USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 848 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 29 LYS NZ :NH3+ -106:sc= 0.319 (180deg=0) USER MOD Set 1.2: A 112 SER OG : rot 180:sc= 0.308 USER MOD Set 2.1: A 59 SER OG : rot -157:sc= 0.162 USER MOD Set 2.2: A 63 GLN : amide:sc= -0.257 X(o=-0.095,f=0.34) USER MOD Set 3.1: A 33 THR OG1 : rot 180:sc= 0.921 USER MOD Set 3.2: A 75 THR OG1 : rot -47:sc= 1.07 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 26:sc= 0.415 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -4:sc= 0.982 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.259 X(o=0.26,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -160:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.899) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00649 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.594 USER MOD Single : A 30 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.9!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0304 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 105:sc= 0.0609 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 35:sc= 0.904 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.73!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.383 K(o=-0.38,f=-2.5!) USER MOD Single : A 61 SER OG : rot 82:sc= 0.552 USER MOD Single : A 64 THR OG1 : rot 61:sc= 0.0753 USER MOD Single : A 67 ASN : amide:sc= 0.147 K(o=0.15,f=-1.8!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.981 K(o=0.98,f=-6.5!) USER MOD Single : A 83 THR OG1 : rot 70:sc= 0.939 USER MOD Single : A 85 TYR OH : rot 180:sc= 0.568 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.867 K(o=-0.87,f=-6!) USER MOD Single : A 95 GLN : amide:sc= -0.103 K(o=-0.1,f=-1) USER MOD Single : A 98 SER OG : rot 76:sc= 2 USER MOD Single : A 101 SER OG : rot 78:sc= 1.38 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 62:sc= 0.427 USER MOD Single : A 109 THR OG1 : rot -164:sc= 1.69 USER MOD Single : A 110 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.8!) USER MOD Single : A 115 SER OG : rot -12:sc= 1.05 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.961 18.290 0.075 1.00 0.00 N ATOM 2 CA GLY A 1 9.673 17.633 1.176 1.00 0.00 C ATOM 3 C GLY A 1 8.828 17.644 2.436 1.00 0.00 C ATOM 4 O GLY A 1 7.626 17.383 2.372 1.00 0.00 O ATOM 0 H1 GLY A 1 9.079 17.734 -0.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.950 18.358 0.307 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.349 19.244 -0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.913 16.606 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.619 18.142 1.361 1.00 0.00 H new ATOM 8 N SER A 2 9.452 17.984 3.567 1.00 0.00 N ATOM 9 CA SER A 2 8.824 18.191 4.866 1.00 0.00 C ATOM 10 C SER A 2 8.240 16.902 5.440 1.00 0.00 C ATOM 11 O SER A 2 7.034 16.670 5.368 1.00 0.00 O ATOM 12 CB SER A 2 7.798 19.327 4.794 1.00 0.00 C ATOM 13 OG SER A 2 8.388 20.487 4.237 1.00 0.00 O ATOM 0 H SER A 2 10.461 18.129 3.598 1.00 0.00 H new ATOM 0 HA SER A 2 9.600 18.497 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.945 19.018 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.418 19.547 5.792 1.00 0.00 H new ATOM 0 HG SER A 2 7.722 21.205 4.195 1.00 0.00 H new ATOM 19 N SER A 3 9.096 16.085 6.054 1.00 0.00 N ATOM 20 CA SER A 3 8.683 14.997 6.926 1.00 0.00 C ATOM 21 C SER A 3 9.685 14.842 8.058 1.00 0.00 C ATOM 22 O SER A 3 10.872 15.156 7.905 1.00 0.00 O ATOM 23 CB SER A 3 8.544 13.694 6.135 1.00 0.00 C ATOM 24 OG SER A 3 7.292 13.697 5.487 1.00 0.00 O ATOM 0 H SER A 3 10.108 16.165 5.955 1.00 0.00 H new ATOM 0 HA SER A 3 7.707 15.232 7.351 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.348 13.606 5.405 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.624 12.835 6.802 1.00 0.00 H new ATOM 0 HG SER A 3 7.001 14.621 5.343 1.00 0.00 H new ATOM 30 N GLY A 4 9.197 14.325 9.184 1.00 0.00 N ATOM 31 CA GLY A 4 10.005 13.985 10.335 1.00 0.00 C ATOM 32 C GLY A 4 10.788 12.700 10.081 1.00 0.00 C ATOM 33 O GLY A 4 10.493 11.928 9.167 1.00 0.00 O ATOM 0 H GLY A 4 8.205 14.129 9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.695 14.800 10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.367 13.862 11.210 1.00 0.00 H new ATOM 37 N SER A 5 11.762 12.449 10.945 1.00 0.00 N ATOM 38 CA SER A 5 12.720 11.360 10.883 1.00 0.00 C ATOM 39 C SER A 5 12.803 10.823 12.309 1.00 0.00 C ATOM 40 O SER A 5 13.384 11.485 13.176 1.00 0.00 O ATOM 41 CB SER A 5 14.039 11.950 10.353 1.00 0.00 C ATOM 42 OG SER A 5 15.172 11.144 10.586 1.00 0.00 O ATOM 0 H SER A 5 11.911 13.042 11.761 1.00 0.00 H new ATOM 0 HA SER A 5 12.456 10.538 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.942 12.119 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.199 12.924 10.816 1.00 0.00 H new ATOM 0 HG SER A 5 15.967 11.584 10.220 1.00 0.00 H new ATOM 48 N SER A 6 12.115 9.720 12.618 1.00 0.00 N ATOM 49 CA SER A 6 12.098 9.096 13.947 1.00 0.00 C ATOM 50 C SER A 6 11.811 7.580 13.887 1.00 0.00 C ATOM 51 O SER A 6 11.504 6.968 14.917 1.00 0.00 O ATOM 52 CB SER A 6 11.090 9.831 14.847 1.00 0.00 C ATOM 53 OG SER A 6 11.536 11.155 15.086 1.00 0.00 O ATOM 0 H SER A 6 11.541 9.224 11.936 1.00 0.00 H new ATOM 0 HA SER A 6 13.095 9.191 14.378 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.109 9.848 14.372 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.977 9.299 15.792 1.00 0.00 H new ATOM 0 HG SER A 6 12.415 11.283 14.673 1.00 0.00 H new ATOM 59 N GLY A 7 11.914 6.954 12.713 1.00 0.00 N ATOM 60 CA GLY A 7 11.642 5.544 12.480 1.00 0.00 C ATOM 61 C GLY A 7 12.927 4.745 12.563 1.00 0.00 C ATOM 62 O GLY A 7 13.562 4.501 11.537 1.00 0.00 O ATOM 0 H GLY A 7 12.202 7.442 11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.928 5.177 13.217 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.185 5.411 11.500 1.00 0.00 H new ATOM 66 N LYS A 8 13.352 4.378 13.773 1.00 0.00 N ATOM 67 CA LYS A 8 14.585 3.623 13.997 1.00 0.00 C ATOM 68 C LYS A 8 14.396 2.150 13.626 1.00 0.00 C ATOM 69 O LYS A 8 14.273 1.267 14.479 1.00 0.00 O ATOM 70 CB LYS A 8 15.158 3.863 15.406 1.00 0.00 C ATOM 71 CG LYS A 8 14.146 3.804 16.555 1.00 0.00 C ATOM 72 CD LYS A 8 14.858 4.090 17.881 1.00 0.00 C ATOM 73 CE LYS A 8 13.870 4.303 19.031 1.00 0.00 C ATOM 74 NZ LYS A 8 13.069 3.105 19.336 1.00 0.00 N ATOM 0 H LYS A 8 12.846 4.598 14.631 1.00 0.00 H new ATOM 0 HA LYS A 8 15.355 3.999 13.324 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.935 3.122 15.593 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.639 4.841 15.420 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.352 4.533 16.392 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.675 2.822 16.588 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.521 3.259 18.122 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.484 4.976 17.772 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.420 4.602 19.923 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.201 5.125 18.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.420 3.312 20.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.520 2.832 18.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.701 2.324 19.605 1.00 0.00 H new ATOM 88 N ASN A 9 14.364 1.877 12.329 1.00 0.00 N ATOM 89 CA ASN A 9 14.462 0.579 11.689 1.00 0.00 C ATOM 90 C ASN A 9 15.570 0.735 10.648 1.00 0.00 C ATOM 91 O ASN A 9 15.853 1.851 10.204 1.00 0.00 O ATOM 92 CB ASN A 9 13.128 0.201 11.017 1.00 0.00 C ATOM 93 CG ASN A 9 12.108 -0.529 11.881 1.00 0.00 C ATOM 94 OD1 ASN A 9 11.286 -1.264 11.343 1.00 0.00 O ATOM 95 ND2 ASN A 9 12.085 -0.359 13.192 1.00 0.00 N ATOM 0 H ASN A 9 14.260 2.624 11.642 1.00 0.00 H new ATOM 0 HA ASN A 9 14.682 -0.215 12.403 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.665 1.114 10.643 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.348 -0.423 10.151 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.384 -0.839 13.756 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.768 0.252 13.639 1.00 0.00 H new ATOM 102 N TYR A 10 16.180 -0.373 10.235 1.00 0.00 N ATOM 103 CA TYR A 10 16.829 -0.415 8.926 1.00 0.00 C ATOM 104 C TYR A 10 15.730 -0.357 7.863 1.00 0.00 C ATOM 105 O TYR A 10 14.586 -0.717 8.151 1.00 0.00 O ATOM 106 CB TYR A 10 17.667 -1.690 8.779 1.00 0.00 C ATOM 107 CG TYR A 10 18.993 -1.625 9.512 1.00 0.00 C ATOM 108 CD1 TYR A 10 20.092 -0.999 8.893 1.00 0.00 C ATOM 109 CD2 TYR A 10 19.140 -2.191 10.793 1.00 0.00 C ATOM 110 CE1 TYR A 10 21.336 -0.940 9.543 1.00 0.00 C ATOM 111 CE2 TYR A 10 20.388 -2.151 11.442 1.00 0.00 C ATOM 112 CZ TYR A 10 21.491 -1.522 10.821 1.00 0.00 C ATOM 113 OH TYR A 10 22.686 -1.468 11.467 1.00 0.00 O ATOM 0 H TYR A 10 16.239 -1.237 10.774 1.00 0.00 H new ATOM 0 HA TYR A 10 17.508 0.429 8.810 1.00 0.00 H new ATOM 0 HB2 TYR A 10 17.094 -2.538 9.154 1.00 0.00 H new ATOM 0 HB3 TYR A 10 17.853 -1.874 7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 10 19.978 -0.561 7.912 1.00 0.00 H new ATOM 0 HD2 TYR A 10 18.294 -2.656 11.278 1.00 0.00 H new ATOM 0 HE1 TYR A 10 22.173 -0.451 9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 10 20.503 -2.602 12.417 1.00 0.00 H new ATOM 0 HH TYR A 10 22.610 -1.918 12.334 1.00 0.00 H new ATOM 123 N ASP A 11 16.054 0.080 6.645 1.00 0.00 N ATOM 124 CA ASP A 11 15.022 0.155 5.615 1.00 0.00 C ATOM 125 C ASP A 11 14.570 -1.254 5.240 1.00 0.00 C ATOM 126 O ASP A 11 15.289 -2.237 5.447 1.00 0.00 O ATOM 127 CB ASP A 11 15.492 0.939 4.386 1.00 0.00 C ATOM 128 CG ASP A 11 14.361 1.709 3.697 1.00 0.00 C ATOM 129 OD1 ASP A 11 13.163 1.367 3.853 1.00 0.00 O ATOM 130 OD2 ASP A 11 14.669 2.749 3.073 1.00 0.00 O ATOM 0 H ASP A 11 16.986 0.377 6.356 1.00 0.00 H new ATOM 0 HA ASP A 11 14.172 0.703 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 11 16.271 1.640 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 11 15.941 0.249 3.672 1.00 0.00 H new ATOM 135 N LEU A 12 13.366 -1.358 4.692 1.00 0.00 N ATOM 136 CA LEU A 12 12.649 -2.592 4.482 1.00 0.00 C ATOM 137 C LEU A 12 12.456 -2.748 2.972 1.00 0.00 C ATOM 138 O LEU A 12 13.416 -2.603 2.215 1.00 0.00 O ATOM 139 CB LEU A 12 11.348 -2.568 5.310 1.00 0.00 C ATOM 140 CG LEU A 12 11.484 -2.328 6.832 1.00 0.00 C ATOM 141 CD1 LEU A 12 10.105 -2.476 7.486 1.00 0.00 C ATOM 142 CD2 LEU A 12 12.438 -3.288 7.549 1.00 0.00 C ATOM 0 H LEU A 12 12.846 -0.542 4.370 1.00 0.00 H new ATOM 0 HA LEU A 12 13.190 -3.472 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.702 -1.791 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.836 -3.519 5.162 1.00 0.00 H new ATOM 0 HG LEU A 12 11.900 -1.326 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.192 -2.308 8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.419 -1.744 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.723 -3.481 7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.470 -3.044 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.087 -4.312 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.438 -3.192 7.125 1.00 0.00 H new ATOM 154 N SER A 13 11.242 -3.065 2.534 1.00 0.00 N ATOM 155 CA SER A 13 10.941 -3.435 1.162 1.00 0.00 C ATOM 156 C SER A 13 11.124 -2.260 0.201 1.00 0.00 C ATOM 157 O SER A 13 10.975 -1.091 0.577 1.00 0.00 O ATOM 158 CB SER A 13 9.501 -3.954 1.091 1.00 0.00 C ATOM 159 OG SER A 13 9.263 -4.948 2.072 1.00 0.00 O ATOM 0 H SER A 13 10.422 -3.071 3.141 1.00 0.00 H new ATOM 0 HA SER A 13 11.639 -4.214 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.806 -3.126 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.309 -4.365 0.100 1.00 0.00 H new ATOM 0 HG SER A 13 8.336 -5.259 2.004 1.00 0.00 H new ATOM 165 N ASP A 14 11.323 -2.575 -1.079 1.00 0.00 N ATOM 166 CA ASP A 14 11.503 -1.621 -2.179 1.00 0.00 C ATOM 167 C ASP A 14 10.186 -0.922 -2.576 1.00 0.00 C ATOM 168 O ASP A 14 10.056 -0.393 -3.685 1.00 0.00 O ATOM 169 CB ASP A 14 12.108 -2.332 -3.401 1.00 0.00 C ATOM 170 CG ASP A 14 13.468 -2.968 -3.138 1.00 0.00 C ATOM 171 OD1 ASP A 14 13.531 -4.128 -2.679 1.00 0.00 O ATOM 172 OD2 ASP A 14 14.509 -2.319 -3.385 1.00 0.00 O ATOM 0 H ASP A 14 11.365 -3.544 -1.394 1.00 0.00 H new ATOM 0 HA ASP A 14 12.186 -0.848 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.417 -3.104 -3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.206 -1.614 -4.215 1.00 0.00 H new ATOM 177 N LEU A 15 9.176 -0.949 -1.704 1.00 0.00 N ATOM 178 CA LEU A 15 7.818 -0.495 -1.967 1.00 0.00 C ATOM 179 C LEU A 15 7.560 0.848 -1.259 1.00 0.00 C ATOM 180 O LEU A 15 8.144 1.073 -0.191 1.00 0.00 O ATOM 181 CB LEU A 15 6.818 -1.577 -1.508 1.00 0.00 C ATOM 182 CG LEU A 15 6.986 -2.939 -2.218 1.00 0.00 C ATOM 183 CD1 LEU A 15 5.960 -3.949 -1.706 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.788 -2.826 -3.728 1.00 0.00 C ATOM 0 H LEU A 15 9.292 -1.304 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 15 7.684 -0.334 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.928 -1.724 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.804 -1.214 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 15 8.002 -3.268 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.098 -4.900 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.095 -4.093 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.954 -3.575 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.915 -3.807 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.784 -2.456 