USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=22 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 1 MET N :NH3+ -109:sc= 1.4 (180deg=0.443) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 150:sc= -0.0748 (180deg=-0.45) USER MOD Set 2.1: A 63 THR OG1 : rot 99:sc= 1.33 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 167:sc= -0.0534 (180deg=-0.34) USER MOD Set 3.1: A 67 ASN : amide:sc= 0 K(o=-1.4,f=-2.3) USER MOD Set 3.2: A 70 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) 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 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -37:sc= 0.482 USER MOD Single : A 16 HIS : no HD1:sc= -0.837 K(o=-0.84,f=-2.8) USER MOD Single : A 18 THR OG1 : rot -170:sc= -0.196 USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -1.1 (180deg=-1.39) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -2.5 (180deg=-2.68) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -70:sc= 1.26 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-3.1!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0208 (180deg=-0.268) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.00396 K(o=0.004,f=-1.2) 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= 0 K(o=0,f=-0.82) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= -0.0562 (180deg=-0.328) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 144:sc= -0.208 (180deg=-0.92) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.00239 X(o=0.0024,f=-0.00054) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.577 -2.328 12.976 1.00 0.00 N ATOM 2 CA MET A 1 -9.204 -0.889 12.965 1.00 0.00 C ATOM 3 C MET A 1 -8.517 -0.516 11.656 1.00 0.00 C ATOM 4 O MET A 1 -8.180 -1.383 10.851 1.00 0.00 O ATOM 5 CB MET A 1 -8.279 -0.571 14.143 1.00 0.00 C ATOM 6 CG MET A 1 -8.924 -0.783 15.503 1.00 0.00 C ATOM 7 SD MET A 1 -9.075 -2.527 15.939 1.00 0.00 S ATOM 8 CE MET A 1 -9.919 -2.410 17.513 1.00 0.00 C ATOM 0 H1 MET A 1 -10.610 -2.419 12.899 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.126 -2.810 12.172 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.256 -2.763 13.865 1.00 0.00 H new ATOM 0 HA MET A 1 -10.118 -0.303 13.058 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.388 -1.195 14.072 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.949 0.465 14.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.334 -0.273 16.264 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.913 -0.325 15.507 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.085 -3.411 17.912 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.309 -1.837 18.211 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.878 -1.911 17.375 1.00 0.00 H new ATOM 20 N GLU A 2 -8.310 0.781 11.453 1.00 0.00 N ATOM 21 CA GLU A 2 -7.663 1.274 10.243 1.00 0.00 C ATOM 22 C GLU A 2 -6.209 0.817 10.179 1.00 0.00 C ATOM 23 O GLU A 2 -5.651 0.641 9.096 1.00 0.00 O ATOM 24 CB GLU A 2 -7.740 2.802 10.182 1.00 0.00 C ATOM 25 CG GLU A 2 -7.039 3.500 11.338 1.00 0.00 C ATOM 26 CD GLU A 2 -7.415 4.964 11.447 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.802 5.790 10.737 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.322 5.287 12.243 1.00 0.00 O ATOM 0 H GLU A 2 -8.582 1.511 12.112 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.190 0.860 9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.300 3.141 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.787 3.103 10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.290 2.994 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.960 3.414 11.209 1.00 0.00 H new ATOM 35 N SER A 3 -5.603 0.628 11.347 1.00 0.00 N ATOM 36 CA SER A 3 -4.213 0.189 11.428 1.00 0.00 C ATOM 37 C SER A 3 -4.030 -1.173 10.766 1.00 0.00 C ATOM 38 O SER A 3 -3.045 -1.406 10.066 1.00 0.00 O ATOM 39 CB SER A 3 -3.761 0.125 12.888 1.00 0.00 C ATOM 40 OG SER A 3 -3.836 1.401 13.502 1.00 0.00 O ATOM 0 H SER A 3 -6.052 0.772 12.251 1.00 0.00 H new ATOM 0 HA SER A 3 -3.599 0.915 10.896 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.385 -0.582 13.434 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.738 -0.247 12.939 1.00 0.00 H new ATOM 0 HG SER A 3 -3.544 1.333 14.435 1.00 0.00 H new ATOM 46 N GLU A 4 -4.982 -2.072 10.995 1.00 0.00 N ATOM 47 CA GLU A 4 -4.924 -3.413 10.420 1.00 0.00 C ATOM 48 C GLU A 4 -5.279 -3.390 8.937 1.00 0.00 C ATOM 49 O GLU A 4 -4.793 -4.210 8.160 1.00 0.00 O ATOM 50 CB GLU A 4 -5.874 -4.355 11.165 1.00 0.00 C ATOM 51 CG GLU A 4 -5.592 -4.454 12.655 1.00 0.00 C ATOM 52 CD GLU A 4 -6.525 -5.417 13.363 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.598 -4.973 13.823 1.00 0.00 O ATOM 54 OE2 GLU A 4 -6.183 -6.614 13.456 1.00 0.00 O ATOM 0 H GLU A 4 -5.803 -1.897 11.574 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.902 -3.777 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.899 -4.013 11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.805 -5.350 10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.562 -4.776 12.805 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.686 -3.466 13.105 1.00 0.00 H new ATOM 61 N TYR A 5 -6.128 -2.444 8.550 1.00 0.00 N ATOM 62 CA TYR A 5 -6.556 -2.321 7.161 1.00 0.00 C ATOM 63 C TYR A 5 -5.409 -1.878 6.261 1.00 0.00 C ATOM 64 O TYR A 5 -5.303 -2.320 5.119 1.00 0.00 O ATOM 65 CB TYR A 5 -7.720 -1.334 7.049 1.00 0.00 C ATOM 66 CG TYR A 5 -8.161 -1.077 5.625 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.657 -2.105 4.832 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.076 0.195 5.072 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.057 -1.873 3.530 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.474 0.435 3.770 1.00 0.00 C ATOM 71 CZ TYR A 5 -8.964 -0.602 3.003 1.00 0.00 C ATOM 72 OH TYR A 5 -9.360 -0.367 1.707 1.00 0.00 O ATOM 0 H TYR A 5 -6.534 -1.751 9.179 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.886 -3.305 6.828 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.566 -1.717 7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.429 -0.389 7.507 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.731 -3.102 5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.693 1.009 5.669 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.441 -2.683 2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.402 1.430 3.355 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.231 0.580 1.492 1.00 0.00 H new ATOM 82 N ARG A 6 -4.555 -1.004 6.777 1.00 0.00 N ATOM 83 CA ARG A 6 -3.424 -0.496 6.006 1.00 0.00 C ATOM 84 C ARG A 6 -2.245 -1.468 6.025 1.00 0.00 C ATOM 85 O ARG A 6 -1.619 -1.720 4.997 1.00 0.00 O ATOM 86 CB ARG A 6 -2.984 0.865 6.553 1.00 0.00 C ATOM 87 CG ARG A 6 -2.501 0.814 7.993 1.00 0.00 C ATOM 88 CD ARG A 6 -2.114 2.191 8.506 1.00 0.00 C ATOM 89 NE ARG A 6 -3.271 3.076 8.618 1.00 0.00 N ATOM 90 CZ ARG A 6 -3.467 3.909 9.634 1.00 0.00 C ATOM 91 NH1 ARG A 6 -2.587 3.973 10.626 1.00 0.00 N ATOM 92 NH2 ARG A 6 -4.546 4.680 9.663 1.00 0.00 N ATOM 0 H ARG A 6 -4.622 -0.632 7.724 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.751 -0.386 4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.185 1.259 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.819 1.563 6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.285 0.397 8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.644 0.145 8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.636 2.094 9.481 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.380 2.636 7.834 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.968 3.053 7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.756 3.381 10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.741 4.614 11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.226 4.634 8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.695 5.319 10.444 1.00 0.00 H new ATOM 106 N GLU A 7 -1.955 -2.015 7.200 1.00 0.00 N ATOM 107 CA GLU A 7 -0.838 -2.940 7.371 1.00 0.00 C ATOM 108 C GLU A 7 -0.934 -4.148 6.438 1.00 0.00 C ATOM 109 O GLU A 7 0.007 -4.444 5.702 1.00 0.00 O ATOM 110 CB GLU A 7 -0.774 -3.408 8.827 1.00 0.00 C ATOM 111 CG GLU A 7 0.425 -4.288 9.138 1.00 0.00 C ATOM 112 CD GLU A 7 0.497 -4.676 10.602 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.084 -3.906 11.392 1.00 0.00 O ATOM 114 OE2 GLU A 7 -0.035 -5.747 10.960 1.00 0.00 O ATOM 0 H GLU A 7 -2.481 -1.833 8.055 1.00 0.00 H new ATOM 0 HA GLU A 7 0.074 -2.403 7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.750 -2.534 9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.686 -3.957 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.377 -5.190 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.339 -3.763 8.859 1.00 0.00 H new ATOM 121 N MET A 8 -2.073 -4.835 6.462 1.00 0.00 N ATOM 122 CA MET A 8 -2.271 -6.024 5.631 1.00 0.00 C ATOM 123 C MET A 8 -2.391 -5.676 4.151 1.00 0.00 C ATOM 124 O MET A 8 -1.763 -6.310 3.304 1.00 0.00 O ATOM 125 CB MET A 8 -3.524 -6.777 6.077 1.00 0.00 C ATOM 126 CG MET A 8 -3.600 -6.993 7.576 1.00 0.00 C ATOM 127 SD MET A 8 -2.203 -7.939 8.212 1.00 0.00 S ATOM 128 CE MET A 8 -2.616 -8.026 9.953 1.00 0.00 C ATOM 0 H MET A 8 -2.873 -4.591 7.046 1.00 0.00 H new ATOM 0 HA MET A 8 -1.391 -6.655 5.759 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.405 -6.223 5.753 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.554 -7.745 5.577 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.637 -6.026 8.077 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.527 -7.513 7.818 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.843 -8.583 10.483 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.682 -7.018 10.362 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.575 -8.530 10.075 1.00 0.00 H new ATOM 138 N LEU A 9 -3.200 -4.669 3.850 1.00 0.00 N ATOM 139 CA LEU A 9 -3.425 -4.247 2.473 1.00 0.00 C ATOM 140 C LEU A 9 -2.117 -3.903 1.764 1.00 0.00 C ATOM 141 O LEU A 9 -1.996 -4.077 0.550 1.00 0.00 O ATOM 142 CB LEU A 9 -4.374 -3.048 2.448 1.00 0.00 