 58 59.953 35.943 -22.097 1.00 0.00 C ATOM 597 C GLY A 58 61.412 35.457 -22.036 1.00 0.00 C ATOM 598 O GLY A 58 61.917 34.796 -22.949 1.00 0.00 O ATOM 0 H GLY A 58 59.268 36.827 -23.862 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.913 36.967 -21.725 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.356 35.333 -21.419 1.00 0.00 H new ATOM 602 N ALA A 59 62.094 35.797 -20.937 1.00 0.00 N ATOM 603 CA ALA A 59 63.467 35.377 -20.628 1.00 0.00 C ATOM 604 C ALA A 59 63.714 35.308 -19.106 1.00 0.00 C ATOM 605 O ALA A 59 63.239 36.161 -18.351 1.00 0.00 O ATOM 606 CB ALA A 59 64.451 36.351 -21.294 1.00 0.00 C ATOM 0 H ALA A 59 61.692 36.393 -20.213 1.00 0.00 H new ATOM 0 HA ALA A 59 63.621 34.372 -21.021 1.00 0.00 H new ATOM 0 HB1 ALA A 59 65.473 36.046 -21.069 1.00 0.00 H new ATOM 0 HB2 ALA A 59 64.298 36.341 -22.373 1.00 0.00 H new ATOM 0 HB3 ALA A 59 64.281 37.358 -20.913 1.00 0.00 H new ATOM 612 N LEU A 60 64.476 34.301 -18.661 1.00 0.00 N ATOM 613 CA LEU A 60 64.888 34.081 -17.269 1.00 0.00 C ATOM 614 C LEU A 60 66.376 33.682 -17.192 1.00 0.00 C ATOM 615 O LEU A 60 66.931 33.148 -18.154 1.00 0.00 O ATOM 616 CB LEU A 60 64.020 32.981 -16.617 1.00 0.00 C ATOM 617 CG LEU A 60 62.540 33.344 -16.364 1.00 0.00 C ATOM 618 CD1 LEU A 60 61.622 32.915 -17.514 1.00 0.00 C ATOM 619 CD2 LEU A 60 62.032 32.633 -15.107 1.00 0.00 C ATOM 0 H LEU A 60 64.839 33.585 -19.290 1.00 0.00 H new ATOM 0 HA LEU A 60 64.748 35.016 -16.726 1.00 0.00 H new ATOM 0 HB2 LEU A 60 64.052 32.096 -17.253 1.00 0.00 H new ATOM 0 HB3 LEU A 60 64.473 32.706 -15.665 1.00 0.00 H new ATOM 0 HG LEU A 60 62.510 34.429 -16.261 1.00 0.00 H new ATOM 0 HD11 LEU A 60 60.594 33.195 -17.283 1.00 0.00 H new ATOM 0 HD12 LEU A 60 61.935 33.410 -18.433 1.00 0.00 H new ATOM 0 HD13 LEU A 60 61.683 31.835 -17.645 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.988 32.896 -14.937 1.00 0.00 H new ATOM 0 HD22 LEU A 60 62.118 31.554 -15.239 1.00 0.00 H new ATOM 0 HD23 LEU A 60 62.628 32.942 -14.248 1.00 0.00 H new ATOM 631 N ALA A 61 67.003 33.902 -16.032 1.00 0.00 N ATOM 632 CA ALA A 61 68.335 33.395 -15.703 1.00 0.00 C ATOM 633 C ALA A 61 68.371 32.737 -14.312 1.00 0.00 C ATOM 634 O ALA A 61 67.975 33.351 -13.316 1.00 0.00 O ATOM 635 CB ALA A 61 69.359 34.530 -15.813 1.00 0.00 C ATOM 0 H ALA A 61 66.587 34.451 -15.279 1.00 0.00 H new ATOM 0 HA ALA A 61 68.594 32.616 -16.420 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.351 34.150 -15.567 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.362 34.920 -16.831 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.094 35.328 -15.119 1.00 0.00 H new ATOM 641 N ALA A 62 68.883 31.508 -14.237 1.00 0.00 N ATOM 642 CA ALA A 62 69.216 30.823 -12.988 1.00 0.00 C ATOM 643 C ALA A 62 70.627 31.205 -12.494 1.00 0.00 C ATOM 644 O ALA A 62 71.482 31.635 -13.275 1.00 0.00 O ATOM 645 CB ALA A 62 69.049 29.311 -13.182 1.00 0.00 C ATOM 0 H ALA A 62 69.083 30.947 -15.065 1.00 0.00 H new ATOM 0 HA ALA A 62 68.530 31.144 -12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.296 28.796 -12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.017 29.091 -13.456 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.715 28.970 -13.975 1.00 0.00 H new ATOM 651 N LEU A 63 70.867 31.050 -11.186 1.00 0.00 N ATOM 652 CA LEU A 63 72.106 31.447 -10.503 1.00 0.00 C ATOM 653 C LEU A 63 72.656 30.335 -9.595 1.00 0.00 C ATOM 654 O LEU A 63 71.904 29.501 -9.084 1.00 0.00 O ATOM 655 CB LEU A 63 71.853 32.713 -9.658 1.00 0.00 C ATOM 656 CG LEU A 63 71.430 33.971 -10.437 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.166 35.111 -9.454 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.516 34.431 -11.406 1.00 0.00 C ATOM 0 H LEU A 63 70.184 30.632 -10.554 1.00 0.00 H new ATOM 0 HA LEU A 63 72.850 31.645 -11.275 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.079 32.487 -8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.762 32.943 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 63 70.534 33.718 -11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.866 36.003 -10.004 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.370 34.823 -8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.074 35.321 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.178 35.321 -11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.425 34.663 -10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.722 33.638 -12.125 1.00 0.00 H new ATOM 670 N HIS A 64 73.963 30.383 -9.331 1.00 0.00 N ATOM 671 CA HIS A 64 74.607 29.650 -8.237 1.00 0.00 C ATOM 672 C HIS A 64 74.462 30.440 -6.926 1.00 0.00 C ATOM 673 O HIS A 64 74.540 31.670 -6.934 1.00 0.00 O ATOM 674 CB HIS A 64 76.078 29.414 -8.592 1.00 0.00 C ATOM 675 CG HIS A 64 76.305 28.365 -9.652 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.173 26.985 -9.474 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.730 28.612 -10.925 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.529 26.434 -10.648 1.00 0.00 C ATOM 679 NE2 HIS A 64 76.868 27.386 -11.534 1.00 0.00 N ATOM 0 H HIS A 64 74.616 30.942 -9.880 1.00 0.00 H new ATOM 0 HA HIS A 64 74.126 28.682 -8.096 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.512 30.355 -8.931 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.614 29.122 -7.689 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.920 29.579 -11.367 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.541 25.373 -10.851 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.175 27.227 -12.494 1.00 0.00 H new ATOM 687 N ALA A 65 74.260 29.748 -5.801 1.00 0.00 N ATOM 688 CA ALA A 65 73.944 30.376 -4.508 1.00 0.00 C ATOM 689 C ALA A 65 75.126 30.442 -3.517 1.00 0.00 C ATOM 690 O ALA A 65 75.080 31.219 -2.561 1.00 0.00 O ATOM 691 CB ALA A 65 72.751 29.622 -3.908 1.00 0.00 C ATOM 0 H ALA A 65 74.311 28.730 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 65 73.702 31.423 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.489 30.062 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.899 29.693 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.016 28.574 -3.767 1.00 0.00 H new ATOM 697 N GLU A 66 76.178 29.638 -3.723 1.00 0.00 N ATOM 698 CA GLU A 66 77.307 29.463 -2.791 1.00 0.00 C ATOM 699 C GLU A 66 78.664 29.376 -3.519 1.00 0.00 C ATOM 700 O GLU A 66 78.730 29.127 -4.728 1.00 0.00 O ATOM 701 CB GLU A 66 77.091 28.201 -1.932 1.00 0.00 C ATOM 702 CG GLU A 66 75.877 28.297 -0.997 1.00 0.00 C ATOM 703 CD GLU A 66 75.803 27.074 -0.064 1.00 0.00 C ATOM 704 OE1 GLU A 66 75.171 26.054 -0.434 1.00 0.00 O ATOM 705 OE2 GLU A 66 76.373 27.122 1.055 1.00 0.00 O ATOM 0 H GLU A 66 76.272 29.073 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 66 77.337 30.346 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 66 76.966 27.341 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.985 28.019 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.942 29.209 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.963 28.365 -1.587 1.00 0.00 H new ATOM 712 N GLY A 67 79.761 29.568 -2.774 1.00 0.00 N ATOM 713 CA GLY A 67 81.135 29.500 -3.295 1.00 0.00 C ATOM 714 C GLY A 67 81.517 30.678 -4.209 1.00 0.00 C ATOM 715 O GLY A 67 80.853 31.721 -4.189 1.00 0.00 O ATOM 0 H GLY A 67 79.719 29.778 