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.523 -2.135 -4.141 1.00 0.00 H new ATOM 196 N PRO A 16 6.711 1.725 -1.833 1.00 0.00 N ATOM 197 CA PRO A 16 6.408 3.058 -1.320 1.00 0.00 C ATOM 198 C PRO A 16 5.748 3.043 0.057 1.00 0.00 C ATOM 199 O PRO A 16 5.101 2.060 0.433 1.00 0.00 O ATOM 200 CB PRO A 16 5.446 3.709 -2.325 1.00 0.00 C ATOM 201 CG PRO A 16 5.145 2.666 -3.396 1.00 0.00 C ATOM 202 CD PRO A 16 6.110 1.523 -3.135 1.00 0.00 C ATOM 0 HA PRO A 16 7.343 3.606 -1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.529 4.028 -1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.895 4.598 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.111 2.328 -3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.286 3.078 -4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.585 0.568 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.879 1.491 -3.907 1.00 0.00 H new ATOM 210 N GLY A 17 5.827 4.172 0.763 1.00 0.00 N ATOM 211 CA GLY A 17 5.160 4.405 2.035 1.00 0.00 C ATOM 212 C GLY A 17 3.640 4.248 1.902 1.00 0.00 C ATOM 213 O GLY A 17 3.072 4.666 0.882 1.00 0.00 O ATOM 0 H GLY A 17 6.376 4.973 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.537 3.704 2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.395 5.407 2.393 1.00 0.00 H new ATOM 217 N PRO A 18 2.951 3.673 2.903 1.00 0.00 N ATOM 218 CA PRO A 18 1.509 3.488 2.847 1.00 0.00 C ATOM 219 C PRO A 18 0.782 4.843 2.875 1.00 0.00 C ATOM 220 O PRO A 18 1.261 5.789 3.505 1.00 0.00 O ATOM 221 CB PRO A 18 1.137 2.617 4.047 1.00 0.00 C ATOM 222 CG PRO A 18 2.326 2.722 5.001 1.00 0.00 C ATOM 223 CD PRO A 18 3.504 3.194 4.155 1.00 0.00 C ATOM 0 HA PRO A 18 1.206 3.004 1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.220 2.969 4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.964 1.584 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.118 3.425 5.807 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.540 1.759 5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.053 3.986 4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.207 2.379 3.981 1.00 0.00 H new ATOM 231 N PRO A 19 -0.377 4.970 2.207 1.00 0.00 N ATOM 232 CA PRO A 19 -1.197 6.175 2.278 1.00 0.00 C ATOM 233 C PRO A 19 -1.697 6.458 3.697 1.00 0.00 C ATOM 234 O PRO A 19 -1.685 5.582 4.570 1.00 0.00 O ATOM 235 CB PRO A 19 -2.372 5.952 1.319 1.00 0.00 C ATOM 236 CG PRO A 19 -1.899 4.814 0.416 1.00 0.00 C ATOM 237 CD PRO A 19 -0.962 4.004 1.295 1.00 0.00 C ATOM 0 HA PRO A 19 -0.607 7.048 1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.281 5.684 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.595 6.851 0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.736 4.211 0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.387 5.194 -0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.501 3.226 1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.195 3.506 0.701 1.00 0.00 H new ATOM 245 N SER A 20 -2.176 7.681 3.912 1.00 0.00 N ATOM 246 CA SER A 20 -2.763 8.109 5.175 1.00 0.00 C ATOM 247 C SER A 20 -4.172 7.507 5.333 1.00 0.00 C ATOM 248 O SER A 20 -4.727 6.981 4.366 1.00 0.00 O ATOM 249 CB SER A 20 -2.787 9.638 5.161 1.00 0.00 C ATOM 250 OG SER A 20 -1.472 10.157 5.018 1.00 0.00 O ATOM 0 H SER A 20 -2.166 8.412 3.201 1.00 0.00 H new ATOM 0 HA SER A 20 -2.181 7.761 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.414 9.990 4.342 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.232 10.009 6.085 1.00 0.00 H new ATOM 0 HG SER A 20 -1.453 11.088 5.322 1.00 0.00 H new ATOM 256 N LYS A 21 -4.777 7.580 6.531 1.00 0.00 N ATOM 257 CA LYS A 21 -6.157 7.127 6.726 1.00 0.00 C ATOM 258 C LYS A 21 -7.079 7.931 5.798 1.00 0.00 C ATOM 259 O LYS A 21 -7.170 9.144 6.009 1.00 0.00 O ATOM 260 CB LYS A 21 -6.610 7.312 8.190 1.00 0.00 C ATOM 261 CG LYS A 21 -7.972 6.626 8.406 1.00 0.00 C ATOM 262 CD LYS A 21 -8.826 7.201 9.541 1.00 0.00 C ATOM 263 CE LYS A 21 -10.205 6.536 9.497 1.00 0.00 C ATOM 264 NZ LYS A 21 -11.124 7.046 10.529 1.00 0.00 N ATOM 0 H LYS A 21 -4.332 7.947 7.372 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.210 6.064 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.868 6.888 8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.686 8.374 8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.542 6.688 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.799 5.568 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.348 7.019 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.923 8.281 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.648 6.695 8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.087 5.460 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.107 6.908 10.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.967 6.531 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.948 8.060 10.680 1.00 0.00 H new ATOM 278 N PRO A 22 -7.790 7.315 4.838 1.00 0.00 N ATOM 279 CA PRO A 22 -8.782 8.043 4.071 1.00 0.00 C ATOM 280 C PRO A 22 -9.946 8.484 4.953 1.00 0.00 C ATOM 281 O PRO A 22 -10.241 7.874 5.982 1.00 0.00 O ATOM 282 CB PRO A 22 -9.239 7.095 2.957 1.00 0.00 C ATOM 283 CG PRO A 22 -8.985 5.715 3.557 1.00 0.00 C ATOM 284 CD PRO A 22 -7.775 5.908 4.466 1.00 0.00 C ATOM 0 HA PRO A 22 -8.366 8.959 3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.290 7.240 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.671 7.247 2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.850 5.361 4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.784 4.976 2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.839 5.268 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.851 5.648 3.950 1.00 0.00 H new ATOM 292 N GLN A 23 -10.636 9.517 4.486 1.00 0.00 N ATOM 293 CA GLN A 23 -11.822 10.104 5.073 1.00 0.00 C ATOM 294 C GLN A 23 -12.928 10.109 4.060 1.00 0.00 C ATOM 295 O GLN A 23 -12.700 10.314 2.866 1.00 0.00 O ATOM 296 CB GLN A 23 -11.584 11.558 5.495 1.00 0.00 C ATOM 297 CG GLN A 23 -10.484 11.566 6.544 1.00 0.00 C ATOM 298 CD GLN A 23 -10.556 12.722 7.536 1.00 0.00 C ATOM 299 OE1 GLN A 23 -11.124 13.782 7.283 1.00 0.00 O ATOM 300 NE2 GLN A 23 -10.020 12.512 8.721 1.00 0.00 N ATOM 0 H GLN A 23 -10.358 9.995 3.629 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.080 9.509 5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -11.296 12.162 4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.499 11.993 5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.522 10.628 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.519 11.599 6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.551 11.628 8.919 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.074 13.233 9.440 1.00 0.00 H new ATOM 309 N VAL A 24 -14.140 9.950 4.550 1.00 0.00 N ATOM 310 CA VAL A 24 -15.320 9.862 3.765 1.00 0.00 C ATOM 311 C VAL A 24 -15.970 11.247 3.717 1.00 0.00 C ATOM 312 O VAL A 24 -16.003 11.967 4.722 1.00 0.00 O ATOM 313 CB VAL A 24 -16.146 8.750 4.416 1.00 0.00 C ATOM 314 CG1 VAL A 24 -15.320 7.522 4.827 1.00 0.00 C ATOM 315 CG2 VAL A 24 -17.031 9.204 5.571 1.00 0.00 C ATOM 0 H VAL A 24 -14.320 9.877 5.551 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.173 9.596 2.718 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.814 8.448 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -15.975 6.778 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -14.841 7.095 3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.557 7.821 5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.578 8.349 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.411 9.635 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.738 9.953 5.215 1.00 0.00 H new ATOM 325 N THR A 25 -16.471 11.635 2.552 1.00 0.00 N ATOM 326 CA THR A 25 -17.107 12.944 2.361 1.00 0.00 C ATOM 327 C THR A 25 -18.479 12.783 1.711 1.00 0.00 C ATOM 328 O THR A 25 -19.481 12.834 2.425 1.00 0.00 O ATOM 329 CB THR A 25 -16.161 13.969 1.692 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.649 13.550 0.441 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.964 14.289 2.595 1.00 0.00 C ATOM 0 H THR A 25 -16.451 11.058 1.711 1.00 0.00 H new ATOM 0 HA THR A 25 -17.303 13.392 3.335 1.00 0.00 H new ATOM 0 HB THR A 25 -16.784 14.849 1.531 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.063 14.246 0.078 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.317 15.012 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.320 14.707 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.403 13.376 2.793 1.00 0.00 H new ATOM 339 N ASP A 26 -18.545 12.593 0.395 1.00 0.00 N ATOM 340 CA ASP A 26 -19.781 12.261 -0.308 1.00 0.00 C ATOM 341 C ASP A 26 -20.179 10.831 0.038 1.00 0.00 C ATOM 342 O ASP A 26 -19.341 9.938 -0.075 1.00 0.00 O ATOM 343 CB ASP A 26 -19.594 12.396 -1.820 1.00 0.00 C ATOM 344 CG ASP A 26 -20.798 11.909 -2.619 1.00 0.00 C ATOM 345 OD1 ASP A 26 -21.833 12.610 -2.623 1.00 0.00 O ATOM 346 OD2 ASP A 26 -20.670 10.879 -3.315 1.00 0.00 O ATOM 0 H ASP A 26 -17.734 12.666 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.565 12.951 0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.402 13.441 -2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.712 11.831 -2.123 1.00 0.00 H new ATOM 351 N VAL A 27 -21.430 10.593 0.423 1.00 0.00 N ATOM 352 CA VAL A 27 -22.016 9.257 0.469 1.00 0.00 C ATOM 353 C VAL A 27 -23.451 9.330 -0.043 1.00 0.00 C ATOM 354 O VAL A 27 -24.200 10.250 0.298 1.00 0.00 O ATOM 355 CB VAL A 27 -21.877 8.627 1.871 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.565 9.403 2.997 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.422 7.192 1.889 1.00 0.00 C ATOM 0 H VAL A 27 -22.072 11.330 0.715 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.469 8.582 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.805 8.651 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.412 8.883 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.140 10.405 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.633 9.474 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.311 6.773 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.477 7.200 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.866 6.583 1.177 1.00 0.00 H new ATOM 367 N THR A 28 -23.845 8.359 -0.871 1.00 0.00 N ATOM 368 CA THR A 28 -25.037 8.524 -1.708 1.00 0.00 C ATOM 369 C THR A 28 -26.175 7.559 -1.385 1.00 0.00 C ATOM 370 O THR A 28 -27.180 7.979 -0.815 1.00 0.00 O ATOM 371 CB THR A 28 -24.656 8.551 -3.204 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.222 7.278 -3.668 1.00 0.00 O ATOM 373 CG2 THR A 28 -23.530 9.542 -3.500 1.00 0.00 C ATOM 0 H THR A 28 -23.366 7.465 -0.980 1.00 0.00 H new ATOM 0 HA THR A 28 -25.458 9.498 -1.458 1.00 0.00 H new ATOM 0 HB THR A 28 -25.568 8.854 -3.719 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.992 7.337 -4.619 1.00 0.00 H new ATOM 0 HG21 THR A 28 -23.299 9.523 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 28 -23.844 10.546 -3.215 1.00 0.00 H new ATOM 0 HG23 THR A 28 -22.642 9.265 -2.932 1.00 0.00 H new ATOM 381 N LYS A 29 -26.006 6.299 -1.784 1.00 0.00 N ATOM 382 CA LYS A 29 -26.640 5.033 -1.408 1.00 0.00 C ATOM 383 C LYS A 29 -25.865 3.882 -2.065 1.00 0.00 C ATOM 384 O LYS A 29 -25.880 2.752 -1.574 1.00 0.00 O ATOM 385 CB LYS A 29 -28.100 4.994 -1.874 1.00 0.00 C ATOM 386 CG LYS A 29 -28.222 4.880 -3.403 1.00 0.00 C ATOM 387 CD LYS A 29 -29.434 5.623 -3.915 1.00 0.00 C ATOM 388 CE LYS A 29 -29.684 5.365 -5.391 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.594 4.229 -5.632 1.00 0.00 N ATOM 0 H LYS A 29 -25.302 6.115 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.624 4.935 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.605 4.148 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.611 5.896 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.323 5.280 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.290 3.830 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.311 5.323 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.298 6.692 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -30.104 6.263 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -28.733 5.173 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.048 3.414 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.073 3.974 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -31.303 4.497 -6.344 1.00 0.00 H new ATOM 403 N ASN A 30 -25.250 4.145 -3.229 1.00 0.00 N ATOM 404 CA ASN A 30 -24.507 3.186 -4.037 1.00 0.00 C ATOM 405 C ASN A 30 -23.019 3.504 -3.983 1.00 0.00 C ATOM 406 O ASN A 30 -22.220 2.665 -4.390 1.00 0.00 O ATOM 407 CB ASN A 30 -24.909 3.210 -5.528 1.00 0.00 C ATOM 408 CG ASN A 30 -26.388 3.293 -5.871 1.00 0.00 C ATOM 409 OD1 ASN A 30 -26.826 4.202 -6.563 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.192 2.344 -5.444 1.00 0.00 N ATOM 0 H ASN A 30 -25.262 5.076 -3.645 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.737 2.206 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -24.411 4.060 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -24.508 2.311 -5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -28.182 2.365 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -26.826 1.587 -4.867 1.00 0.00 H new ATOM 417 N SER A 31 -22.638 4.697 -3.530 1.00 0.00 N ATOM 418 CA SER A 31 -21.289 5.199 -3.677 1.00 0.00 C ATOM 419 C SER A 31 -20.882 5.971 -2.436 1.00 0.00 C ATOM 