C ATOM 143 CG LEU A 9 -4.811 -2.586 1.056 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.221 -2.018 1.101 1.00 0.00 C ATOM 145 CD2 LEU A 9 -3.839 -1.549 0.510 1.00 0.00 C ATOM 0 H LEU A 9 -3.714 -4.127 4.544 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.877 -5.081 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.264 -3.298 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.890 -2.213 2.954 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.807 -3.449 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.515 -1.695 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.911 -2.785 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.249 -1.167 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.165 -1.231 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.813 -0.688 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.842 -1.985 0.442 1.00 0.00 H new ATOM 157 N LEU A 10 -1.147 -3.400 2.515 1.00 0.00 N ATOM 158 CA LEU A 10 0.143 -3.028 1.944 1.00 0.00 C ATOM 159 C LEU A 10 1.092 -4.222 1.841 1.00 0.00 C ATOM 160 O LEU A 10 1.539 -4.575 0.751 1.00 0.00 O ATOM 161 CB LEU A 10 0.789 -1.925 2.780 1.00 0.00 C ATOM 162 CG LEU A 10 0.028 -0.600 2.789 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.534 0.292 3.909 1.00 0.00 C ATOM 164 CD2 LEU A 10 0.163 0.098 1.445 1.00 0.00 C ATOM 0 H LEU A 10 -1.227 -3.240 3.519 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.042 -2.664 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.889 -2.278 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.797 -1.747 2.405 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.028 -0.806 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.018 1.232 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.388 -0.208 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.595 0.493 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.385 1.040 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.216 0.295 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.245 -0.540 0.661 1.00 0.00 H new ATOM 176 N LEU A 11 1.392 -4.838 2.981 1.00 0.00 N ATOM 177 CA LEU A 11 2.312 -5.972 3.024 1.00 0.00 C ATOM 178 C LEU A 11 1.853 -7.126 2.132 1.00 0.00 C ATOM 179 O LEU A 11 2.670 -7.944 1.707 1.00 0.00 O ATOM 180 CB LEU A 11 2.498 -6.452 4.470 1.00 0.00 C ATOM 181 CG LEU A 11 1.324 -7.233 5.073 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.423 -8.716 4.741 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.273 -7.034 6.580 1.00 0.00 C ATOM 0 H LEU A 11 1.011 -4.571 3.889 1.00 0.00 H new ATOM 0 HA LEU A 11 3.270 -5.627 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.387 -7.081 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.692 -5.583 5.099 1.00 0.00 H new ATOM 0 HG LEU A 11 0.403 -6.848 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.578 -9.245 5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.410 -8.848 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.352 -9.118 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.434 -7.595 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.202 -7.390 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.146 -5.975 6.803 1.00 0.00 H new ATOM 195 N THR A 12 0.554 -7.197 1.849 1.00 0.00 N ATOM 196 CA THR A 12 0.022 -8.270 1.010 1.00 0.00 C ATOM 197 C THR A 12 0.555 -8.174 -0.417 1.00 0.00 C ATOM 198 O THR A 12 0.294 -9.047 -1.245 1.00 0.00 O ATOM 199 CB THR A 12 -1.520 -8.262 0.970 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.996 -9.431 0.291 1.00 0.00 O ATOM 201 CG2 THR A 12 -2.040 -7.021 0.266 1.00 0.00 C ATOM 0 H THR A 12 -0.144 -6.532 2.184 1.00 0.00 H new ATOM 0 HA THR A 12 0.356 -9.204 1.461 1.00 0.00 H new ATOM 0 HB THR A 12 -1.886 -8.258 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.395 -9.644 -0.453 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.130 -7.040 0.252 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.700 -6.132 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.664 -6.999 -0.757 1.00 0.00 H new ATOM 209 N GLY A 13 1.301 -7.110 -0.698 1.00 0.00 N ATOM 210 CA GLY A 13 1.857 -6.925 -2.025 1.00 0.00 C ATOM 211 C GLY A 13 3.371 -6.811 -2.012 1.00 0.00 C ATOM 212 O GLY A 13 4.049 -7.422 -2.837 1.00 0.00 O ATOM 0 H GLY A 13 1.530 -6.373 -0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.565 -7.763 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.432 -6.026 -2.471 1.00 0.00 H new ATOM 216 N LEU A 14 3.901 -6.029 -1.074 1.00 0.00 N ATOM 217 CA LEU A 14 5.345 -5.841 -0.959 1.00 0.00 C ATOM 218 C LEU A 14 6.060 -7.174 -0.749 1.00 0.00 C ATOM 219 O LEU A 14 7.093 -7.439 -1.365 1.00 0.00 O ATOM 220 CB LEU A 14 5.676 -4.892 0.201 1.00 0.00 C ATOM 221 CG LEU A 14 5.455 -3.400 -0.073 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.222 -2.958 -1.311 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.974 -3.091 -0.223 1.00 0.00 C ATOM 0 H LEU A 14 3.353 -5.516 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 14 5.694 -5.401 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.072 -5.177 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.719 -5.040 0.480 1.00 0.00 H new ATOM 0 HG LEU A 14 5.835 -2.841 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.050 -1.896 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.287 -3.133 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.879 -3.528 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.842 -2.026 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.565 -3.665 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.451 -3.360 0.695 1.00 0.00 H new ATOM 235 N ASP A 15 5.503 -8.007 0.123 1.00 0.00 N ATOM 236 CA ASP A 15 6.089 -9.310 0.420 1.00 0.00 C ATOM 237 C ASP A 15 5.759 -10.325 -0.672 1.00 0.00 C ATOM 238 O ASP A 15 6.205 -11.472 -0.622 1.00 0.00 O ATOM 239 CB ASP A 15 5.580 -9.815 1.774 1.00 0.00 C ATOM 240 CG ASP A 15 6.229 -11.121 2.189 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.324 -11.077 2.785 1.00 0.00 O ATOM 242 OD2 ASP A 15 5.640 -12.188 1.917 1.00 0.00 O ATOM 0 H ASP A 15 4.646 -7.804 0.637 1.00 0.00 H new ATOM 0 HA ASP A 15 7.172 -9.194 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.773 -9.059 2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.499 -9.950 1.725 1.00 0.00 H new ATOM 247 N HIS A 16 4.983 -9.894 -1.660 1.00 0.00 N ATOM 248 CA HIS A 16 4.592 -10.770 -2.760 1.00 0.00 C ATOM 249 C HIS A 16 5.215 -10.314 -4.076 1.00 0.00 C ATOM 250 O HIS A 16 4.810 -10.758 -5.152 1.00 0.00 O ATOM 251 CB HIS A 16 3.067 -10.804 -2.886 1.00 0.00 C ATOM 252 CG HIS A 16 2.377 -11.327 -1.664 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.369 -10.678 -0.448 1.00 0.00 N ATOM 254 CD2 HIS A 16 1.656 -12.463 -1.485 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.661 -11.423 0.411 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.206 -12.517 -0.168 1.00 0.00 N ATOM 0 H HIS A 16 4.613 -8.946 -1.723 1.00 0.00 H new ATOM 0 HA HIS A 16 4.958 -11.773 -2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.705 -9.797 -3.095 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.795 -11.424 -3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.462 -13.207 -2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.485 -11.162 1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 16 0.641 -13.251 0.260 1.00 0.00 H new ATOM 264 N ILE A 17 6.206 -9.430 -3.985 1.00 0.00 N ATOM 265 CA ILE A 17 6.882 -8.917 -5.173 1.00 0.00 C ATOM 266 C ILE A 17 8.398 -8.966 -5.013 1.00 0.00 C ATOM 267 O ILE A 17 8.910 -9.348 -3.960 1.00 0.00 O ATOM 268 CB ILE A 17 6.459 -7.467 -5.478 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.750 -6.562 -4.277 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.985 -7.417 -5.850 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.439 -5.099 -4.522 1.00 0.00 C ATOM 0 H ILE A 17 6.557 -9.055 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 17 6.587 -9.559 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 17 7.039 -7.102 -6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.168 -6.909 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.801 -6.660 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.698 -6.387 -6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.812 -8.032 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.387 -7.796 -5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.671 -4.523 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.040 -4.734 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.382 -4.987 -4.762 1.00 0.00 H new ATOM 283 N THR A 18 9.110 -8.577 -6.066 1.00 0.00 N ATOM 284 CA THR A 18 10.567 -8.573 -6.049 1.00 0.00 C ATOM 285 C THR A 18 11.102 -7.191 -5.686 1.00 0.00 C ATOM 286 O THR A 18 10.339 -6.235 -5.557 1.00 0.00 O ATOM 287 CB THR A 18 11.150 -8.996 -7.409 1.00 0.00 C ATOM 288 OG1 THR A 18 10.783 -8.045 -8.415 1.00 0.00 O ATOM 289 CG2 THR A 18 10.647 -10.375 -7.807 1.00 0.00 C ATOM 0 H THR A 18 8.699 -8.260 -6.944 1.00 0.00 H new ATOM 0 HA THR A 18 10.878 -9.295 -5.294 1.00 0.00 H new ATOM 0 HB THR A 18 12.236 -9.032 -7.319 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.019 -8.396 -9.299 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.072 -10.653 -8.771 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.948 -11.103 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.560 -10.358 -7.881 1.00 0.00 H new ATOM 297 N GLU A 19 12.417 -7.095 -5.528 1.00 0.00 N ATOM 298 CA GLU A 19 13.057 -5.832 -5.172 1.00 0.00 C ATOM 299 C GLU A 19 12.959 -4.816 -6.309 1.00 0.00 C ATOM 300 O GLU A 19 12.635 -3.650 -6.082 1.00 0.00 O ATOM 301 CB GLU A 19 14.524 -6.068 -4.808 1.00 0.00 C ATOM 302 CG GLU A 19 14.711 -6.935 -3.573 1.00 0.00 C ATOM 303 CD GLU A 19 16.171 -7.195 -3.254 1.00 0.00 C ATOM 304 OE1 GLU A 19 16.779 -6.370 -2.539 1.00 0.00 O ATOM 305 OE2 GLU A 19 16.706 -8.223 -3.719 1.00 0.00 O ATOM 0 H GLU A 19 13.062 -7.877 -5.641 1.00 0.00 H new ATOM 0 HA GLU A 19 12.532 -5.424 