USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 778 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 67 ASN :FLIP amide:sc=-0.00471 F(o=-4,f=-1.5) USER MOD Set 1.2: A 70 GLN :FLIP amide:sc= -1.48 F(o=-3.7!,f=-1.5) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.124 (180deg=-0.666) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.093 (180deg=-0.0575) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 162:sc= -0.0624 (180deg=-0.442) USER MOD Single : A 12 THR OG1 : rot -92:sc= 1.25 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -170:sc= -0.971 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.685 (180deg=-0.685) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 34 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.17) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -52:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.918 K(o=-0.92,f=-2.7) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0469 F(o=-1.1,f=-0.047) USER MOD Single : A 55 SER OG : rot 105:sc= 0.569 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -19:sc= 0.193 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.0478 (180deg=-0.357) USER MOD Single : A 73 ASN :FLIP amide:sc= 0.105 F(o=-0.77,f=0.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -1.68! X(o=-1.7!,f=-1.3) USER MOD Single : A 84 LYS NZ :NH3+ -148:sc= -0.0924 (180deg=-0.367) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= -0.0483 (180deg=-0.352) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 132:sc= -0.0797 (180deg=-0.396) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 47:sc= 0.173 USER MOD Single : A 95 ASN : amide:sc= -0.334 K(o=-0.33,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.290 -3.427 12.619 1.00 0.00 N ATOM 2 CA MET A 1 -9.160 -1.979 12.925 1.00 0.00 C ATOM 3 C MET A 1 -8.506 -1.234 11.766 1.00 0.00 C ATOM 4 O MET A 1 -8.056 -1.846 10.798 1.00 0.00 O ATOM 5 CB MET A 1 -8.335 -1.784 14.199 1.00 0.00 C ATOM 6 CG MET A 1 -9.029 -2.281 15.457 1.00 0.00 C ATOM 7 SD MET A 1 -10.581 -1.419 15.785 1.00 0.00 S ATOM 8 CE MET A 1 -10.000 0.266 15.963 1.00 0.00 C ATOM 0 H1 MET A 1 -10.294 -3.698 12.644 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.903 -3.618 11.673 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.764 -3.980 13.326 1.00 0.00 H new ATOM 0 HA MET A 1 -10.160 -1.572 13.076 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.384 -2.305 14.089 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.106 -0.725 14.315 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.225 -3.349 15.361 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.361 -2.155 16.309 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.758 0.860 16.473 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.080 0.274 16.547 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.808 0.691 14.978 1.00 0.00 H new ATOM 20 N GLU A 2 -8.462 0.090 11.872 1.00 0.00 N ATOM 21 CA GLU A 2 -7.863 0.923 10.835 1.00 0.00 C ATOM 22 C GLU A 2 -6.364 0.664 10.729 1.00 0.00 C ATOM 23 O GLU A 2 -5.803 0.649 9.632 1.00 0.00 O ATOM 24 CB GLU A 2 -8.122 2.402 11.131 1.00 0.00 C ATOM 25 CG GLU A 2 -7.445 3.352 10.155 1.00 0.00 C ATOM 26 CD GLU A 2 -7.932 3.170 8.731 1.00 0.00 C ATOM 27 OE1 GLU A 2 -9.001 3.721 8.396 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.244 2.477 7.953 1.00 0.00 O ATOM 0 H GLU A 2 -8.834 0.610 12.667 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.324 0.665 9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.197 2.583 11.114 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.777 2.627 12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.627 4.380 10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.367 3.195 10.189 1.00 0.00 H new ATOM 35 N SER A 3 -5.718 0.462 11.874 1.00 0.00 N ATOM 36 CA SER A 3 -4.283 0.202 11.910 1.00 0.00 C ATOM 37 C SER A 3 -3.950 -1.098 11.185 1.00 0.00 C ATOM 38 O SER A 3 -2.961 -1.179 10.456 1.00 0.00 O ATOM 39 CB SER A 3 -3.791 0.133 13.357 1.00 0.00 C ATOM 40 OG SER A 3 -4.060 1.342 14.044 1.00 0.00 O ATOM 0 H SER A 3 -6.167 0.474 12.790 1.00 0.00 H new ATOM 0 HA SER A 3 -3.777 1.022 11.401 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.277 -0.697 13.871 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.720 -0.067 13.371 1.00 0.00 H new ATOM 0 HG SER A 3 -3.738 1.272 14.967 1.00 0.00 H new ATOM 46 N GLU A 4 -4.782 -2.113 11.393 1.00 0.00 N ATOM 47 CA GLU A 4 -4.581 -3.411 10.762 1.00 0.00 C ATOM 48 C GLU A 4 -4.973 -3.364 9.289 1.00 0.00 C ATOM 49 O GLU A 4 -4.421 -4.092 8.465 1.00 0.00 O ATOM 50 CB GLU A 4 -5.399 -4.482 11.487 1.00 0.00 C ATOM 51 CG GLU A 4 -5.200 -5.884 10.932 1.00 0.00 C ATOM 52 CD GLU A 4 -3.778 -6.380 11.098 1.00 0.00 C ATOM 53 OE1 GLU A 4 -2.949 -6.120 10.201 1.00 0.00 O ATOM 54 OE2 GLU A 4 -3.492 -7.028 12.127 1.00 0.00 O ATOM 0 H GLU A 4 -5.604 -2.061 11.995 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.523 -3.663 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.131 -4.478 12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.456 -4.223 11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.881 -6.570 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.463 -5.893 9.874 1.00 0.00 H new ATOM 61 N TYR A 5 -5.933 -2.502 8.969 1.00 0.00 N ATOM 62 CA TYR A 5 -6.415 -2.356 7.600 1.00 0.00 C ATOM 63 C TYR A 5 -5.384 -1.665 6.712 1.00 0.00 C ATOM 64 O TYR A 5 -5.259 -1.984 5.530 1.00 0.00 O ATOM 65 CB TYR A 5 -7.725 -1.568 7.592 1.00 0.00 C ATOM 66 CG TYR A 5 -8.205 -1.195 6.206 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.627 -2.170 5.312 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.235 0.131 5.796 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.065 -1.834 4.044 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.672 0.476 4.531 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.086 -0.510 3.659 1.00 0.00 C ATOM 72 OH TYR A 5 -9.523 -0.170 2.399 1.00 0.00 O ATOM 0 H TYR A 5 -6.394 -1.891 9.643 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.586 -3.354 7.196 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.496 -2.158 8.087 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.595 -0.658 8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.613 -3.207 5.612 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.912 0.905 6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.389 -2.604 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.689 1.512 4.227 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.476 0.803 2.288 1.00 0.00 H new ATOM 82 N ARG A 6 -4.649 -0.720 7.285 1.00 0.00 N ATOM 83 CA ARG A 6 -3.640 0.018 6.535 1.00 0.00 C ATOM 84 C ARG A 6 -2.334 -0.768 6.433 1.00 0.00 C ATOM 85 O ARG A 6 -1.684 -0.770 5.391 1.00 0.00 O ATOM 86 CB ARG A 6 -3.385 1.380 7.187 1.00 0.00 C ATOM 87 CG ARG A 6 -2.839 1.291 8.603 1.00 0.00 C ATOM 88 CD ARG A 6 -2.707 2.667 9.237 1.00 0.00 C ATOM 89 NE ARG A 6 -2.121 2.603 10.573 1.00 0.00 N ATOM 90 CZ ARG A 6 -2.095 3.629 11.419 1.00 0.00 C ATOM 91 NH1 ARG A 6 -2.623 4.795 11.069 1.00 0.00 N ATOM 92 NH2 ARG A 6 -1.538 3.490 12.614 1.00 0.00 N ATOM 0 H ARG A 6 -4.732 -0.447 8.264 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.021 0.170 5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.682 1.941 6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.317 1.945 7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.499 0.671 9.210 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.865 0.801 8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.089 3.301 8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.690 3.135 9.295 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.708 1.721 10.875 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.050 4.906 10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.602 5.580 11.720 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.129 2.596 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.518 4.277 13.262 1.00 0.00 H new ATOM 106 N GLU A 7 -1.961 -1.439 7.517 1.00 0.00 N ATOM 107 CA GLU A 7 -0.721 -2.210 7.553 1.00 0.00 C ATOM 108 C GLU A 7 -0.810 -3.479 6.703 1.00 0.00 C ATOM 109 O GLU A 7 0.039 -3.719 5.846 1.00 0.00 O ATOM 110 CB GLU A 7 -0.374 -2.576 8.997 1.00 0.00 C ATOM 111 CG GLU A 7 0.983 -3.243 9.148 1.00 0.00 C ATOM 112 CD GLU A 7 1.348 -3.498 10.597 1.00 0.00 C ATOM 113 OE1 GLU A 7 0.995 -4.577 11.118 1.00 0.00 O ATOM 114 OE2 GLU A 7 1.988 -2.619 11.211 1.00 0.00 O ATOM 0 H GLU A 7 -2.499 -1.465 8.383 1.00 0.00 H new ATOM 0 HA GLU A 7 0.066 -1.584 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.395 -1.673 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.142 -3.243 9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.982 -4.188 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.746 -2.614 8.690 1.00 0.00 H new ATOM 121 N MET A 8 -1.839 -4.284 6.948 1.00 0.00 N ATOM 122 CA MET A 8 -2.024 -5.539 6.218 1.00 0.00 C ATOM 123 C MET A 8 -2.199 -5.312 4.718 1.00 0.00 C ATOM 124 O MET A 8 -1.524 -5.944 3.907 1.00 0.00 O ATOM 125 CB MET A 8 -3.238 -6.292 6.771 1.00 0.00 C ATOM 126 CG MET A 8 -3.596 -7.545 5.984 1.00 0.00 C ATOM 127 SD MET A 8 -2.359 -8.847 6.140 1.00 0.00 S ATOM 128 CE MET A 8 -2.570 -9.315 7.856 1.00 0.00 C ATOM 0 H MET A 8 -2.558 -4.092 7.645 1.00 0.00 H new ATOM 0 HA MET A 8 -1.122 -6.134 6.360 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.041 -6.569 7.807 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.097 -5.621 6.778 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.559 -7.922 6.329 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.713 -7.286 4.932 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.124 -10.295 8.023 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.082 -8.580 8.496 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.633 -9.355 8.094 1.00 0.00 H new ATOM 138 N LEU A 9 -3.099 -4.405 4.354 1.00 0.00 N ATOM 139 CA LEU A 9 -3.378 -4.120 2.947 1.00 0.00 C ATOM 140 C LEU A 9 -2.118 -3.712 2.184 1.00 0.00 C ATOM 141 O LEU A 9 -1.988 -4.002 0.994 1.00 0.00 O ATOM 142 CB LEU A 9 -4.442 -3.024 2.831 1.00 0.00 C ATOM 143 CG LEU A 9 -4.901 -2.704 1.405 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.357 -2.267 1.402 1.00 0.00 C ATOM 145 CD2 LEU A 9 -4.023 -1.625 0.787 1.00 0.00 C ATOM 0 H LEU A 9 -3.649 -3.853 5.012 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.752 -5.039 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.312 -3.322 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.051 -2.112 3.282 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.808 -3.609 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.668 -2.043 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.978 -3.068 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.471 -1.376 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.366 -1.413 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.084 -0.718 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.990 -1.971 0.755 1.00 0.00 H new ATOM 157 N LEU A 10 -1.196 -3.043 2.865 1.00 0.00 N ATOM 158 CA LEU A 10 0.037 -2.590 2.228 1.00 0.00 C ATOM 159 C LEU A 10 1.071 -3.706 2.120 1.00 0.00 C ATOM 160 O LEU A 10 1.474 -4.082 1.022 1.00 0.00 O ATOM 161 CB LEU A 10 0.631 -1.413 3.001 1.00 0.00 C ATOM 162 CG LEU A 10 -0.159 -0.108 2.903 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.354 0.900 3.918 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.074 0.465 1.495 1.00 0.00 C ATOM 0 H LEU A 10 -1.276 -2.802 3.853 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.221 -2.275 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.712 -1.692 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.644 -1.235 2.639 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.205 -0.322 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.219 1.824 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.243 0.493 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.406 1.107 