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.830 29.465 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.257 28.569 -3.849 1.00 0.00 H new ATOM 719 N PRO A 68 82.571 30.540 -5.040 1.00 0.00 N ATOM 720 CA PRO A 68 83.068 31.622 -5.900 1.00 0.00 C ATOM 721 C PRO A 68 82.093 32.017 -7.028 1.00 0.00 C ATOM 722 O PRO A 68 82.225 33.101 -7.599 1.00 0.00 O ATOM 723 CB PRO A 68 84.406 31.113 -6.449 1.00 0.00 C ATOM 724 CG PRO A 68 84.240 29.595 -6.448 1.00 0.00 C ATOM 725 CD PRO A 68 83.403 29.352 -5.195 1.00 0.00 C ATOM 0 HA PRO A 68 83.179 32.544 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.599 31.495 -7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.241 31.425 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.735 29.242 -7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.201 29.082 -6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.791 28.456 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.039 29.203 -4.322 1.00 0.00 H new ATOM 733 N LEU A 69 81.099 31.168 -7.332 1.00 0.00 N ATOM 734 CA LEU A 69 80.030 31.446 -8.301 1.00 0.00 C ATOM 735 C LEU A 69 78.760 32.053 -7.670 1.00 0.00 C ATOM 736 O LEU A 69 77.784 32.247 -8.384 1.00 0.00 O ATOM 737 CB LEU A 69 79.718 30.178 -9.121 1.00 0.00 C ATOM 738 CG LEU A 69 80.847 29.715 -10.063 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.479 28.359 -10.657 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.109 30.696 -11.206 1.00 0.00 C ATOM 0 H LEU A 69 81.015 30.248 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 69 80.403 32.219 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.485 29.366 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 69 78.822 30.359 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 69 81.757 29.655 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.274 28.026 -11.324 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.351 27.633 -9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.548 28.448 -11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 69 81.914 30.315 -11.835 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.204 30.809 -11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.396 31.664 -10.796 1.00 0.00 H new ATOM 752 N ALA A 70 78.717 32.377 -6.374 1.00 0.00 N ATOM 753 CA ALA A 70 77.510 32.936 -5.758 1.00 0.00 C ATOM 754 C ALA A 70 77.071 34.254 -6.440 1.00 0.00 C ATOM 755 O ALA A 70 77.772 35.268 -6.382 1.00 0.00 O ATOM 756 CB ALA A 70 77.748 33.118 -4.255 1.00 0.00 C ATOM 0 H ALA A 70 79.502 32.262 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 70 76.686 32.237 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.853 33.534 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.975 32.152 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.586 33.798 -4.099 1.00 0.00 H new ATOM 762 N GLY A 71 75.903 34.223 -7.095 1.00 0.00 N ATOM 763 CA GLY A 71 75.360 35.315 -7.918 1.00 0.00 C ATOM 764 C GLY A 71 75.742 35.276 -9.412 1.00 0.00 C ATOM 765 O GLY A 71 75.414 36.213 -10.141 1.00 0.00 O ATOM 0 H GLY A 71 75.288 33.410 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.273 35.300 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.697 36.263 -7.500 1.00 0.00 H new ATOM 769 N LEU A 72 76.421 34.219 -9.879 1.00 0.00 N ATOM 770 CA LEU A 72 76.846 33.989 -11.266 1.00 0.00 C ATOM 771 C LEU A 72 75.963 32.916 -11.966 1.00 0.00 C ATOM 772 O LEU A 72 75.326 32.111 -11.281 1.00 0.00 O ATOM 773 CB LEU A 72 78.368 33.678 -11.276 1.00 0.00 C ATOM 774 CG LEU A 72 79.240 34.912 -10.943 1.00 0.00 C ATOM 775 CD1 LEU A 72 79.470 35.178 -9.454 1.00 0.00 C ATOM 776 CD2 LEU A 72 80.628 34.780 -11.575 1.00 0.00 C ATOM 0 H LEU A 72 76.705 33.458 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 72 76.695 34.888 -11.864 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.576 32.888 -10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.649 33.296 -12.258 1.00 0.00 H new ATOM 0 HG LEU A 72 78.662 35.743 -11.347 1.00 0.00 H new ATOM 0 HD11 LEU A 72 80.093 36.064 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 72 78.511 35.339 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 72 79.970 34.320 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 72 81.225 35.658 -11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 72 81.120 33.887 -11.189 1.00 0.00 H new ATOM 0 HD23 LEU A 72 80.529 34.701 -12.658 1.00 0.00 H new ATOM 788 N PRO A 73 75.873 32.918 -13.315 1.00 0.00 N ATOM 789 CA PRO A 73 74.937 32.093 -14.099 1.00 0.00 C ATOM 790 C PRO A 73 75.235 30.591 -14.045 1.00 0.00 C ATOM 791 O PRO A 73 76.355 30.190 -13.740 1.00 0.00 O ATOM 792 CB PRO A 73 75.054 32.596 -15.544 1.00 0.00 C ATOM 793 CG PRO A 73 76.447 33.211 -15.611 1.00 0.00 C ATOM 794 CD PRO A 73 76.650 33.764 -14.210 1.00 0.00 C ATOM 0 HA PRO A 73 73.934 32.196 -13.685 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.943 31.782 -16.260 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.282 33.331 -15.774 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.203 32.468 -15.864 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.505 33.995 -16.366 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.705 33.751 -13.937 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.318 34.800 -14.150 1.00 0.00 H new ATOM 802 N VAL A 74 74.273 29.745 -14.427 1.00 0.00 N ATOM 803 CA VAL A 74 74.457 28.281 -14.505 1.00 0.00 C ATOM 804 C VAL A 74 74.583 27.784 -15.957 1.00 0.00 C ATOM 805 O VAL A 74 75.305 26.816 -16.197 1.00 0.00 O ATOM 806 CB VAL A 74 73.336 27.546 -13.743 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.646 26.053 -13.569 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.099 28.121 -12.337 1.00 0.00 C ATOM 0 H VAL A 74 73.338 30.052 -14.693 1.00 0.00 H new ATOM 0 HA VAL A 74 75.403 28.046 -14.018 1.00 0.00 H new ATOM 0 HB VAL A 74 72.446 27.686 -14.356 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.831 25.573 -13.027 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.755 25.587 -14.549 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.573 25.937 -13.007 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.299 27.566 -11.847 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.013 28.035 -11.750 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.816 29.171 -12.416 1.00 0.00 H new ATOM 818 N THR A 75 73.950 28.452 -16.933 1.00 0.00 N ATOM 819 CA THR A 75 73.977 28.093 -18.374 1.00 0.00 C ATOM 820 C THR A 75 74.419 29.234 -19.300 1.00 0.00 C ATOM 821 O THR A 75 74.527 30.389 -18.890 1.00 0.00 O ATOM 822 CB THR A 75 72.623 27.537 -18.849 1.00 0.00 C ATOM 823 OG1 THR A 75 71.687 28.586 -18.971 1.00 0.00 O ATOM 824 CG2 THR A 75 72.084 26.458 -17.916 1.00 0.00 C ATOM 0 H THR A 75 73.387 29.282 -16.745 1.00 0.00 H new ATOM 0 HA THR A 75 74.737 27.315 -18.446 1.00 0.00 H new ATOM 0 HB THR A 75 72.783 27.074 -19.823 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.828 28.225 -19.275 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.127 26.096 -18.292 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.792 25.630 -17.869 1.00 0.00 H new ATOM 0 HG23 THR A 75 71.947 26.875 -16.918 1.00 0.00 H new ATOM 832 N ARG A 76 74.662 28.920 -20.583 1.00 0.00 N ATOM 833 CA ARG A 76 74.982 29.904 -21.644 1.00 