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.028 -6.538 -5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.009 -5.106 -4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.238 -6.450 -2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.201 -7.887 -3.722 1.00 0.00 H new ATOM 312 N GLU A 20 13.242 -5.264 -7.530 1.00 0.00 N ATOM 313 CA GLU A 20 13.192 -4.387 -8.697 1.00 0.00 C ATOM 314 C GLU A 20 11.818 -3.737 -8.845 1.00 0.00 C ATOM 315 O GLU A 20 11.714 -2.548 -9.149 1.00 0.00 O ATOM 316 CB GLU A 20 13.543 -5.169 -9.965 1.00 0.00 C ATOM 317 CG GLU A 20 12.687 -6.406 -10.176 1.00 0.00 C ATOM 318 CD GLU A 20 13.030 -7.139 -11.458 1.00 0.00 C ATOM 319 OE1 GLU A 20 13.924 -8.011 -11.423 1.00 0.00 O ATOM 320 OE2 GLU A 20 12.404 -6.841 -12.498 1.00 0.00 O ATOM 0 H GLU A 20 13.508 -6.227 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 20 13.927 -3.595 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.435 -4.512 -10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.591 -5.466 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.816 -7.081 -9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.636 -6.117 -10.197 1.00 0.00 H new ATOM 327 N GLU A 21 10.768 -4.522 -8.630 1.00 0.00 N ATOM 328 CA GLU A 21 9.403 -4.018 -8.736 1.00 0.00 C ATOM 329 C GLU A 21 9.032 -3.201 -7.503 1.00 0.00 C ATOM 330 O GLU A 21 8.205 -2.291 -7.573 1.00 0.00 O ATOM 331 CB GLU A 21 8.422 -5.178 -8.911 1.00 0.00 C ATOM 332 CG GLU A 21 8.650 -5.981 -10.182 1.00 0.00 C ATOM 333 CD GLU A 21 8.480 -5.147 -11.437 1.00 0.00 C ATOM 334 OE1 GLU A 21 7.340 -5.059 -11.941 1.00 0.00 O ATOM 335 OE2 GLU A 21 9.486 -4.581 -11.913 1.00 0.00 O ATOM 0 H GLU A 21 10.835 -5.509 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 21 9.345 -3.370 -9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.502 -5.843 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.405 -4.785 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.654 -6.404 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.952 -6.818 -10.209 1.00 0.00 H new ATOM 342 N LEU A 22 9.651 -3.535 -6.376 1.00 0.00 N ATOM 343 CA LEU A 22 9.390 -2.840 -5.122 1.00 0.00 C ATOM 344 C LEU A 22 9.772 -1.366 -5.230 1.00 0.00 C ATOM 345 O LEU A 22 8.994 -0.486 -4.863 1.00 0.00 O ATOM 346 CB LEU A 22 10.166 -3.504 -3.981 1.00 0.00 C ATOM 347 CG LEU A 22 9.524 -3.388 -2.596 1.00 0.00 C ATOM 348 CD1 LEU A 22 10.240 -4.287 -1.600 1.00 0.00 C ATOM 349 CD2 LEU A 22 9.539 -1.945 -2.114 1.00 0.00 C ATOM 0 H LEU A 22 10.339 -4.285 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 22 8.323 -2.903 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.292 -4.561 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.163 -3.065 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 22 8.486 -3.713 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.770 -4.192 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.177 -5.323 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.287 -3.992 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.078 -1.886 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.568 -1.592 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.981 -1.322 -2.813 1.00 0.00 H new ATOM 361 N LYS A 23 10.974 -1.103 -5.737 1.00 0.00 N ATOM 362 CA LYS A 23 11.456 0.265 -5.891 1.00 0.00 C ATOM 363 C LYS A 23 10.648 1.011 -6.947 1.00 0.00 C ATOM 364 O LYS A 23 10.473 2.226 -6.864 1.00 0.00 O ATOM 365 CB LYS A 23 12.939 0.273 -6.268 1.00 0.00 C ATOM 366 CG LYS A 23 13.835 -0.388 -5.233 1.00 0.00 C ATOM 367 CD LYS A 23 15.305 -0.196 -5.570 1.00 0.00 C ATOM 368 CE LYS A 23 16.204 -0.897 -4.564 1.00 0.00 C ATOM 369 NZ LYS A 23 15.955 -0.424 -3.174 1.00 0.00 N ATOM 0 H LYS A 23 11.631 -1.819 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 23 11.331 0.774 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.065 -0.236 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.263 1.304 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.628 0.032 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.608 -1.453 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.504 -0.584 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.539 0.868 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.038 -1.973 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.248 -0.722 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.417 -1.067 -2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.342 0.534 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.931 -0.408 -2.991 1.00 0.00 H new ATOM 383 N ARG A 24 10.160 0.274 -7.941 1.00 0.00 N ATOM 384 CA ARG A 24 9.368 0.866 -9.015 1.00 0.00 C ATOM 385 C ARG A 24 8.082 1.482 -8.470 1.00 0.00 C ATOM 386 O ARG A 24 7.724 2.606 -8.822 1.00 0.00 O ATOM 387 CB ARG A 24 9.032 -0.189 -10.073 1.00 0.00 C ATOM 388 CG ARG A 24 8.081 0.309 -11.150 1.00 0.00 C ATOM 389 CD ARG A 24 7.779 -0.774 -12.174 1.00 0.00 C ATOM 390 NE ARG A 24 8.958 -1.133 -12.957 1.00 0.00 N ATOM 391 CZ ARG A 24 8.909 -1.862 -14.068 1.00 0.00 C ATOM 392 NH1 ARG A 24 7.747 -2.314 -14.519 1.00 0.00 N ATOM 393 NH2 ARG A 24 10.024 -2.140 -14.730 1.00 0.00 N ATOM 0 H ARG A 24 10.299 -0.733 -8.025 1.00 0.00 H new ATOM 0 HA ARG A 24 9.962 1.656 -9.475 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.956 -0.526 -10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.589 -1.056 -9.582 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.152 0.644 -10.689 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.518 1.173 -11.651 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.400 -1.659 -11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.991 -0.430 -12.843 1.00 0.00 H new ATOM 0 HE ARG A 24 9.869 -0.807 -12.634 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.887 -2.103 -14.013 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.713 -2.873 -15.372 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.920 -1.795 -14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.985 -2.699 -15.582 1.00 0.00 H new ATOM 407 N PHE A 25 7.392 0.738 -7.612 1.00 0.00 N ATOM 408 CA PHE A 25 6.144 1.209 -7.021 1.00 0.00 C ATOM 409 C PHE A 25 6.375 2.446 -6.156 1.00 0.00 C ATOM 410 O PHE A 25 5.759 3.489 -6.375 1.00 0.00 O ATOM 411 CB PHE A 25 5.503 0.099 -6.185 1.00 0.00 C ATOM 412 CG PHE A 25 4.245 0.526 -5.484 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.161 0.999 -6.206 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.149 0.458 -4.105 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.004 1.395 -5.565 1.00 0.00 C ATOM 416 CE2 PHE A 25 2.994 0.854 -3.457 1.00 0.00 C ATOM 417 CZ PHE A 25 1.920 1.323 -4.187 1.00 0.00 C ATOM 0 H PHE A 25 7.676 -0.194 -7.310 1.00 0.00 H new ATOM 0 HA PHE A 25 5.470 1.482 -7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.279 -0.749 -6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.223 -0.248 -5.443 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.222 1.059 -7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.986 0.091 -3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.166 1.761 -6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.932 0.797 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.017 1.633 -3.683 1.00 0.00 H new ATOM 427 N LYS A 26 7.261 2.319 -5.173 1.00 0.00 N ATOM 428 CA LYS A 26 7.575 3.422 -4.270 1.00 0.00 C ATOM 429 C LYS A 26 8.025 4.660 -5.041 1.00 0.00 C ATOM 430 O LYS A 26 7.747 5.789 -4.636 1.00 0.00 O ATOM 431 CB LYS A 26 8.667 3.001 -3.287 1.00 0.00 C ATOM 432 CG LYS A 26 8.202 1.966 -2.273 1.00 0.00 C ATOM 433 CD LYS A 26 9.352 1.453 -1.416 1.00 0.00 C ATOM 434 CE LYS A 26 9.887 2.527 -0.482 1.00 0.00 C ATOM 435 NZ LYS A 26 10.995 3.307 -1.101 1.00 0.00 N ATOM 0 H LYS A 26 7.776 1.460 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 26 6.668 3.673 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.512 2.598 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.027 3.882 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.438 2.405 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.737 1.130 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.015 0.598 -0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.156 1.100 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.078 3.203 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.241 2.063 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.452 3.896 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.694 2.654 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.613 3.917 -1.852 1.00 0.00 H new ATOM 449 N TYR A 27 8.720 4.438 -6.151 1.00 0.00 N ATOM 450 CA TYR A 27 9.215 5.534 -6.977 1.00 0.00 C ATOM 451 C TYR A 27 8.069 6.262 -7.670 1.00 0.00 C ATOM 452 O TYR A 27 8.110 7.479 -7.847 1.00 0.00 O ATOM 453 CB TYR A 27 10.189 5.001 -8.028 1.00 0.00 C ATOM 454 CG TYR A 27 10.904 6.085 -8.805 1.00 0.00 C ATOM 455 CD1 TYR A 27 10.366 6.600 -9.980 1.00 0.00 C ATOM 456 CD2 TYR A 27 12.120 6.591 -8.363 1.00 0.00 C ATOM 457 CE1 TYR A 27 11.021 7.589 -10.690 1.00 0.00 C ATOM 458 CE2 TYR A 27 12.780 7.579 -9.069 1.00 0.00 C ATOM 459 CZ TYR A 27 12.227 8.075 -10.231 1.00 0.00 C ATOM 460 OH TYR A 27 12.883 9.059 -10.936 1.00 0.00 O ATOM 0 H TYR A 27 8.954 3.509 -6.500 1.00 0.00 H new ATOM 0 HA TYR A 27 9.730 6.239 -6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.930 4.371 -7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.644 4.366 -8.726 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.422 6.221 -10.343 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.557 6.206 -7.453 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.590 7.979 -11.600 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.725 7.961 -8.712 1.00 0.00 H new ATOM 0 HH TYR A 27 13.717 9.290 -10.477 1.00 0.00 H new ATOM 470 N PHE A 28 7.049 5.507 -8.060 1.00 0.00 N ATOM 471 CA PHE A 28 5.897 6.073 -8.748 1.00 0.00 C ATOM 472 C PHE A 28 4.999 6.848 -7.788 1.00 0.00 C ATOM 473 O PHE A 28 4.685 8.013 -8.024 