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.643 1.394 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.968 0.664 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.487 -0.252 0.785 1.00 0.00 H new ATOM 176 N LEU A 11 1.493 -4.233 3.267 1.00 0.00 N ATOM 177 CA LEU A 11 2.504 -5.287 3.306 1.00 0.00 C ATOM 178 C LEU A 11 2.138 -6.475 2.414 1.00 0.00 C ATOM 179 O LEU A 11 3.019 -7.193 1.940 1.00 0.00 O ATOM 180 CB LEU A 11 2.728 -5.752 4.750 1.00 0.00 C ATOM 181 CG LEU A 11 1.569 -6.529 5.389 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.650 -8.010 5.046 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.571 -6.334 6.897 1.00 0.00 C ATOM 0 H LEU A 11 1.150 -3.947 4.184 1.00 0.00 H new ATOM 0 HA LEU A 11 3.430 -4.865 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.619 -6.379 4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.937 -4.877 5.365 1.00 0.00 H new ATOM 0 HG LEU A 11 0.635 -6.139 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.817 -8.537 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.601 -8.136 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.590 -8.418 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.744 -6.891 7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.512 -6.697 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.458 -5.275 7.127 1.00 0.00 H new ATOM 195 N THR A 12 0.844 -6.681 2.184 1.00 0.00 N ATOM 196 CA THR A 12 0.384 -7.790 1.351 1.00 0.00 C ATOM 197 C THR A 12 0.749 -7.582 -0.118 1.00 0.00 C ATOM 198 O THR A 12 0.424 -8.410 -0.968 1.00 0.00 O ATOM 199 CB THR A 12 -1.138 -7.993 1.464 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.810 -6.728 1.406 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.493 -8.710 2.758 1.00 0.00 C ATOM 0 H THR A 12 0.097 -6.097 2.561 1.00 0.00 H new ATOM 0 HA THR A 12 0.891 -8.680 1.722 1.00 0.00 H new ATOM 0 HB THR A 12 -1.464 -8.610 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.928 -6.378 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.573 -8.842 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.006 -9.685 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.154 -8.117 3.607 1.00 0.00 H new ATOM 209 N GLY A 13 1.422 -6.474 -0.408 1.00 0.00 N ATOM 210 CA GLY A 13 1.818 -6.184 -1.774 1.00 0.00 C ATOM 211 C GLY A 13 3.316 -5.995 -1.916 1.00 0.00 C ATOM 212 O GLY A 13 3.876 -6.214 -2.990 1.00 0.00 O ATOM 0 H GLY A 13 1.700 -5.772 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.494 -6.998 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.307 -5.283 -2.114 1.00 0.00 H new ATOM 216 N LEU A 14 3.968 -5.586 -0.831 1.00 0.00 N ATOM 217 CA LEU A 14 5.410 -5.368 -0.842 1.00 0.00 C ATOM 218 C LEU A 14 6.160 -6.683 -0.645 1.00 0.00 C ATOM 219 O LEU A 14 7.084 -7.000 -1.393 1.00 0.00 O ATOM 220 CB LEU A 14 5.818 -4.372 0.251 1.00 0.00 C ATOM 221 CG LEU A 14 5.421 -2.907 0.013 1.00 0.00 C ATOM 222 CD1 LEU A 14 5.933 -2.414 -1.332 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.913 -2.732 0.104 1.00 0.00 C ATOM 0 H LEU A 14 3.520 -5.399 0.066 1.00 0.00 H new ATOM 0 HA LEU A 14 5.675 -4.954 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.378 -4.698 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.900 -4.419 0.371 1.00 0.00 H new ATOM 0 HG LEU A 14 5.884 -2.306 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.638 -1.374 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.020 -2.489 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.508 -3.024 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.657 -1.687 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.429 -3.353 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.571 -3.031 1.095 1.00 0.00 H new ATOM 235 N ASP A 15 5.754 -7.444 0.366 1.00 0.00 N ATOM 236 CA ASP A 15 6.391 -8.722 0.667 1.00 0.00 C ATOM 237 C ASP A 15 5.971 -9.797 -0.333 1.00 0.00 C ATOM 238 O ASP A 15 6.458 -10.927 -0.286 1.00 0.00 O ATOM 239 CB ASP A 15 6.044 -9.166 2.090 1.00 0.00 C ATOM 240 CG ASP A 15 6.778 -10.428 2.499 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.942 -10.321 2.940 1.00 0.00 O ATOM 242 OD2 ASP A 15 6.192 -11.524 2.374 1.00 0.00 O ATOM 0 H ASP A 15 4.987 -7.198 0.991 1.00 0.00 H new ATOM 0 HA ASP A 15 7.470 -8.586 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.289 -8.365 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.970 -9.334 2.163 1.00 0.00 H new ATOM 247 N HIS A 16 5.067 -9.441 -1.241 1.00 0.00 N ATOM 248 CA HIS A 16 4.584 -10.383 -2.247 1.00 0.00 C ATOM 249 C HIS A 16 5.144 -10.061 -3.628 1.00 0.00 C ATOM 250 O HIS A 16 4.683 -10.601 -4.634 1.00 0.00 O ATOM 251 CB HIS A 16 3.055 -10.374 -2.290 1.00 0.00 C ATOM 252 CG HIS A 16 2.423 -11.054 -1.116 1.00 0.00 C ATOM 253 ND1 HIS A 16 1.825 -12.293 -1.178 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.304 -10.645 0.173 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.371 -12.592 0.047 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.636 -11.624 0.903 1.00 0.00 N ATOM 0 H HIS A 16 4.655 -8.510 -1.301 1.00 0.00 H new ATOM 0 HA HIS A 16 4.932 -11.377 -1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.706 -9.342 -2.334 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.722 -10.862 -3.206 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.669 -9.709 0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.855 -13.506 0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.400 -11.598 1.895 1.00 0.00 H new ATOM 264 N ILE A 17 6.142 -9.185 -3.675 1.00 0.00 N ATOM 265 CA ILE A 17 6.758 -8.804 -4.940 1.00 0.00 C ATOM 266 C ILE A 17 8.279 -8.764 -4.826 1.00 0.00 C ATOM 267 O ILE A 17 8.831 -8.829 -3.727 1.00 0.00 O ATOM 268 CB ILE A 17 6.245 -7.436 -5.431 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.580 -6.338 -4.416 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.744 -7.499 -5.680 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.158 -4.953 -4.858 1.00 0.00 C ATOM 0 H ILE A 17 6.540 -8.727 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 17 6.476 -9.565 -5.668 1.00 0.00 H new ATOM 0 HB ILE A 17 6.743 -7.192 -6.369 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.095 -6.571 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.655 -6.340 -4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.392 -6.528 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.532 -8.253 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.232 -7.761 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.427 -4.228 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.663 -4.699 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.079 -4.933 -5.013 1.00 0.00 H new ATOM 283 N THR A 18 8.950 -8.658 -5.969 1.00 0.00 N ATOM 284 CA THR A 18 10.407 -8.621 -6.004 1.00 0.00 C ATOM 285 C THR A 18 10.942 -7.240 -5.638 1.00 0.00 C ATOM 286 O THR A 18 10.214 -6.249 -5.680 1.00 0.00 O ATOM 287 CB THR A 18 10.939 -9.018 -7.393 1.00 0.00 C ATOM 288 OG1 THR A 18 10.247 -8.286 -8.410 1.00 0.00 O ATOM 289 CG2 THR A 18 10.770 -10.510 -7.631 1.00 0.00 C ATOM 0 H THR A 18 8.506 -8.596 -6.885 1.00 0.00 H new ATOM 0 HA THR A 18 10.758 -9.341 -5.265 1.00 0.00 H new ATOM 0 HB THR A 18 12.002 -8.778 -7.433 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.475 -8.653 -9.290 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.153 -10.767 -8.619 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.322 -11.064 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.713 -10.770 -7.573 1.00 0.00 H new ATOM 297 N GLU A 19 12.224 -7.188 -5.284 1.00 0.00 N ATOM 298 CA GLU A 19 12.866 -5.934 -4.903 1.00 0.00 C ATOM 299 C GLU A 19 12.836 -4.926 -6.047 1.00 0.00 C ATOM 300 O GLU A 19 12.720 -3.722 -5.818 1.00 0.00 O ATOM 301 CB GLU A 19 14.311 -6.184 -4.461 1.00 0.00 C ATOM 302 CG GLU A 19 15.216 -6.704 -5.568 1.00 0.00 C ATOM 303 CD GLU A 19 14.889 -8.130 -5.973 1.00 0.00 C ATOM 304 OE1 GLU A 19 15.353 -9.063 -5.285 1.00 0.00 O ATOM 305 OE2 GLU A 19 14.170 -8.311 -6.976 1.00 0.00 O ATOM 0 H GLU A 19 12.839 -8.001 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 19 12.306 -5.516 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.727 -5.255 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.310 -6.901 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.128 -6.054 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.253 -6.654 -5.237 1.00 0.00 H new ATOM 312 N GLU A 20 12.942 -5.418 -7.278 1.00 0.00 N ATOM 313 CA GLU A 20 12.924 -4.546 -8.446 1.00 0.00 C ATOM 314 C GLU A 20 11.607 -3.781 -8.528 1.00 0.00 C ATOM 315 O GLU A 20 11.579 -2.616 -8.924 1.00 0.00 O ATOM 316 CB GLU A 20 13.148 -5.358 -9.725 1.00 0.00 C ATOM 317 CG GLU A 20 12.129 -6.467 -9.931 1.00 0.00 C ATOM 318 CD GLU A 20 12.437 -7.322 -11.145 1.00 0.00 C ATOM 319 OE1 GLU A 20 12.007 -6.951 -12.258 1.00 0.00 O ATOM 320 OE2 GLU A 20 13.108 -8.363 -10.983 1.00 0.00 O ATOM 0 H GLU A 20 13.041 -6.411 -7.491 1.00 0.00 H new ATOM 0 HA GLU A 20 13.735 -3.825 -8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.118 -4.685 -10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.146 -5.795 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.101 -7.099 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.137 -6.028 -10.042 1.00 0.00 H new ATOM 327 N GLU A 21 10.519 -4.444 -8.150 1.00 0.00 N ATOM 328 CA GLU A 21 9.196 -3.827 -8.173 1.00 0.00 C ATOM 329 C GLU A 21 9.002 -2.899 -6.975 1.00 0.00 C ATOM 330 O GLU A 21 8.262 -1.919 -7.053 1.00 0.00 O ATOM 331 CB GLU A 21 8.109 -4.902 -8.180 1.00 0.00 C ATOM 332 CG GLU A 21 8.181 -5.833 -9.380 1.00 0.00 C ATOM 333 CD GLU A 21 8.088 -5.091 -10.699 1.00 0.00 C ATOM 334 OE1 GLU A 21 9.144 -4.680 -11.225 1.00 0.00 O ATOM 335 OE2 GLU A 21 6.960 -4.921 -11.207 1.00 0.00 O ATOM 0 H GLU A 21 10.527 -5.410 -7.823 1.00 0.00 H new ATOM 0 HA GLU A 21 9.118 -3.233 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.188 -5.493 -7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.132 -4.419 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.116 -6.391 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.373 -6.562 -9.319 1.00 0.00 H new ATOM 342 N LEU A 22 9.669 -3.221 -5.869 1.00 0.00 N ATOM 343 CA LEU A 22 9.568 -2.425 -4.648 1.00 0.00 C ATOM 344 C LEU A 22 9.997 -0.979 -4.883 1.00 0.00 C ATOM 345 O LEU A 22 9.296 -0.043 -4.499 1.00 0.00 O ATOM 346 CB LEU A 22 10.425 -3.042 -3.537 1.00 0.00 C ATOM 347 CG LEU A 22 9.934 -4.390 -3.001 1.00 0.00 C ATOM 348 CD1 LEU A 22 10.912 -4.946 -1.977 1.00 0.00 C ATOM 349 CD2 LEU A 22 8.551 -4.247 -2.384 1.00 0.00 C ATOM 0 H LEU A 22 10.286 -4.029 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 22 8.521 -2.425 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.441 -3.167 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.476 -2.337 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 22 9.872 -5.088 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.546 -5.904 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.887 -5.085 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.004 -4.248 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.218 -5.215 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.592 -3.533 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.851 -3.891 -3.139 1.00 0.00 H new ATOM 361 N LYS A 23 11.152 -0.802 -5.516 1.00 0.00 N ATOM 362 CA LYS A 23 11.683 0.531 -5.788 1.00 0.00 C ATOM 363 C LYS A 23 10.832 1.274 -6.816 1.00 0.00 C ATOM 364 O LYS A 23 10.710 2.497 -6.761 1.00 0.00 O ATOM 365 CB LYS A 23 13.129 0.434 -6.281 1.00 0.00 C ATOM 366 CG LYS A 23 13.291 -0.421 -7.527 1.00 0.00 C ATOM 367 CD LYS A 23 14.744 -0.495 -7.969 1.00 0.00 C ATOM 368 CE LYS A 23 14.898 -1.325 -9.234 1.00 0.00 C ATOM 369 NZ LYS A 23 16.315 -1.395 -9.686 1.00 0.00 N ATOM 0 H LYS A 23 11.740 -1.565 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 23 11.656 1.095 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.502 1.437 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.749 0.022 