420 O SER A 31 -21.733 6.415 -1.656 1.00 0.00 O ATOM 421 CB SER A 31 -21.226 6.086 -4.925 1.00 0.00 C ATOM 422 OG SER A 31 -21.674 5.344 -6.046 1.00 0.00 O ATOM 0 H SER A 31 -23.267 5.340 -3.049 1.00 0.00 H new ATOM 0 HA SER A 31 -20.592 4.370 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.847 6.972 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.206 6.434 -5.088 1.00 0.00 H new ATOM 0 HG SER A 31 -21.637 5.907 -6.847 1.00 0.00 H new ATOM 428 N VAL A 32 -19.579 6.114 -2.251 1.00 0.00 N ATOM 429 CA VAL A 32 -19.000 6.926 -1.204 1.00 0.00 C ATOM 430 C VAL A 32 -17.625 7.380 -1.696 1.00 0.00 C ATOM 431 O VAL A 32 -16.826 6.563 -2.165 1.00 0.00 O ATOM 432 CB VAL A 32 -18.977 6.160 0.140 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.500 4.721 0.061 1.00 0.00 C ATOM 434 CG2 VAL A 32 -18.201 6.941 1.179 1.00 0.00 C ATOM 0 H VAL A 32 -18.883 5.657 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.599 7.813 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 32 -20.021 6.079 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.522 4.275 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -19.154 4.157 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.481 4.696 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.194 6.389 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.177 7.086 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.673 7.912 1.332 1.00 0.00 H new ATOM 444 N THR A 33 -17.366 8.679 -1.622 1.00 0.00 N ATOM 445 CA THR A 33 -16.094 9.285 -1.977 1.00 0.00 C ATOM 446 C THR A 33 -15.149 9.249 -0.787 1.00 0.00 C ATOM 447 O THR A 33 -15.519 9.547 0.353 1.00 0.00 O ATOM 448 CB THR A 33 -16.326 10.705 -2.510 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.058 10.586 -3.720 1.00 0.00 O ATOM 450 CG2 THR A 33 -15.036 11.468 -2.825 1.00 0.00 C ATOM 0 H THR A 33 -18.057 9.358 -1.304 1.00 0.00 H new ATOM 0 HA THR A 33 -15.618 8.716 -2.776 1.00 0.00 H new ATOM 0 HB THR A 33 -16.848 11.264 -1.733 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.226 11.478 -4.090 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.283 12.462 -3.197 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.436 11.558 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.470 10.928 -3.583 1.00 0.00 H new ATOM 458 N LEU A 34 -13.893 8.937 -1.084 1.00 0.00 N ATOM 459 CA LEU A 34 -12.770 8.849 -0.173 1.00 0.00 C ATOM 460 C LEU A 34 -11.800 9.964 -0.518 1.00 0.00 C ATOM 461 O LEU A 34 -11.576 10.211 -1.700 1.00 0.00 O ATOM 462 CB LEU A 34 -12.101 7.486 -0.366 1.00 0.00 C ATOM 463 CG LEU A 34 -12.984 6.336 0.113 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.350 4.992 -0.224 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.189 6.431 1.619 1.00 0.00 C ATOM 0 H LEU A 34 -13.618 8.724 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.088 8.949 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.865 7.345 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.156 7.467 0.177 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.946 6.410 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.996 4.187 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.222 4.911 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.378 4.916 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.820 5.607 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.224 6.376 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.671 7.378 1.862 1.00 0.00 H new ATOM 477 N SER A 35 -11.203 10.574 0.501 1.00 0.00 N ATOM 478 CA SER A 35 -10.168 11.595 0.426 1.00 0.00 C ATOM 479 C SER A 35 -9.041 11.200 1.352 1.00 0.00 C ATOM 480 O SER A 35 -9.274 10.833 2.501 1.00 0.00 O ATOM 481 CB SER A 35 -10.735 12.933 0.869 1.00 0.00 C ATOM 482 OG SER A 35 -9.787 13.979 0.876 1.00 0.00 O ATOM 0 H SER A 35 -11.447 10.352 1.466 1.00 0.00 H new ATOM 0 HA SER A 35 -9.805 11.683 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.558 13.205 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.152 12.827 1.870 1.00 0.00 H new ATOM 0 HG SER A 35 -10.218 14.809 1.168 1.00 0.00 H new ATOM 488 N TRP A 36 -7.825 11.210 0.839 1.00 0.00 N ATOM 489 CA TRP A 36 -6.623 10.930 1.625 1.00 0.00 C ATOM 490 C TRP A 36 -5.458 11.844 1.244 1.00 0.00 C ATOM 491 O TRP A 36 -5.498 12.555 0.235 1.00 0.00 O ATOM 492 CB TRP A 36 -6.275 9.439 1.525 1.00 0.00 C ATOM 493 CG TRP A 36 -6.041 8.932 0.142 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.836 8.738 -0.437 1.00 0.00 C ATOM 495 CD2 TRP A 36 -7.039 8.603 -0.877 1.00 0.00 C ATOM 496 NE1 TRP A 36 -5.037 8.354 -1.735 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.360 8.250 -2.072 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.448 8.581 -0.930 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -7.023 7.914 -3.263 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -9.126 8.270 -2.122 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.420 7.939 -3.287 1.00 0.00 C ATOM 0 H TRP A 36 -7.635 11.414 -0.142 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.829 11.154 2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.381 9.250 2.120 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.084 8.863 1.974 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.877 8.864 0.043 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.276 8.164 -2.387 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -9.016 8.807 -0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.463 7.641 -4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.206 8.286 -2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.952 7.705 -4.197 1.00 0.00 H new ATOM 512 N GLN A 37 -4.385 11.796 2.035 1.00 0.00 N ATOM 513 CA GLN A 37 -3.082 12.322 1.678 1.00 0.00 C ATOM 514 C GLN A 37 -2.200 11.165 1.189 1.00 0.00 C ATOM 515 O GLN A 37 -2.319 10.037 1.688 1.00 0.00 O ATOM 516 CB GLN A 37 -2.430 13.028 2.875 1.00 0.00 C ATOM 517 CG GLN A 37 -3.141 14.347 3.203 1.00 0.00 C ATOM 518 CD GLN A 37 -2.344 15.170 4.207 1.00 0.00 C ATOM 519 OE1 GLN A 37 -1.806 16.223 3.874 1.00 0.00 O ATOM 520 NE2 GLN A 37 -2.228 14.722 5.446 1.00 0.00 N ATOM 0 H GLN A 37 -4.407 11.377 2.965 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.195 13.060 0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.457 12.372 3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.380 13.224 2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.283 14.923 2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.132 14.138 3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.677 13.847 5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.689 15.252 6.131 1.00 0.00 H new ATOM 529 N PRO A 38 -1.322 11.440 0.215 1.00 0.00 N ATOM 530 CA PRO A 38 -0.408 10.474 -0.363 1.00 0.00 C ATOM 531 C PRO A 38 0.790 10.284 0.569 1.00 0.00 C ATOM 532 O PRO A 38 1.344 11.262 1.081 1.00 0.00 O ATOM 533 CB PRO A 38 0.019 11.105 -1.694 1.00 0.00 C ATOM 534 CG PRO A 38 -0.056 12.609 -1.436 1.00 0.00 C ATOM 535 CD PRO A 38 -1.166 12.742 -0.408 1.00 0.00 C ATOM 0 HA PRO A 38 -0.853 9.490 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.027 10.799 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.643 10.807 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.889 12.998 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.286 13.161 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.915 13.498 0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.096 13.057 -0.882 1.00 0.00 H new ATOM 543 N GLY A 39 1.247 9.043 0.729 1.00 0.00 N ATOM 544 CA GLY A 39 2.530 8.753 1.324 1.00 0.00 C ATOM 545 C GLY A 39 3.633 9.056 0.316 1.00 0.00 C ATOM 546 O GLY A 39 3.408 9.503 -0.817 1.00 0.00 O ATOM 0 H GLY A 39 0.727 8.213 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.670 9.351 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.575 7.707 1.626 1.00 0.00 H new ATOM 550 N THR A 40 4.851 8.807 0.751 1.00 0.00 N ATOM 551 CA THR A 40 6.102 9.114 0.118 1.00 0.00 C ATOM 552 C THR A 40 6.504 7.980 -0.839 1.00 0.00 C ATOM 553 O THR A 40 6.138 6.821 -0.619 1.00 0.00 O ATOM 554 CB THR A 40 7.119 9.244 1.264 1.00 0.00 C ATOM 555 OG1 THR A 40 6.589 10.008 2.338 1.00 0.00 O ATOM 556 CG2 THR A 40 8.378 9.952 0.816 1.00 0.00 C ATOM 0 H THR A 40 4.995 8.338 1.645 1.00 0.00 H new ATOM 0 HA THR A 40 6.048 10.027 -0.476 1.00 0.00 H new ATOM 0 HB THR A 40 7.342 8.225 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.256 10.073 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.072 10.025 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.843 9.390 0.007 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.127 10.953 0.465 1.00 0.00 H new ATOM 564 N PRO A 41 7.248 8.300 -1.902 1.00 0.00 N ATOM 565 CA PRO A 41 7.999 7.346 -2.704 1.00 0.00 C ATOM 566 C PRO A 41 9.267 6.868 -1.981 1.00 0.00 C ATOM 567 O PRO A 41 9.545 7.258 -0.842 1.00 0.00 O ATOM 568 CB PRO A 41 8.351 8.105 -3.982 1.00 0.00 C ATOM 569 CG PRO A 41 8.363 9.566 -3.561 1.00 0.00 C ATOM 570 CD PRO A 41 7.343 9.639 -2.442 1.00 0.00 C ATOM 0 HA PRO A 41 7.420 6.444 -2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.320 7.796 -4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.617 7.923 -4.767 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.351 9.874 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.093 10.221 -4.389 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.655 10.348 -1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.377 9.979 -2.816 1.00 0.00 H new ATOM 578 N GLY A 42 10.083 6.073 -2.669 1.00 0.00 N ATOM 579 CA GLY A 42 11.348 5.569 -2.166 1.00 0.00 C ATOM 580 C GLY A 42 12.211 5.108 -3.331 1.00 0.00 C ATOM 581 O GLY A 42 12.410 5.856 -4.284 1.00 0.00 O ATOM 0 H GLY A 42 9.873 5.756 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.864 6.347 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.174 4.741 -1.479 1.00 0.00 H new ATOM 585 N THR A 43 12.678 3.866 -3.259 1.00 0.00 N ATOM 586 CA THR A 43 13.626 3.206 -4.146 1.00 0.00 C ATOM 587 C THR A 43 13.201 3.179 -5.613 1.00 0.00 C ATOM 588 O THR A 43 14.041 3.140 -6.519 1.00 0.00 O ATOM 589 CB THR A 43 13.739 1.770 -3.614 1.00 0.00 C ATOM 590 OG1 THR A 43 12.456 1.236 -3.334 1.00 0.00 O ATOM 591 CG2 THR A 43 14.547 1.695 -2.320 1.00 0.00 C ATOM 0 H THR A 43 12.375 3.241 -2.512 1.00 0.00 H new ATOM 0 HA THR A 43 14.567 3.756 -4.141 1.00 0.00 H new ATOM 0 HB THR A 43 14.242 1.200 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.209 0.594 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.599 0.660 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.555 2.070 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.064 2.302 -1.554 1.00 0.00 H new ATOM 599 N LEU A 44 11.894 3.133 -5.840 1.00 0.00 N ATOM 600 CA LEU A 44 11.270 3.109 -7.149 1.00 0.00 C ATOM 601 C LEU A 44 10.163 4.160 -7.198 1.00 0.00 C ATOM 602 O LEU A 44 9.731 4.651 -6.154 1.00 0.00 O ATOM 603 CB LEU A 44 10.722 1.696 -7.397 1.00 0.00 C ATOM 604 CG LEU A 44 11.801 0.665 -7.764 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.188 -0.738 -7.673 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.368 0.948 -9.165 1.00 0.00 C ATOM 0 H LEU A 44 11.214 3.111 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 44 11.990 3.347 -7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.199 1.357 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.986 1.738 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 44 12.636 0.733 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.942 -1.482 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.835 -0.916 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.350 -0.815 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.130 0.207 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.565 0.894 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.811 1.944 -9.184 1.00 0.00 H new ATOM 618 N PRO A 45 9.671 4.515 -8.390 1.00 0.00 N ATOM 619 CA PRO A 45 8.592 5.472 -8.546 1.00 0.00 C ATOM 620 C PRO A 45 7.245 4.769 -8.370 1.00 0.00 C ATOM 621 O PRO A 45 6.978 3.706 -8.933 1.00 0.00 O ATOM 622 CB PRO A 45 8.768 6.027 -9.959 1.00 0.00 C ATOM 623 CG PRO A 45 9.288 4.806 -10.709 1.00 0.00 C ATOM 624 CD PRO A 45 10.150 4.075 -9.687 1.00 0.00 C ATOM 0 HA PRO A 45 8.615 6.271 -7.805 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.829 6.393 -10.375 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.475 6.856 -9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.470 4.178 -11.062 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.869 5.095 -11.585 1.00 0.00 H new ATOM 0 HD2 PRO A 45 10.055 2.994 -9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.205 4.317 -9.819 1.00 0.00 H new ATOM 632 N ALA A 46 6.374 5.421 -7.617 1.00 0.00 N ATOM 633 CA ALA A 46 4.954 5.127 -7.564 1.00 0.00 C ATOM 634 C ALA A 46 4.360 5.377 -8.948 1.00 0.00 C ATOM 635 O ALA A 46 4.825 6.242 -9.701 1.00 0.00 O ATOM 636 CB ALA A 46 4.315 6.044 -6.534 1.00 0.00 C ATOM 0 H ALA A 46 6.646 6.193 -7.008 1.00 0.00 H new ATOM 0 HA ALA A 46 4.773 4.090 -7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.246 5.839 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.769 5.869 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.471 7.083 -6.825 1.00 0.00 H new ATOM 642 N SER A 47 3.315 4.634 -9.283 1.00 0.00 N ATOM 643 CA SER A 47 2.739 4.574 -10.612 1.00 0.00 C ATOM 644 C SER A 47 1.255 4.905 -10.525 1.00 