1.00 0.00 O ATOM 474 CB PHE A 28 5.097 4.964 -9.429 1.00 0.00 C ATOM 475 CG PHE A 28 4.243 5.454 -10.562 1.00 0.00 C ATOM 476 CD1 PHE A 28 4.757 5.530 -11.844 1.00 0.00 C ATOM 477 CD2 PHE A 28 2.930 5.837 -10.343 1.00 0.00 C ATOM 478 CE1 PHE A 28 3.977 5.981 -12.892 1.00 0.00 C ATOM 479 CE2 PHE A 28 2.145 6.288 -11.386 1.00 0.00 C ATOM 480 CZ PHE A 28 2.669 6.361 -12.662 1.00 0.00 C ATOM 0 H PHE A 28 6.997 4.499 -7.911 1.00 0.00 H new ATOM 0 HA PHE A 28 6.266 6.770 -9.501 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.786 4.207 -9.804 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.462 4.478 -8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.779 5.234 -12.028 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.516 5.782 -9.347 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.389 6.036 -13.889 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.122 6.583 -11.204 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.057 6.715 -13.479 1.00 0.00 H new ATOM 490 N ALA A 29 4.586 6.193 -6.708 1.00 0.00 N ATOM 491 CA ALA A 29 3.720 6.823 -5.718 1.00 0.00 C ATOM 492 C ALA A 29 4.378 8.057 -5.108 1.00 0.00 C ATOM 493 O ALA A 29 3.784 9.135 -5.076 1.00 0.00 O ATOM 494 CB ALA A 29 3.354 5.827 -4.627 1.00 0.00 C ATOM 0 H ALA A 29 4.837 5.227 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 29 2.811 7.145 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.707 6.311 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.831 4.979 -5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.261 5.477 -4.135 1.00 0.00 H new ATOM 500 N LEU A 30 5.607 7.896 -4.628 1.00 0.00 N ATOM 501 CA LEU A 30 6.336 9.002 -4.016 1.00 0.00 C ATOM 502 C LEU A 30 7.282 9.651 -5.023 1.00 0.00 C ATOM 503 O LEU A 30 8.432 9.233 -5.166 1.00 0.00 O ATOM 504 CB LEU A 30 7.132 8.513 -2.795 1.00 0.00 C ATOM 505 CG LEU A 30 6.315 7.833 -1.687 1.00 0.00 C ATOM 506 CD1 LEU A 30 5.103 8.672 -1.307 1.00 0.00 C ATOM 507 CD2 LEU A 30 5.887 6.434 -2.108 1.00 0.00 C ATOM 0 H LEU A 30 6.118 7.013 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 30 5.608 9.745 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.893 7.813 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.655 9.366 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 30 6.955 7.745 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.543 8.167 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.433 9.647 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.464 8.804 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.310 5.973 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.274 6.496 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.771 5.829 -2.313 1.00 0.00 H new ATOM 519 N THR A 31 6.788 10.666 -5.727 1.00 0.00 N ATOM 520 CA THR A 31 7.593 11.370 -6.720 1.00 0.00 C ATOM 521 C THR A 31 8.310 12.572 -6.115 1.00 0.00 C ATOM 522 O THR A 31 9.518 12.736 -6.284 1.00 0.00 O ATOM 523 CB THR A 31 6.730 11.850 -7.900 1.00 0.00 C ATOM 524 OG1 THR A 31 5.749 12.788 -7.440 1.00 0.00 O ATOM 525 CG2 THR A 31 6.035 10.677 -8.573 1.00 0.00 C ATOM 0 H THR A 31 5.836 11.019 -5.628 1.00 0.00 H new ATOM 0 HA THR A 31 8.335 10.656 -7.078 1.00 0.00 H new ATOM 0 HB THR A 31 7.384 12.333 -8.626 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.205 13.090 -8.197 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.431 11.040 -9.404 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.782 9.977 -8.947 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.393 10.172 -7.851 1.00 0.00 H new ATOM 533 N GLU A 32 7.557 13.412 -5.411 1.00 0.00 N ATOM 534 CA GLU A 32 8.116 14.605 -4.786 1.00 0.00 C ATOM 535 C GLU A 32 8.469 14.350 -3.326 1.00 0.00 C ATOM 536 O GLU A 32 9.220 15.113 -2.717 1.00 0.00 O ATOM 537 CB GLU A 32 7.128 15.768 -4.886 1.00 0.00 C ATOM 538 CG GLU A 32 6.728 16.106 -6.312 1.00 0.00 C ATOM 539 CD GLU A 32 5.745 17.256 -6.383 1.00 0.00 C ATOM 540 OE1 GLU A 32 4.526 17.003 -6.287 1.00 0.00 O ATOM 541 OE2 GLU A 32 6.195 18.412 -6.533 1.00 0.00 O ATOM 0 H GLU A 32 6.556 13.288 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 32 9.031 14.863 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.233 15.523 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.570 16.650 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.620 16.359 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.287 15.226 -6.780 1.00 0.00 H new ATOM 548 N PHE A 33 7.927 13.274 -2.767 1.00 0.00 N ATOM 549 CA PHE A 33 8.185 12.931 -1.374 1.00 0.00 C ATOM 550 C PHE A 33 9.559 12.287 -1.217 1.00 0.00 C ATOM 551 O PHE A 33 10.148 12.314 -0.135 1.00 0.00 O ATOM 552 CB PHE A 33 7.098 11.992 -0.847 1.00 0.00 C ATOM 553 CG PHE A 33 5.712 12.570 -0.944 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.326 13.618 -0.123 1.00 0.00 C ATOM 555 CD2 PHE A 33 4.799 12.067 -1.857 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.054 14.153 -0.210 1.00 0.00 C ATOM 557 CE2 PHE A 33 3.527 12.599 -1.950 1.00 0.00 C ATOM 558 CZ PHE A 33 3.154 13.641 -1.125 1.00 0.00 C ATOM 0 H PHE A 33 7.308 12.626 -3.255 1.00 0.00 H new ATOM 0 HA PHE A 33 8.170 13.851 -0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.134 11.057 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.311 11.750 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.027 14.021 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.085 11.250 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.765 14.969 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.825 12.200 -2.667 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.159 14.056 -1.195 1.00 0.00 H new ATOM 568 N GLN A 34 10.066 11.719 -2.310 1.00 0.00 N ATOM 569 CA GLN A 34 11.377 11.075 -2.309 1.00 0.00 C ATOM 570 C GLN A 34 11.533 10.135 -1.117 1.00 0.00 C ATOM 571 O GLN A 34 12.316 10.398 -0.203 1.00 0.00 O ATOM 572 CB GLN A 34 12.483 12.131 -2.298 1.00 0.00 C ATOM 573 CG GLN A 34 13.875 11.560 -2.520 1.00 0.00 C ATOM 574 CD GLN A 34 14.940 12.635 -2.603 1.00 0.00 C ATOM 575 OE1 GLN A 34 15.538 13.012 -1.596 1.00 0.00 O ATOM 576 NE2 GLN A 34 15.181 13.136 -3.809 1.00 0.00 N ATOM 0 H GLN A 34 9.586 11.692 -3.210 1.00 0.00 H new ATOM 0 HA GLN A 34 11.460 10.480 -3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.275 12.870 -3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.463 12.655 -1.343 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.117 10.876 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.881 10.976 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.661 12.793 -4.617 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.886 13.863 -3.927 1.00 0.00 H new ATOM 585 N ILE A 35 10.774 9.043 -1.125 1.00 0.00 N ATOM 586 CA ILE A 35 10.831 8.065 -0.045 1.00 0.00 C ATOM 587 C ILE A 35 12.157 7.305 -0.073 1.00 0.00 C ATOM 588 O ILE A 35 12.665 6.962 -1.140 1.00 0.00 O ATOM 589 CB ILE A 35 9.654 7.070 -0.133 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.620 6.166 1.104 1.00 0.00 C ATOM 591 CG2 ILE A 35 9.750 6.239 -1.404 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.335 5.374 1.239 1.00 0.00 C ATOM 0 H ILE A 35 10.113 8.814 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 35 10.755 8.609 0.897 1.00 0.00 H new ATOM 0 HB ILE A 35 8.725 7.639 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.461 5.474 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.755 6.778 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.912 5.544 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.721 6.897 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.686 5.680 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.381 4.756 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.491 6.060 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.208 4.735 0.365 1.00 0.00 H new ATOM 604 N ALA A 36 12.715 7.050 1.108 1.00 0.00 N ATOM 605 CA ALA A 36 13.987 6.343 1.219 1.00 0.00 C ATOM 606 C ALA A 36 13.844 4.867 0.858 1.00 0.00 C ATOM 607 O ALA A 36 13.028 4.151 1.437 1.00 0.00 O ATOM 608 CB ALA A 36 14.548 6.494 2.626 1.00 0.00 C ATOM 0 H ALA A 36 12.306 7.323 2.002 1.00 0.00 H new ATOM 0 HA ALA A 36 14.681 6.789 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.497 5.963 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.706 7.550 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.843 6.077 3.345 1.00 0.00 H new ATOM 614 N ARG A 37 14.645 4.419 -0.107 1.00 0.00 N ATOM 615 CA ARG A 37 14.615 3.026 -0.547 1.00 0.00 C ATOM 616 C ARG A 37 15.108 2.091 0.556 1.00 0.00 C ATOM 617 O ARG A 37 14.811 0.896 0.550 1.00 0.00 O ATOM 618 CB ARG A 37 15.465 2.844 -1.811 1.00 0.00 C ATOM 619 CG ARG A 37 16.966 2.801 -1.555 1.00 0.00 C ATOM 620 CD ARG A 37 17.500 4.150 -1.098 1.00 0.00 C ATOM 621 NE ARG A 37 17.223 5.205 -2.068 1.00 0.00 N ATOM 622 CZ ARG A 37 17.690 6.445 -1.964 1.00 0.00 C ATOM 623 NH1 ARG A 37 18.451 6.787 -0.933 1.00 0.00 N ATOM 624 NH2 ARG A 37 17.396 7.345 -2.892 1.00 0.00 N ATOM 0 H ARG A 37 15.323 5.001 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 37 13.581 2.769 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.166 1.920 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.249 3.660 -2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.184 2.048 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 37 17.481 2.496 -2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.051 4.412 -0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.576 4.079 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 37 16.638 4.978 -2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.680 6.098 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 37 18.808 7.739 -0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.811 7.086 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.755 8.296 -2.812 1.00 0.00 H new ATOM 638 N SER A 38 15.867 2.641 1.498 1.00 0.00 N ATOM 639 CA SER A 38 16.403 1.856 2.606 1.00 0.00 C ATOM 640 C SER A 38 15.279 1.307 3.479 1.00 0.00 C ATOM 641 O SER A 38 