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.918 -1.426 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.685 -0.008 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.124 0.511 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.347 -0.929 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.525 -2.333 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.285 -0.895 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.376 -1.970 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.664 -0.435 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.896 -1.829 -8.941 1.00 0.00 H new ATOM 383 N ARG A 24 10.245 0.532 -7.749 1.00 0.00 N ATOM 384 CA ARG A 24 9.414 1.131 -8.790 1.00 0.00 C ATOM 385 C ARG A 24 8.150 1.759 -8.209 1.00 0.00 C ATOM 386 O ARG A 24 7.849 2.923 -8.475 1.00 0.00 O ATOM 387 CB ARG A 24 9.033 0.085 -9.838 1.00 0.00 C ATOM 388 CG ARG A 24 10.198 -0.374 -10.697 1.00 0.00 C ATOM 389 CD ARG A 24 9.760 -1.416 -11.713 1.00 0.00 C ATOM 390 NE ARG A 24 8.799 -0.873 -12.669 1.00 0.00 N ATOM 391 CZ ARG A 24 8.454 -1.484 -13.799 1.00 0.00 C ATOM 392 NH1 ARG A 24 8.993 -2.655 -14.114 1.00 0.00 N ATOM 393 NH2 ARG A 24 7.571 -0.924 -14.614 1.00 0.00 N ATOM 0 H ARG A 24 10.328 -0.483 -7.807 1.00 0.00 H new ATOM 0 HA ARG A 24 10.001 1.919 -9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.602 -0.780 -9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.258 0.497 -10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.630 0.482 -11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.980 -0.790 -10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.633 -1.791 -12.248 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.316 -2.265 -11.194 1.00 0.00 H new ATOM 0 HE ARG A 24 8.367 0.027 -12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.673 -3.088 -13.489 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.727 -3.122 -14.981 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.155 -0.024 -14.375 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.307 -1.393 -15.480 1.00 0.00 H new ATOM 407 N PHE A 25 7.415 0.984 -7.418 1.00 0.00 N ATOM 408 CA PHE A 25 6.177 1.462 -6.810 1.00 0.00 C ATOM 409 C PHE A 25 6.409 2.745 -6.016 1.00 0.00 C ATOM 410 O PHE A 25 5.600 3.672 -6.069 1.00 0.00 O ATOM 411 CB PHE A 25 5.580 0.382 -5.904 1.00 0.00 C ATOM 412 CG PHE A 25 4.330 0.813 -5.189 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.154 1.031 -5.888 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.333 0.997 -3.816 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.004 1.425 -5.231 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.187 1.391 -3.152 1.00 0.00 C ATOM 417 CZ PHE A 25 2.020 1.605 -3.861 1.00 0.00 C ATOM 0 H PHE A 25 7.655 0.021 -7.182 1.00 0.00 H new ATOM 0 HA PHE A 25 5.473 1.684 -7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.358 -0.501 -6.504 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.326 0.087 -5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.136 0.891 -6.959 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.242 0.830 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.094 1.592 -5.788 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.203 1.531 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.122 1.912 -3.345 1.00 0.00 H new ATOM 427 N LYS A 26 7.516 2.793 -5.285 1.00 0.00 N ATOM 428 CA LYS A 26 7.851 3.963 -4.481 1.00 0.00 C ATOM 429 C LYS A 26 8.175 5.167 -5.362 1.00 0.00 C ATOM 430 O LYS A 26 8.005 6.313 -4.947 1.00 0.00 O ATOM 431 CB LYS A 26 9.042 3.658 -3.571 1.00 0.00 C ATOM 432 CG LYS A 26 8.704 2.751 -2.400 1.00 0.00 C ATOM 433 CD LYS A 26 9.917 2.520 -1.511 1.00 0.00 C ATOM 434 CE LYS A 26 9.552 1.735 -0.262 1.00 0.00 C ATOM 435 NZ LYS A 26 8.994 0.395 -0.592 1.00 0.00 N ATOM 0 H LYS A 26 8.197 2.036 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 26 6.981 4.206 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.830 3.192 -4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.444 4.596 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.900 3.195 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.336 1.795 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.682 1.981 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.348 3.480 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.437 1.616 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.823 2.298 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.758 -0.109 0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.135 0.509 -1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.699 -0.153 -1.126 1.00 0.00 H new ATOM 449 N TYR A 27 8.641 4.901 -6.577 1.00 0.00 N ATOM 450 CA TYR A 27 9.002 5.967 -7.505 1.00 0.00 C ATOM 451 C TYR A 27 7.769 6.670 -8.070 1.00 0.00 C ATOM 452 O TYR A 27 7.742 7.897 -8.176 1.00 0.00 O ATOM 453 CB TYR A 27 9.855 5.409 -8.645 1.00 0.00 C ATOM 454 CG TYR A 27 10.310 6.462 -9.633 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.190 7.468 -9.251 1.00 0.00 C ATOM 456 CD2 TYR A 27 9.854 6.452 -10.945 1.00 0.00 C ATOM 457 CE1 TYR A 27 11.602 8.433 -10.150 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.262 7.414 -11.850 1.00 0.00 C ATOM 459 CZ TYR A 27 11.136 8.402 -11.447 1.00 0.00 C ATOM 460 OH TYR A 27 11.543 9.363 -12.344 1.00 0.00 O ATOM 0 H TYR A 27 8.778 3.958 -6.942 1.00 0.00 H new ATOM 0 HA TYR A 27 9.579 6.705 -6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.731 4.915 -8.224 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.284 4.647 -9.176 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.557 7.496 -8.236 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.169 5.680 -11.263 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.286 9.208 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.898 7.392 -12.867 1.00 0.00 H new ATOM 0 HH TYR A 27 11.124 9.197 -13.214 1.00 0.00 H new ATOM 470 N PHE A 28 6.751 5.895 -8.434 1.00 0.00 N ATOM 471 CA PHE A 28 5.528 6.457 -8.999 1.00 0.00 C ATOM 472 C PHE A 28 4.678 7.142 -7.932 1.00 0.00 C ATOM 473 O PHE A 28 4.312 8.309 -8.079 1.00 0.00 O ATOM 474 CB PHE A 28 4.712 5.371 -9.700 1.00 0.00 C ATOM 475 CG PHE A 28 5.302 4.938 -11.012 1.00 0.00 C ATOM 476 CD1 PHE A 28 6.269 3.947 -11.059 1.00 0.00 C ATOM 477 CD2 PHE A 28 4.891 5.525 -12.198 1.00 0.00 C ATOM 478 CE1 PHE A 28 6.814 3.547 -12.265 1.00 0.00 C ATOM 479 CE2 PHE A 28 5.433 5.131 -13.407 1.00 0.00 C ATOM 480 CZ PHE A 28 6.396 4.140 -13.440 1.00 0.00 C ATOM 0 H PHE A 28 6.749 4.879 -8.348 1.00 0.00 H new ATOM 0 HA PHE A 28 5.822 7.210 -9.730 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.632 4.505 -9.042 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.700 5.739 -9.868 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.601 3.481 -10.143 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.138 6.299 -12.178 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.566 2.772 -12.288 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.105 5.597 -14.324 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.821 3.830 -14.383 1.00 0.00 H new ATOM 490 N ALA A 29 4.364 6.420 -6.861 1.00 0.00 N ATOM 491 CA ALA A 29 3.549 6.976 -5.787 1.00 0.00 C ATOM 492 C ALA A 29 4.246 8.158 -5.126 1.00 0.00 C ATOM 493 O ALA A 29 3.674 9.241 -5.004 1.00 0.00 O ATOM 494 CB ALA A 29 3.237 5.909 -4.752 1.00 0.00 C ATOM 0 H ALA A 29 4.659 5.455 -6.714 1.00 0.00 H new ATOM 0 HA ALA A 29 2.615 7.330 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.628 6.340 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.692 5.092 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.167 5.528 -4.330 1.00 0.00 H new ATOM 500 N LEU A 30 5.487 7.944 -4.701 1.00 0.00 N ATOM 501 CA LEU A 30 6.264 8.994 -4.056 1.00 0.00 C ATOM 502 C LEU A 30 7.202 9.663 -5.055 1.00 0.00 C ATOM 503 O LEU A 30 8.324 9.203 -5.269 1.00 0.00 O ATOM 504 CB LEU A 30 7.059 8.430 -2.872 1.00 0.00 C ATOM 505 CG LEU A 30 6.250 7.622 -1.845 1.00 0.00 C ATOM 506 CD1 LEU A 30 4.914 8.289 -1.542 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.040 6.195 -2.329 1.00 0.00 C ATOM 0 H LEU A 30 5.975 7.053 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 30 5.570 9.745 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.853 7.793 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.541 9.260 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 30 6.824 7.592 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.367 7.692 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.089 9.286 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.330 8.366 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.465 5.640 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.497 6.208 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.007 5.714 -2.473 1.00 0.00 H new ATOM 519 N THR A 31 6.732 10.743 -5.670 1.00 0.00 N ATOM 520 CA THR A 31 7.527 11.471 -6.652 1.00 0.00 C ATOM 521 C THR A 31 8.356 12.573 -6.001 1.00 0.00 C ATOM 522 O THR A 31 9.557 12.685 -6.248 1.00 0.00 O ATOM 523 CB THR A 31 6.635 12.098 -7.739 1.00 0.00 C ATOM 524 OG1 THR A 31 5.720 13.028 -7.147 1.00 0.00 O ATOM 525 CG2 THR A 31 5.861 11.024 -8.487 1.00 0.00 C ATOM 0 H THR A 31 5.804 11.134 -5.506 1.00 0.00 H new ATOM 0 HA THR A 31 8.198 10.743 -7.107 1.00 0.00 H new ATOM 0 HB THR A 31 7.277 12.622 -8.447 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.158 13.423 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.237 11.490 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.560 10.335 -8.961 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.230 10.476 -7.787 1.00 0.00 H new ATOM 533 N GLU A 32 7.708 13.385 -5.171 1.00 0.00 N ATOM 534 CA GLU A 32 8.386 14.486 -4.496 1.00 0.00 C ATOM 535 C GLU A 32 8.849 14.093 -3.096 1.00 0.00 C ATOM 536 O GLU A 32 9.392 14.920 -2.365 1.00 0.00 O ATOM 537 CB GLU A 32 7.467 15.707 -4.414 1.00 0.00 C ATOM 538 CG GLU A 32 6.163 15.441 -3.676 1.00 0.00 C ATOM 539 CD GLU A 32 5.334 16.698 -3.492 1.00 0.00 C ATOM 540 OE1 GLU A 32 4.607 17.074 -4.437 1.00 0.00 O ATOM 541 OE2 GLU A 32 5.411 17.306 -2.404 1.00 0.00 O ATOM 0 H GLU A 32 6.716 13.301 -4.950 1.00 0.00 H new ATOM 0 HA GLU A 32 9.269 14.735 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.998 16.518 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.240 16.049 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.581 14.703 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.383 15.008 -2.700 1.00 0.00 H new ATOM 548 N PHE A 33 8.636 12.833 -2.722 1.00 0.00 N ATOM 549 CA PHE A 33 9.040 12.368 -1.397 1.00 0.00 C ATOM 550 C PHE A 33 10.353 11.590 -1.461 1.00 0.00 C ATOM 551 O PHE A 33 11.089 11.522 -0.476 1.00 0.00 O ATOM 552 CB PHE A 33 7.945 11.495 -0.785 1.00 0.00 C ATOM 553 CG PHE A 33 6.593 12.152 -0.761 1.00 0.00 C ATOM 554 CD1 PHE A 33 6.337 13.213 0.093 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.578 11.707 -1.595 1.00 0.00 C ATOM 556 CE1 PHE A 33 5.095 13.817 0.117 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.334 12.308 -1.573 1.00 0.00 C ATOM 558 CZ PHE A 33 4.092 13.364 -0.717 1.00 0.00 C ATOM 0 H PHE A 33 8.193 12.125 -3.308 1.00 0.00 H new ATOM 0 HA PHE A 33 9.193 13.244 -0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.877 10.564 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.229 11.231 0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.118 13.572 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.762 10.883 -2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.909 14.643 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.551 11.952 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.120 13.835 -0.700 1.00 0.00 H new ATOM 568 N GLN A 34 10.640 11.017 -2.629 1.00 0.00 N ATOM 569 CA GLN A 34 11.872 10.258 -2.844 1.00 0.00 C ATOM 570 C GLN A 34 12.215 9.365 -1.648 1.00 0.00 C ATOM 571 O GLN A 34 13.188 9.618 -0.937 1.00 0.00 O ATOM 572 CB GLN A 34 13.035 11.211 -3.136 1.00 0.00 C ATOM 573 CG GLN A 34 14.299 10.508 -3.599 1.00 