0.00 C ATOM 645 O SER A 47 0.782 5.838 -11.185 1.00 0.00 O ATOM 646 CB SER A 47 3.024 3.177 -11.178 1.00 0.00 C ATOM 647 OG SER A 47 2.733 3.111 -12.561 1.00 0.00 O ATOM 0 H SER A 47 2.831 4.037 -8.612 1.00 0.00 H new ATOM 0 HA SER A 47 3.178 5.305 -11.291 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.071 2.922 -11.012 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.428 2.438 -10.643 1.00 0.00 H new ATOM 0 HG SER A 47 2.926 2.210 -12.893 1.00 0.00 H new ATOM 653 N ALA A 48 0.515 4.155 -9.715 1.00 0.00 N ATOM 654 CA ALA A 48 -0.913 4.344 -9.494 1.00 0.00 C ATOM 655 C ALA A 48 -1.218 3.820 -8.098 1.00 0.00 C ATOM 656 O ALA A 48 -0.316 3.360 -7.405 1.00 0.00 O ATOM 657 CB ALA A 48 -1.712 3.598 -10.571 1.00 0.00 C ATOM 0 H ALA A 48 0.903 3.378 -9.180 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.196 5.394 -9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.778 3.744 -10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.447 3.985 -11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.479 2.534 -10.525 1.00 0.00 H new ATOM 663 N TYR A 49 -2.477 3.839 -7.691 1.00 0.00 N ATOM 664 CA TYR A 49 -2.927 3.270 -6.433 1.00 0.00 C ATOM 665 C TYR A 49 -4.007 2.234 -6.710 1.00 0.00 C ATOM 666 O TYR A 49 -4.492 2.088 -7.836 1.00 0.00 O ATOM 667 CB TYR A 49 -3.438 4.400 -5.533 1.00 0.00 C ATOM 668 CG TYR A 49 -2.383 5.407 -5.114 1.00 0.00 C ATOM 669 CD1 TYR A 49 -1.737 5.279 -3.868 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.268 6.618 -5.820 1.00 0.00 C ATOM 671 CE1 TYR A 49 -0.904 6.305 -3.386 1.00 0.00 C ATOM 672 CE2 TYR A 49 -1.423 7.633 -5.354 1.00 0.00 C ATOM 673 CZ TYR A 49 -0.682 7.460 -4.167 1.00 0.00 C ATOM 674 OH TYR A 49 0.076 8.489 -3.703 1.00 0.00 O ATOM 0 H TYR A 49 -3.229 4.259 -8.238 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.108 2.769 -5.918 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.237 4.928 -6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.877 3.961 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.883 4.386 -3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.835 6.766 -6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.434 6.209 -2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.338 8.556 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 49 0.117 9.196 -4.380 1.00 0.00 H new ATOM 684 N ILE A 50 -4.403 1.539 -5.659 1.00 0.00 N ATOM 685 CA ILE A 50 -5.581 0.695 -5.567 1.00 0.00 C ATOM 686 C ILE A 50 -6.427 1.254 -4.416 1.00 0.00 C ATOM 687 O ILE A 50 -5.885 1.838 -3.474 1.00 0.00 O ATOM 688 CB ILE A 50 -5.110 -0.772 -5.375 1.00 0.00 C ATOM 689 CG1 ILE A 50 -4.813 -1.406 -6.749 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.118 -1.633 -4.611 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.092 -2.756 -6.649 1.00 0.00 C ATOM 0 H ILE A 50 -3.874 1.550 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.203 0.694 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.205 -0.738 -4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.750 -1.541 -7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.203 -0.718 -7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.729 -2.646 -4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.283 -1.208 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.061 -1.659 -5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.913 -3.148 -7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.140 -2.623 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.710 -3.458 -6.090 1.00 0.00 H new ATOM 703 N ILE A 51 -7.741 1.040 -4.482 1.00 0.00 N ATOM 704 CA ILE A 51 -8.669 1.109 -3.366 1.00 0.00 C ATOM 705 C ILE A 51 -9.349 -0.252 -3.329 1.00 0.00 C ATOM 706 O ILE A 51 -9.763 -0.790 -4.366 1.00 0.00 O ATOM 707 CB ILE A 51 -9.691 2.254 -3.534 1.00 0.00 C ATOM 708 CG1 ILE A 51 -8.956 3.606 -3.556 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.766 2.278 -2.423 1.00 0.00 C ATOM 710 CD1 ILE A 51 -9.858 4.745 -4.023 1.00 0.00 C ATOM 0 H ILE A 51 -8.204 0.803 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.153 1.329 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.207 2.077 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.579 3.829 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.091 3.537 -4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.453 3.106 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.319 1.339 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.285 2.406 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.295 5.679 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.214 4.537 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.710 4.834 -3.349 1.00 0.00 H new ATOM 722 N GLU A 52 -9.502 -0.777 -2.122 1.00 0.00 N ATOM 723 CA GLU A 52 -10.289 -1.955 -1.835 1.00 0.00 C ATOM 724 C GLU A 52 -11.396 -1.573 -0.866 1.00 0.00 C ATOM 725 O GLU A 52 -11.331 -0.513 -0.243 1.00 0.00 O ATOM 726 CB GLU A 52 -9.410 -3.080 -1.276 1.00 0.00 C ATOM 727 CG GLU A 52 -8.368 -3.494 -2.313 1.00 0.00 C ATOM 728 CD GLU A 52 -7.553 -4.714 -1.907 1.00 0.00 C ATOM 729 OE1 GLU A 52 -8.159 -5.737 -1.499 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.312 -4.649 -1.980 1.00 0.00 O ATOM 0 H GLU A 52 -9.065 -0.377 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.735 -2.335 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.915 -2.747 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.028 -3.937 -1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.871 -3.702 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.691 -2.658 -2.489 1.00 0.00 H new ATOM 737 N ALA A 53 -12.397 -2.440 -0.739 1.00 0.00 N ATOM 738 CA ALA A 53 -13.476 -2.340 0.229 1.00 0.00 C ATOM 739 C ALA A 53 -13.808 -3.741 0.727 1.00 0.00 C ATOM 740 O ALA A 53 -13.460 -4.740 0.082 1.00 0.00 O ATOM 741 CB ALA A 53 -14.718 -1.745 -0.442 1.00 0.00 C ATOM 0 H ALA A 53 -12.478 -3.264 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.171 -1.701 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.525 -1.671 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.484 -0.752 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.030 -2.388 -1.265 1.00 0.00 H new ATOM 747 N PHE A 54 -14.525 -3.803 1.845 1.00 0.00 N ATOM 748 CA PHE A 54 -14.927 -5.031 2.497 1.00 0.00 C ATOM 749 C PHE A 54 -16.121 -4.736 3.404 1.00 0.00 C ATOM 750 O PHE A 54 -16.039 -3.872 4.268 1.00 0.00 O ATOM 751 CB PHE A 54 -13.729 -5.555 3.284 1.00 0.00 C ATOM 752 CG PHE A 54 -14.000 -6.689 4.237 1.00 0.00 C ATOM 753 CD1 PHE A 54 -14.422 -6.400 5.538 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.742 -8.017 3.869 1.00 0.00 C ATOM 755 CE1 PHE A 54 -14.574 -7.430 6.469 1.00 0.00 C ATOM 756 CE2 PHE A 54 -13.935 -9.063 4.786 1.00 0.00 C ATOM 757 CZ PHE A 54 -14.356 -8.765 6.092 1.00 0.00 C ATOM 0 H PHE A 54 -14.850 -2.968 2.333 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.234 -5.792 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.969 -5.880 2.574 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.303 -4.727 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.631 -5.380 5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.392 -8.238 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.861 -7.198 7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.761 -10.087 4.490 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.512 -9.561 6.805 1.00 0.00 H new ATOM 767 N SER A 55 -17.236 -5.441 3.219 1.00 0.00 N ATOM 768 CA SER A 55 -18.464 -5.275 4.010 1.00 0.00 C ATOM 769 C SER A 55 -18.684 -6.425 4.997 1.00 0.00 C ATOM 770 O SER A 55 -19.751 -6.524 5.603 1.00 0.00 O ATOM 771 CB SER A 55 -19.622 -5.249 3.012 1.00 0.00 C ATOM 772 OG SER A 55 -20.857 -4.861 3.542 1.00 0.00 O ATOM 0 H SER A 55 -17.317 -6.160 2.500 1.00 0.00 H new ATOM 0 HA SER A 55 -18.393 -4.361 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.364 -4.570 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.728 -6.243 2.577 1.00 0.00 H new ATOM 0 HG SER A 55 -20.717 -4.182 4.235 1.00 0.00 H new ATOM 778 N GLN A 56 -17.752 -7.377 5.037 1.00 0.00 N ATOM 779 CA GLN A 56 -17.857 -8.672 5.686 1.00 0.00 C ATOM 780 C GLN A 56 -19.073 -9.542 5.306 1.00 0.00 C ATOM 781 O GLN A 56 -19.210 -10.652 5.800 1.00 0.00 O ATOM 782 CB GLN A 56 -17.715 -8.477 7.202 1.00 0.00 C ATOM 783 CG GLN A 56 -17.279 -9.795 7.848 1.00 0.00 C ATOM 784 CD GLN A 56 -16.506 -9.679 9.165 1.00 0.00 C ATOM 785 OE1 GLN A 56 -15.613 -8.845 9.352 1.00 0.00 O ATOM 786 NE2 GLN A 56 -16.796 -10.564 10.101 1.00 0.00 N ATOM 0 H GLN A 56 -16.846 -7.250 4.585 1.00 0.00 H new ATOM 0 HA GLN A 56 -17.034 -9.272 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -16.983 -7.697 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.663 -8.147 7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -18.168 -10.401 8.025 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.660 -10.338 7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -17.534 -11.251 9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.282 -10.561 10.982 1.00 0.00 H new ATOM 795 N SER A 57 -19.917 -9.105 4.376 1.00 0.00 N ATOM 796 CA SER A 57 -21.179 -9.774 4.034 1.00 0.00 C ATOM 797 C SER A 57 -21.494 -9.671 2.535 1.00 0.00 C ATOM 798 O SER A 57 -22.514 -10.162 2.042 1.00 0.00 O ATOM 799 CB SER A 57 -22.284 -9.215 4.948 1.00 0.00 C ATOM 800 OG SER A 57 -23.138 -10.252 5.384 1.00 0.00 O ATOM 0 H SER A 57 -19.745 -8.263 3.827 1.00 0.00 H new ATOM 0 HA SER A 57 -21.102 -10.846 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.836 -8.719 5.809 1.00 0.00 H new ATOM 0 HB3 SER A 57 -22.861 -8.462 4.412 1.00 0.00 H new ATOM 0 HG SER A 57 -23.834 -9.880 5.965 1.00 0.00 H new ATOM 806 N VAL A 58 -20.584 -9.032 1.802 1.00 0.00 N ATOM 807 CA VAL A 58 -20.575 -8.905 0.360 1.00 0.00 C ATOM 808 C VAL A 58 -20.152 -10.230 -0.260 1.00 0.00 C ATOM 809 O VAL A 58 -21.016 -11.015 -0.643 1.00 0.00 O ATOM 810 CB VAL A 58 -19.814 -7.643 -0.078 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.771 -6.450 0.042 1.00 0.00 C ATOM 812 CG2 VAL A 58 -18.512 -7.356 0.679 1.00 0.00 C ATOM 0 H VAL A 58 -19.788 -8.563 2.233 1.00 0.00 H new ATOM 0 HA VAL A 58 -21.574 -8.726 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.491 -7.816 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.257 -5.539 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -21.636 -6.611 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.101 -6.351 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -18.058 -6.445 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.728 -7.229 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.823 -8.190 0.546 1.00 0.00 H new ATOM 822 N SER A 59 -18.851 -10.510 -0.253 1.00 0.00 N ATOM 823 CA SER A 59 -18.288 -11.832 -0.504 1.00 0.00 C ATOM 824 C SER A 59 -17.453 -12.304 0.689 1.00 0.00 C ATOM 825 O SER A 59 -16.624 -13.206 0.575 1.00 0.00 O ATOM 826 CB SER A 59 -17.448 -11.785 -1.772 1.00 0.00 C ATOM 827 OG SER A 59 -18.209 -11.328 -2.875 1.00 0.00 O ATOM 0 H SER A 59 -18.140 -9.803 -0.067 1.00 0.00 H new ATOM 0 HA SER A 59 -19.098 -12.548 -0.639 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.592 -11.127 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.053 -12.778 -1.986 1.00 0.00 H new ATOM 0 HG SER A 59 -17.797 -11.640 -3.708 1.00 0.00 H new ATOM 833 N ASN A 60 -17.622 -11.638 1.836 1.00 0.00 N ATOM 834 CA ASN A 60 -16.891 -11.893 3.077 1.00 0.00 C ATOM 835 C ASN A 60 -15.369 -11.848 2.836 1.00 0.00 C ATOM 836 O ASN A 60 -14.603 -12.489 3.550 1.00 0.00 O ATOM 837 CB ASN A 60 -17.401 -13.198 3.724 1.00 0.00 C ATOM 838 CG ASN A 60 -18.869 -13.124 4.145 1.00 0.00 C ATOM 839 OD1 ASN A 60 -19.734 -12.730 3.362 1.00 0.00 O ATOM 840 ND2 ASN A 60 -19.203 -13.495 5.371 1.00 0.00 N ATOM 0 H ASN A 60 -18.297 -10.879 1.927 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.085 -11.100 3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -17.272 -14.020 3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -16.790 -13.427 4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.178 -13.455 5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -18.485 -13.821 6.018 1.00 0.00 H new ATOM 847 N SER A 61 -14.948 -11.084 1.821 1.00 0.00 N ATOM 848 CA SER A 61 -13.631 -11.032 1.203 1.00 0.00 C ATOM 849 C SER A 61 -13.341 -9.585 0.799 1.00 0.00 C ATOM 850 O SER A 61 -14.284 -8.835 0.523 1.00 0.00 O ATOM 851 CB SER A 61 -13.667 -11.869 -0.078 1.00 0.00 C ATOM 852 OG SER A 61 -13.738 -13.255 0.179 1.00 0.00 O ATOM 0 H SER A 61 -15.587 -10.426 1.374 1.00 0.00 H new ATOM 0 HA SER A 61 -12.875 -11.404 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.526 -11.570 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.776 -11.658 -0.670 1.00 0.00 H new ATOM 0 HG SER A 61 -14.668 -13.508 0.356 1.00 0.00 H new ATOM 858 N TRP A 62 -12.065 -9.190 0.759 1.00 0.00 N ATOM 859 CA TRP A 62 -11.652 -7.860 0.306 1.00 0.00 C ATOM 860 C TRP A 62 -11.665 -7.803 -1.222 1.00 0.00 C ATOM 861 O TRP A 62 -11.303 -8.786 -1.880 1.00 0.00 O ATOM 862 CB TRP A 62 -10.253 -7.537 0.845 1.00 0.00 C ATOM 863 CG TRP A 62 -10.231 -7.034 2.256 1.00 0.00 C ATOM 864 CD1 TRP A 62 -10.061 -7.775 3.373 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.435 -5.666 2.716 1.00 0.00 C ATOM 866 NE1 TRP A 62 -10.129 -6.958 4.488 1.00 0.00 N ATOM 867 CE2 TRP A 62 -10.362 -5.642 4.141 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.729 -4.454 2.057 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.535 -4.457 4.873 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.975 -3.279 2.789 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.859 -3.276 4.190 1.00 0.00 C ATOM 0 H TRP A 62 -11.287 -9.787 1.041 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.352 -7.117 0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.638 -8.435 0.783 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.792 -6.790 0.199 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.897 -8.842 3.393 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.020 -7.287 5.447 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.766 -4.428 0.