0.00 C ATOM 834 C ARG A 76 73.823 30.885 -21.854 1.00 0.00 C ATOM 835 O ARG A 76 74.042 32.089 -21.970 1.00 0.00 O ATOM 836 CB ARG A 76 75.334 29.108 -22.921 1.00 0.00 C ATOM 837 CG ARG A 76 75.826 29.944 -24.116 1.00 0.00 C ATOM 838 CD ARG A 76 76.178 28.992 -25.271 1.00 0.00 C ATOM 839 NE ARG A 76 76.580 29.711 -26.496 1.00 0.00 N ATOM 840 CZ ARG A 76 76.170 29.503 -27.734 1.00 0.00 C ATOM 841 NH1 ARG A 76 75.241 28.640 -28.043 1.00 0.00 N ATOM 842 NH2 ARG A 76 76.715 30.178 -28.700 1.00 0.00 N ATOM 0 H ARG A 76 74.643 27.959 -20.924 1.00 0.00 H new ATOM 0 HA ARG A 76 75.834 30.521 -21.361 1.00 0.00 H new ATOM 0 HB2 ARG A 76 76.104 28.378 -22.671 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.452 28.548 -23.232 1.00 0.00 H new ATOM 0 HG2 ARG A 76 75.054 30.648 -24.428 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.698 30.533 -23.832 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.987 28.332 -24.959 1.00 0.00 H new ATOM 0 HD3 ARG A 76 75.318 28.360 -25.491 1.00 0.00 H new ATOM 0 HE ARG A 76 77.259 30.462 -26.371 1.00 0.00 H new ATOM 0 HH11 ARG A 76 74.795 28.087 -27.311 1.00 0.00 H new ATOM 0 HH12 ARG A 76 74.961 28.518 -29.016 1.00 0.00 H new ATOM 0 HH21 ARG A 76 77.449 30.857 -28.497 1.00 0.00 H new ATOM 0 HH22 ARG A 76 76.410 30.029 -29.662 1.00 0.00 H new ATOM 856 N SER A 77 72.592 30.370 -21.790 1.00 0.00 N ATOM 857 CA SER A 77 71.366 31.179 -21.786 1.00 0.00 C ATOM 858 C SER A 77 71.309 32.088 -20.554 1.00 0.00 C ATOM 859 O SER A 77 71.126 33.295 -20.709 1.00 0.00 O ATOM 860 CB SER A 77 70.133 30.272 -21.862 1.00 0.00 C ATOM 861 OG SER A 77 68.964 31.050 -22.068 1.00 0.00 O ATOM 0 H SER A 77 72.415 29.367 -21.739 1.00 0.00 H new ATOM 0 HA SER A 77 71.374 31.822 -22.666 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.249 29.555 -22.675 1.00 0.00 H new ATOM 0 HB3 SER A 77 70.038 29.697 -20.941 1.00 0.00 H new ATOM 0 HG SER A 77 68.183 30.460 -22.117 1.00 0.00 H new ATOM 867 N ASP A 78 71.590 31.565 -19.349 1.00 0.00 N ATOM 868 CA ASP A 78 71.633 32.396 -18.137 1.00 0.00 C ATOM 869 C ASP A 78 72.658 33.529 -18.281 1.00 0.00 C ATOM 870 O ASP A 78 72.325 34.689 -18.045 1.00 0.00 O ATOM 871 CB ASP A 78 72.008 31.589 -16.889 1.00 0.00 C ATOM 872 CG ASP A 78 71.049 30.466 -16.486 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.827 30.547 -16.755 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.550 29.535 -15.817 1.00 0.00 O ATOM 0 H ASP A 78 71.789 30.577 -19.190 1.00 0.00 H new ATOM 0 HA ASP A 78 70.627 32.799 -18.019 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.995 31.154 -17.048 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.096 32.280 -16.050 1.00 0.00 H new ATOM 879 N ALA A 79 73.888 33.221 -18.714 1.00 0.00 N ATOM 880 CA ALA A 79 74.946 34.211 -18.881 1.00 0.00 C ATOM 881 C ALA A 79 74.578 35.309 -19.902 1.00 0.00 C ATOM 882 O ALA A 79 74.766 36.493 -19.616 1.00 0.00 O ATOM 883 CB ALA A 79 76.238 33.460 -19.238 1.00 0.00 C ATOM 0 H ALA A 79 74.172 32.272 -18.958 1.00 0.00 H new ATOM 0 HA ALA A 79 75.093 34.757 -17.949 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.050 34.175 -19.370 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.491 32.768 -18.434 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.091 32.903 -20.163 1.00 0.00 H new ATOM 889 N ARG A 80 73.979 34.958 -21.050 1.00 0.00 N ATOM 890 CA ARG A 80 73.531 35.946 -22.055 1.00 0.00 C ATOM 891 C ARG A 80 72.373 36.819 -21.549 1.00 0.00 C ATOM 892 O ARG A 80 72.406 38.035 -21.733 1.00 0.00 O ATOM 893 CB ARG A 80 73.197 35.218 -23.370 1.00 0.00 C ATOM 894 CG ARG A 80 72.996 36.205 -24.535 1.00 0.00 C ATOM 895 CD ARG A 80 72.773 35.489 -25.874 1.00 0.00 C ATOM 896 NE ARG A 80 71.526 34.694 -25.878 1.00 0.00 N ATOM 897 CZ ARG A 80 70.299 35.112 -26.143 1.00 0.00 C ATOM 898 NH1 ARG A 80 70.033 36.354 -26.438 1.00 0.00 N ATOM 899 NH2 ARG A 80 69.301 34.278 -26.111 1.00 0.00 N ATOM 0 H ARG A 80 73.791 33.990 -21.311 1.00 0.00 H new ATOM 0 HA ARG A 80 74.346 36.645 -22.244 1.00 0.00 H new ATOM 0 HB2 ARG A 80 74.001 34.524 -23.616 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.293 34.624 -23.237 1.00 0.00 H new ATOM 0 HG2 ARG A 80 72.141 36.846 -24.322 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.869 36.854 -24.613 1.00 0.00 H new ATOM 0 HD2 ARG A 80 72.736 36.225 -26.677 1.00 0.00 H new ATOM 0 HD3 ARG A 80 73.620 34.835 -26.081 1.00 0.00 H new ATOM 0 HE ARG A 80 71.624 33.705 -25.649 1.00 0.00 H new ATOM 0 HH11 ARG A 80 70.785 37.043 -26.471 1.00 0.00 H new ATOM 0 HH12 ARG A 80 69.073 36.637 -26.636 1.00 0.00 H new ATOM 0 HH21 ARG A 80 69.463 33.298 -25.881 1.00 0.00 H new ATOM 0 HH22 ARG A 80 68.357 34.605 -26.316 1.00 0.00 H new ATOM 913 N VAL A 81 71.390 36.233 -20.859 1.00 0.00 N ATOM 914 CA VAL A 81 70.266 36.974 -20.245 1.00 0.00 C ATOM 915 C VAL A 81 70.761 37.922 -19.157 1.00 0.00 C ATOM 916 O VAL A 81 70.340 39.076 -19.124 1.00 0.00 O ATOM 917 CB VAL A 81 69.211 36.014 -19.662 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.118 36.734 -18.858 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.508 35.264 -20.790 1.00 0.00 C ATOM 0 H VAL A 81 71.344 35.226 -20.706 1.00 0.00 H new ATOM 0 HA VAL A 81 69.799 37.561 -21.036 1.00 0.00 H new ATOM 0 HB VAL A 81 69.756 35.343 -18.998 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.407 36.002 -18.475 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.573 37.269 -18.024 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.598 37.442 -19.504 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.764 34.588 -20.369 1.00 0.00 H new ATOM 0 HG22 VAL A 81 68.017 35.978 -21.451 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.241 34.690 -21.357 1.00 0.00 H new ATOM 929 N LEU A 82 71.683 37.472 -18.303 1.00 0.00 N ATOM 930 CA LEU A 82 72.304 38.332 -17.287 1.00 0.00 C ATOM 931 C LEU A 82 73.054 39.514 -17.912 1.00 0.00 C ATOM 932 O LEU A 82 72.818 40.642 -17.485 1.00 0.00 O ATOM 933 CB LEU A 82 73.252 37.540 -16.373 1.00 0.00 C ATOM 934 CG LEU A 82 72.572 36.597 -15.369 1.00 0.00 C ATOM 935 CD1 LEU A 82 73.665 35.902 -14.564 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.634 37.308 -14.392 1.00 0.00 C ATOM 0 H LEU A 82 72.020 36.509 -18.294 1.00 0.00 H new ATOM 0 HA LEU A 82 71.487 38.727 -16.683 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.924 36.952 -16.998 1.00 0.00 H new ATOM 0 HB3 LEU A 82 73.869 38.247 -15.819 1.00 0.00 H new ATOM 0 HG LEU A 82 71.961 35.900 -15.943 1.00 0.00 H new ATOM 0 HD11 LEU A 82 73.210 35.225 -13.841 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.308 35.335 -15.237 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.259 36.649 -14.037 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.192 36.577 -13.715 1.00 0.00 H new ATOM 0 HD22 LEU A 82 72.197 38.042 -13.816 1.00 0.00 H new ATOM 0 HD23 LEU A 82 70.844 37.812 -14.948 1.00 0.00 H new ATOM 948 N ILE A 83 73.885 39.288 -18.942 1.00 0.00 N ATOM 949 CA ILE A 83 74.541 40.379 -19.692 1.00 0.00 C ATOM 950 C ILE A 83 73.495 41.381 -20.186 1.00 0.00 C ATOM 951 O ILE A 83 73.640 42.577 -19.943 1.00 0.00 O ATOM 952 CB ILE A 83 75.395 39.833 -20.863 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.677 39.182 -20.292 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.756 