0.00 C ATOM 574 CD GLN A 34 14.088 9.701 -4.866 1.00 0.00 C ATOM 575 OE1 GLN A 34 14.242 10.214 -5.974 1.00 0.00 O ATOM 576 NE2 GLN A 34 13.736 8.431 -4.706 1.00 0.00 N ATOM 0 H GLN A 34 10.032 11.065 -3.446 1.00 0.00 H new ATOM 0 HA GLN A 34 11.708 9.608 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.726 11.924 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.258 11.785 -2.236 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.080 11.249 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.654 9.848 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.620 8.048 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.582 7.838 -5.521 1.00 0.00 H new ATOM 585 N ILE A 35 11.409 8.332 -1.420 1.00 0.00 N ATOM 586 CA ILE A 35 11.650 7.415 -0.309 1.00 0.00 C ATOM 587 C ILE A 35 13.001 6.717 -0.458 1.00 0.00 C ATOM 588 O ILE A 35 13.400 6.338 -1.560 1.00 0.00 O ATOM 589 CB ILE A 35 10.528 6.359 -0.186 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.260 7.008 0.377 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.971 5.196 0.697 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.102 6.045 0.549 1.00 0.00 C ATOM 0 H ILE A 35 10.589 8.109 -1.985 1.00 0.00 H new ATOM 0 HA ILE A 35 11.658 8.014 0.602 1.00 0.00 H new ATOM 0 HB ILE A 35 10.312 5.964 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.492 7.458 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.952 7.816 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.165 4.466 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.851 4.723 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.214 5.567 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.241 6.579 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.841 5.613 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.389 5.249 1.236 1.00 0.00 H new ATOM 604 N ALA A 36 13.696 6.552 0.664 1.00 0.00 N ATOM 605 CA ALA A 36 15.006 5.911 0.678 1.00 0.00 C ATOM 606 C ALA A 36 14.916 4.433 0.308 1.00 0.00 C ATOM 607 O ALA A 36 13.967 3.745 0.680 1.00 0.00 O ATOM 608 CB ALA A 36 15.649 6.076 2.044 1.00 0.00 C ATOM 0 H ALA A 36 13.370 6.856 1.581 1.00 0.00 H new ATOM 0 HA ALA A 36 15.626 6.399 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.627 5.595 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.766 7.137 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.016 5.615 2.802 1.00 0.00 H new ATOM 614 N ARG A 37 15.909 3.956 -0.436 1.00 0.00 N ATOM 615 CA ARG A 37 15.958 2.561 -0.861 1.00 0.00 C ATOM 616 C ARG A 37 16.175 1.622 0.325 1.00 0.00 C ATOM 617 O ARG A 37 15.642 0.513 0.356 1.00 0.00 O ATOM 618 CB ARG A 37 17.075 2.361 -1.887 1.00 0.00 C ATOM 619 CG ARG A 37 18.437 2.833 -1.401 1.00 0.00 C ATOM 620 CD ARG A 37 19.520 2.566 -2.432 1.00 0.00 C ATOM 621 NE ARG A 37 20.825 3.058 -1.997 1.00 0.00 N ATOM 622 CZ ARG A 37 21.892 3.124 -2.789 1.00 0.00 C ATOM 623 NH1 ARG A 37 21.807 2.736 -4.055 1.00 0.00 N ATOM 624 NH2 ARG A 37 23.042 3.581 -2.316 1.00 0.00 N ATOM 0 H ARG A 37 16.696 4.519 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 37 14.997 2.319 -1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.136 1.304 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.818 2.897 -2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.397 3.900 -1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.688 2.326 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.582 1.495 -2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.249 3.043 -3.374 1.00 0.00 H new ATOM 0 HE ARG A 37 20.924 3.369 -1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.922 2.386 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.626 2.788 -4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 37 23.110 3.883 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.860 3.631 -2.924 1.00 0.00 H new ATOM 638 N SER A 38 16.963 2.075 1.294 1.00 0.00 N ATOM 639 CA SER A 38 17.268 1.274 2.477 1.00 0.00 C ATOM 640 C SER A 38 16.004 0.916 3.254 1.00 0.00 C ATOM 641 O SER A 38 15.951 -0.118 3.921 1.00 0.00 O ATOM 642 CB SER A 38 18.240 2.030 3.385 1.00 0.00 C ATOM 643 OG SER A 38 17.676 3.250 3.834 1.00 0.00 O ATOM 0 H SER A 38 17.404 2.995 1.285 1.00 0.00 H new ATOM 0 HA SER A 38 17.730 0.346 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.499 1.409 4.242 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.165 2.231 2.845 1.00 0.00 H new ATOM 0 HG SER A 38 18.317 3.713 4.414 1.00 0.00 H new ATOM 649 N THR A 39 14.991 1.771 3.168 1.00 0.00 N ATOM 650 CA THR A 39 13.736 1.542 3.878 1.00 0.00 C ATOM 651 C THR A 39 13.057 0.253 3.426 1.00 0.00 C ATOM 652 O THR A 39 12.261 -0.321 4.163 1.00 0.00 O ATOM 653 CB THR A 39 12.751 2.709 3.682 1.00 0.00 C ATOM 654 OG1 THR A 39 12.313 2.759 2.319 1.00 0.00 O ATOM 655 CG2 THR A 39 13.396 4.032 4.063 1.00 0.00 C ATOM 0 H THR A 39 15.013 2.628 2.615 1.00 0.00 H new ATOM 0 HA THR A 39 13.997 1.461 4.933 1.00 0.00 H new ATOM 0 HB THR A 39 11.892 2.542 4.332 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.092 2.764 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.681 4.841 3.916 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.699 4.001 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.272 4.204 3.437 1.00 0.00 H new ATOM 663 N LEU A 40 13.382 -0.199 2.217 1.00 0.00 N ATOM 664 CA LEU A 40 12.789 -1.416 1.657 1.00 0.00 C ATOM 665 C LEU A 40 12.889 -2.605 2.615 1.00 0.00 C ATOM 666 O LEU A 40 12.144 -3.577 2.481 1.00 0.00 O ATOM 667 CB LEU A 40 13.459 -1.769 0.326 1.00 0.00 C ATOM 668 CG LEU A 40 12.783 -1.191 -0.922 1.00 0.00 C ATOM 669 CD1 LEU A 40 12.813 0.330 -0.900 1.00 0.00 C ATOM 670 CD2 LEU A 40 13.453 -1.719 -2.182 1.00 0.00 C ATOM 0 H LEU A 40 14.055 0.260 1.603 1.00 0.00 H new ATOM 0 HA LEU A 40 11.731 -1.210 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.491 -1.420 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.492 -2.854 0.231 1.00 0.00 H new ATOM 0 HG LEU A 40 11.741 -1.510 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.327 0.716 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.286 0.692 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.847 0.673 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.961 -1.299 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.504 -1.431 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.374 -2.806 -2.208 1.00 0.00 H new ATOM 682 N ASP A 41 13.802 -2.529 3.578 1.00 0.00 N ATOM 683 CA ASP A 41 13.984 -3.612 4.544 1.00 0.00 C ATOM 684 C ASP A 41 12.716 -3.850 5.361 1.00 0.00 C ATOM 685 O ASP A 41 12.365 -4.991 5.660 1.00 0.00 O ATOM 686 CB ASP A 41 15.160 -3.304 5.475 1.00 0.00 C ATOM 687 CG ASP A 41 16.502 -3.531 4.805 1.00 0.00 C ATOM 688 OD1 ASP A 41 17.016 -4.666 4.880 1.00 0.00 O ATOM 689 OD2 ASP A 41 17.036 -2.574 4.206 1.00 0.00 O ATOM 0 H ASP A 41 14.426 -1.733 3.712 1.00 0.00 H new ATOM 0 HA ASP A 41 14.200 -4.522 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.094 -2.269 5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.090 -3.931 6.364 1.00 0.00 H new ATOM 694 N VAL A 42 12.034 -2.767 5.722 1.00 0.00 N ATOM 695 CA VAL A 42 10.804 -2.853 6.505 1.00 0.00 C ATOM 696 C VAL A 42 9.771 -1.853 6.001 1.00 0.00 C ATOM 697 O VAL A 42 8.780 -1.571 6.674 1.00 0.00 O ATOM 698 CB VAL A 42 11.066 -2.587 7.998 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.823 -3.747 8.624 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.827 -1.283 8.185 1.00 0.00 C ATOM 0 H VAL A 42 12.313 -1.815 5.484 1.00 0.00 H new ATOM 0 HA VAL A 42 10.422 -3.867 6.387 1.00 0.00 H new ATOM 0 HB VAL A 42 10.105 -2.495 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.998 -3.540 9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.235 -4.660 8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.779 -3.874 8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 42 12.002 -1.113 9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.783 -1.342 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.242 -0.459 7.777 1.00 0.00 H new ATOM 710 N ALA A 43 10.021 -1.329 4.809 1.00 0.00 N ATOM 711 CA ALA A 43 9.147 -0.340 4.190 1.00 0.00 C ATOM 712 C ALA A 43 7.679 -0.733 4.246 1.00 0.00 C ATOM 713 O ALA A 43 6.818 0.102 4.496 1.00 0.00 O ATOM 714 CB ALA A 43 9.566 -0.111 2.747 1.00 0.00 C ATOM 0 H ALA A 43 10.834 -1.576 4.244 1.00 0.00 H new ATOM 0 HA ALA A 43 9.253 0.582 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.909 0.629 2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.594 0.250 2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.496 -1.048 2.195 1.00 0.00 H new ATOM 720 N ASP A 44 7.389 -2.006 4.061 1.00 0.00 N ATOM 721 CA ASP A 44 6.001 -2.443 4.036 1.00 0.00 C ATOM 722 C ASP A 44 5.251 -2.110 5.326 1.00 0.00 C ATOM 723 O ASP A 44 4.209 -1.455 5.283 1.00 0.00 O ATOM 724 CB ASP A 44 5.940 -3.951 3.784 1.00 0.00 C ATOM 725 CG ASP A 44 6.706 -4.744 4.824 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.937 -4.885 4.675 1.00 0.00 O ATOM 727 OD2 ASP A 44 6.073 -5.224 5.789 1.00 0.00 O ATOM 0 H ASP A 44 8.079 -2.746 3.928 1.00 0.00 H new ATOM 0 HA ASP A 44 5.510 -1.901 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.899 -4.274 3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.345 -4.168 2.795 1.00 0.00 H new ATOM 732 N ARG A 45 5.767 -2.551 6.467 1.00 0.00 N ATOM 733 CA ARG A 45 5.089 -2.293 7.737 1.00 0.00 C ATOM 734 C ARG A 45 5.330 -0.902 8.345 1.00 0.00 C ATOM 735 O ARG A 45 4.392 -0.126 8.524 1.00 0.00 O ATOM 736 CB ARG A 45 5.457 -3.377 8.755 1.00 0.00 C ATOM 737 CG ARG A 45 6.953 -3.613 8.907 1.00 0.00 C ATOM 738 CD ARG A 45 7.236 -4.870 9.715 1.00 0.00 C ATOM 739 NE ARG A 45 6.598 -6.049 9.134 1.00 0.00 N ATOM 740 CZ ARG A 45 6.715 -7.276 9.636 1.00 0.00 C ATOM 741 NH1 ARG A 45 7.451 -7.485 10.721 1.00 0.00 N ATOM 742 NH2 ARG A 45 6.096 -8.293 9.055 1.00 0.00 N ATOM 0 H ARG A 45 6.636 -3.079 6.543 1.00 0.00 H new ATOM 0 HA ARG A 45 4.025 -2.319 7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.044 -3.102 9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.982 -4.312 8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.411 -3.701 7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.411 -2.753 9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.313 -5.031 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.881 -4.732 10.736 1.00 0.00 H new ATOM 0 HE ARG A 45 6.030 -5.925 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.928 -6.704 11.172 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.539 -8.426 11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.529 -8.136 8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.187 -9.233 9.441 1.00 0.00 H new ATOM 756 N THR A 46 6.589 -0.596 8.669 1.00 0.00 N ATOM 757 CA THR A 46 6.932 0.661 9.348 1.00 0.00 C ATOM 758 C THR A 46 7.103 1.919 8.481 1.00 0.00 C ATOM 759 O THR A 46 6.405 2.913 8.682 1.00 0.00 O ATOM 760 CB THR A 46 8.219 0.480 10.175 1.00 0.00 C ATOM 761 OG1 THR A 46 8.083 -0.646 11.050 1.00 0.00 O ATOM 762 CG2 THR A 46 8.522 1.727 10.995 1.00 0.00 C ATOM 0 H THR A 46 7.388 -1.199 8.473 1.00 0.00 H new ATOM 0 HA THR A 46 6.047 0.853 9.955 1.00 0.00 H new ATOM 0 HB THR A 46 9.045 0.310 9.484 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.905 -0.756 11.571 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.435 1.572 11.569 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.653 2.579 10.327 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.694 1.924 11.676 1.00 0.00 H new ATOM 770 N GLU A 47 8.026 1.873 7.523 1.00 0.00 N ATOM 771 CA GLU A 47 8.362 3.060 6.723 1.00 0.00 C ATOM 772 C GLU A 47 7.298 3.522 5.723 1.00 0.00 C ATOM 773 O GLU A 47 6.803 4.643 5.827 1.00 0.00 O ATOM 774 CB GLU A 47 9.683 2.818 5.995 1.00 0.00 C ATOM 775 CG GLU A 47 10.898 3.312 6.764 1.00 0.00 C ATOM 776 CD GLU A 47 10.854 4.805 7.029 1.00 0.00 C ATOM 777 OE1 GLU A 47 11.253 5.579 6.134 1.00 0.00 O ATOM 778 OE2 GLU A 47 10.421 5.199 8.133 1.00 0.00 O ATOM 0 H GLU A 47 8.554 1.035 7.279 