15.425 0.261 4.112 1.00 0.00 O ATOM 642 CB SER A 38 17.353 2.707 3.450 1.00 0.00 C ATOM 643 OG SER A 38 18.444 3.174 2.675 1.00 0.00 O ATOM 0 H SER A 38 16.125 3.628 1.517 1.00 0.00 H new ATOM 0 HA SER A 38 16.956 1.015 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.811 3.555 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.724 2.119 4.289 1.00 0.00 H new ATOM 0 HG SER A 38 19.036 3.717 3.237 1.00 0.00 H new ATOM 649 N THR A 39 14.161 2.025 3.509 1.00 0.00 N ATOM 650 CA THR A 39 13.008 1.622 4.308 1.00 0.00 C ATOM 651 C THR A 39 12.530 0.216 3.948 1.00 0.00 C ATOM 652 O THR A 39 11.812 -0.413 4.723 1.00 0.00 O ATOM 653 CB THR A 39 11.832 2.601 4.132 1.00 0.00 C ATOM 654 OG1 THR A 39 11.341 2.541 2.787 1.00 0.00 O ATOM 655 CG2 THR A 39 12.254 4.028 4.456 1.00 0.00 C ATOM 0 H THR A 39 14.028 2.892 2.988 1.00 0.00 H new ATOM 0 HA THR A 39 13.339 1.632 5.346 1.00 0.00 H new ATOM 0 HB THR A 39 11.042 2.307 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.998 2.942 2.181 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.404 4.698 4.323 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.599 4.080 5.489 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.061 4.329 3.788 1.00 0.00 H new ATOM 663 N LEU A 40 12.934 -0.269 2.774 1.00 0.00 N ATOM 664 CA LEU A 40 12.536 -1.599 2.300 1.00 0.00 C ATOM 665 C LEU A 40 12.717 -2.678 3.369 1.00 0.00 C ATOM 666 O LEU A 40 12.110 -3.746 3.286 1.00 0.00 O ATOM 667 CB LEU A 40 13.336 -1.977 1.051 1.00 0.00 C ATOM 668 CG LEU A 40 12.588 -1.817 -0.275 1.00 0.00 C ATOM 669 CD1 LEU A 40 12.253 -0.356 -0.531 1.00 0.00 C ATOM 670 CD2 LEU A 40 13.410 -2.387 -1.420 1.00 0.00 C ATOM 0 H LEU A 40 13.539 0.240 2.130 1.00 0.00 H new ATOM 0 HA LEU A 40 11.474 -1.546 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.237 -1.365 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.658 -3.014 1.145 1.00 0.00 H new ATOM 0 HG LEU A 40 11.653 -2.373 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.722 -0.265 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.623 0.020 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.173 0.226 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.864 -2.265 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.361 -1.858 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.595 -3.447 -1.243 1.00 0.00 H new ATOM 682 N ASP A 41 13.552 -2.399 4.365 1.00 0.00 N ATOM 683 CA ASP A 41 13.806 -3.354 5.442 1.00 0.00 C ATOM 684 C ASP A 41 12.499 -3.814 6.092 1.00 0.00 C ATOM 685 O ASP A 41 12.293 -5.007 6.319 1.00 0.00 O ATOM 686 CB ASP A 41 14.723 -2.729 6.495 1.00 0.00 C ATOM 687 CG ASP A 41 15.061 -3.693 7.616 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.896 -4.594 7.393 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.488 -3.547 8.717 1.00 0.00 O ATOM 0 H ASP A 41 14.064 -1.521 4.450 1.00 0.00 H new ATOM 0 HA ASP A 41 14.297 -4.227 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.644 -2.394 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.241 -1.845 6.913 1.00 0.00 H new ATOM 694 N VAL A 42 11.625 -2.857 6.388 1.00 0.00 N ATOM 695 CA VAL A 42 10.334 -3.147 7.008 1.00 0.00 C ATOM 696 C VAL A 42 9.248 -2.255 6.420 1.00 0.00 C ATOM 697 O VAL A 42 8.156 -2.134 6.975 1.00 0.00 O ATOM 698 CB VAL A 42 10.378 -2.937 8.532 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.274 -3.975 9.191 1.00 0.00 C ATOM 700 CG2 VAL A 42 10.847 -1.530 8.865 1.00 0.00 C ATOM 0 H VAL A 42 11.788 -1.866 6.207 1.00 0.00 H new ATOM 0 HA VAL A 42 10.108 -4.193 6.803 1.00 0.00 H new ATOM 0 HB VAL A 42 9.369 -3.061 8.925 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.292 -3.809 10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.888 -4.973 8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.285 -3.887 8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.871 -1.401 9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 42 11.846 -1.374 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.160 -0.805 8.429 1.00 0.00 H new ATOM 710 N ALA A 43 9.571 -1.636 5.292 1.00 0.00 N ATOM 711 CA ALA A 43 8.661 -0.730 4.605 1.00 0.00 C ATOM 712 C ALA A 43 7.237 -1.257 4.536 1.00 0.00 C ATOM 713 O ALA A 43 6.290 -0.532 4.817 1.00 0.00 O ATOM 714 CB ALA A 43 9.173 -0.447 3.201 1.00 0.00 C ATOM 0 H ALA A 43 10.472 -1.748 4.828 1.00 0.00 H new ATOM 0 HA ALA A 43 8.632 0.190 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.487 0.231 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.160 0.012 3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.239 -1.381 2.643 1.00 0.00 H new ATOM 720 N ASP A 44 7.081 -2.527 4.226 1.00 0.00 N ATOM 721 CA ASP A 44 5.746 -3.078 4.070 1.00 0.00 C ATOM 722 C ASP A 44 4.889 -2.893 5.319 1.00 0.00 C ATOM 723 O ASP A 44 3.795 -2.335 5.237 1.00 0.00 O ATOM 724 CB ASP A 44 5.832 -4.565 3.717 1.00 0.00 C ATOM 725 CG ASP A 44 6.613 -5.361 4.745 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.854 -5.424 4.627 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.983 -5.921 5.666 1.00 0.00 O ATOM 0 H ASP A 44 7.844 -3.188 4.079 1.00 0.00 H new ATOM 0 HA ASP A 44 5.264 -2.530 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.825 -4.974 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.304 -4.677 2.741 1.00 0.00 H new ATOM 732 N ARG A 45 5.367 -3.349 6.472 1.00 0.00 N ATOM 733 CA ARG A 45 4.582 -3.217 7.695 1.00 0.00 C ATOM 734 C ARG A 45 4.668 -1.843 8.387 1.00 0.00 C ATOM 735 O ARG A 45 3.666 -1.138 8.503 1.00 0.00 O ATOM 736 CB ARG A 45 4.961 -4.328 8.685 1.00 0.00 C ATOM 737 CG ARG A 45 6.455 -4.469 8.930 1.00 0.00 C ATOM 738 CD ARG A 45 6.772 -5.727 9.724 1.00 0.00 C ATOM 739 NE ARG A 45 8.207 -5.896 9.935 1.00 0.00 N ATOM 740 CZ ARG A 45 8.735 -6.837 10.713 1.00 0.00 C ATOM 741 NH1 ARG A 45 7.948 -7.690 11.356 1.00 0.00 N ATOM 742 NH2 ARG A 45 10.052 -6.927 10.849 1.00 0.00 N ATOM 0 H ARG A 45 6.273 -3.803 6.586 1.00 0.00 H new ATOM 0 HA ARG A 45 3.543 -3.313 7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.466 -4.134 9.637 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.575 -5.277 8.312 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.980 -4.498 7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.821 -3.595 9.469 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.267 -5.683 10.689 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.379 -6.596 9.197 1.00 0.00 H new ATOM 0 HE ARG A 45 8.841 -5.255 9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.935 -7.625 11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.356 -8.410 11.952 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.661 -6.274 10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.455 -7.649 11.446 1.00 0.00 H new ATOM 756 N THR A 46 5.868 -1.475 8.846 1.00 0.00 N ATOM 757 CA THR A 46 6.063 -0.235 9.612 1.00 0.00 C ATOM 758 C THR A 46 6.283 1.071 8.832 1.00 0.00 C ATOM 759 O THR A 46 5.515 2.022 8.976 1.00 0.00 O ATOM 760 CB THR A 46 7.241 -0.403 10.591 1.00 0.00 C ATOM 761 OG1 THR A 46 7.064 -1.592 11.371 1.00 0.00 O ATOM 762 CG2 THR A 46 7.356 0.800 11.515 1.00 0.00 C ATOM 0 H THR A 46 6.720 -2.016 8.702 1.00 0.00 H new ATOM 0 HA THR A 46 5.098 -0.107 10.102 1.00 0.00 H new ATOM 0 HB THR A 46 8.158 -0.482 10.008 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.817 -1.693 11.989 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.195 0.657 12.196 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.520 1.700 10.922 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.436 0.907 12.090 1.00 0.00 H new ATOM 770 N GLU A 47 7.332 1.112 8.012 1.00 0.00 N ATOM 771 CA GLU A 47 7.729 2.347 7.317 1.00 0.00 C ATOM 772 C GLU A 47 6.808 2.820 6.187 1.00 0.00 C ATOM 773 O GLU A 47 6.279 3.929 6.255 1.00 0.00 O ATOM 774 CB GLU A 47 9.163 2.198 6.809 1.00 0.00 C ATOM 775 CG GLU A 47 10.200 2.285 7.918 1.00 0.00 C ATOM 776 CD GLU A 47 11.613 2.045 7.424 1.00 0.00 C ATOM 777 OE1 GLU A 47 11.949 0.879 7.133 1.00 0.00 O ATOM 778 OE2 GLU A 47 12.383 3.024 7.334 1.00 0.00 O ATOM 0 H GLU A 47 7.925 0.308 7.809 1.00 0.00 H new ATOM 0 HA GLU A 47 7.644 3.134 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.264 1.240 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.363 2.974 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.145 3.269 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.961 1.554 8.690 1.00 0.00 H new ATOM 785 N LEU A 48 6.614 2.009 5.156 1.00 0.00 N ATOM 786 CA LEU A 48 5.777 2.421 4.025 1.00 0.00 C ATOM 787 C LEU A 48 4.350 2.732 4.465 1.00 0.00 C ATOM 788 O LEU A 48 3.705 3.623 3.913 1.00 0.00 O ATOM 789 CB LEU A 48 5.775 1.351 2.928 1.00 0.00 C ATOM 790 CG LEU A 48 5.758 1.879 1.490 1.00 0.00 C ATOM 791 CD1 LEU A 48 6.006 0.747 0.505 1.00 0.00 C ATOM 792 CD2 LEU A 48 4.437 2.569 1.182 1.00 0.00 C ATOM 0 H LEU A 48 7.015 1.075 5.074 1.00 0.00 H new ATOM 0 HA LEU A 48 6.209 3.336 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.657 0.724 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.905 0.710 3.071 1.00 0.00 H new ATOM 0 HG LEU A 48 6.558 2.612 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.991 1.140 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.978 0.297 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.227 -0.008 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.449 2.936 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.619 1.860 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.296 3.407 1.865 1.00 0.00 H new ATOM 804 N ALA A 49 3.862 2.008 5.466 1.00 0.00 N ATOM 805 CA ALA A 49 2.504 2.211 5.960 1.00 0.00 C ATOM 806 C ALA A 49 2.326 3.594 6.583 1.00 0.00 C ATOM 807 O ALA A 49 1.437 4.348 6.191 1.00 0.00 O ATOM 808 CB ALA A 49 2.143 1.129 6.965 1.00 0.00 C ATOM 0 H ALA A 49 4.384 1.278 5.950 1.00 0.00 H new ATOM 0 HA ALA A 49 1.830 2.147 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.127 1.292 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.206 0.152 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.837 