40.931 -21.892 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.431 38.321 -21.312 1.00 0.00 C ATOM 0 H ILE A 83 74.122 38.355 -19.278 1.00 0.00 H new ATOM 0 HA ILE A 83 75.223 40.895 -19.016 1.00 0.00 H new ATOM 0 HB ILE A 83 74.803 39.089 -21.397 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.342 39.965 -19.928 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.411 38.565 -19.434 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.355 40.497 -22.692 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.842 41.352 -22.310 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.326 41.719 -21.399 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.319 37.896 -20.844 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.783 37.516 -21.659 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.728 38.938 -22.160 1.00 0.00 H new ATOM 967 N PHE A 84 72.430 40.903 -20.839 1.00 0.00 N ATOM 968 CA PHE A 84 71.391 41.767 -21.389 1.00 0.00 C ATOM 969 C PHE A 84 70.647 42.568 -20.311 1.00 0.00 C ATOM 970 O PHE A 84 70.564 43.787 -20.417 1.00 0.00 O ATOM 971 CB PHE A 84 70.414 40.932 -22.228 1.00 0.00 C ATOM 972 CG PHE A 84 69.523 41.741 -23.153 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.093 42.656 -24.061 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.128 41.544 -23.158 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.291 43.327 -24.996 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.319 42.243 -24.073 1.00 0.00 C ATOM 977 CZ PHE A 84 67.900 43.128 -24.999 1.00 0.00 C ATOM 0 H PHE A 84 72.268 39.909 -20.998 1.00 0.00 H new ATOM 0 HA PHE A 84 71.881 42.503 -22.027 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.985 40.221 -22.825 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.784 40.350 -21.555 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.157 42.842 -24.037 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.679 40.855 -22.458 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.742 43.996 -25.713 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.249 42.099 -24.064 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.279 43.653 -25.710 1.00 0.00 H new ATOM 987 N ASN A 85 70.147 41.916 -19.258 1.00 0.00 N ATOM 988 CA ASN A 85 69.330 42.566 -18.233 1.00 0.00 C ATOM 989 C ASN A 85 70.143 43.523 -17.336 1.00 0.00 C ATOM 990 O ASN A 85 69.688 44.642 -17.061 1.00 0.00 O ATOM 991 CB ASN A 85 68.612 41.477 -17.425 1.00 0.00 C ATOM 992 CG ASN A 85 67.679 42.073 -16.384 1.00 0.00 C ATOM 993 OD1 ASN A 85 67.942 42.038 -15.191 1.00 0.00 O ATOM 994 ND2 ASN A 85 66.564 42.635 -16.799 1.00 0.00 N ATOM 0 H ASN A 85 70.298 40.921 -19.093 1.00 0.00 H new ATOM 0 HA ASN A 85 68.592 43.204 -18.720 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.043 40.838 -18.100 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.350 40.843 -16.933 1.00 0.00 H new ATOM 0 HD21 ASN A 85 65.917 43.043 -16.124 1.00 0.00 H new ATOM 0 HD22 ASN A 85 66.347 42.663 -17.795 1.00 0.00 H new ATOM 1001 N GLU A 86 71.361 43.126 -16.934 1.00 0.00 N ATOM 1002 CA GLU A 86 72.291 44.043 -16.268 1.00 0.00 C ATOM 1003 C GLU A 86 72.584 45.237 -17.170 1.00 0.00 C ATOM 1004 O GLU A 86 72.361 46.366 -16.741 1.00 0.00 O ATOM 1005 CB GLU A 86 73.618 43.372 -15.875 1.00 0.00 C ATOM 1006 CG GLU A 86 73.522 42.529 -14.597 1.00 0.00 C ATOM 1007 CD GLU A 86 73.283 43.404 -13.347 1.00 0.00 C ATOM 1008 OE1 GLU A 86 74.094 44.325 -13.072 1.00 0.00 O ATOM 1009 OE2 GLU A 86 72.290 43.168 -12.618 1.00 0.00 O ATOM 0 H GLU A 86 71.721 42.180 -17.059 1.00 0.00 H new ATOM 0 HA GLU A 86 71.802 44.367 -15.349 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.952 42.737 -16.696 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.378 44.141 -15.737 1.00 0.00 H new ATOM 0 HG2 GLU A 86 72.710 41.809 -14.697 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.441 41.957 -14.469 1.00 0.00 H new ATOM 1016 N TRP A 87 73.016 45.024 -18.422 1.00 0.00 N ATOM 1017 CA TRP A 87 73.269 46.135 -19.330 1.00 0.00 C ATOM 1018 C TRP A 87 72.044 47.032 -19.495 1.00 0.00 C ATOM 1019 O TRP A 87 72.210 48.234 -19.389 1.00 0.00 O ATOM 1020 CB TRP A 87 73.740 45.628 -20.686 1.00 0.00 C ATOM 1021 CG TRP A 87 73.780 46.669 -21.757 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.726 47.618 -21.941 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.838 46.829 -22.853 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.438 48.342 -23.083 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.306 47.868 -23.708 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.684 46.128 -23.253 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.707 48.144 -24.945 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.072 46.413 -24.481 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.575 47.411 -25.333 1.00 0.00 C ATOM 0 H TRP A 87 73.194 44.101 -18.819 1.00 0.00 H new ATOM 0 HA TRP A 87 74.060 46.738 -18.884 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.737 45.202 -20.574 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.082 44.820 -21.006 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.576 47.785 -21.295 1.00 0.00 H new ATOM 0 HE1 TRP A 87 74.994 49.128 -23.420 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.268 45.367 -22.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.111 48.910 -25.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.197 45.855 -24.778 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.094 47.612 -26.279 1.00 0.00 H new ATOM 1040 N GLU A 88 70.832 46.505 -19.675 1.00 0.00 N ATOM 1041 CA GLU A 88 69.611 47.310 -19.774 1.00 0.00 C ATOM 1042 C GLU A 88 69.395 48.223 -18.551 1.00 0.00 C ATOM 1043 O GLU A 88 69.203 49.429 -18.724 1.00 0.00 O ATOM 1044 CB GLU A 88 68.385 46.406 -19.968 1.00 0.00 C ATOM 1045 CG GLU A 88 68.180 45.914 -21.405 1.00 0.00 C ATOM 1046 CD GLU A 88 66.856 45.127 -21.517 1.00 0.00 C ATOM 1047 OE1 GLU A 88 66.683 44.091 -20.826 1.00 0.00 O ATOM 1048 OE2 GLU A 88 65.955 45.563 -22.278 1.00 0.00 O ATOM 0 H GLU A 88 70.668 45.502 -19.757 1.00 0.00 H new ATOM 0 HA GLU A 88 69.736 47.956 -20.643 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.479 45.541 -19.311 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.495 46.950 -19.653 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.166 46.763 -22.089 1.00 0.00 H new ATOM 0 HG3 GLU A 88 69.015 45.279 -21.702 1.00 0.00 H new ATOM 1055 N GLU A 89 69.452 47.708 -17.315 1.00 0.00 N ATOM 1056 CA GLU A 89 69.260 48.564 -16.125 1.00 0.00 C ATOM 1057 C GLU A 89 70.414 49.566 -15.923 1.00 0.00 C ATOM 1058 O GLU A 89 70.198 50.769 -15.710 1.00 0.00 O ATOM 1059 CB GLU A 89 69.071 47.712 -14.860 1.00 0.00 C ATOM 1060 CG GLU A 89 67.774 46.896 -14.901 1.00 0.00 C ATOM 1061 CD GLU A 89 67.437 46.322 -13.510 1.00 0.00 C ATOM 1062 OE1 GLU A 89 68.165 45.430 -13.009 1.00 0.00 O ATOM 1063 OE2 GLU A 89 66.431 46.762 -12.899 1.00 0.00 O ATOM 0 H GLU A 89 69.626 46.724 -17.110 1.00 0.00 H new ATOM 0 HA GLU A 89 68.354 49.144 -16.304 1.00 0.00 H new ATOM 0 HB2 GLU A 89 69.920 47.037 -14.748 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.062 48.361 -13.984 1.00 0.00 H new ATOM 0 HG2 GLU A 89 66.955 47.526 -15.246 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.875 