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.420 -4.455 5.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.255 -2.373 2.272 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.020 -2.362 4.742 1.00 0.00 H new ATOM 882 N GLN A 63 -12.067 -6.668 -1.805 1.00 0.00 N ATOM 883 CA GLN A 63 -12.337 -6.553 -3.244 1.00 0.00 C ATOM 884 C GLN A 63 -11.726 -5.273 -3.778 1.00 0.00 C ATOM 885 O GLN A 63 -11.890 -4.224 -3.157 1.00 0.00 O ATOM 886 CB GLN A 63 -13.855 -6.575 -3.540 1.00 0.00 C ATOM 887 CG GLN A 63 -14.534 -7.626 -2.662 1.00 0.00 C ATOM 888 CD GLN A 63 -15.839 -8.201 -3.185 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.830 -7.493 -3.340 1.00 0.00 O ATOM 890 NE2 GLN A 63 -15.867 -9.507 -3.396 1.00 0.00 N ATOM 0 H GLN A 63 -12.215 -5.800 -1.291 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.887 -7.412 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.287 -5.593 -3.349 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.027 -6.800 -4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.835 -8.448 -2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.723 -7.184 -1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.024 -10.064 -3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.732 -9.956 -3.698 1.00 0.00 H new ATOM 899 N THR A 64 -11.070 -5.354 -4.934 1.00 0.00 N ATOM 900 CA THR A 64 -10.547 -4.190 -5.650 1.00 0.00 C ATOM 901 C THR A 64 -11.712 -3.413 -6.248 1.00 0.00 C ATOM 902 O THR A 64 -12.162 -3.710 -7.353 1.00 0.00 O ATOM 903 CB THR A 64 -9.517 -4.576 -6.737 1.00 0.00 C ATOM 904 OG1 THR A 64 -9.468 -5.973 -6.984 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.142 -4.028 -6.376 1.00 0.00 C ATOM 0 H THR A 64 -10.884 -6.239 -5.406 1.00 0.00 H new ATOM 0 HA THR A 64 -10.011 -3.562 -4.938 1.00 0.00 H new ATOM 0 HB THR A 64 -9.847 -4.119 -7.670 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.344 -6.281 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.425 -4.306 -7.149 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.191 -2.942 -6.301 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.824 -4.444 -5.420 1.00 0.00 H new ATOM 913 N VAL A 65 -12.190 -2.405 -5.528 1.00 0.00 N ATOM 914 CA VAL A 65 -13.299 -1.585 -5.984 1.00 0.00 C ATOM 915 C VAL A 65 -12.821 -0.507 -6.959 1.00 0.00 C ATOM 916 O VAL A 65 -13.628 -0.035 -7.763 1.00 0.00 O ATOM 917 CB VAL A 65 -14.075 -1.013 -4.785 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.743 -2.150 -3.994 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.200 -0.169 -3.846 1.00 0.00 C ATOM 0 H VAL A 65 -11.820 -2.136 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.997 -2.210 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.834 -0.347 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.289 -1.733 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.435 -2.687 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.979 -2.837 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.807 0.205 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.391 -0.784 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.780 0.672 -4.398 1.00 0.00 H new ATOM 929 N ALA A 66 -11.535 -0.139 -6.944 1.00 0.00 N ATOM 930 CA ALA A 66 -10.967 0.769 -7.927 1.00 0.00 C ATOM 931 C ALA A 66 -9.484 0.465 -8.047 1.00 0.00 C ATOM 932 O ALA A 66 -8.706 0.749 -7.137 1.00 0.00 O ATOM 933 CB ALA A 66 -11.208 2.227 -7.530 1.00 0.00 C ATOM 0 H ALA A 66 -10.865 -0.466 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.450 0.625 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.773 2.885 -8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.280 2.413 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.743 2.423 -6.564 1.00 0.00 H new ATOM 939 N ASN A 67 -9.081 -0.149 -9.154 1.00 0.00 N ATOM 940 CA ASN A 67 -7.679 -0.285 -9.494 1.00 0.00 C ATOM 941 C ASN A 67 -7.237 1.005 -10.190 1.00 0.00 C ATOM 942 O ASN A 67 -8.071 1.812 -10.617 1.00 0.00 O ATOM 943 CB ASN A 67 -7.398 -1.509 -10.390 1.00 0.00 C ATOM 944 CG ASN A 67 -8.340 -2.704 -10.251 1.00 0.00 C ATOM 945 OD1 ASN A 67 -9.533 -2.613 -10.537 1.00 0.00 O ATOM 946 ND2 ASN A 67 -7.814 -3.851 -9.853 1.00 0.00 N ATOM 0 H ASN A 67 -9.718 -0.563 -9.835 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.111 -0.449 -8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.420 -1.180 -11.429 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.384 -1.852 -10.186 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.400 -4.682 -9.778 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.822 -3.904 -9.621 1.00 0.00 H new ATOM 953 N HIS A 68 -5.922 1.148 -10.348 1.00 0.00 N ATOM 954 CA HIS A 68 -5.205 2.275 -10.960 1.00 0.00 C ATOM 955 C HIS A 68 -5.858 3.626 -10.652 1.00 0.00 C ATOM 956 O HIS A 68 -6.267 4.366 -11.549 1.00 0.00 O ATOM 957 CB HIS A 68 -4.993 2.059 -12.468 1.00 0.00 C ATOM 958 CG HIS A 68 -3.839 1.148 -12.777 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.679 1.506 -13.431 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.754 -0.178 -12.463 1.00 0.00 C ATOM 961 CE1 HIS A 68 -1.901 0.413 -13.492 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.515 -0.633 -12.912 1.00 0.00 N ATOM 0 H HIS A 68 -5.277 0.425 -10.028 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.218 2.307 -10.499 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.903 1.643 -12.901 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.825 3.024 -12.947 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.507 -0.766 -11.960 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.920 0.379 -13.943 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.145 -1.579 -12.818 1.00 0.00 H new ATOM 970 N VAL A 69 -5.974 3.948 -9.369 1.00 0.00 N ATOM 971 CA VAL A 69 -6.444 5.247 -8.924 1.00 0.00 C ATOM 972 C VAL A 69 -5.272 6.201 -9.112 1.00 0.00 C ATOM 973 O VAL A 69 -4.202 5.978 -8.549 1.00 0.00 O ATOM 974 CB VAL A 69 -6.990 5.159 -7.485 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.401 6.527 -6.931 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.226 4.253 -7.483 1.00 0.00 C ATOM 0 H VAL A 69 -5.743 3.310 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.291 5.620 -9.500 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.194 4.763 -6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.779 6.410 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.536 7.191 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.181 6.955 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.623 4.182 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.986 4.673 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.949 3.259 -7.835 1.00 0.00 H new ATOM 986 N LYS A 70 -5.436 7.224 -9.949 1.00 0.00 N ATOM 987 CA LYS A 70 -4.437 8.253 -10.204 1.00 0.00 C ATOM 988 C LYS A 70 -4.939 9.575 -9.626 1.00 0.00 C ATOM 989 O LYS A 70 -5.021 10.592 -10.321 1.00 0.00 O ATOM 990 CB LYS A 70 -4.210 8.313 -11.711 1.00 0.00 C ATOM 991 CG LYS A 70 -3.675 6.994 -12.299 1.00 0.00 C ATOM 992 CD LYS A 70 -3.635 7.121 -13.822 1.00 0.00 C ATOM 993 CE LYS A 70 -4.705 6.283 -14.533 1.00 0.00 C ATOM 994 NZ LYS A 70 -4.663 6.492 -15.997 1.00 0.00 N ATOM 0 H LYS A 70 -6.294 7.361 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.483 8.034 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.149 8.568 -12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.505 9.114 -11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.679 6.783 -11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.315 6.162 -12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.764 8.168 -14.095 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.651 6.818 -14.178 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.552 5.227 -14.309 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.691 6.550 -14.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.398 5.913 -16.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.833 7.496 -16.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.729 6.214 -16.361 1.00 0.00 H new ATOM 1008 N THR A 71 -5.366 9.538 -8.368 1.00 0.00 N ATOM 1009 CA THR A 71 -5.868 10.685 -7.630 1.00 0.00 C ATOM 1010 C THR A 71 -5.688 10.403 -6.132 1.00 0.00 C ATOM 1011 O THR A 71 -5.152 9.365 -5.736 1.00 0.00 O ATOM 1012 CB THR A 71 -7.320 10.999 -8.069 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.881 12.058 -7.322 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.267 9.804 -7.971 1.00 0.00 C ATOM 0 H THR A 71 -5.371 8.679 -7.818 1.00 0.00 H new ATOM 0 HA THR A 71 -5.308 11.594 -7.848 1.00 0.00 H new ATOM 0 HB THR A 71 -7.225 11.280 -9.118 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.796 12.227 -7.630 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.264 10.102 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.904 8.999 -8.609 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.310 9.457 -6.938 1.00 0.00 H new ATOM 1022 N THR A 72 -6.145 11.345 -5.319 1.00 0.00 N ATOM 1023 CA THR A 72 -6.276 11.317 -3.871 1.00 0.00 C ATOM 1024 C THR A 72 -7.748 11.478 -3.449 1.00 0.00 C ATOM 1025 O THR A 72 -8.028 11.515 -2.250 1.00 0.00 O ATOM 1026 CB THR A 72 -5.391 12.424 -3.278 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.475 13.599 -4.067 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.924 12.002 -3.210 1.00 0.00 C ATOM 0 H THR A 72 -6.465 12.237 -5.696 1.00 0.00 H new ATOM 0 HA THR A 72 -5.945 10.352 -3.487 1.00 0.00 H new ATOM 0 HB THR A 72 -5.756 12.613 -2.268 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.908 14.296 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.332 12.812 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.829 11.116 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.563 11.777 -4.214 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.685 11.597 -4.405 1.00 0.00 N ATOM 1037 CA LEU A 73 -10.112 11.755 -4.154 1.00 0.00 C ATOM 1038 C LEU A 73 -10.894 10.929 -5.170 1.00 0.00 C ATOM 1039 O LEU A 73 -10.883 11.233 -6.363 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.510 13.240 -4.194 1.00 0.00 C ATOM 1041 CG LEU A 73 -11.022 13.747 -2.835 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -10.939 15.272 -2.787 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -12.441 13.289 -2.540 1.00 0.00 C ATOM 0 H LEU A 73 -8.455 11.585 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.352 11.390 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.650 13.836 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.284 13.386 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.382 13.317 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.303 15.626 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.903 15.584 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.552 15.695 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.753 13.674 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.112 13.664 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.476 12.200 -2.526 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.553 9.865 -4.716 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.204 8.879 -5.584 1.00 0.00 C ATOM 1057 C TYR A 74 -13.532 8.418 -4.994 1.00 0.00 C ATOM 1058 O TYR A 74 -13.594 7.990 -3.842 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.258 7.691 -5.819 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.711 6.746 -6.918 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -12.653 5.734 -6.645 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -11.223 6.910 -8.229 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -13.157 4.935 -7.689 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -11.698 6.089 -9.268 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.693 5.118 -9.011 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.219 4.413 -10.053 1.00 0.00 O ATOM 0 H TYR A 74 -11.653 9.658 -3.722 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.423 9.347 -6.544 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.268 8.073 -6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.159 7.130 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.989 5.571 -5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.482 7.668 -8.437 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.900 4.180 -7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.301 6.201 -10.266 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.773 4.677 -10.885 1.00 0.00 H new ATOM 1076 N THR A 75 -14.579 8.501 -5.810 1.00 0.00 N ATOM 1077 CA THR A 75 -15.911 7.966 -5.586 1.00 0.00 C ATOM 1078 C THR A 75 -15.890 6.453 -5.808 1.00 0.00 C ATOM 1079 O THR A 75 -15.869 6.000 -6.951 1.00 0.00 O ATOM 1080 CB THR A 75 -16.851 