1.00 0.00 H new ATOM 0 HA GLU A 47 8.434 3.876 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.793 1.751 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.650 3.314 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.963 2.780 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.801 3.073 6.202 1.00 0.00 H new ATOM 785 N LEU A 48 6.942 2.676 4.768 1.00 0.00 N ATOM 786 CA LEU A 48 5.969 3.062 3.745 1.00 0.00 C ATOM 787 C LEU A 48 4.588 3.330 4.332 1.00 0.00 C ATOM 788 O LEU A 48 3.961 4.337 4.007 1.00 0.00 O ATOM 789 CB LEU A 48 5.875 1.993 2.653 1.00 0.00 C ATOM 790 CG LEU A 48 5.918 2.520 1.217 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.866 1.369 0.226 1.00 0.00 C ATOM 792 CD2 LEU A 48 4.776 3.494 0.964 1.00 0.00 C ATOM 0 H LEU A 48 7.305 1.727 4.676 1.00 0.00 H new ATOM 0 HA LEU A 48 6.327 3.993 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.694 1.286 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.948 1.437 2.791 1.00 0.00 H new ATOM 0 HG LEU A 48 6.858 3.054 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.897 1.762 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.720 0.711 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.943 0.807 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.827 3.856 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.824 2.988 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.858 4.337 1.650 1.00 0.00 H new ATOM 804 N ALA A 49 4.118 2.434 5.191 1.00 0.00 N ATOM 805 CA ALA A 49 2.801 2.585 5.799 1.00 0.00 C ATOM 806 C ALA A 49 2.642 3.938 6.488 1.00 0.00 C ATOM 807 O ALA A 49 1.706 4.682 6.199 1.00 0.00 O ATOM 808 CB ALA A 49 2.544 1.457 6.785 1.00 0.00 C ATOM 0 H ALA A 49 4.626 1.599 5.482 1.00 0.00 H new ATOM 0 HA ALA A 49 2.063 2.537 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.558 1.582 7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.588 0.501 6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.302 1.478 7.568 1.00 0.00 H new ATOM 814 N ASP A 50 3.558 4.254 7.395 1.00 0.00 N ATOM 815 CA ASP A 50 3.503 5.517 8.127 1.00 0.00 C ATOM 816 C ASP A 50 3.757 6.715 7.214 1.00 0.00 C ATOM 817 O ASP A 50 3.186 7.789 7.410 1.00 0.00 O ATOM 818 CB ASP A 50 4.522 5.512 9.269 1.00 0.00 C ATOM 819 CG ASP A 50 4.486 6.795 10.078 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.707 6.860 11.052 1.00 0.00 O ATOM 821 OD2 ASP A 50 5.235 7.733 9.736 1.00 0.00 O ATOM 0 H ASP A 50 4.347 3.656 7.642 1.00 0.00 H new ATOM 0 HA ASP A 50 2.497 5.614 8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.324 4.665 9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.522 5.371 8.860 1.00 0.00 H new ATOM 826 N HIS A 51 4.618 6.527 6.219 1.00 0.00 N ATOM 827 CA HIS A 51 4.969 7.598 5.288 1.00 0.00 C ATOM 828 C HIS A 51 3.758 8.110 4.508 1.00 0.00 C ATOM 829 O HIS A 51 3.438 9.298 4.559 1.00 0.00 O ATOM 830 CB HIS A 51 6.044 7.116 4.313 1.00 0.00 C ATOM 831 CG HIS A 51 6.483 8.165 3.340 1.00 0.00 C ATOM 832 ND1 HIS A 51 5.938 8.324 2.085 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.434 9.125 3.459 1.00 0.00 C ATOM 834 CE1 HIS A 51 6.561 9.351 1.495 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.477 9.873 2.286 1.00 0.00 N ATOM 0 H HIS A 51 5.088 5.641 6.035 1.00 0.00 H new ATOM 0 HA HIS A 51 5.352 8.427 5.882 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.909 6.773 4.880 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.663 6.257 3.761 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.192 7.760 1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.058 9.284 4.326 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.341 9.706 0.499 1.00 0.00 H new ATOM 843 N LEU A 52 3.090 7.215 3.786 1.00 0.00 N ATOM 844 CA LEU A 52 1.930 7.589 2.979 1.00 0.00 C ATOM 845 C LEU A 52 0.857 8.300 3.805 1.00 0.00 C ATOM 846 O LEU A 52 0.149 9.168 3.292 1.00 0.00 O ATOM 847 CB LEU A 52 1.339 6.359 2.286 1.00 0.00 C ATOM 848 CG LEU A 52 1.161 5.126 3.172 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.195 5.145 3.860 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.327 3.860 2.347 1.00 0.00 C ATOM 0 H LEU A 52 3.331 6.225 3.742 1.00 0.00 H new ATOM 0 HA LEU A 52 2.278 8.292 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.368 6.629 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.982 6.092 1.447 1.00 0.00 H new ATOM 0 HG LEU A 52 1.929 5.142 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.298 4.258 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.276 6.037 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.984 5.153 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.198 2.988 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.579 3.841 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.323 3.841 1.905 1.00 0.00 H new ATOM 862 N ILE A 53 0.735 7.930 5.075 1.00 0.00 N ATOM 863 CA ILE A 53 -0.259 8.540 5.956 1.00 0.00 C ATOM 864 C ILE A 53 -0.021 10.040 6.111 1.00 0.00 C ATOM 865 O ILE A 53 -0.966 10.818 6.249 1.00 0.00 O ATOM 866 CB ILE A 53 -0.255 7.878 7.349 1.00 0.00 C ATOM 867 CG1 ILE A 53 -0.632 6.400 7.233 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.212 8.603 8.287 1.00 0.00 C ATOM 869 CD1 ILE A 53 -0.448 5.623 8.519 1.00 0.00 C ATOM 0 H ILE A 53 1.309 7.213 5.518 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.232 8.382 5.490 1.00 0.00 H new ATOM 0 HB ILE A 53 0.750 7.948 7.765 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.673 6.323 6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.028 5.940 6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.196 8.123 9.265 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.903 9.643 8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.222 8.562 7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.735 4.584 8.360 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.597 5.668 8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.073 6.057 9.299 1.00 0.00 H new ATOM 881 N GLN A 54 1.243 10.441 6.092 1.00 0.00 N ATOM 882 CA GLN A 54 1.600 11.847 6.235 1.00 0.00 C ATOM 883 C GLN A 54 1.279 12.632 4.963 1.00 0.00 C ATOM 884 O GLN A 54 1.022 13.835 5.015 1.00 0.00 O ATOM 885 CB GLN A 54 3.087 11.982 6.578 1.00 0.00 C ATOM 886 CG GLN A 54 3.575 13.419 6.660 1.00 0.00 C ATOM 887 CD GLN A 54 2.819 14.244 7.687 1.00 0.00 C ATOM 888 OE1 GLN A 54 2.360 13.595 8.752 1.00 0.00 O flip ATOM 889 NE2 GLN A 54 2.654 15.453 7.527 1.00 0.00 N flip ATOM 0 H GLN A 54 2.039 9.813 5.979 1.00 0.00 H new ATOM 0 HA GLN A 54 1.006 12.265 7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.275 11.490 7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.672 11.453 5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.636 13.423 6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.475 13.887 5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.023 15.912 6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.148 15.996 8.227 1.00 0.00 H new ATOM 898 N SER A 55 1.290 11.945 3.824 1.00 0.00 N ATOM 899 CA SER A 55 1.011 12.588 2.542 1.00 0.00 C ATOM 900 C SER A 55 -0.458 12.988 2.413 1.00 0.00 C ATOM 901 O SER A 55 -0.771 14.162 2.212 1.00 0.00 O ATOM 902 CB SER A 55 1.394 11.658 1.389 1.00 0.00 C ATOM 903 OG SER A 55 1.124 12.262 0.135 1.00 0.00 O ATOM 0 H SER A 55 1.488 10.946 3.762 1.00 0.00 H new ATOM 0 HA SER A 55 1.612 13.496 2.496 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.453 11.408 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.840 10.723 1.473 1.00 0.00 H new ATOM 0 HG SER A 55 1.965 12.554 -0.275 1.00 0.00 H new ATOM 909 N ALA A 56 -1.357 12.012 2.528 1.00 0.00 N ATOM 910 CA ALA A 56 -2.788 12.283 2.410 1.00 0.00 C ATOM 911 C ALA A 56 -3.560 11.818 3.641 1.00 0.00 C ATOM 912 O ALA A 56 -4.529 12.455 4.051 1.00 0.00 O ATOM 913 CB ALA A 56 -3.345 11.621 1.158 1.00 0.00 C ATOM 0 H ALA A 56 -1.123 11.035 2.701 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.913 13.363 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.412 11.830 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.833 12.015 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.189 10.544 1.216 1.00 0.00 H new ATOM 919 N GLY A 57 -3.126 10.706 4.226 1.00 0.00 N ATOM 920 CA GLY A 57 -3.795 10.176 5.400 1.00 0.00 C ATOM 921 C GLY A 57 -3.795 8.661 5.430 1.00 0.00 C ATOM 922 O GLY A 57 -3.250 8.019 4.534 1.00 0.00 O ATOM 0 H GLY A 57 -2.323 10.163 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.304 10.554 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.823 10.537 5.423 1.00 0.00 H new ATOM 926 N ALA A 58 -4.409 8.088 6.461 1.00 0.00 N ATOM 927 CA ALA A 58 -4.470 6.639 6.599 1.00 0.00 C ATOM 928 C ALA A 58 -5.409 6.018 5.571 1.00 0.00 C ATOM 929 O ALA A 58 -4.967 5.338 4.645 1.00 0.00 O ATOM 930 CB ALA A 58 -4.905 6.260 8.007 1.00 0.00 C ATOM 0 H ALA A 58 -4.870 8.604 7.210 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.470 6.246 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.946 5.174 8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.190 6.656 8.728 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.891 6.678 8.208 1.00 0.00 H new ATOM 936 N ALA A 59 -6.705 6.264 5.731 1.00 0.00 N ATOM 937 CA ALA A 59 -7.706 5.720 4.819 1.00 0.00 C ATOM 938 C ALA A 59 -7.564 6.300 3.416 1.00 0.00 C ATOM 939 O ALA A 59 -7.786 5.608 2.424 1.00 0.00 O ATOM 940 CB ALA A 59 -9.105 5.983 5.358 1.00 0.00 C ATOM 0 H ALA A 59 -7.087 6.837 6.484 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.543 4.644 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.843 5.573 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.215 5.508 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.260 7.057 5.459 1.00 0.00 H new ATOM 946 N SER A 60 -7.186 7.571 3.340 1.00 0.00 N ATOM 947 CA SER A 60 -7.026 8.249 2.057 1.00 0.00 C ATOM 948 C SER A 60 -5.936 7.600 1.204 1.00 0.00 C ATOM 949 O SER A 60 -6.139 7.344 0.017 1.00 0.00 O ATOM 950 CB SER A 60 -6.694 9.726 2.281 1.00 0.00 C ATOM 951 OG SER A 60 -7.730 10.380 2.992 1.00 0.00 O ATOM 0 H SER A 60 -6.984 8.154 4.152 1.00 0.00 H new ATOM 0 HA SER A 60 -7.970 8.161 1.519 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.759 9.812 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.542 10.217 1.320 1.00 0.00 H new ATOM 0 HG SER A 60 -7.493 11.322 3.124 1.00 0.00 H new ATOM 957 N ALA A 61 -4.783 7.344 1.810 1.00 0.00 N ATOM 958 CA ALA A 61 -3.660 6.743 1.095 1.00 0.00 C ATOM 959 C ALA A 61 -3.898 5.268 0.773 1.00 0.00 C ATOM 960 O ALA A 61 -3.603 4.817 -0.332 1.00 0.00 O ATOM 961 CB ALA A 61 -2.381 6.908 1.898 1.00 0.00 C ATOM 0 H ALA A 61 -4.600 7.542 2.794 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.563 7.267 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.550 6.456 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.181 7.969 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.493 6.417 2.865 1.00 0.00 H new ATOM 967 N VAL A 62 -4.426 4.524 1.740 1.00 0.00 N ATOM 968 CA VAL A 62 -4.681 3.097 1.555 1.00 0.00 C ATOM 969 C VAL A 62 -5.629 2.832 0.384 1.00 0.00 C ATOM 970 O VAL A 62 -5.483 1.834 -0.324 1.00 0.00 O ATOM 971 CB VAL A 62 -5.258 2.459 2.840 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.683 1.020 2.593 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.235 2.524 3.965 1.00 0.00 C ATOM 0 H VAL A 62 -4.686 4.883 2.659 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.719 2.638 1.329 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.142 3.026 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.085 0.596 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.448 0.995 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.821 0.436 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.654 2.072 4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.336 1.982 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.982 3.565 4.167 1.00 0.00 H new ATOM 983 N THR A 63 -6.591 3.726 0.177 1.00 0.00 N ATOM 984 CA THR A 63 -7.556 3.567 -0.908 1.00 0.00 C