46.082 -15.619 1.00 0.00 H new ATOM 1070 N ARG A 90 71.656 49.087 -16.055 1.00 0.00 N ATOM 1071 CA ARG A 90 72.867 49.913 -15.941 1.00 0.00 C ATOM 1072 C ARG A 90 72.846 51.016 -16.995 1.00 0.00 C ATOM 1073 O ARG A 90 73.058 52.167 -16.658 1.00 0.00 O ATOM 1074 CB ARG A 90 74.126 49.048 -16.096 1.00 0.00 C ATOM 1075 CG ARG A 90 74.261 47.916 -15.070 1.00 0.00 C ATOM 1076 CD ARG A 90 74.907 48.288 -13.737 1.00 0.00 C ATOM 1077 NE ARG A 90 74.960 47.091 -12.878 1.00 0.00 N ATOM 1078 CZ ARG A 90 75.496 46.959 -11.683 1.00 0.00 C ATOM 1079 NH1 ARG A 90 76.088 47.936 -11.057 1.00 0.00 N ATOM 1080 NH2 ARG A 90 75.425 45.794 -11.115 1.00 0.00 N ATOM 0 H ARG A 90 71.853 48.105 -16.246 1.00 0.00 H new ATOM 0 HA ARG A 90 72.887 50.371 -14.952 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.131 48.615 -17.096 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.003 49.692 -16.023 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.267 47.515 -14.869 1.00 0.00 H new ATOM 0 HG3 ARG A 90 74.844 47.113 -15.521 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.911 48.678 -13.901 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.335 49.077 -13.249 1.00 0.00 H new ATOM 0 HE ARG A 90 74.523 46.253 -13.261 1.00 0.00 H new ATOM 0 HH11 ARG A 90 76.152 48.856 -11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 90 76.487 47.781 -10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 90 74.965 45.020 -11.595 1.00 0.00 H new ATOM 0 HH22 ARG A 90 75.829 45.653 -10.189 1.00 0.00 H new ATOM 1094 N LYS A 91 72.488 50.699 -18.241 1.00 0.00 N ATOM 1095 CA LYS A 91 72.316 51.647 -19.367 1.00 0.00 C ATOM 1096 C LYS A 91 71.184 52.652 -19.130 1.00 0.00 C ATOM 1097 O LYS A 91 71.343 53.817 -19.484 1.00 0.00 O ATOM 1098 CB LYS A 91 72.056 50.853 -20.671 1.00 0.00 C ATOM 1099 CG LYS A 91 71.741 51.624 -21.967 1.00 0.00 C ATOM 1100 CD LYS A 91 72.969 52.271 -22.620 1.00 0.00 C ATOM 1101 CE LYS A 91 72.616 53.082 -23.883 1.00 0.00 C ATOM 1102 NZ LYS A 91 72.194 52.228 -25.034 1.00 0.00 N ATOM 0 H LYS A 91 72.300 49.735 -18.515 1.00 0.00 H new ATOM 0 HA LYS A 91 73.236 52.225 -19.451 1.00 0.00 H new ATOM 0 HB2 LYS A 91 72.934 50.236 -20.861 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.224 50.174 -20.482 1.00 0.00 H new ATOM 0 HG2 LYS A 91 71.279 50.942 -22.681 1.00 0.00 H new ATOM 0 HG3 LYS A 91 71.008 52.400 -21.747 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.456 52.926 -21.898 1.00 0.00 H new ATOM 0 HD3 LYS A 91 73.687 51.494 -22.882 1.00 0.00 H new ATOM 0 HE2 LYS A 91 71.814 53.781 -23.645 1.00 0.00 H new ATOM 0 HE3 LYS A 91 73.481 53.676 -24.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 71.971 52.832 -25.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 72.966 51.578 -25.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 71.351 51.679 -24.769 1.00 0.00 H new ATOM 1116 N LYS A 92 70.074 52.254 -18.493 1.00 0.00 N ATOM 1117 CA LYS A 92 69.038 53.206 -18.038 1.00 0.00 C ATOM 1118 C LYS A 92 69.588 54.196 -16.996 1.00 0.00 C ATOM 1119 O LYS A 92 69.173 55.356 -17.000 1.00 0.00 O ATOM 1120 CB LYS A 92 67.792 52.458 -17.533 1.00 0.00 C ATOM 1121 CG LYS A 92 66.958 51.901 -18.700 1.00 0.00 C ATOM 1122 CD LYS A 92 65.862 50.919 -18.246 1.00 0.00 C ATOM 1123 CE LYS A 92 64.801 51.518 -17.304 1.00 0.00 C ATOM 1124 NZ LYS A 92 63.920 52.512 -17.984 1.00 0.00 N ATOM 0 H LYS A 92 69.866 51.279 -18.279 1.00 0.00 H new ATOM 0 HA LYS A 92 68.733 53.805 -18.896 1.00 0.00 H new ATOM 0 HB2 LYS A 92 68.097 51.641 -16.879 1.00 0.00 H new ATOM 0 HB3 LYS A 92 67.179 53.132 -16.935 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.495 52.730 -19.236 1.00 0.00 H new ATOM 0 HG3 LYS A 92 67.620 51.397 -19.404 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.360 50.524 -19.129 1.00 0.00 H new ATOM 0 HD3 LYS A 92 66.336 50.075 -17.745 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.188 50.714 -16.897 1.00 0.00 H new ATOM 0 HE3 LYS A 92 65.299 51.997 -16.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 63.226 52.883 -17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 64.498 53.295 -18.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.421 52.052 -18.772 1.00 0.00 H new ATOM 1138 N SER A 93 70.569 53.790 -16.181 1.00 0.00 N ATOM 1139 CA SER A 93 71.373 54.725 -15.357 1.00 0.00 C ATOM 1140 C SER A 93 72.559 55.406 -16.088 1.00 0.00 C ATOM 1141 O SER A 93 73.029 56.454 -15.642 1.00 0.00 O ATOM 1142 CB SER A 93 71.890 54.013 -14.099 1.00 0.00 C ATOM 1143 OG SER A 93 70.804 53.576 -13.291 1.00 0.00 O ATOM 0 H SER A 93 70.833 52.811 -16.068 1.00 0.00 H new ATOM 0 HA SER A 93 70.685 55.531 -15.102 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.505 53.159 -14.384 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.527 54.688 -13.528 1.00 0.00 H new ATOM 0 HG SER A 93 71.151 53.123 -12.494 1.00 0.00 H new ATOM 1149 N GLU A 94 73.048 54.841 -17.198 1.00 0.00 N ATOM 1150 CA GLU A 94 74.311 55.175 -17.884 1.00 0.00 C ATOM 1151 C GLU A 94 74.144 55.144 -19.422 1.00 0.00 C ATOM 1152 O GLU A 94 74.542 54.165 -20.059 1.00 0.00 O ATOM 1153 CB GLU A 94 75.427 54.183 -17.479 1.00 0.00 C ATOM 1154 CG GLU A 94 75.676 54.097 -15.975 1.00 0.00 C ATOM 1155 CD GLU A 94 76.934 53.259 -15.668 1.00 0.00 C ATOM 1156 OE1 GLU A 94 78.065 53.800 -15.748 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.806 52.061 -15.315 1.00 0.00 O ATOM 0 H GLU A 94 72.545 54.092 -17.674 1.00 0.00 H new ATOM 0 HA GLU A 94 74.587 56.185 -17.580 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.168 53.191 -17.850 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.354 54.476 -17.973 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.794 55.100 -15.565 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.810 53.652 -15.485 1.00 0.00 H new ATOM 1164 N PRO A 95 73.569 56.182 -20.062 1.00 0.00 N ATOM 1165 CA PRO A 95 73.157 56.159 -21.479 1.00 0.00 C ATOM 1166 C PRO A 95 74.281 55.989 -22.533 1.00 0.00 C ATOM 1167 O PRO A 95 74.010 56.029 -23.734 1.00 0.00 O ATOM 1168 CB PRO A 95 72.330 57.439 -21.682 1.00 0.00 C ATOM 1169 CG PRO A 95 72.800 58.367 -20.563 1.00 0.00 C ATOM 1170 CD PRO A 95 73.075 57.392 -19.424 1.00 0.00 C ATOM 0 HA PRO A 95 72.583 55.250 -21.661 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.508 57.877 -22.664 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.261 57.238 -21.611 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.693 58.924 -20.845 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.038 59.100 -20.296 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.810 57.798 -18.729 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.170 57.192 -18.851 1.00 0.00 H new ATOM 1178 N TRP A 96 75.525 55.752 -22.108 1.00 0.00 N ATOM 1179 CA TRP A 96 76.711 55.469 -22.930 1.00 0.00 C ATOM 1180 C TRP A 96 77.139 53.982 -22.956 1.00 0.00 C ATOM 1181 O TRP A 96 78.063 53.633 -23.693 1.00 0.00 O ATOM 1182 CB TRP A 96 77.849 56.357 -22.402 1.00 0.00 C ATOM 1183 CG TRP A 96 78.122 56.230 -20.930 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.922 55.305 -20.349 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.574 57.026 -19.832 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.904 55.472 -18.977 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.088 56.518 -18.602 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.687 58.123 -19.753 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.736 57.062 -17.357 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.334 58.683 -18.508 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.849 58.152 -17.312 1.00 0.00 C ATOM 0 H TRP A 96 75.748 55.752 -21.113 1.00 0.00 H new ATOM 0 HA TRP A 96 76.464 55.692 -23.968 1.00 0.00 H new ATOM 0 HB2 TRP A 96 78.761 56.116 -22.948 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.611 57.397 -22.624 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.488 54.552 -20.877 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.430 54.893 -18.323 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.273 58.539 -20.