8.657 -6.577 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.757 10.067 -6.454 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.313 8.234 -6.399 1.00 0.00 C ATOM 0 H THR A 75 -14.510 8.979 -6.708 1.00 0.00 H new ATOM 0 HA THR A 75 -16.252 8.149 -4.567 1.00 0.00 H new ATOM 0 HB THR A 75 -16.531 8.345 -7.571 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.808 10.317 -5.508 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.934 8.755 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.401 7.158 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.645 8.487 -5.392 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.893 5.670 -4.734 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.159 4.238 -4.800 1.00 0.00 C ATOM 1092 C VAL A 76 -17.640 4.041 -5.140 1.00 0.00 C ATOM 1093 O VAL A 76 -18.457 4.852 -4.707 1.00 0.00 O ATOM 1094 CB VAL A 76 -15.815 3.613 -3.440 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.004 2.094 -3.521 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.350 3.889 -3.056 1.00 0.00 C ATOM 0 H VAL A 76 -15.710 6.012 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.553 3.755 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.473 4.053 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.761 1.645 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.040 1.869 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.346 1.686 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.136 3.435 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.689 3.463 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.186 4.965 -2.996 1.00 0.00 H new ATOM 1106 N ARG A 77 -17.997 2.981 -5.875 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.316 2.785 -6.485 1.00 0.00 C ATOM 1108 C ARG A 77 -19.864 1.367 -6.316 1.00 0.00 C ATOM 1109 O ARG A 77 -19.164 0.456 -5.866 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.194 3.102 -7.984 1.00 0.00 C ATOM 1111 CG ARG A 77 -18.931 4.582 -8.265 1.00 0.00 C ATOM 1112 CD ARG A 77 -18.925 4.831 -9.771 1.00 0.00 C ATOM 1113 NE ARG A 77 -18.841 6.265 -10.070 1.00 0.00 N ATOM 1114 CZ ARG A 77 -18.861 6.813 -11.286 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -19.001 6.061 -12.370 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -18.745 8.128 -11.414 1.00 0.00 N ATOM 0 H ARG A 77 -17.355 2.212 -6.067 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.017 3.448 -5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.385 2.508 -8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.112 2.800 -8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.698 5.193 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.975 4.879 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.081 4.312 -10.225 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.830 4.416 -10.215 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.760 6.900 -9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.095 5.049 -12.280 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.014 6.495 -13.293 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.641 8.714 -10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.759 8.553 -12.341 1.00 0.00 H new ATOM 1130 N GLY A 78 -21.113 1.166 -6.754 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.770 -0.133 -6.925 1.00 0.00 C ATOM 1132 C GLY A 78 -22.236 -0.792 -5.622 1.00 0.00 C ATOM 1133 O GLY A 78 -22.686 -1.942 -5.637 1.00 0.00 O ATOM 0 H GLY A 78 -21.721 1.943 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.632 -0.005 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.082 -0.809 -7.432 1.00 0.00 H new ATOM 1137 N LEU A 79 -22.117 -0.083 -4.501 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.268 -0.591 -3.139 1.00 0.00 C ATOM 1139 C LEU A 79 -23.732 -0.840 -2.806 1.00 0.00 C ATOM 1140 O LEU A 79 -24.645 -0.445 -3.540 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.690 0.405 -2.112 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.227 0.788 -2.367 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.874 2.037 -1.565 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.224 -0.320 -2.042 1.00 0.00 C ATOM 0 H LEU A 79 -21.901 0.914 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.719 -1.531 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.298 1.310 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.773 -0.028 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.148 0.972 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.834 2.306 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.521 2.860 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.015 1.839 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.213 0.032 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.306 -0.587 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.437 -1.195 -2.656 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.937 -1.458 -1.650 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.241 -1.773 -1.061 1.00 0.00 C ATOM 1158 C ARG A 80 -25.675 -0.598 -0.181 1.00 0.00 C ATOM 1159 O ARG A 80 -24.806 -0.014 0.469 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.128 -3.056 -0.216 1.00 0.00 C ATOM 1161 CG ARG A 80 -24.783 -4.274 -1.076 1.00 0.00 C ATOM 1162 CD ARG A 80 -24.423 -5.535 -0.270 1.00 0.00 C ATOM 1163 NE ARG A 80 -24.195 -6.690 -1.156 1.00 0.00 N ATOM 1164 CZ ARG A 80 -23.861 -7.916 -0.737 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -23.909 -8.233 0.553 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -23.410 -8.802 -1.616 1.00 0.00 N ATOM 0 H ARG A 80 -23.162 -1.771 -1.065 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.980 -1.936 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.362 -2.922 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.070 -3.233 0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.631 -4.500 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -23.945 -4.020 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -23.528 -5.347 0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -25.227 -5.764 0.430 1.00 0.00 H new ATOM 0 HE ARG A 80 -24.299 -6.545 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -24.203 -7.537 1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -23.651 -9.172 0.857 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -23.321 -8.545 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -23.152 -9.740 -1.308 1.00 0.00 H new ATOM 1180 N PRO A 81 -26.965 -0.230 -0.128 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.467 0.809 0.772 1.00 0.00 C ATOM 1182 C PRO A 81 -27.597 0.236 2.195 1.00 0.00 C ATOM 1183 O PRO A 81 -27.684 -0.988 2.358 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.790 1.234 0.120 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.322 -0.062 -0.505 1.00 0.00 C ATOM 1186 CD PRO A 81 -28.073 -0.905 -0.791 1.00 0.00 C ATOM 0 HA PRO A 81 -26.818 1.676 0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.486 1.639 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.635 2.007 -0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -30.000 -0.579 0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.880 0.140 -1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.193 -1.920 -0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.894 -0.985 -1.863 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.571 1.094 3.224 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.606 0.737 4.652 1.00 0.00 C ATOM 1196 C ASN A 82 -26.739 -0.496 4.958 1.00 0.00 C ATOM 1197 O ASN A 82 -27.162 -1.463 5.596 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.072 0.599 5.109 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.254 0.714 6.623 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -28.482 0.170 7.401 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -30.257 1.429 7.090 1.00 0.00 N ATOM 0 H ASN A 82 -27.523 2.102 3.079 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.157 1.539 5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.670 1.368 4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.458 -0.365 4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -30.388 1.528 8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -30.903 1.884 6.445 1.00 0.00 H new ATOM 1208 N THR A 83 -25.509 -0.480 4.450 1.00 0.00 N ATOM 1209 CA THR A 83 -24.524 -1.542 4.568 1.00 0.00 C ATOM 1210 C THR A 83 -23.209 -0.880 4.961 1.00 0.00 C ATOM 1211 O THR A 83 -22.841 0.158 4.408 1.00 0.00 O ATOM 1212 CB THR A 83 -24.488 -2.344 3.243 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.740 -2.966 2.996 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.428 -3.435 3.261 1.00 0.00 C ATOM 0 H THR A 83 -25.159 0.317 3.918 1.00 0.00 H new ATOM 0 HA THR A 83 -24.760 -2.277 5.338 1.00 0.00 H new ATOM 0 HB THR A 83 -24.253 -1.623 2.460 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.408 -2.282 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.440 -3.970 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.446 -2.986 3.412 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.637 -4.132 4.073 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.548 -1.452 5.969 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.205 -1.069 6.353 1.00 0.00 C ATOM 1224 C ILE A 84 -20.251 -1.507 5.262 1.00 0.00 C ATOM 1225 O ILE A 84 -20.400 -2.585 4.682 1.00 0.00 O ATOM 1226 CB ILE A 84 -20.831 -1.731 7.696 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.599 -1.122 8.882 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.316 -1.702 8.008 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.507 0.401 8.998 1.00 0.00 C ATOM 0 H ILE A 84 -22.941 -2.200 6.541 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.145 0.012 6.480 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.125 -2.773 7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.649 -1.402 8.798 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.224 -1.565 9.805 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.133 -2.186 8.967 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.773 -2.232 7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -18.973 -0.668 8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.080 0.735 9.863 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.464 0.694 9.118 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -21.912 0.860 8.096 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.209 -0.715 5.080 1.00 0.00 N ATOM 1242 CA TYR A 85 -17.997 -1.116 4.405 1.00 0.00 C ATOM 1243 C TYR A 85 -16.829 -0.546 5.172 1.00 0.00 C ATOM 1244 O TYR A 85 -16.926 0.471 5.856 1.00 0.00 O ATOM 1245 CB TYR A 85 -17.967 -0.588 2.963 1.00 0.00 C ATOM 1246 CG TYR A 85 -18.982 -1.208 2.031 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.316 -0.759 2.044 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -18.590 -2.232 1.150 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.274 -1.360 1.217 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.537 -2.827 0.304 1.00 0.00 C ATOM 1251 CZ TYR A 85 -20.885 -2.409 0.360 1.00 0.00 C ATOM 1252 OH TYR A 85 -21.824 -3.037 -0.386 1.00 0.00 O ATOM 0 H TYR A 85 -19.187 0.250 5.408 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.947 -2.204 4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.127 0.490 2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.971 -0.754 2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.603 0.053 2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.561 -2.560 1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.300 -1.023 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.237 -3.601 -0.387 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.399 -3.736 -0.926 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.714 -1.210 4.958 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.372 -0.748 5.155 1.00 0.00 C ATOM 1264 C LEU A 86 -13.801 -0.527 3.792 1.00 0.00 C ATOM 1265 O LEU A 86 -14.288 -1.117 2.832 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.578 -1.823 5.900 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.020 -2.044 7.345 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.404 -3.349 7.819 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.643 -0.896 8.282 1.00 0.00 C ATOM 0 H LEU A 86 -15.734 -2.169 4.612 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.335 0.169 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.666 -2.764 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.523 -1.549 5.893 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.109 -2.086 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -13.701 -3.538 8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.751 -4.166 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.318 -3.281 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.988 -1.122 9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.560 -0.772 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.112 0.025 7.936 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.785 0.322 3.755 1.00 0.00 N ATOM 1282 CA PHE A 87 -12.029 0.726 2.594 1.00 0.00 C ATOM 1283 C PHE A 87 -10.549 0.774 2.990 1.00 0.00 C ATOM 1284 O PHE A 87 -10.247 1.089 4.147 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.561 2.089 2.129 1.00 0.00 C ATOM 1286 CG PHE A 87 -14.032 2.077 1.738 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.396 