ATOM 985 C THR A 63 -6.899 3.728 -2.277 1.00 0.00 C ATOM 986 O THR A 63 -7.032 2.862 -3.141 1.00 0.00 O ATOM 987 CB THR A 63 -8.715 4.573 -0.787 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.202 5.899 -0.626 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.614 4.221 0.388 1.00 0.00 C ATOM 0 H THR A 63 -6.724 4.564 0.743 1.00 0.00 H new ATOM 0 HA THR A 63 -7.950 2.555 -0.820 1.00 0.00 H new ATOM 0 HB THR A 63 -9.305 4.526 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.272 5.855 -0.319 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.426 4.945 0.455 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.028 3.223 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.033 4.242 1.310 1.00 0.00 H new ATOM 997 N LYS A 64 -6.192 4.837 -2.471 1.00 0.00 N ATOM 998 CA LYS A 64 -5.526 5.105 -3.742 1.00 0.00 C ATOM 999 C LYS A 64 -4.329 4.180 -3.948 1.00 0.00 C ATOM 1000 O LYS A 64 -3.901 3.949 -5.079 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.081 6.569 -3.812 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.158 6.993 -2.678 1.00 0.00 C ATOM 1003 CD LYS A 64 -2.699 6.722 -3.012 1.00 0.00 C ATOM 1004 CE LYS A 64 -1.770 7.260 -1.937 1.00 0.00 C ATOM 1005 NZ LYS A 64 -0.345 6.942 -2.229 1.00 0.00 N ATOM 0 H LYS A 64 -6.065 5.563 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.242 4.912 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.574 6.738 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.965 7.207 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.294 8.055 -2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.429 6.458 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.544 5.649 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.453 7.181 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.893 8.340 -1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.047 6.836 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.258 7.325 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.223 5.910 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.074 7.368 -3.138 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.793 3.655 -2.851 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.643 2.758 -2.913 1.00 0.00 C ATOM 1021 C ALA A 65 -2.942 1.540 -3.779 1.00 0.00 C ATOM 1022 O ALA A 65 -2.051 0.992 -4.429 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.236 2.322 -1.515 1.00 0.00 C ATOM 0 H ALA A 65 -4.136 3.835 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.816 3.303 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.377 1.654 -1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.971 3.198 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.067 1.801 -1.040 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.201 1.120 -3.781 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.624 -0.034 -4.562 1.00 0.00 C ATOM 1031 C ILE A 66 -4.646 0.285 -6.054 1.00 0.00 C ATOM 1032 O ILE A 66 -4.178 -0.506 -6.871 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.024 -0.518 -4.129 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.992 -1.027 -2.684 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.535 -1.603 -5.068 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.119 -2.249 -2.482 1.00 0.00 C ATOM 0 H ILE A 66 -4.949 1.564 -3.248 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.898 -0.826 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.710 0.328 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.636 -0.227 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.009 -1.263 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.523 -1.929 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.598 -1.207 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.850 -2.451 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.149 -2.548 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.487 -3.066 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.093 -2.013 -2.763 1.00 0.00 H new ATOM 1048 N ASN A 67 -5.188 1.448 -6.398 1.00 0.00 N ATOM 1049 CA ASN A 67 -5.290 1.871 -7.793 1.00 0.00 C ATOM 1050 C ASN A 67 -3.917 1.993 -8.454 1.00 0.00 C ATOM 1051 O ASN A 67 -3.752 1.646 -9.623 1.00 0.00 O ATOM 1052 CB ASN A 67 -6.029 3.208 -7.882 1.00 0.00 C ATOM 1053 CG ASN A 67 -6.258 3.655 -9.313 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -6.431 2.696 -10.215 1.00 0.00 O flip ATOM 1055 ND2 ASN A 67 -6.281 4.852 -9.605 1.00 0.00 N flip ATOM 0 H ASN A 67 -5.565 2.118 -5.728 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.850 1.104 -8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.990 3.122 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.457 3.971 -7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.143 5.556 -8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.438 5.138 -10.571 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.940 2.496 -7.708 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.589 2.671 -8.237 1.00 0.00 C ATOM 1064 C ILE A 68 -0.831 1.347 -8.318 1.00 0.00 C ATOM 1065 O ILE A 68 -0.286 0.999 -9.364 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.772 3.658 -7.378 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.531 4.977 -7.216 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.595 3.899 -8.006 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.883 5.935 -6.238 1.00 0.00 C ATOM 0 H ILE A 68 -3.056 2.789 -6.738 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.707 3.074 -9.243 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.625 3.223 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.610 5.463 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.547 4.763 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.161 4.597 -7.389 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.136 2.955 -8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.468 4.317 -9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.476 6.847 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.828 5.469 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.123 6.179 -6.580 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.804 0.618 -7.208 1.00 0.00 N ATOM 1082 CA PHE A 69 -0.092 -0.655 -7.131 1.00 0.00 C ATOM 1083 C PHE A 69 -0.568 -1.655 -8.182 1.00 0.00 C ATOM 1084 O PHE A 69 0.237 -2.378 -8.768 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.257 -1.266 -5.739 1.00 0.00 C ATOM 1086 CG PHE A 69 0.570 -2.501 -5.523 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.931 -2.407 -5.278 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.014 -3.757 -5.564 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.694 -3.542 -5.077 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.743 -4.896 -5.365 1.00 0.00 C ATOM 1091 CZ PHE A 69 2.099 -4.788 -5.121 1.00 0.00 C ATOM 0 H PHE A 69 -1.270 0.889 -6.342 1.00 0.00 H new ATOM 0 HA PHE A 69 0.959 -0.443 -7.327 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.014 -0.522 -4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.307 -1.510 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.401 -1.435 -5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.073 -3.847 -5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.753 -3.455 -4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.276 -5.869 -5.400 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.693 -5.677 -4.965 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.873 -1.695 -8.417 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.442 -2.636 -9.376 1.00 0.00 C ATOM 1103 C GLN A 70 -1.945 -2.390 -10.803 1.00 0.00 C ATOM 1104 O GLN A 70 -1.274 -3.238 -11.388 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.979 -2.602 -9.321 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.600 -1.256 -9.662 1.00 0.00 C ATOM 1107 CD GLN A 70 -6.087 -1.204 -9.360 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.515 -1.948 -8.346 1.00 0.00 O flip ATOM 1109 NE2 GLN A 70 -6.842 -0.500 -10.030 1.00 0.00 N flip ATOM 0 H GLN A 70 -2.556 -1.090 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.100 -3.630 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.370 -3.351 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.299 -2.891 -8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.092 -0.473 -9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.440 -1.044 -10.719 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.471 0.056 -10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.839 -0.473 -9.815 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.243 -1.220 -11.345 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.862 -0.882 -12.712 1.00 0.00 C ATOM 1120 C LYS A 71 -0.349 -0.789 -12.888 1.00 0.00 C ATOM 1121 O LYS A 71 0.137 -0.655 -14.013 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.515 0.442 -13.120 1.00 0.00 C ATOM 1123 CG LYS A 71 -2.409 0.750 -14.606 1.00 0.00 C ATOM 1124 CD LYS A 71 -3.076 2.075 -14.952 1.00 0.00 C ATOM 1125 CE LYS A 71 -2.337 3.255 -14.337 1.00 0.00 C ATOM 1126 NZ LYS A 71 -0.934 3.347 -14.826 1.00 0.00 N ATOM 0 H LYS A 71 -2.751 -0.482 -10.857 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.215 -1.687 -13.357 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.568 0.419 -12.838 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.052 1.253 -12.557 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.359 0.783 -14.897 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.874 -0.053 -15.179 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.112 2.192 -16.035 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.107 2.067 -14.598 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.866 4.178 -14.575 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.337 3.158 -13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.558 4.295 -14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.351 2.633 -14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.912 3.177 -15.852 1.00 0.00 H new ATOM 1140 N LEU A 72 0.404 -0.861 -11.794 1.00 0.00 N ATOM 1141 CA LEU A 72 1.854 -0.724 -11.892 1.00 0.00 C ATOM 1142 C LEU A 72 2.623 -2.040 -11.850 1.00 0.00 C ATOM 1143 O LEU A 72 3.578 -2.217 -12.607 1.00 0.00 O ATOM 1144 CB LEU A 72 2.344 0.125 -10.730 1.00 0.00 C ATOM 1145 CG LEU A 72 2.746 1.557 -11.077 1.00 0.00 C ATOM 1146 CD1 LEU A 72 3.905 1.566 -12.064 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.560 2.332 -11.635 1.00 0.00 C ATOM 0 H LEU A 72 0.046 -1.010 -10.851 1.00 0.00 H new ATOM 0 HA LEU A 72 2.043 -0.272 -12.866 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.559 0.161 -9.974 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.201 -0.373 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 72 3.073 2.049 -10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.176 2.596 -12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.762 1.057 -11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.608 1.052 -12.978 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.870 3.349 -11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.197 1.841 -12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.763 2.362 -10.892 1.00 0.00 H new ATOM 1159 N ASN A 73 2.228 -2.963 -10.983 1.00 0.00 N ATOM 1160 CA ASN A 73 2.964 -4.222 -10.881 1.00 0.00 C ATOM 1161 C ASN A 73 2.109 -5.476 -11.052 1.00 0.00 C ATOM 1162 O ASN A 73 2.425 -6.340 -11.870 1.00 0.00 O ATOM 1163 CB ASN A 73 3.681 -4.283 -9.533 1.00 0.00 C ATOM 1164 CG ASN A 73 4.562 -3.072 -9.291 1.00 0.00 C ATOM 1165 OD1 ASN A 73 4.001 -2.050 -8.655 1.00 0.00 O flip ATOM 1166 ND2 ASN A 73 5.733 -3.055 -9.669 1.00 0.00 N flip ATOM 0 H ASN A 73 1.428 -2.873 -10.357 1.00 0.00 H new ATOM 0 HA ASN A 73 3.669 -4.222 -11.712 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.942 -4.357 -8.735 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.290 -5.186 -9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.124 -3.862 -10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.313 -2.233 -9.497 1.00 0.00 H new ATOM 1173 N TYR A 74 1.031 -5.572 -10.283 1.00 0.00 N ATOM 1174 CA TYR A 74 0.187 -6.772 -10.313 1.00 0.00 C ATOM 1175 C TYR A 74 -1.308 -6.463 -10.262 1.00 0.00 C ATOM 1176 O TYR A 74 -1.992 -6.846 -9.312 1.00 0.00 O ATOM 1177 CB TYR A 74 0.569 -7.705 -9.163 1.00 0.00 C ATOM 1178 CG TYR A 74 1.926 -8.356 -9.332 1.00 0.00 C ATOM 1179 CD1 TYR A 74 3.079 -7.740 -8.861 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.053 -9.586 -9.965 1.00 0.00 C ATOM 1181 CE1 TYR A 74 4.318 -8.331 -9.014 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.288 -10.184 -10.122 1.00 0.00 C ATOM 1183 CZ TYR A 74 4.418 -9.553 -9.646 1.00 0.00 C ATOM 1184 OH TYR A 74 5.651 -10.145 -9.801 1.00 0.00 O ATOM 0 H TYR A 74 0.719 -4.847 -9.637 1.00 0.00 H new ATOM 0 HA TYR A 74 0.370 -7.259 -11.271 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.560 -7.140 -8.231 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.189 -8.483 -9.071 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.005 -6.783 -8.367 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.171 -10.083 -10.341 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.204 -7.839 -8.641 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.368 -11.141 -10.615 1.00 0.00 H new ATOM 0 HH TYR A 74 5.546 -11.002 -10.265 1.00 0.00 H new ATOM 1194 N MET A 75 -1.810 -5.763 -11.272 1.00 0.00 N ATOM 1195 CA MET A 75 -3.228 -5.411 -11.329 1.00 0.00 C ATOM 1196 C MET A 75 -4.132 -6.632 -11.143 1.00 0.00 C ATOM 1197 O MET A 75 -5.330 -6.488 -10.909 1.00 0.00 O ATOM 1198 CB MET A 75 -3.551 -4.741 -12.667 1.00 0.00 C ATOM 1199 CG MET A 75 -3.266 -5.625 -13.871 1.00 0.00 C ATOM 1200 SD MET A 75 -3.698 -4.834 -15.433 1.00 0.00 S ATOM 1201 CE MET A 75 -3.232 -6.111 -16.600 1.00 0.00 C ATOM 0 H MET A 75 -1.260 -5.427 -12.062 1.00 0.00 H new ATOM 0 HA MET A 75 -3.421 -4.720 -10.508 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.603 -4.455 -12.677 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.970 -3.823 -12.754 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.208 -5.887 -13.882 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.824 -6.556 -13.773 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.440 -5.770 -17.614 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.168 -6.325 -16.500 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.805 -7.016 -16.397 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.557 -7.827 -11.245 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.327 -9.059 -11.096 1.00 0.00 C ATOM 1213 C HIS A 76 -4.568 -9.411 -9.628 1.00 0.00 C ATOM 1214 O HIS A 76 -5.704 -9.653 -9.221 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.610 -10.216 -11.795 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.361 -11.511 -11.738 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -4.067 -12.531 -10.861 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -5.417 -11.944 -12.474 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -4.931 -13.530 -11.086 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.772 -13.223 -12.054 1.00 0.00 N ATOM 0 H HIS A 76 -2.564 -7.969 -11.430 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.299 -8.893 -11.561 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.441 -9.950 -12.838 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.630 -10.354 -11.338 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.904 -11.385 -13.260 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.938 -14.465 -10.545 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.527 -13.803 -12.420 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.499 -9.439 -8.834 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.613 -9.783 -7.417 1.00 0.00 C ATOM 1230 C ILE A 77 -4.309 -8.682 -6.622 1.00 0.00 C ATOM 1231 O ILE A 77 -5.054 -8.963 -5.683 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.233 -10.074 -6.787 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -2.406 -10.755 -5.426 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.425 -8.790 -6.641 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -1.112 -11.277 -4.840 1.00 0.00 C ATOM 0 H ILE A 77 -2.550 -9.229 -9.144 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.220 -10.687 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.687 -10.747 -7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.851 -10.046 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.108 -11.583 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.457 -9.018 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.276 -8.340 -7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.964 -8.092 -6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.312 -11.746 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.676 -12.011 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.415 -10.450 -4.703 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.062 -7.430 -6.996 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.668 -6.297 -6.309 1.00 0.00 C ATOM 1249 C ALA A 78 -6.190 -6.368 -6.372 1.00 0.00 C ATOM 1250 O ALA A 78 -6.879 -5.904 -5.464 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.173 -4.986 -6.900 1.00 0.00 C ATOM 0 H ALA A 78 -3.448 -7.176 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.370 -6.341 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.637 -4.152 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.090 -4.925 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.437 -4.940 -7.957 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.708 -6.951 -7.450 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.150 -7.084 -7.633 1.00 0.00 C ATOM 1259 C ASN A 79 -8.776 -7.878 -6.491 1.00 0.00 C ATOM 1260 O ASN A 79 -9.908 -7.617 -6.086 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.457 -7.770 -8.968 1.00 0.00 C ATOM 1262 CG ASN A 79 -8.114 -6.903 -10.166 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -7.767 -7.410 -11.232 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -8.215 -5.588 -9.997 1.00 0.00 N ATOM 0 H ASN A 79 -6.150 -7.339 -8.210 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.580 -6.083 -7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.898 -8.704 -9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.515 -8.029 -9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.001 -4.957 -10.769 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.507 -5.211 -9.095 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.038 -8.860 -5.989 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.518 -9.696 -4.896 1.00 0.00 C ATOM 1273 C ALA A 80 -8.526 -8.943 -3.566 1.00 0.00 C ATOM 1274 O ALA A 80 -9.456 -9.081 -2.770 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.666 -10.951 -4.786 1.00 0.00 C ATOM 0 H ALA A 80 -7.103 -9.097 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.547 -9.977 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.033 -11.569 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.724 -11.513 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.630 -10.672 -4.594 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.488 -8.143 -3.336 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.358 -7.385 -2.093 1.00 0.00 C ATOM 1283 C LEU A 81 -8.355 -6.229 -2.020 1.00 0.00 C ATOM 1284 O LEU A 81 -8.945 -5.980 -0.969 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.930 -6.847 -1.954 1.00 0.00 C ATOM 1286 CG LEU A 81 -5.348 -6.875 -0.534 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -6.195 -6.040 0.417 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -5.234 -8.307 -0.032 1.00 0.00 C ATOM 0 H LEU A 81 -6.723 -8.002 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.578 -8.065 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.277 -7.426 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.911 -5.819 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.349 -6.440 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.762 -6.076 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.221 -5.007 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.209 -6.439 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.820 -8.307 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.222 -8.767 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.579 -8.873 -0.694 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.538 -5.524 -3.133 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.455 -4.387 -3.175 1.00 0.00 C ATOM 1302 C GLU A 82 -10.861 -4.787 -2.737 1.00 0.00 C ATOM 1303 O GLU A 82 -11.629 -3.953 -2.260 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.492 -3.771 -4.576 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.003 -4.713 -5.651 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.085 -4.051 -7.012 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -9.026 -3.869 -7.648 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.209 -3.717 -7.443 1.00 0.00 O ATOM 0 H GLU A 82 -8.065 -5.718 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.083 -3.640 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.124 -2.883 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.488 -3.441 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.346 -5.581 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.990 -5.080 -5.369 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.198 -6.064 -2.903 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.514 -6.559 -2.513 1.00 0.00 C ATOM 1317 C GLU A 83 -12.746 -6.354 -1.019 1.00 0.00 C ATOM 1318 O GLU A 83 -13.869 -6.097 -0.584 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.654 -8.043 -2.858 1.00 0.00 C ATOM 1320 CG GLU A 83 -12.548 -8.337 -4.346 1.00 0.00 C ATOM 1321 CD GLU A 83 -12.748 -9.806 -4.665 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -11.759 -10.566 -4.606 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.894 -10.196 -4.975 1.00 0.00 O ATOM 0 H GLU A 83 -10.581 -6.771 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.264 -5.994 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.883 -8.604 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.616 -8.403 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.291 -7.748 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.569 -8.021 -4.706 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.674 -6.474 -0.242 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.749 -6.304 1.205 1.00 0.00 C ATOM 1332 C LYS A 84 -12.224 -4.899 1.568 1.00 0.00 C ATOM 1333 O LYS A 84 -12.855 -4.698 2.605 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.383 -6.577 1.839 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.416 -6.640 3.359 1.00 0.00 C ATOM 1336 CD LYS A 84 -9.048 -6.965 3.942 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.564 -8.340 3.508 1.00 0.00 C ATOM 1338 NZ LYS A 84 -9.582 -9.395 3.761 1.00 0.00 N ATOM 0 H LYS A 84 -10.740 -6.689 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.473 -7.020 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.995 -7.520 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.687 -5.797 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.762 -5.685 3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.135 -7.396 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.329 -6.209 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.097 -6.923 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.319 -8.320 2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.646 -8.586 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.105 -10.293 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.179 -9.115 4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.175 -9.516 2.915 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.911 -3.933 0.708 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.307 -2.545 0.933 1.00 0.00 C ATOM 1354 C LYS A 85 -13.811 -2.439 1.170 1.00 0.00 C ATOM 1355 