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.141 56.649 -16.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.662 59.528 -18.473 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.564 58.580 -16.362 1.00 0.00 H new ATOM 1202 N LEU A 97 76.521 53.099 -22.153 1.00 0.00 N ATOM 1203 CA LEU A 97 77.034 51.754 -21.866 1.00 0.00 C ATOM 1204 C LEU A 97 77.093 50.803 -23.082 1.00 0.00 C ATOM 1205 O LEU A 97 76.121 50.662 -23.829 1.00 0.00 O ATOM 1206 CB LEU A 97 76.178 51.151 -20.738 1.00 0.00 C ATOM 1207 CG LEU A 97 76.860 50.011 -19.977 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.094 50.454 -19.188 1.00 0.00 C ATOM 1209 CD2 LEU A 97 75.864 49.420 -18.986 1.00 0.00 C ATOM 0 H LEU A 97 75.641 53.305 -21.681 1.00 0.00 H new ATOM 0 HA LEU A 97 78.076 51.863 -21.566 1.00 0.00 H new ATOM 0 HB2 LEU A 97 75.918 51.940 -20.032 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.244 50.783 -21.162 1.00 0.00 H new ATOM 0 HG LEU A 97 77.187 49.288 -20.725 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.525 49.595 -18.674 1.00 0.00 H new ATOM 0 HD12 LEU A 97 78.831 50.875 -19.872 1.00 0.00 H new ATOM 0 HD13 LEU A 97 77.806 51.208 -18.455 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.337 48.606 -18.436 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.545 50.193 -18.287 1.00 0.00 H new ATOM 0 HD23 LEU A 97 74.997 49.038 -19.525 1.00 0.00 H new ATOM 1221 N ARG A 98 78.212 50.078 -23.220 1.00 0.00 N ATOM 1222 CA ARG A 98 78.470 49.088 -24.288 1.00 0.00 C ATOM 1223 C ARG A 98 77.932 47.686 -23.953 1.00 0.00 C ATOM 1224 O ARG A 98 77.769 47.337 -22.784 1.00 0.00 O ATOM 1225 CB ARG A 98 79.982 49.037 -24.576 1.00 0.00 C ATOM 1226 CG ARG A 98 80.529 50.358 -25.148 1.00 0.00 C ATOM 1227 CD ARG A 98 82.058 50.346 -25.275 1.00 0.00 C ATOM 1228 NE ARG A 98 82.535 49.359 -26.267 1.00 0.00 N ATOM 1229 CZ ARG A 98 83.779 48.933 -26.421 1.00 0.00 C ATOM 1230 NH1 ARG A 98 84.759 49.367 -25.679 1.00 0.00 N ATOM 1231 NH2 ARG A 98 84.066 48.053 -27.337 1.00 0.00 N ATOM 0 H ARG A 98 78.994 50.164 -22.570 1.00 0.00 H new ATOM 0 HA ARG A 98 77.929 49.413 -25.177 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.514 48.798 -23.655 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.185 48.230 -25.280 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.086 50.539 -26.128 1.00 0.00 H new ATOM 0 HG3 ARG A 98 80.226 51.184 -24.504 1.00 0.00 H new ATOM 0 HD2 ARG A 98 82.404 51.340 -25.560 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.499 50.122 -24.303 1.00 0.00 H new ATOM 0 HE ARG A 98 81.835 48.967 -26.896 1.00 0.00 H new ATOM 0 HH11 ARG A 98 84.580 50.058 -24.950 1.00 0.00 H new ATOM 0 HH12 ARG A 98 85.705 49.016 -25.827 1.00 0.00 H new ATOM 0 HH21 ARG A 98 83.330 47.687 -27.941 1.00 0.00 H new ATOM 0 HH22 ARG A 98 85.027 47.729 -27.450 1.00 0.00 H new ATOM 1245 N LEU A 99 77.682 46.887 -24.994 1.00 0.00 N ATOM 1246 CA LEU A 99 77.050 45.559 -24.952 1.00 0.00 C ATOM 1247 C LEU A 99 77.782 44.595 -25.907 1.00 0.00 C ATOM 1248 O LEU A 99 78.021 44.937 -27.066 1.00 0.00 O ATOM 1249 CB LEU A 99 75.575 45.774 -25.349 1.00 0.00 C ATOM 1250 CG LEU A 99 74.561 44.616 -25.277 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.731 43.662 -26.463 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.548 43.893 -23.934 1.00 0.00 C ATOM 0 H LEU A 99 77.928 47.163 -25.945 1.00 0.00 H new ATOM 0 HA LEU A 99 77.107 45.104 -23.963 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.189 46.577 -24.722 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.570 46.141 -26.376 1.00 0.00 H new ATOM 0 HG LEU A 99 73.571 45.066 -25.354 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.003 42.854 -26.387 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.573 44.207 -27.394 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.738 43.245 -26.453 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.810 43.091 -23.960 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.534 43.472 -23.738 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.291 44.598 -23.144 1.00 0.00 H new ATOM 1264 N ASP A 100 78.127 43.393 -25.432 1.00 0.00 N ATOM 1265 CA ASP A 100 78.773 42.342 -26.237 1.00 0.00 C ATOM 1266 C ASP A 100 78.328 40.936 -25.789 1.00 0.00 C ATOM 1267 O ASP A 100 78.245 40.664 -24.590 1.00 0.00 O ATOM 1268 CB ASP A 100 80.302 42.496 -26.145 1.00 0.00 C ATOM 1269 CG ASP A 100 81.070 41.502 -27.038 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.541 41.090 -28.099 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.221 41.151 -26.686 1.00 0.00 O ATOM 0 H ASP A 100 77.964 43.116 -24.464 1.00 0.00 H new ATOM 0 HA ASP A 100 78.465 42.456 -27.276 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.575 43.513 -26.427 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.612 42.358 -25.109 1.00 0.00 H new ATOM 1276 N MET A 101 78.023 40.052 -26.747 1.00 0.00 N ATOM 1277 CA MET A 101 77.451 38.712 -26.508 1.00 0.00 C ATOM 1278 C MET A 101 78.138 37.575 -27.292 1.00 0.00 C ATOM 1279 O MET A 101 77.702 36.424 -27.201 1.00 0.00 O ATOM 1280 CB MET A 101 75.941 38.739 -26.807 1.00 0.00 C ATOM 1281 CG MET A 101 75.163 39.671 -25.873 1.00 0.00 C ATOM 1282 SD MET A 101 73.385 39.661 -26.208 1.00 0.00 S ATOM 1283 CE MET A 101 72.820 40.835 -24.953 1.00 0.00 C ATOM 0 H MET A 101 78.169 40.250 -27.737 1.00 0.00 H new ATOM 0 HA MET A 101 77.631 38.483 -25.458 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.786 39.055 -27.839 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.541 37.729 -26.720 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.336 39.372 -24.839 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.544 40.687 -25.979 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.915 40.454 -24.479 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.597 40.964 -24.200 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.607 41.795 -25.423 1.00 0.00 H new ATOM 1293 N SER A 102 79.207 37.857 -28.049 1.00 0.00 N ATOM 1294 CA SER A 102 80.020 36.825 -28.716 1.00 0.00 C ATOM 1295 C SER A 102 80.639 35.867 -27.691 1.00 0.00 C ATOM 1296 O SER A 102 81.007 36.283 -26.592 1.00 0.00 O ATOM 1297 CB SER A 102 81.122 37.464 -29.571 1.00 0.00 C ATOM 1298 OG SER A 102 80.547 38.215 -30.633 1.00 0.00 O ATOM 0 H SER A 102 79.535 38.808 -28.218 1.00 0.00 H new ATOM 0 HA SER A 102 79.359 36.255 -29.369 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.743 