1.509 0.508 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -15.036 2.602 2.582 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.745 1.450 0.129 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.389 2.594 2.170 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.741 2.002 0.949 1.00 0.00 C ATOM 0 H PHE A 87 -12.448 0.777 4.603 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.133 0.028 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.413 2.817 2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.971 2.426 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.635 1.116 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.769 3.011 3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.020 0.976 -0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.148 3.042 2.794 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.776 1.971 0.640 1.00 0.00 H new ATOM 1301 N MET A 88 -9.621 0.449 2.087 1.00 0.00 N ATOM 1302 CA MET A 88 -8.202 0.747 2.292 1.00 0.00 C ATOM 1303 C MET A 88 -7.604 1.149 0.951 1.00 0.00 C ATOM 1304 O MET A 88 -8.061 0.662 -0.089 1.00 0.00 O ATOM 1305 CB MET A 88 -7.416 -0.453 2.854 1.00 0.00 C ATOM 1306 CG MET A 88 -7.994 -1.070 4.133 1.00 0.00 C ATOM 1307 SD MET A 88 -6.932 -2.256 5.007 1.00 0.00 S ATOM 1308 CE MET A 88 -6.832 -3.582 3.777 1.00 0.00 C ATOM 0 H MET A 88 -9.827 -0.021 1.206 1.00 0.00 H new ATOM 0 HA MET A 88 -8.128 1.550 3.025 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.366 -1.226 2.087 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.392 -0.135 3.053 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.242 -0.262 4.821 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.929 -1.570 3.879 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.211 -4.390 4.163 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.833 -3.961 3.568 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.392 -3.194 2.858 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.554 1.966 0.977 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.786 2.389 -0.186 1.00 0.00 C ATOM 1320 C VAL A 89 -4.465 1.622 -0.158 1.00 0.00 C ATOM 1321 O VAL A 89 -3.879 1.463 0.913 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.508 3.905 -0.106 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -4.939 4.455 -1.423 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -6.771 4.711 0.160 1.00 0.00 C ATOM 0 H VAL A 89 -6.202 2.367 1.846 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.334 2.188 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.795 4.010 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.758 5.525 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.002 3.949 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.653 4.282 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.523 5.771 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.487 4.542 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.209 4.398 1.108 1.00 0.00 H new ATOM 1334 N ARG A 90 -3.937 1.238 -1.318 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.588 0.695 -1.475 1.00 0.00 C ATOM 1336 C ARG A 90 -1.908 1.491 -2.581 1.00 0.00 C ATOM 1337 O ARG A 90 -2.559 1.844 -3.564 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.669 -0.812 -1.787 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.984 -1.657 -0.544 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.458 -3.069 -0.914 1.00 0.00 C ATOM 1341 NE ARG A 90 -3.067 -4.053 0.111 1.00 0.00 N ATOM 1342 CZ ARG A 90 -3.273 -5.372 0.015 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -4.126 -5.878 -0.865 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -2.596 -6.207 0.791 1.00 0.00 N ATOM 0 H ARG A 90 -4.448 1.297 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.000 0.788 -0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.437 -0.982 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.723 -1.142 -2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.095 -1.726 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.753 -1.160 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.542 -3.072 -1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.035 -3.356 -1.876 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.607 -3.705 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.643 -5.258 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.265 -6.887 -0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.918 -5.844 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.753 -7.212 0.718 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.628 1.820 -2.428 1.00 0.00 N ATOM 1359 CA ALA A 91 0.174 2.466 -3.461 1.00 0.00 C ATOM 1360 C ALA A 91 0.764 1.379 -4.347 1.00 0.00 C ATOM 1361 O ALA A 91 1.034 0.279 -3.869 1.00 0.00 O ATOM 1362 CB ALA A 91 1.279 3.303 -2.803 1.00 0.00 C ATOM 0 H ALA A 91 -0.111 1.642 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.436 3.135 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.878 3.786 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.828 4.063 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.916 2.655 -2.201 1.00 0.00 H new ATOM 1368 N ILE A 92 0.977 1.667 -5.626 1.00 0.00 N ATOM 1369 CA ILE A 92 1.490 0.717 -6.606 1.00 0.00 C ATOM 1370 C ILE A 92 2.753 1.271 -7.253 1.00 0.00 C ATOM 1371 O ILE A 92 2.869 2.472 -7.514 1.00 0.00 O ATOM 1372 CB ILE A 92 0.368 0.330 -7.601 1.00 0.00 C ATOM 1373 CG1 ILE A 92 0.069 -1.158 -7.430 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.690 0.609 -9.079 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.198 -1.584 -8.165 1.00 0.00 C ATOM 0 H ILE A 92 0.793 2.590 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 92 1.791 -0.214 -6.125 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.489 0.960 -7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.913 -1.740 -7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.036 -1.385 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.154 0.306 -9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.876 1.674 -9.216 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.576 0.045 -9.371 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.366 -2.650 -8.012 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.049 -1.023 -7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.085 -1.384 -9.230 1.00 0.00 H new ATOM 1387 N ASN A 93 3.679 0.370 -7.564 1.00 0.00 N ATOM 1388 CA ASN A 93 5.005 0.679 -8.096 1.00 0.00 C ATOM 1389 C ASN A 93 5.475 -0.486 -8.986 1.00 0.00 C ATOM 1390 O ASN A 93 4.740 -1.470 -9.128 1.00 0.00 O ATOM 1391 CB ASN A 93 5.956 1.017 -6.922 1.00 0.00 C ATOM 1392 CG ASN A 93 6.767 -0.153 -6.368 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.360 -1.305 -6.438 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.939 0.133 -5.819 1.00 0.00 N ATOM 0 H ASN A 93 3.523 -0.631 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 93 4.990 1.561 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.649 1.792 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.365 1.442 -6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.522 -0.615 -5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.257 1.101 -5.772 1.00 0.00 H new ATOM 1401 N PRO A 94 6.649 -0.410 -9.636 1.00 0.00 N ATOM 1402 CA PRO A 94 7.176 -1.493 -10.453 1.00 0.00 C ATOM 1403 C PRO A 94 7.800 -2.574 -9.559 1.00 0.00 C ATOM 1404 O PRO A 94 9.014 -2.759 -9.551 1.00 0.00 O ATOM 1405 CB PRO A 94 8.157 -0.816 -11.413 1.00 0.00 C ATOM 1406 CG PRO A 94 8.690 0.368 -10.621 1.00 0.00 C ATOM 1407 CD PRO A 94 7.531 0.742 -9.700 1.00 0.00 C ATOM 0 HA PRO A 94 6.417 -2.027 -11.025 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.959 -1.493 -11.707 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.661 -0.493 -12.328 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.582 0.101 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.964 1.196 -11.275 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.897 1.003 -8.707 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.000 1.613 -10.083 1.00 0.00 H new ATOM 1415 N GLN A 95 6.963 -3.258 -8.785 1.00 0.00 N ATOM 1416 CA GLN A 95 7.201 -4.491 -8.050 1.00 0.00 C ATOM 1417 C GLN A 95 5.804 -5.006 -7.696 1.00 0.00 C ATOM 1418 O GLN A 95 5.310 -5.952 -8.318 1.00 0.00 O ATOM 1419 CB GLN A 95 8.005 -4.284 -6.758 1.00 0.00 C ATOM 1420 CG GLN A 95 9.527 -4.278 -6.915 1.00 0.00 C ATOM 1421 CD GLN A 95 10.183 -4.861 -5.667 1.00 0.00 C ATOM 1422 OE1 GLN A 95 9.714 -4.698 -4.542 1.00 0.00 O ATOM 1423 NE2 GLN A 95 11.224 -5.652 -5.831 1.00 0.00 N ATOM 0 H GLN A 95 6.008 -2.928 -8.645 1.00 0.00 H new ATOM 0 HA GLN A 95 7.791 -5.180 -8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.701 -3.338 -6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.734 -5.071 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.813 -4.860 -7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.880 -3.260 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.617 -5.791 -6.762 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.637 -6.125 -5.027 1.00 0.00 H new ATOM 1432 N GLY A 96 5.164 -4.337 -6.736 1.00 0.00 N ATOM 1433 CA GLY A 96 3.952 -4.760 -6.061 1.00 0.00 C ATOM 1434 C GLY A 96 3.149 -3.564 -5.590 1.00 0.00 C ATOM 1435 O GLY A 96 3.354 -2.419 -6.006 1.00 0.00 O ATOM 0 H GLY A 96 5.502 -3.437 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.348 -5.366 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.207 -5.390 -5.209 1.00 0.00 H new ATOM 1439 N LEU A 97 2.217 -3.856 -4.696 1.00 0.00 N ATOM 1440 CA LEU A 97 1.423 -2.884 -3.971 1.00 0.00 C ATOM 1441 C LEU A 97 2.008 -2.737 -2.560 1.00 0.00 C ATOM 1442 O LEU A 97 2.611 -3.678 -2.046 1.00 0.00 O ATOM 1443 CB LEU A 97 -0.045 -3.325 -3.989 1.00 0.00 C ATOM 1444 CG LEU A 97 -0.317 -4.702 -3.348 1.00 0.00 C ATOM 1445 CD1 LEU A 97 -0.484 -4.636 -1.836 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -1.542 -5.321 -4.010 1.00 0.00 C ATOM 0 H LEU A 97 1.986 -4.818 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 97 1.456 -1.899 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.641 -2.575 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.390 -3.347 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 97 0.558 -5.330 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.673 -5.636 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.425 -4.237 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.325 -3.987 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.743 -6.295 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.403 -4.670 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.357 -5.442 -5.077 1.00 0.00 H new ATOM 1458 N SER A 98 1.849 -1.569 -1.947 1.00 0.00 N ATOM 1459 CA SER A 98 2.324 -1.226 -0.612 1.00 0.00 C ATOM 1460 C SER A 98 1.482 -1.933 0.454 1.00 0.00 C ATOM 1461 O SER A 98 0.387 -2.413 0.153 1.00 0.00 O ATOM 1462 CB SER A 98 2.298 0.304 -0.446 1.00 0.00 C ATOM 1463 OG SER A 98 0.981 0.811 -0.277 1.00 0.00 O ATOM 0 H SER A 98 1.358 -0.794 -2.393 1.00 0.00 H new ATOM 0 HA SER A 98 3.351 -1.568 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.905 0.583 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.753 0.769 -1.320 1.00 0.00 H new ATOM 0 HG SER A 98 0.674 0.626 0.635 1.00 0.00 H new ATOM 1469 N ASP A 99 1.934 -1.932 1.718 1.00 0.00 N ATOM 1470 CA ASP A 99 0.988 -2.161 2.818 1.00 0.00 C ATOM 1471 C ASP A 99 -0.202 -1.210 2.638 1.00 0.00 C ATOM 1472 O ASP A 99 -0.016 -0.099 2.111 1.00 0.00 O ATOM 1473 CB ASP A 99 1.578 -1.873 4.209 1.00 0.00 C ATOM 1474 CG ASP A 99 2.642 -2.843 4.706 1.00 0.00 C ATOM 1475 OD1 ASP A 99 3.129 -3.694 3.932 1.00 0.00 O ATOM 1476 OD2 ASP A 99 2.982 -2.733 5.906 1.00 0.00 O ATOM 0 H ASP A 99 2.904 -1.782 1.996 1.00 0.00 H new ATOM 0 HA ASP A 99 0.712 -3.215 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.007 -0.871 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 99 0.762 -1.862 4.931 1.00 0.00 H new ATOM 1481 N PRO A 100 -1.407 -1.592 3.089 1.00 0.00 N ATOM 1482 CA PRO A 100 -2.549 -0.712 3.016 1.00 0.00 C ATOM 1483 C PRO A 100 -2.378 0.490 3.945 1.00 0.00 C ATOM 1484 O PRO A 100 -1.632 0.464 4.934 1.00 0.00 O ATOM 1485 CB PRO A 100 -3.753 -1.570 3.408 1.00 0.00 C ATOM 1486 CG PRO A 100 -3.149 -2.643 4.309 1.00 0.00 C ATOM 1487 CD PRO A 100 -1.780 -2.869 3.677 1.00 0.00 C ATOM 0 HA PRO A 100 -2.675 -0.293 2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.509 -0.985 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.237 -2.006 2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.069 -2.307 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.749 -3.553 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.051 -3.185 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.822 -3.652 2.920 1.00 0.00 H new ATOM 1495 N SER A 101 -3.163 1.520 3.655 1.00 0.00 N ATOM 1496 CA SER A 101 -3.441 2.617 4.554 1.00 0.00 C ATOM 1497 C SER A 101 -4.001 2.088 5.880 1.00 0.00 C ATOM 1498 O SER A 101 -4.463 0.942 5.967 1.00 0.00 O ATOM 1499 CB SER A 101 -4.447 3.556 3.867 1.00 0.00 C ATOM 1500 OG SER A 101 -5.689 2.914 3.616 1.00 0.00 O ATOM 0 H SER A 101 -3.636 1.611 2.756 1.00 0.00 H new ATOM 0 HA SER A 101 -2.525 3.163 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.612 4.432 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.027 3.912 2.927 1.00 0.00 H new ATOM 0 HG