1.166 7.805 1.00 0.00 H new ATOM 814 N ASP A 50 3.174 3.920 7.551 1.00 0.00 N ATOM 815 CA ASP A 50 3.102 5.210 8.232 1.00 0.00 C ATOM 816 C ASP A 50 3.464 6.364 7.296 1.00 0.00 C ATOM 817 O ASP A 50 2.914 7.460 7.410 1.00 0.00 O ATOM 818 CB ASP A 50 4.031 5.215 9.448 1.00 0.00 C ATOM 819 CG ASP A 50 4.047 6.554 10.160 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.207 6.758 11.061 1.00 0.00 O ATOM 821 OD2 ASP A 50 4.901 7.398 9.817 1.00 0.00 O ATOM 0 H ASP A 50 3.920 3.309 7.883 1.00 0.00 H new ATOM 0 HA ASP A 50 2.072 5.355 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.715 4.440 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.043 4.964 9.129 1.00 0.00 H new ATOM 826 N HIS A 51 4.388 6.110 6.376 1.00 0.00 N ATOM 827 CA HIS A 51 4.846 7.131 5.436 1.00 0.00 C ATOM 828 C HIS A 51 3.716 7.661 4.553 1.00 0.00 C ATOM 829 O HIS A 51 3.438 8.860 4.546 1.00 0.00 O ATOM 830 CB HIS A 51 5.961 6.567 4.552 1.00 0.00 C ATOM 831 CG HIS A 51 6.581 7.586 3.648 1.00 0.00 C ATOM 832 ND1 HIS A 51 6.282 7.710 2.308 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.505 8.542 3.915 1.00 0.00 C ATOM 834 CE1 HIS A 51 7.018 8.715 1.814 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.778 9.253 2.749 1.00 0.00 N ATOM 0 H HIS A 51 4.837 5.202 6.260 1.00 0.00 H new ATOM 0 HA HIS A 51 5.221 7.965 6.029 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.736 6.138 5.188 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.558 5.754 3.948 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.957 8.723 4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.992 9.042 0.785 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.431 10.029 2.640 1.00 0.00 H new ATOM 843 N LEU A 52 3.069 6.766 3.811 1.00 0.00 N ATOM 844 CA LEU A 52 1.989 7.156 2.907 1.00 0.00 C ATOM 845 C LEU A 52 0.894 7.939 3.629 1.00 0.00 C ATOM 846 O LEU A 52 0.265 8.819 3.041 1.00 0.00 O ATOM 847 CB LEU A 52 1.393 5.928 2.211 1.00 0.00 C ATOM 848 CG LEU A 52 0.986 4.774 3.132 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.423 4.975 3.666 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.090 3.451 2.392 1.00 0.00 C ATOM 0 H LEU A 52 3.273 5.767 3.817 1.00 0.00 H new ATOM 0 HA LEU A 52 2.423 7.813 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.516 6.244 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.120 5.554 1.490 1.00 0.00 H new ATOM 0 HG LEU A 52 1.669 4.757 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.688 4.142 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.469 5.906 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.125 5.021 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.798 2.638 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.429 3.466 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.118 3.299 2.062 1.00 0.00 H new ATOM 862 N ILE A 53 0.664 7.617 4.899 1.00 0.00 N ATOM 863 CA ILE A 53 -0.362 8.299 5.683 1.00 0.00 C ATOM 864 C ILE A 53 -0.125 9.809 5.704 1.00 0.00 C ATOM 865 O ILE A 53 -1.071 10.596 5.668 1.00 0.00 O ATOM 866 CB ILE A 53 -0.414 7.773 7.133 1.00 0.00 C ATOM 867 CG1 ILE A 53 -0.821 6.297 7.153 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.382 8.601 7.968 1.00 0.00 C ATOM 869 CD1 ILE A 53 -0.676 5.645 8.511 1.00 0.00 C ATOM 0 H ILE A 53 1.171 6.892 5.406 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.317 8.090 5.200 1.00 0.00 H new ATOM 0 HB ILE A 53 0.582 7.864 7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.857 6.210 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.213 5.752 6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.405 8.215 8.987 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.054 9.640 7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.380 8.541 7.534 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.983 4.601 8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.364 5.699 8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.305 6.165 9.233 1.00 0.00 H new ATOM 881 N GLN A 54 1.141 10.206 5.763 1.00 0.00 N ATOM 882 CA GLN A 54 1.498 11.620 5.795 1.00 0.00 C ATOM 883 C GLN A 54 1.339 12.265 4.419 1.00 0.00 C ATOM 884 O GLN A 54 1.098 13.468 4.313 1.00 0.00 O ATOM 885 CB GLN A 54 2.937 11.794 6.289 1.00 0.00 C ATOM 886 CG GLN A 54 3.366 13.246 6.418 1.00 0.00 C ATOM 887 CD GLN A 54 4.795 13.390 6.905 1.00 0.00 C ATOM 888 OE1 GLN A 54 5.642 12.536 6.641 1.00 0.00 O ATOM 889 NE2 GLN A 54 5.069 14.473 7.623 1.00 0.00 N ATOM 0 H GLN A 54 1.937 9.569 5.790 1.00 0.00 H new ATOM 0 HA GLN A 54 0.818 12.119 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.041 11.306 7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.612 11.284 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.264 13.739 5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.697 13.759 7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.336 15.155 7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.013 14.623 7.980 1.00 0.00 H new ATOM 898 N SER A 55 1.474 11.461 3.367 1.00 0.00 N ATOM 899 CA SER A 55 1.362 11.966 2.001 1.00 0.00 C ATOM 900 C SER A 55 -0.048 12.465 1.692 1.00 0.00 C ATOM 901 O SER A 55 -0.235 13.630 1.340 1.00 0.00 O ATOM 902 CB SER A 55 1.755 10.875 1.004 1.00 0.00 C ATOM 903 OG SER A 55 3.096 10.462 1.200 1.00 0.00 O ATOM 0 H SER A 55 1.660 10.460 3.434 1.00 0.00 H new ATOM 0 HA SER A 55 2.043 12.812 1.908 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.088 10.020 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.631 11.246 -0.013 1.00 0.00 H new ATOM 0 HG SER A 55 3.321 9.763 0.551 1.00 0.00 H new ATOM 909 N ALA A 56 -1.037 11.584 1.819 1.00 0.00 N ATOM 910 CA ALA A 56 -2.423 11.954 1.541 1.00 0.00 C ATOM 911 C ALA A 56 -3.334 11.671 2.730 1.00 0.00 C ATOM 912 O ALA A 56 -4.283 12.413 2.988 1.00 0.00 O ATOM 913 CB ALA A 56 -2.922 11.221 0.305 1.00 0.00 C ATOM 0 H ALA A 56 -0.907 10.615 2.111 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.450 13.028 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.956 11.504 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.302 11.488 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.866 10.145 0.472 1.00 0.00 H new ATOM 919 N GLY A 57 -3.041 10.594 3.450 1.00 0.00 N ATOM 920 CA GLY A 57 -3.848 10.226 4.599 1.00 0.00 C ATOM 921 C GLY A 57 -3.918 8.726 4.791 1.00 0.00 C ATOM 922 O GLY A 57 -3.263 7.973 4.072 1.00 0.00 O ATOM 0 H GLY A 57 -2.258 9.968 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.432 10.686 5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.856 10.622 4.475 1.00 0.00 H new ATOM 926 N ALA A 58 -4.711 8.288 5.762 1.00 0.00 N ATOM 927 CA ALA A 58 -4.852 6.864 6.040 1.00 0.00 C ATOM 928 C ALA A 58 -5.639 6.159 4.940 1.00 0.00 C ATOM 929 O ALA A 58 -5.082 5.378 4.171 1.00 0.00 O ATOM 930 CB ALA A 58 -5.526 6.659 7.387 1.00 0.00 C ATOM 0 H ALA A 58 -5.264 8.895 6.367 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.855 6.425 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.626 5.592 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.922 7.118 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.514 7.120 7.374 1.00 0.00 H new ATOM 936 N ALA A 59 -6.935 6.443 4.867 1.00 0.00 N ATOM 937 CA ALA A 59 -7.798 5.829 3.863 1.00 0.00 C ATOM 938 C ALA A 59 -7.449 6.303 2.455 1.00 0.00 C ATOM 939 O ALA A 59 -7.476 5.524 1.503 1.00 0.00 O ATOM 940 CB ALA A 59 -9.258 6.124 4.172 1.00 0.00 C ATOM 0 H ALA A 59 -7.411 7.094 5.491 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.635 4.752 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.891 5.660 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.511 5.722 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.420 7.202 4.169 1.00 0.00 H new ATOM 946 N SER A 60 -7.120 7.585 2.332 1.00 0.00 N ATOM 947 CA SER A 60 -6.779 8.174 1.038 1.00 0.00 C ATOM 948 C SER A 60 -5.604 7.457 0.376 1.00 0.00 C ATOM 949 O SER A 60 -5.709 7.000 -0.763 1.00 0.00 O ATOM 950 CB SER A 60 -6.448 9.657 1.208 1.00 0.00 C ATOM 951 OG SER A 60 -7.550 10.371 1.742 1.00 0.00 O ATOM 0 H SER A 60 -7.082 8.239 3.114 1.00 0.00 H new ATOM 0 HA SER A 60 -7.647 8.061 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.587 9.767 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.168 10.083 0.244 1.00 0.00 H new ATOM 0 HG SER A 60 -7.310 11.316 1.842 1.00 0.00 H new ATOM 957 N ALA A 61 -4.491 7.360 1.093 1.00 0.00 N ATOM 958 CA ALA A 61 -3.291 6.718 0.562 1.00 0.00 C ATOM 959 C ALA A 61 -3.478 5.215 0.367 1.00 0.00 C ATOM 960 O ALA A 61 -3.123 4.673 -0.679 1.00 0.00 O ATOM 961 CB ALA A 61 -2.106 6.988 1.473 1.00 0.00 C ATOM 0 H ALA A 61 -4.393 7.717 2.043 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.099 7.149 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.217 6.505 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.936 8.063 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.313 6.591 2.467 1.00 0.00 H new ATOM 967 N VAL A 62 -4.027 4.543 1.373 1.00 0.00 N ATOM 968 CA VAL A 62 -4.245 3.099 1.299 1.00 0.00 C ATOM 969 C VAL A 62 -5.143 2.725 0.119 1.00 0.00 C ATOM 970 O VAL A 62 -4.999 1.650 -0.464 1.00 0.00 O ATOM 971 CB VAL A 62 -4.856 2.555 2.610 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.271 1.098 2.458 1.00 0.00 C ATOM 973 CG2 VAL A 62 -3.869 2.707 3.758 1.00 0.00 C ATOM 0 H VAL A 62 -4.329 4.972 2.248 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.267 2.641 1.150 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.749 3.139 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.698 0.741 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.014 1.012 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.399 0.496 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.314 2.319 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.960 2.150 3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.625 3.761 3.891 1.00 0.00 H new ATOM 983 N THR A 63 -6.061 3.618 -0.237 1.00 0.00 N ATOM 984 CA THR A 63 -6.979 3.368 -1.344 