38.112 -28.952 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.774 36.689 -29.975 1.00 0.00 H new ATOM 0 HG SER A 102 81.259 38.619 -31.171 1.00 0.00 H new ATOM 1304 N ASP A 103 80.774 34.579 -28.026 1.00 0.00 N ATOM 1305 CA ASP A 103 81.007 33.528 -27.017 1.00 0.00 C ATOM 1306 C ASP A 103 82.312 33.681 -26.214 1.00 0.00 C ATOM 1307 O ASP A 103 82.357 33.292 -25.046 1.00 0.00 O ATOM 1308 CB ASP A 103 80.921 32.143 -27.669 1.00 0.00 C ATOM 1309 CG ASP A 103 79.467 31.772 -27.989 1.00 0.00 C ATOM 1310 OD1 ASP A 103 78.695 31.452 -27.057 1.00 0.00 O ATOM 1311 OD2 ASP A 103 79.069 31.771 -29.176 1.00 0.00 O ATOM 0 H ASP A 103 80.727 34.235 -28.985 1.00 0.00 H new ATOM 0 HA ASP A 103 80.212 33.643 -26.280 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.512 32.131 -28.585 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.352 31.396 -27.002 1.00 0.00 H new ATOM 1316 N LYS A 104 83.333 34.352 -26.768 1.00 0.00 N ATOM 1317 CA LYS A 104 84.568 34.722 -26.048 1.00 0.00 C ATOM 1318 C LYS A 104 84.292 35.545 -24.781 1.00 0.00 C ATOM 1319 O LYS A 104 84.903 35.284 -23.746 1.00 0.00 O ATOM 1320 CB LYS A 104 85.522 35.473 -26.995 1.00 0.00 C ATOM 1321 CG LYS A 104 86.061 34.567 -28.115 1.00 0.00 C ATOM 1322 CD LYS A 104 87.061 35.325 -29.000 1.00 0.00 C ATOM 1323 CE LYS A 104 87.593 34.403 -30.108 1.00 0.00 C ATOM 1324 NZ LYS A 104 88.573 35.107 -30.983 1.00 0.00 N ATOM 0 H LYS A 104 83.327 34.658 -27.741 1.00 0.00 H new ATOM 0 HA LYS A 104 85.042 33.798 -25.716 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.999 36.322 -27.436 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.357 35.876 -26.422 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.545 33.693 -27.680 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.233 34.203 -28.724 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.579 36.197 -29.442 1.00 0.00 H new ATOM 0 HD3 LYS A 104 87.889 35.692 -28.394 1.00 0.00 H new ATOM 0 HE2 LYS A 104 88.066 33.530 -29.659 1.00 0.00 H new ATOM 0 HE3 LYS A 104 86.761 34.040 -30.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 88.911 34.455 -31.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 88.114 35.926 -31.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 89.379 35.431 -30.411 1.00 0.00 H new ATOM 1338 N ALA A 105 83.314 36.457 -24.821 1.00 0.00 N ATOM 1339 CA ALA A 105 82.843 37.201 -23.647 1.00 0.00 C ATOM 1340 C ALA A 105 82.306 36.271 -22.554 1.00 0.00 C ATOM 1341 O ALA A 105 82.522 36.507 -21.370 1.00 0.00 O ATOM 1342 CB ALA A 105 81.788 38.226 -24.088 1.00 0.00 C ATOM 0 H ALA A 105 82.821 36.702 -25.680 1.00 0.00 H new ATOM 0 HA ALA A 105 83.689 37.728 -23.206 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.435 38.781 -23.219 1.00 0.00 H new ATOM 0 HB2 ALA A 105 82.230 38.917 -24.806 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.949 37.708 -24.553 1.00 0.00 H new ATOM 1348 N ILE A 106 81.656 35.177 -22.949 1.00 0.00 N ATOM 1349 CA ILE A 106 80.994 34.245 -22.032 1.00 0.00 C ATOM 1350 C ILE A 106 82.039 33.337 -21.383 1.00 0.00 C ATOM 1351 O ILE A 106 82.039 33.192 -20.165 1.00 0.00 O ATOM 1352 CB ILE A 106 79.883 33.457 -22.764 1.00 0.00 C ATOM 1353 CG1 ILE A 106 79.069 34.315 -23.762 1.00 0.00 C ATOM 1354 CG2 ILE A 106 78.941 32.801 -21.742 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.563 35.676 -23.277 1.00 0.00 C ATOM 0 H ILE A 106 81.572 34.908 -23.929 1.00 0.00 H new ATOM 0 HA ILE A 106 80.501 34.799 -21.233 1.00 0.00 H new ATOM 0 HB ILE A 106 80.387 32.693 -23.356 1.00 0.00 H new ATOM 0 HG12 ILE A 106 79.687 34.481 -24.644 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.207 33.730 -24.082 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.162 32.248 -22.267 1.00 0.00 H new ATOM 0 HG22 ILE A 106 79.508 32.117 -21.111 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.484 33.572 -21.122 1.00 0.00 H new ATOM 0 HD11 ILE A 106 78.010 36.166 -24.079 1.00 0.00 H new ATOM 0 HD12 ILE A 106 77.907 35.535 -22.418 1.00 0.00 H new ATOM 0 HD13 ILE A 106 79.411 36.298 -22.989 1.00 0.00 H new ATOM 1367 N PHE A 107 82.999 32.824 -22.161 1.00 0.00 N ATOM 1368 CA PHE A 107 84.135 32.055 -21.637 1.00 0.00 C ATOM 1369 C PHE A 107 84.974 32.875 -20.643 1.00 0.00 C ATOM 1370 O PHE A 107 85.367 32.369 -19.591 1.00 0.00 O ATOM 1371 CB PHE A 107 85.051 31.608 -22.790 1.00 0.00 C ATOM 1372 CG PHE A 107 84.422 30.933 -23.998 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.270 30.128 -23.893 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.040 31.104 -25.251 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.744 29.498 -25.037 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.513 30.477 -26.395 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.367 29.670 -26.285 1.00 0.00 C ATOM 0 H PHE A 107 83.010 32.931 -23.175 1.00 0.00 H new ATOM 0 HA PHE A 107 83.721 31.190 -21.119 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.590 32.487 -23.145 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.793 30.924 -22.378 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.790 29.994 -22.935 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.923 31.720 -25.335 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.861 28.882 -24.955 1.00 0.00 H new ATOM 0 HE2 PHE A 107 84.988 30.615 -27.355 1.00 0.00 H new ATOM 0 HZ PHE A 107 82.965 29.182 -27.160 1.00 0.00 H new ATOM 1387 N ARG A 108 85.245 34.148 -20.975 1.00 0.00 N ATOM 1388 CA ARG A 108 86.122 35.038 -20.208 1.00 0.00 C ATOM 1389 C ARG A 108 85.460 35.565 -18.926 1.00 0.00 C ATOM 1390 O ARG A 108 86.113 35.604 -17.883 1.00 0.00 O ATOM 1391 CB ARG A 108 86.608 36.124 -21.186 1.00 0.00 C ATOM 1392 CG ARG A 108 87.853 36.888 -20.724 1.00 0.00 C ATOM 1393 CD ARG A 108 87.567 38.091 -19.813 1.00 0.00 C ATOM 1394 NE ARG A 108 88.821 38.732 -19.368 1.00 0.00 N ATOM 1395 CZ ARG A 108 89.532 39.656 -19.994 1.00 0.00 C ATOM 1396 NH1 ARG A 108 89.183 40.144 -21.152 1.00 0.00 N ATOM 1397 NH2 ARG A 108 90.629 40.111 -19.459 1.00 0.00 N ATOM 0 H ARG A 108 84.850 34.594 -21.803 1.00 0.00 H new ATOM 0 HA ARG A 108 86.987 34.503 -19.816 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.820 35.659 -22.149 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.799 36.837 -21.348 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.511 36.198 -20.196 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.396 37.236 -21.603 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.953 38.817 -20.346 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.994 37.765 -18.945 1.00 0.00 H new ATOM 0 HE ARG A 108 89.184 38.424 -18.466 1.00 0.00 H new ATOM 0 HH11 ARG A 108 88.333 39.814 -21.609 1.00 0.00 H new ATOM 0 HH12 ARG A 108 89.760 40.856 -21.600 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.942 39.755 -18.556 1.00 0.00 H new ATOM 0 HH22 ARG A 108 91.175 40.823 -19.943 1.00 0.00 H new ATOM 1411 N ARG A 109 84.161 35.901 -18.971 1.00 0.00 N ATOM 1412 CA ARG A 109 83.362 36.258 -17.777 1.00 0.00 C ATOM 1413 C ARG A 109 83.106 35.054 -16.861 1.00 0.00 C ATOM 1414 O ARG A 109 83.169 35.192 -15.640 1.00 0.00 O ATOM 1415 CB ARG A 109 82.012 36.861 -18.199 1.00 0.00 C ATOM 1416 CG ARG A 109 82.121 38.288 -18.751 1.00 0.00 C ATOM 1417 CD ARG A 109 