O LYS A 85 -14.266 -1.609 1.958 1.00 0.00 O ATOM 1356 CB LYS A 85 -11.892 -1.678 -0.261 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.222 -0.200 -0.104 1.00 0.00 C ATOM 1358 CD LYS A 85 -13.608 0.125 -0.640 1.00 0.00 C ATOM 1359 CE LYS A 85 -13.867 1.624 -0.650 1.00 0.00 C ATOM 1360 NZ LYS A 85 -12.947 2.340 -1.576 1.00 0.00 N ATOM 0 H LYS A 85 -11.384 -4.086 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.798 -2.183 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.819 -1.784 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.384 -2.055 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.165 0.076 0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.478 0.397 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.709 -0.269 -1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.361 -0.371 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.899 1.812 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.748 2.020 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.334 3.281 -1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.014 2.443 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.849 1.796 -2.457 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.577 -3.281 0.483 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.030 -3.285 0.621 1.00 0.00 C ATOM 1376 C LYS A 86 -16.432 -3.526 2.072 1.00 0.00 C ATOM 1377 O LYS A 86 -17.271 -2.813 2.623 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.647 -4.360 -0.275 1.00 0.00 C ATOM 1379 CG LYS A 86 -18.167 -4.306 -0.340 1.00 0.00 C ATOM 1380 CD LYS A 86 -18.657 -3.038 -1.026 1.00 0.00 C ATOM 1381 CE LYS A 86 -18.260 -3.006 -2.494 1.00 0.00 C ATOM 1382 NZ LYS A 86 -18.597 -1.704 -3.132 1.00 0.00 N ATOM 0 H LYS A 86 -14.215 -3.970 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.404 -2.309 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.245 -4.255 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.343 -5.342 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.539 -5.178 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.576 -4.355 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.742 -2.973 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.245 -2.166 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.189 -3.188 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.766 -3.812 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.311 -1.723 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.622 -1.541 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.094 -0.937 -2.642 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.826 -4.540 2.683 1.00 0.00 N ATOM 1397 CA GLU A 87 -16.112 -4.879 4.071 1.00 0.00 C ATOM 1398 C GLU A 87 -15.516 -3.837 5.010 1.00 0.00 C ATOM 1399 O GLU A 87 -16.028 -3.607 6.104 1.00 0.00 O ATOM 1400 CB GLU A 87 -15.556 -6.266 4.405 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.877 -6.728 5.818 1.00 0.00 C ATOM 1402 CD GLU A 87 -15.273 -8.080 6.138 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -14.119 -8.119 6.614 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -15.955 -9.104 5.914 1.00 0.00 O ATOM 0 H GLU A 87 -15.133 -5.141 2.237 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.194 -4.891 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.958 -6.989 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.474 -6.256 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.507 -5.991 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.959 -6.778 5.943 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.426 -3.216 4.575 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.760 -2.193 5.372 1.00 0.00 C ATOM 1413 C ALA A 88 -14.683 -1.005 5.620 1.00 0.00 C ATOM 1414 O ALA A 88 -14.563 -0.316 6.634 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.484 -1.737 4.679 1.00 0.00 C ATOM 0 H ALA A 88 -13.985 -3.403 3.675 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.502 -2.627 6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.995 -0.973 5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.813 -2.587 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.729 -1.324 3.701 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.601 -0.772 4.687 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.546 0.337 4.792 1.00 0.00 C ATOM 1423 C GLU A 89 -17.262 0.333 6.142 1.00 0.00 C ATOM 1424 O GLU A 89 -17.234 1.326 6.868 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.574 0.266 3.659 1.00 0.00 C ATOM 1426 CG GLU A 89 -16.961 0.353 2.270 1.00 0.00 C ATOM 1427 CD GLU A 89 -16.236 1.663 2.032 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -15.027 1.736 2.338 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -16.875 2.616 1.538 1.00 0.00 O ATOM 0 H GLU A 89 -15.711 -1.338 3.846 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.980 1.265 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.130 -0.668 3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.292 1.077 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.264 -0.474 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.746 0.236 1.523 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.899 -0.787 6.472 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.627 -0.906 7.733 1.00 0.00 C ATOM 1438 C ARG A 90 -17.674 -0.880 8.925 1.00 0.00 C ATOM 1439 O ARG A 90 -18.074 -0.547 10.041 1.00 0.00 O ATOM 1440 CB ARG A 90 -19.458 -2.192 7.754 1.00 0.00 C ATOM 1441 CG ARG A 90 -18.630 -3.458 7.617 1.00 0.00 C ATOM 1442 CD ARG A 90 -19.505 -4.701 7.618 1.00 0.00 C ATOM 1443 NE ARG A 90 -20.284 -4.823 8.847 1.00 0.00 N ATOM 1444 CZ ARG A 90 -21.109 -5.835 9.099 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -21.263 -6.807 8.211 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -21.783 -5.874 10.241 1.00 0.00 N ATOM 0 H ARG A 90 -17.926 -1.622 5.887 1.00 0.00 H new ATOM 0 HA ARG A 90 -19.297 -0.050 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -20.020 -2.235 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -20.187 -2.156 6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -18.054 -3.419 6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.914 -3.516 8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -20.180 -4.669 6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.879 -5.585 7.497 1.00 0.00 H new ATOM 0 HE ARG A 90 -20.190 -4.091 9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.748 -6.780 7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -21.897 -7.582 8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -21.669 -5.127 10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -22.416 -6.651 10.434 1.00 0.00 H new ATOM 1460 N LYS A 91 -16.414 -1.231 8.684 1.00 0.00 N ATOM 1461 CA LYS A 91 -15.410 -1.242 9.743 1.00 0.00 C ATOM 1462 C LYS A 91 -15.057 0.179 10.166 1.00 0.00 C ATOM 1463 O LYS A 91 -14.658 0.417 11.306 1.00 0.00 O ATOM 1464 CB LYS A 91 -14.149 -1.976 9.284 1.00 0.00 C ATOM 1465 CG LYS A 91 -14.367 -3.453 9.001 1.00 0.00 C ATOM 1466 CD LYS A 91 -13.072 -4.142 8.600 1.00 0.00 C ATOM 1467 CE LYS A 91 -12.109 -4.252 9.773 1.00 0.00 C ATOM 1468 NZ LYS A 91 -12.678 -5.069 10.881 1.00 0.00 N ATOM 0 H LYS A 91 -16.065 -1.511 7.767 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.831 -1.769 10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.768 -1.495 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -13.380 -1.872 10.050 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.778 -3.937 9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.102 -3.567 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.293 -5.138 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.599 -3.586 7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.174 -4.699 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.870 -3.255 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.974 -5.767 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.928 -4.448 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.530 -5.563 10.546 1.00 0.00 H new ATOM 1482 N LEU A 92 -15.205 1.122 9.239 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.902 2.521 9.514 1.00 0.00 C ATOM 1484 C LEU A 92 -15.971 3.143 10.406 1.00 0.00 C ATOM 1485 O LEU A 92 -15.691 4.058 11.181 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.788 3.309 8.206 1.00 0.00 C ATOM 1487 CG LEU A 92 -13.576 2.961 7.339 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -13.668 3.665 5.993 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -12.285 3.337 8.050 1.00 0.00 C ATOM 0 H LEU A 92 -15.533 0.941 8.290 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.947 2.564 10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.693 3.144 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.752 4.372 8.443 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.572 1.885 7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.799 3.408 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.575 3.349 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -13.696 4.744 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.434 3.082 7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.279 4.408 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.215 2.790 8.991 1.00 0.00 H new ATOM 1501 N MET A 93 -17.199 2.645 10.289 1.00 0.00 N ATOM 1502 CA MET A 93 -18.308 3.151 11.088 1.00 0.00 C ATOM 1503 C MET A 93 -18.395 2.414 12.423 1.00 0.00 C ATOM 1504 O MET A 93 -19.290 2.673 13.229 1.00 0.00 O ATOM 1505 CB MET A 93 -19.629 3.010 10.326 1.00 0.00 C ATOM 1506 CG MET A 93 -19.798 4.011 9.192 1.00 0.00 C ATOM 1507 SD MET A 93 -18.608 3.770 7.858 1.00 0.00 S ATOM 1508 CE MET A 93 -19.164 4.999 6.679 1.00 0.00 C ATOM 0 H MET A 93 -17.450 1.892 9.648 1.00 0.00 H new ATOM 0 HA MET A 93 -18.126 4.208 11.285 1.00 0.00 H new ATOM 0 HB2 MET A 93 -19.696 2.001 9.920 1.00 0.00 H new ATOM 0 HB3 MET A 93 -20.455 3.127 11.027 1.00 0.00 H new ATOM 0 HG2 MET A 93 -20.808 3.930 8.790 1.00 0.00 H new ATOM 0 HG3 MET A 93 -19.693 5.021 9.587 1.00 0.00 H new ATOM 0 HE1 MET A 93 -18.525 4.972 5.797 1.00 0.00 H new ATOM 0 HE2 MET A 93 -20.193 4.785 6.388 1.00 0.00 H new ATOM 0 HE3 MET A 93 -19.113 5.988 7.134 1.00 0.00 H new ATOM 1518 N THR A 94 -17.459 1.495 12.652 1.00 0.00 N ATOM 1519 CA THR A 94 -17.430 0.724 13.890 1.00 0.00 C ATOM 1520 C THR A 94 -16.848 1.548 15.032 1.00 0.00 C ATOM 1521 O THR A 94 -15.902 2.312 14.840 1.00 0.00 O ATOM 1522 CB THR A 94 -16.604 -0.568 13.730 1.00 0.00 C ATOM 1523 OG1 THR A 94 -17.103 -1.336 12.629 1.00 0.00 O ATOM 1524 CG2 THR A 94 -16.653 -1.406 15.000 1.00 0.00 C ATOM 0 H THR A 94 -16.712 1.267 11.996 1.00 0.00 H new ATOM 0 HA THR A 94 -18.461 0.458 14.123 1.00 0.00 H new ATOM 0 HB THR A 94 -15.568 -0.287 13.539 1.00 0.00 H new ATOM 0 HG1 THR A 94 -17.230 -0.751 11.853 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.063 -2.312 14.861 1.00 0.00 H new ATOM 0 HG22 THR A 94 -16.245 -0.831 15.831 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.686 -1.676 15.218 1.00 0.00 H new ATOM 1532 N ASN A 95 -17.420 1.389 16.221 1.00 0.00 N ATOM 1533 CA ASN A 95 -16.959 2.120 17.396 1.00 0.00 C ATOM 1534 C ASN A 95 -16.316 1.176 18.407 1.00 0.00 C ATOM 1535 O ASN A 95 -15.080 1.010 18.355 1.00 0.00 O ATOM 1536 CB ASN A 95 -18.123 2.870 18.046 1.00 0.00 C ATOM 1537 CG ASN A 95 -18.705 3.935 17.136 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -18.675 3.807 15.912 1.00 0.00 O ATOM 1539 ND2 ASN A 95 -19.240 4.993 17.732 1.00 0.00 N ATOM 1540 OXT ASN A 95 -17.053 0.613 19.243 1.00 0.00 O ATOM 0 H ASN A 95 -18.204 0.760 16.396 1.00 0.00 H new ATOM 0 HA ASN A 95 -16.208 2.841 17.073 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -18.904 2.159 18.315 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -17.781 3.334 18.971 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -19.648 5.742 17.172 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -19.243 5.058 18.750 1.00 0.00 H new TER 1547 ASN A 95