1.00 0.00 C ATOM 985 C THR A 63 -6.289 3.550 -2.694 1.00 0.00 C ATOM 986 O THR A 63 -6.311 2.653 -3.537 1.00 0.00 O ATOM 987 CB THR A 63 -8.210 4.293 -1.274 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.948 4.037 -0.074 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.117 4.089 -2.480 1.00 0.00 C ATOM 0 H THR A 63 -6.189 4.519 0.223 1.00 0.00 H new ATOM 0 HA THR A 63 -7.307 2.333 -1.251 1.00 0.00 H new ATOM 0 HB THR A 63 -7.857 5.324 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.710 4.703 0.605 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.977 4.754 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.564 4.312 -3.393 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.459 3.054 -2.507 1.00 0.00 H new ATOM 997 N LYS A 64 -5.679 4.714 -2.892 1.00 0.00 N ATOM 998 CA LYS A 64 -4.990 5.014 -4.144 1.00 0.00 C ATOM 999 C LYS A 64 -3.817 4.064 -4.370 1.00 0.00 C ATOM 1000 O LYS A 64 -3.473 3.750 -5.509 1.00 0.00 O ATOM 1001 CB LYS A 64 -4.486 6.457 -4.142 1.00 0.00 C ATOM 1002 CG LYS A 64 -3.443 6.734 -3.072 1.00 0.00 C ATOM 1003 CD LYS A 64 -2.532 7.880 -3.473 1.00 0.00 C ATOM 1004 CE LYS A 64 -1.499 8.174 -2.398 1.00 0.00 C ATOM 1005 NZ LYS A 64 -0.661 6.981 -2.091 1.00 0.00 N ATOM 0 H LYS A 64 -5.647 5.465 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.705 4.881 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.062 6.687 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.332 7.129 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.939 6.973 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.848 5.837 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.027 7.634 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.129 8.773 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.858 8.993 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.004 8.506 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.153 7.269 -1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.229 6.283 -1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.322 6.557 -2.978 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.206 3.618 -3.277 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.070 2.707 -3.350 1.00 0.00 C ATOM 1021 C ALA A 65 -2.413 1.471 -4.171 1.00 0.00 C ATOM 1022 O ALA A 65 -1.552 0.889 -4.829 1.00 0.00 O ATOM 1023 CB ALA A 65 -1.622 2.307 -1.952 1.00 0.00 C ATOM 0 H ALA A 65 -3.480 3.874 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.250 3.226 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.773 1.627 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.328 3.197 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.443 1.810 -1.435 1.00 0.00 H new ATOM 1029 N ILE A 66 -3.681 1.081 -4.126 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.148 -0.086 -4.864 1.00 0.00 C ATOM 1031 C ILE A 66 -4.208 0.202 -6.361 1.00 0.00 C ATOM 1032 O ILE A 66 -3.803 -0.624 -7.175 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.541 -0.542 -4.376 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.465 -1.061 -2.937 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.115 -1.608 -5.302 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -4.591 -2.289 -2.772 1.00 0.00 C ATOM 0 H ILE A 66 -4.404 1.556 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.432 -0.887 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.208 0.320 -4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.084 -0.267 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.472 -1.295 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.096 -1.915 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.211 -1.202 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.449 -2.471 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.588 -2.596 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.983 -3.100 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.573 -2.056 -3.085 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.712 1.382 -6.712 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.835 1.782 -8.112 1.00 0.00 C ATOM 1050 C ASN A 67 -3.470 1.871 -8.788 1.00 0.00 C ATOM 1051 O ASN A 67 -3.322 1.521 -9.959 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.549 3.131 -8.213 1.00 0.00 C ATOM 1053 CG ASN A 67 -5.684 3.610 -9.645 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -5.800 2.808 -10.573 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -5.669 4.924 -9.833 1.00 0.00 N ATOM 0 H ASN A 67 -5.043 2.080 -6.045 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.421 1.020 -8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.540 3.049 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.999 3.874 -7.635 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.756 5.305 -10.775 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.571 5.552 -9.035 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.477 2.346 -8.045 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.126 2.488 -8.575 1.00 0.00 C ATOM 1064 C ILE A 68 -0.414 1.140 -8.673 1.00 0.00 C ATOM 1065 O ILE A 68 0.127 0.788 -9.720 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.282 3.433 -7.697 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.006 4.767 -7.496 1.00 0.00 C ATOM 1068 CG2 ILE A 68 1.086 3.657 -8.327 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.356 5.656 -6.458 1.00 0.00 C ATOM 0 H ILE A 68 -2.582 2.639 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.226 2.910 -9.575 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.142 2.969 -6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.042 5.299 -8.447 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.037 4.571 -7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.672 4.326 -7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.604 2.702 -8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.963 4.103 -9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.921 6.584 -6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.344 5.143 -5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.666 5.882 -6.761 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.422 0.394 -7.574 1.00 0.00 N ATOM 1082 CA PHE A 69 0.239 -0.908 -7.508 1.00 0.00 C ATOM 1083 C PHE A 69 -0.326 -1.900 -8.522 1.00 0.00 C ATOM 1084 O PHE A 69 0.413 -2.707 -9.087 1.00 0.00 O ATOM 1085 CB PHE A 69 0.101 -1.489 -6.098 1.00 0.00 C ATOM 1086 CG PHE A 69 0.882 -2.755 -5.884 1.00 0.00 C ATOM 1087 CD1 PHE A 69 2.259 -2.718 -5.730 1.00 0.00 C ATOM 1088 CD2 PHE A 69 0.238 -3.981 -5.828 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.978 -3.880 -5.525 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.951 -5.145 -5.625 1.00 0.00 C ATOM 1091 CZ PHE A 69 2.323 -5.095 -5.473 1.00 0.00 C ATOM 0 H PHE A 69 -0.883 0.671 -6.707 1.00 0.00 H new ATOM 0 HA PHE A 69 1.289 -0.749 -7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.430 -0.743 -5.374 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.952 -1.685 -5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.776 -1.770 -5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.835 -4.026 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.051 -3.838 -5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.437 -6.094 -5.585 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.883 -6.005 -5.314 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.633 -1.842 -8.752 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.282 -2.764 -9.679 1.00 0.00 C ATOM 1103 C GLN A 70 -1.858 -2.522 -11.131 1.00 0.00 C ATOM 1104 O GLN A 70 -1.289 -3.402 -11.774 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.812 -2.677 -9.536 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.411 -1.338 -9.938 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.890 -1.244 -9.617 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.369 -1.852 -8.660 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.620 -0.479 -10.419 1.00 0.00 N ATOM 0 H GLN A 70 -2.262 -1.170 -8.312 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.957 -3.771 -9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.266 -3.460 -10.144 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.079 -2.883 -8.499 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.879 -0.537 -9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.264 -1.184 -11.007 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.180 0.006 -11.201 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.621 -0.377 -10.254 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.106 -1.322 -11.631 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.787 -0.981 -13.012 1.00 0.00 C ATOM 1120 C LYS A 71 -0.283 -0.989 -13.281 1.00 0.00 C ATOM 1121 O LYS A 71 0.143 -0.865 -14.430 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.372 0.392 -13.353 1.00 0.00 C ATOM 1123 CG LYS A 71 -2.309 0.737 -14.835 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.935 2.093 -15.124 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.437 2.081 -14.886 1.00 0.00 C ATOM 1126 NZ LYS A 71 -5.056 3.402 -15.183 1.00 0.00 N ATOM 0 H LYS A 71 -2.530 -0.562 -11.099 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.232 -1.745 -13.649 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.411 0.425 -13.026 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.836 1.155 -12.789 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.270 0.738 -15.165 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.825 -0.032 -15.410 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.472 2.850 -14.491 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.732 2.375 -16.157 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.898 1.316 -15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.638 1.810 -13.