80.771 38.726 -19.335 1.00 0.00 C ATOM 1418 NE ARG A 109 80.803 40.139 -19.763 1.00 0.00 N ATOM 1419 CZ ARG A 109 80.471 41.206 -19.054 1.00 0.00 C ATOM 1420 NH1 ARG A 109 80.043 41.120 -17.826 1.00 0.00 N ATOM 1421 NH2 ARG A 109 80.566 42.395 -19.575 1.00 0.00 N ATOM 0 H ARG A 109 83.628 35.934 -19.840 1.00 0.00 H new ATOM 0 HA ARG A 109 83.945 36.990 -17.218 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.559 36.221 -18.956 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.340 36.863 -17.340 1.00 0.00 H new ATOM 0 HG2 ARG A 109 82.423 38.972 -17.958 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.892 38.332 -19.521 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.518 38.092 -20.185 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.988 38.588 -18.589 1.00 0.00 H new ATOM 0 HE ARG A 109 81.118 40.313 -20.717 1.00 0.00 H new ATOM 0 HH11 ARG A 109 79.954 40.207 -17.380 1.00 0.00 H new ATOM 0 HH12 ARG A 109 79.797 41.966 -17.311 1.00 0.00 H new ATOM 0 HH21 ARG A 109 80.897 42.507 -20.533 1.00 0.00 H new ATOM 0 HH22 ARG A 109 80.309 43.215 -19.025 1.00 0.00 H new ATOM 1435 N TYR A 110 82.825 33.890 -17.454 1.00 0.00 N ATOM 1436 CA TYR A 110 82.315 32.698 -16.771 1.00 0.00 C ATOM 1437 C TYR A 110 83.179 31.459 -17.093 1.00 0.00 C ATOM 1438 O TYR A 110 82.788 30.612 -17.900 1.00 0.00 O ATOM 1439 CB TYR A 110 80.826 32.531 -17.129 1.00 0.00 C ATOM 1440 CG TYR A 110 79.998 33.779 -16.887 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.847 34.281 -15.580 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.450 34.481 -17.976 1.00 0.00 C ATOM 1443 CE1 TYR A 110 79.177 35.503 -15.368 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.754 35.688 -17.764 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.624 36.208 -16.461 1.00 0.00 C ATOM 1446 OH TYR A 110 77.977 37.392 -16.272 1.00 0.00 O ATOM 0 H TYR A 110 82.951 33.747 -18.456 1.00 0.00 H new ATOM 0 HA TYR A 110 82.385 32.814 -15.689 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.743 32.248 -18.178 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.410 31.711 -16.544 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.244 33.730 -14.740 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.563 34.094 -18.978 1.00 0.00 H new ATOM 0 HE1 TYR A 110 79.086 35.901 -14.368 1.00 0.00 H new ATOM 0 HE2 TYR A 110 78.320 36.215 -18.601 1.00 0.00 H new ATOM 0 HH TYR A 110 77.663 37.735 -17.135 1.00 0.00 H new ATOM 1456 N PRO A 111 84.363 31.316 -16.458 1.00 0.00 N ATOM 1457 CA PRO A 111 85.309 30.231 -16.747 1.00 0.00 C ATOM 1458 C PRO A 111 84.810 28.833 -16.330 1.00 0.00 C ATOM 1459 O PRO A 111 85.407 27.828 -16.719 1.00 0.00 O ATOM 1460 CB PRO A 111 86.604 30.624 -16.026 1.00 0.00 C ATOM 1461 CG PRO A 111 86.113 31.466 -14.851 1.00 0.00 C ATOM 1462 CD PRO A 111 84.925 32.212 -15.453 1.00 0.00 C ATOM 0 HA PRO A 111 85.451 30.129 -17.823 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.158 29.748 -15.689 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.270 31.191 -16.676 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.817 30.847 -14.004 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.882 32.150 -14.492 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.187 32.454 -14.688 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.241 33.154 -15.901 1.00 0.00 H new ATOM 1470 N HIS A 112 83.702 28.745 -15.580 1.00 0.00 N ATOM 1471 CA HIS A 112 83.000 27.489 -15.292 1.00 0.00 C ATOM 1472 C HIS A 112 82.109 27.004 -16.452 1.00 0.00 C ATOM 1473 O HIS A 112 81.771 25.819 -16.518 1.00 0.00 O ATOM 1474 CB HIS A 112 82.159 27.683 -14.023 1.00 0.00 C ATOM 1475 CG HIS A 112 80.870 28.445 -14.232 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.746 29.775 -14.660 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.624 27.924 -14.041 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.421 30.026 -14.679 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.737 28.941 -14.301 1.00 0.00 N ATOM 0 H HIS A 112 83.262 29.559 -15.150 1.00 0.00 H new ATOM 0 HA HIS A 112 83.753 26.713 -15.150 1.00 0.00 H new ATOM 0 HB2 HIS A 112 81.923 26.704 -13.606 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.760 28.209 -13.281 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.383 26.914 -13.745 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.976 30.969 -14.960 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.722 28.878 -14.219 1.00 0.00 H new ATOM 1487 N LEU A 113 81.709 27.917 -17.347 1.00 0.00 N ATOM 1488 CA LEU A 113 80.692 27.717 -18.372 1.00 0.00 C ATOM 1489 C LEU A 113 81.284 27.178 -19.694 1.00 0.00 C ATOM 1490 O LEU A 113 80.634 26.388 -20.388 1.00 0.00 O ATOM 1491 CB LEU A 113 79.988 29.086 -18.521 1.00 0.00 C ATOM 1492 CG LEU A 113 78.492 29.085 -18.853 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.237 28.518 -20.242 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.676 28.325 -17.816 1.00 0.00 C ATOM 0 H LEU A 113 82.107 28.856 -17.372 1.00 0.00 H new ATOM 0 HA LEU A 113 79.976 26.946 -18.088 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.125 29.636 -17.590 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.504 29.646 -19.301 1.00 0.00 H new ATOM 0 HG LEU A 113 78.166 30.125 -18.835 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.167 28.530 -20.449 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.757 29.124 -20.984 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.604 27.493 -20.290 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.622 28.351 -18.092 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.015 27.290 -17.774 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.806 28.790 -16.839 1.00 0.00 H new ATOM 1506 N ARG A 114 82.528 27.566 -20.021 1.00 0.00 N ATOM 1507 CA ARG A 114 83.287 27.065 -21.185 1.00 0.00 C ATOM 1508 C ARG A 114 83.515 25.540 -21.167 1.00 0.00 C ATOM 1509 O ARG A 114 83.685 24.943 -20.077 1.00 0.00 O ATOM 1510 CB ARG A 114 84.613 27.833 -21.356 1.00 0.00 C ATOM 1511 CG ARG A 114 85.576 27.728 -20.159 1.00 0.00 C ATOM 1512 CD ARG A 114 86.950 28.341 -20.451 1.00 0.00 C ATOM 1513 NE ARG A 114 87.710 27.542 -21.434 1.00 0.00 N ATOM 1514 CZ ARG A 114 88.923 27.788 -21.892 1.00 0.00 C ATOM 1515 NH1 ARG A 114 89.611 28.828 -21.516 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.476 26.979 -22.747 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.536 24.939 -22.267 1.00 0.00 O ATOM 0 H ARG A 114 83.048 28.252 -19.473 1.00 0.00 H new ATOM 0 HA ARG A 114 82.662 27.257 -22.057 1.00 0.00 H new ATOM 0 HB2 ARG A 114 85.120 27.462 -22.247 1.00 0.00 H new ATOM 0 HB3 ARG A 114 84.388 28.885 -21.533 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.135 28.229 -19.298 1.00 0.00 H new ATOM 0 HG3 ARG A 114 85.700 26.679 -19.889 1.00 0.00 H new ATOM 0 HD2 ARG A 114 86.822 29.356 -20.828 1.00 0.00 H new ATOM 0 HD3 ARG A 114 87.519 28.415 -19.524 1.00 0.00 H new ATOM 0 HE ARG A 114 87.247 26.710 -21.798 1.00 0.00 H new ATOM 0 HH11 ARG A 114 89.215 29.486 -20.845 1.00 0.00 H new ATOM 0 HH12 ARG A 114 90.546 28.984 -21.893 1.00 0.00 H new ATOM 0 HH21 ARG A 114 88.972 26.151 -23.066 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.414 27.172 -23.099 1.00 0.00 H new TER 1531 ARG A 114