SER A 101 -6.212 2.878 4.444 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.078 2.931 6.915 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.087 2.777 7.952 1.00 0.00 C ATOM 1508 C PRO A 102 -6.478 2.554 7.323 1.00 0.00 C ATOM 1509 O PRO A 102 -6.781 3.134 6.273 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.003 4.085 8.738 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.579 4.589 8.515 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.315 4.155 7.081 1.00 0.00 C ATOM 0 HA PRO A 102 -4.925 1.911 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.738 4.807 8.382 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.203 3.923 9.797 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.505 5.670 8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.873 4.141 9.214 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.634 4.919 6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.252 3.985 6.909 1.00 0.00 H new ATOM 1520 N MET A 103 -7.319 1.725 7.949 1.00 0.00 N ATOM 1521 CA MET A 103 -8.715 1.555 7.564 1.00 0.00 C ATOM 1522 C MET A 103 -9.479 2.868 7.786 1.00 0.00 C ATOM 1523 O MET A 103 -9.212 3.581 8.755 1.00 0.00 O ATOM 1524 CB MET A 103 -9.324 0.381 8.363 1.00 0.00 C ATOM 1525 CG MET A 103 -9.134 -0.937 7.598 1.00 0.00 C ATOM 1526 SD MET A 103 -10.040 -2.378 8.191 1.00 0.00 S ATOM 1527 CE MET A 103 -8.841 -3.109 9.335 1.00 0.00 C ATOM 0 H MET A 103 -7.043 1.149 8.745 1.00 0.00 H new ATOM 0 HA MET A 103 -8.790 1.312 6.504 1.00 0.00 H new ATOM 0 HB2 MET A 103 -8.850 0.313 9.342 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.385 0.560 8.535 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.415 -0.767 6.559 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.072 -1.181 7.605 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.264 -4.010 9.779 1.00 0.00 H new ATOM 0 HE2 MET A 103 -7.930 -3.364 8.793 1.00 0.00 H new ATOM 0 HE3 MET A 103 -8.606 -2.393 10.122 1.00 0.00 H new ATOM 1537 N SER A 104 -10.447 3.174 6.918 1.00 0.00 N ATOM 1538 CA SER A 104 -11.299 4.360 6.928 1.00 0.00 C ATOM 1539 C SER A 104 -12.207 4.455 8.154 1.00 0.00 C ATOM 1540 O SER A 104 -12.805 5.505 8.367 1.00 0.00 O ATOM 1541 CB SER A 104 -12.155 4.337 5.649 1.00 0.00 C ATOM 1542 OG SER A 104 -12.990 3.188 5.586 1.00 0.00 O ATOM 0 H SER A 104 -10.669 2.556 6.138 1.00 0.00 H new ATOM 0 HA SER A 104 -10.651 5.235 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.771 5.235 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.503 4.359 4.776 1.00 0.00 H new ATOM 0 HG SER A 104 -13.613 3.195 6.342 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.268 3.385 8.951 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.298 3.027 9.932 1.00 0.00 C ATOM 1550 C ASP A 105 -14.521 2.456 9.183 1.00 0.00 C ATOM 1551 O ASP A 105 -14.690 2.760 7.996 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.684 4.227 10.814 1.00 0.00 C ATOM 1553 CG ASP A 105 -13.925 3.868 12.269 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -12.963 3.422 12.939 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -15.024 4.143 12.795 1.00 0.00 O ATOM 0 H ASP A 105 -11.530 2.682 8.924 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.902 2.268 10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.892 4.974 10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.585 4.688 10.409 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.367 1.618 9.814 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.523 1.035 9.159 1.00 0.00 C ATOM 1562 C PRO A 106 -17.583 2.123 8.985 1.00 0.00 C ATOM 1563 O PRO A 106 -18.084 2.679 9.972 1.00 0.00 O ATOM 1564 CB PRO A 106 -16.988 -0.129 10.037 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.383 0.128 11.411 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.252 1.121 11.171 1.00 0.00 C ATOM 0 HA PRO A 106 -16.304 0.650 8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.076 -0.170 10.089 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.652 -1.084 9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.125 0.535 12.098 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.009 -0.794 11.855 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.311 1.944 11.884 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.285 0.640 11.319 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.927 2.423 7.737 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.842 3.492 7.357 1.00 0.00 C ATOM 1576 C VAL A 107 -20.071 2.911 6.684 1.00 0.00 C ATOM 1577 O VAL A 107 -19.971 2.010 5.846 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.127 4.531 6.479 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -17.302 5.440 7.400 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.263 3.913 5.373 1.00 0.00 C ATOM 0 H VAL A 107 -17.563 1.910 6.934 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.178 4.015 8.253 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.881 5.109 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.783 6.189 6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.964 5.937 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.572 4.841 7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.790 4.707 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.495 3.283 5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -17.890 3.310 4.716 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.248 3.402 7.072 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.507 2.946 6.499 1.00 0.00 C ATOM 1592 C ARG A 108 -22.810 3.795 5.273 1.00 0.00 C ATOM 1593 O ARG A 108 -22.564 5.007 5.256 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.625 3.091 7.541 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.875 2.227 7.275 1.00 0.00 C ATOM 1596 CD ARG A 108 -24.872 0.919 8.081 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.151 0.635 8.748 1.00 0.00 N ATOM 1598 CZ ARG A 108 -26.390 0.410 10.048 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -25.449 0.590 10.970 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -27.591 -0.011 10.423 1.00 0.00 N ATOM 0 H ARG A 108 -21.352 4.122 7.787 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.439 1.897 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.224 2.833 8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.927 4.137 7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.768 2.800 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.931 1.994 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -24.628 0.092 7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -24.083 0.967 8.832 1.00 0.00 H new ATOM 0 HE ARG A 108 -26.968 0.605 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -24.519 0.906 10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -25.657 0.412 11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.320 -0.160 9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -27.785 -0.186 11.409 1.00 0.00 H new ATOM 1614 N THR A 109 -23.359 3.172 4.247 1.00 0.00 N ATOM 1615 CA THR A 109 -24.030 3.871 3.171 1.00 0.00 C ATOM 1616 C THR A 109 -25.373 4.389 3.662 1.00 0.00 C ATOM 1617 O THR A 109 -25.965 3.924 4.642 1.00 0.00 O ATOM 1618 CB THR A 109 -24.197 2.878 2.010 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.777 1.672 2.461 1.00 0.00 O ATOM 1620 CG2 THR A 109 -22.853 2.490 1.393 1.00 0.00 C ATOM 0 H THR A 109 -23.351 2.158 4.138 1.00 0.00 H new ATOM 0 HA THR A 109 -23.453 4.732 2.832 1.00 0.00 H new ATOM 0 HB THR A 109 -24.827 3.382 1.277 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.641 0.972 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.017 1.787 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.357 3.382 1.010 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.225 2.024 2.152 1.00 0.00 H new ATOM 1628 N GLN A 110 -25.836 5.378 2.915 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.115 6.022 3.069 1.00 0.00 C ATOM 1630 C GLN A 110 -28.242 5.066 2.758 1.00 0.00 C ATOM 1631 O GLN A 110 -28.054 3.954 2.247 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.172 7.171 2.073 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.217 8.284 2.461 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.740 9.203 3.571 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -27.624 8.838 4.340 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.206 10.402 3.703 1.00 0.00 N ATOM 0 H GLN A 110 -25.294 5.769 2.145 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.226 6.367 4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -26.922 6.805 1.077 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.188 7.562 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -25.274 7.842 2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -26.001 8.886 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.471 10.706 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.528 11.025 4.444 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.421 5.610 2.996 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.638 5.051 2.459 1.00 0.00 C ATOM 1647 C ASP A 111 -30.738 5.350 0.969 1.00 0.00 C ATOM 1648 O ASP A 111 -30.184 6.328 0.460 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.866 5.610 3.179 1.00 0.00 C ATOM 1650 CG ASP A 111 -33.127 4.835 2.775 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -33.028 3.613 2.493 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -34.208 5.451 2.673 1.00 0.00 O ATOM 0 H ASP A 111 -29.557 6.446 3.564 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.609 3.972 2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -31.723 5.546 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -31.988 6.666 2.936 1.00 0.00 H new ATOM 1657 N SER A 112 -31.523 4.540 0.277 1.00 0.00 N ATOM 1658 CA SER A 112 -31.952 4.739 -1.089 1.00 0.00 C ATOM 1659 C SER A 112 -33.209 5.630 -1.098 1.00 0.00 C ATOM 1660 O SER A 112 -34.212 5.304 -1.744 1.00 0.00 O ATOM 1661 CB SER A 112 -32.094 3.324 -1.665 1.00 0.00 C ATOM 1662 OG SER A 112 -32.117 3.273 -3.076 1.00 0.00 O ATOM 0 H SER A 112 -31.896 3.680 0.680 1.00 0.00 H new ATOM 0 HA SER A 112 -31.258 5.285 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 112 -31.267 2.712 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 112 -33.012 2.878 -1.281 1.00 0.00 H new ATOM 0 HG SER A 112 -32.208 2.342 -3.368 1.00 0.00 H new ATOM 1668 N GLY A 113 -33.137 6.750 -0.370 1.00 0.00 N ATOM 1669 CA GLY A 113 -34.107 7.834 -0.334 1.00 0.00 C ATOM 1670 C GLY A 113 -33.478 9.118 -0.875 1.00 0.00 C ATOM 1671 O GLY A 113 -32.247 9.215 -0.924 1.00 0.00 O ATOM 0 H GLY A 113 -32.345 6.928 0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -34.982 7.570 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -34.451 7.991 0.688 1.00 0.00 H new ATOM 1675 N PRO A 114 -34.291 10.094 -1.310 1.00 0.00 N ATOM 1676 CA PRO A 114 -33.801 11.274 -2.005 1.00 0.00 C ATOM 1677 C PRO A 114 -33.021 12.192 -1.063 1.00 0.00 C ATOM 1678 O PRO A 114 -33.108 12.085 0.162 1.00 0.00 O ATOM 1679 CB PRO A 114 -35.051 11.959 -2.568 1.00 0.00 C ATOM 1680 CG PRO A 114 -36.150 11.553 -1.589 1.00 0.00 C ATOM 1681 CD PRO A 114 -35.740 10.136 -1.190 1.00 0.00 C ATOM 0 HA PRO A 114 -33.099 11.016 -2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -34.931 13.042 -2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -35.271 11.623 -3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -36.191 12.220 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -37.135 11.573 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -36.055 9.910 -0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -36.208 9.396 -1.839 1.00 0.00 H new ATOM 1689 N SER A 115 -32.263 13.132 -1.618 1.00 0.00 N ATOM 1690 CA SER A 115 -31.675 14.250 -0.895 1.00 0.00 C ATOM 1691 C SER A 115 -31.474 15.409 -1.872 1.00 0.00 C ATOM 1692 O SER A 115 -32.026 16.483 -1.648 1.00 0.00 O ATOM 1693 CB SER A 115 -30.363 13.829 -0.216 1.00 0.00 C ATOM 1694 OG SER A 115 -30.593 12.784 0.722 1.00 0.00 O ATOM 0 H SER A 115 -32.035 13.135 -2.612 1.00 0.00 H new ATOM 0 HA SER A 115 -32.343 14.577 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 115 -29.648 13.497 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 115 -29.918 14.686 0.289 1.00 0.00 H new ATOM 0 HG SER A 115 -31.556 12.690 0.878 1.00 0.00 H new ATOM 1700 N SER A 116 -30.768 15.188 -2.989 1.00 0.00 N ATOM 1701 CA SER A 116 -30.367 16.231 -3.936 1.00 0.00 C ATOM 1702 C SER A 116 -29.570 17.378 -3.289 1.00 0.00 C ATOM 1703 O SER A 116 -29.450 18.452 -3.878 1.00 0.00 O ATOM 1704 CB SER A 116 -31.574 16.722 -4.743 1.00 0.00 C ATOM 1705 OG SER A 116 -32.156 15.645 -5.459 1.00 0.00 O ATOM 0 H SER A 116 -30.454 14.257 -3.263 1.00 0.00 H new ATOM 0 HA SER A 116 -29.665 15.775 -4.634 1.00 0.00 H new ATOM 0 HB2 SER A 116 -32.312 17.164 -4.074 1.00 0.00 H new ATOM 0 HB3 SER A 116 -31.263 17.503 -5.436 1.00 0.00 H new ATOM 0 HG SER A 116 -32.927 15.970 -5.969 1.00 0.00 H new ATOM 1711 N GLY A 117 -28.995 17.174 -2.103 1.00 0.00 N ATOM 1712 CA GLY A 117 -28.181 18.137 -1.390 1.00 0.00 C ATOM 1713 C GLY A 117 -27.708 17.513 -0.093 1.00 0.00 C ATOM 1714 O GLY A 117 -28.074 16.349 0.194 1.00 0.00 O ATOM 0 H GLY A 117 -29.093 16.293 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -27.327 18.434 -1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -28.756 19.040 -1.186 1.00 0.00 H new TER 1718 GLY A 117