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.080 3.353 -15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.635 4.129 -14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.886 3.649 -16.179 1.00 0.00 H new ATOM 1140 N LEU A 72 0.526 -1.136 -12.234 1.00 0.00 N ATOM 1141 CA LEU A 72 1.976 -1.105 -12.411 1.00 0.00 C ATOM 1142 C LEU A 72 2.650 -2.473 -12.354 1.00 0.00 C ATOM 1143 O LEU A 72 3.556 -2.746 -13.142 1.00 0.00 O ATOM 1144 CB LEU A 72 2.581 -0.254 -11.303 1.00 0.00 C ATOM 1145 CG LEU A 72 3.058 1.136 -11.715 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.163 1.041 -12.757 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.896 1.971 -12.235 1.00 0.00 C ATOM 0 H LEU A 72 0.211 -1.275 -11.274 1.00 0.00 H new ATOM 0 HA LEU A 72 2.149 -0.701 -13.409 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.840 -0.143 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.425 -0.795 -10.876 1.00 0.00 H new ATOM 0 HG LEU A 72 3.466 1.631 -10.834 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.487 2.044 -13.036 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.007 0.488 -12.343 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.787 0.523 -13.639 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.258 2.958 -12.523 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.454 1.479 -13.101 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.144 2.074 -11.453 1.00 0.00 H new ATOM 1159 N ASN A 73 2.222 -3.331 -11.440 1.00 0.00 N ATOM 1160 CA ASN A 73 2.858 -4.640 -11.309 1.00 0.00 C ATOM 1161 C ASN A 73 1.901 -5.823 -11.425 1.00 0.00 C ATOM 1162 O ASN A 73 2.143 -6.748 -12.200 1.00 0.00 O ATOM 1163 CB ASN A 73 3.596 -4.719 -9.972 1.00 0.00 C ATOM 1164 CG ASN A 73 4.668 -3.654 -9.839 1.00 0.00 C ATOM 1165 OD1 ASN A 73 5.261 -3.227 -10.829 1.00 0.00 O ATOM 1166 ND2 ASN A 73 4.922 -3.222 -8.610 1.00 0.00 N ATOM 0 H ASN A 73 1.456 -3.154 -10.791 1.00 0.00 H new ATOM 0 HA ASN A 73 3.546 -4.722 -12.150 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.879 -4.613 -9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.052 -5.704 -9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.634 -2.507 -8.458 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.405 -3.605 -7.818 1.00 0.00 H new ATOM 1173 N TYR A 74 0.816 -5.792 -10.660 1.00 0.00 N ATOM 1174 CA TYR A 74 -0.122 -6.917 -10.638 1.00 0.00 C ATOM 1175 C TYR A 74 -1.587 -6.491 -10.649 1.00 0.00 C ATOM 1176 O TYR A 74 -2.319 -6.748 -9.692 1.00 0.00 O ATOM 1177 CB TYR A 74 0.157 -7.803 -9.425 1.00 0.00 C ATOM 1178 CG TYR A 74 1.482 -8.530 -9.508 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.586 -9.748 -10.169 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.625 -7.997 -8.930 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.794 -10.414 -10.249 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.837 -8.658 -9.006 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.916 -9.866 -9.667 1.00 0.00 C ATOM 1184 OH TYR A 74 5.121 -10.525 -9.744 1.00 0.00 O ATOM 0 H TYR A 74 0.563 -5.013 -10.053 1.00 0.00 H new ATOM 0 HA TYR A 74 0.042 -7.475 -11.560 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.143 -7.189 -8.524 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.645 -8.534 -9.325 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.709 -10.181 -10.627 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.567 -7.051 -8.413 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.858 -11.360 -10.766 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.718 -8.230 -8.550 1.00 0.00 H new ATOM 0 HH TYR A 74 5.810 -10.002 -9.283 1.00 0.00 H new ATOM 1194 N MET A 75 -2.012 -5.831 -11.720 1.00 0.00 N ATOM 1195 CA MET A 75 -3.397 -5.385 -11.839 1.00 0.00 C ATOM 1196 C MET A 75 -4.371 -6.531 -11.572 1.00 0.00 C ATOM 1197 O MET A 75 -5.534 -6.305 -11.239 1.00 0.00 O ATOM 1198 CB MET A 75 -3.648 -4.809 -13.234 1.00 0.00 C ATOM 1199 CG MET A 75 -3.463 -5.822 -14.353 1.00 0.00 C ATOM 1200 SD MET A 75 -3.750 -5.116 -15.987 1.00 0.00 S ATOM 1201 CE MET A 75 -3.564 -6.566 -17.022 1.00 0.00 C ATOM 0 H MET A 75 -1.421 -5.593 -12.516 1.00 0.00 H new ATOM 0 HA MET A 75 -3.565 -4.610 -11.091 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.663 -4.413 -13.277 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.972 -3.970 -13.399 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.451 -6.225 -14.309 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.146 -6.657 -14.198 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.713 -6.290 -18.066 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.563 -6.977 -16.895 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.303 -7.315 -16.736 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.886 -7.762 -11.718 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.712 -8.945 -11.491 1.00 0.00 C ATOM 1213 C HIS A 76 -4.817 -9.278 -10.000 1.00 0.00 C ATOM 1214 O HIS A 76 -5.916 -9.461 -9.474 1.00 0.00 O ATOM 1215 CB HIS A 76 -4.141 -10.141 -12.255 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.962 -11.386 -12.121 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -4.597 -12.467 -11.348 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -6.155 -11.713 -12.681 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -5.556 -13.395 -11.462 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -6.524 -12.987 -12.259 1.00 0.00 N ATOM 0 H HIS A 76 -2.925 -7.966 -11.993 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.715 -8.727 -11.858 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.059 -9.882 -13.311 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.131 -10.342 -11.897 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.727 -11.085 -13.348 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.539 -14.354 -10.965 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -7.369 -13.499 -12.514 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.671 -9.355 -9.327 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.633 -9.680 -7.900 1.00 0.00 C ATOM 1230 C ILE A 77 -4.348 -8.628 -7.055 1.00 0.00 C ATOM 1231 O ILE A 77 -5.186 -8.959 -6.216 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.180 -9.825 -7.391 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.500 -11.026 -8.054 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.156 -9.963 -5.872 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.068 -11.241 -7.609 1.00 0.00 C ATOM 0 H ILE A 77 -2.755 -9.197 -9.746 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.152 -10.632 -7.793 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.627 -8.925 -7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.077 -11.925 -7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.518 -10.890 -9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.125 -10.064 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.602 -9.078 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.723 -10.846 -5.578 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.346 -12.109 -8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.525 -10.359 -7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.043 -11.409 -6.532 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.009 -7.364 -7.280 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.600 -6.263 -6.526 1.00 0.00 C ATOM 1249 C ALA A 78 -6.126 -6.291 -6.574 1.00 0.00 C ATOM 1250 O ALA A 78 -6.789 -5.864 -5.630 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.078 -4.933 -7.044 1.00 0.00 C ATOM 0 H ALA A 78 -3.326 -7.075 -7.980 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.306 -6.383 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.526 -4.119 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.994 -4.900 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.339 -4.825 -8.097 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.677 -6.794 -7.674 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.127 -6.871 -7.837 1.00 0.00 C ATOM 1259 C ASN A 79 -8.769 -7.670 -6.703 1.00 0.00 C ATOM 1260 O ASN A 79 -9.883 -7.372 -6.274 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.473 -7.506 -9.185 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.964 -7.491 -9.469 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.685 -6.601 -9.017 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.431 -8.479 -10.222 1.00 0.00 N ATOM 0 H ASN A 79 -6.144 -7.154 -8.465 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.524 -5.856 -7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.950 -6.973 -9.979 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.114 -8.535 -9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.425 -8.522 -10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.796 -9.195 -10.575 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.068 -8.697 -6.238 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.565 -9.543 -5.157 1.00 0.00 C ATOM 1273 C ALA A 80 -8.507 -8.840 -3.800 1.00 0.00 C ATOM 1274 O ALA A 80 -9.453 -8.910 -3.014 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.778 -10.844 -5.108 1.00 0.00 C ATOM 0 H ALA A 80 -7.150 -8.966 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.613 -9.758 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.156 -11.468 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.889 -11.372 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.724 -10.625 -4.935 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.393 -8.164 -3.531 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.195 -7.474 -2.254 1.00 0.00 C ATOM 1283 C LEU A 81 -8.087 -6.240 -2.110 1.00 0.00 C ATOM 1284 O LEU A 81 -8.592 -5.961 -1.023 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.725 -7.066 -2.087 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.722 -8.217 -1.928 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -5.149 -9.162 -0.816 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.549 -8.971 -3.237 1.00 0.00 C ATOM 0 H LEU A 81 -6.611 -8.078 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.475 -8.179 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.433 -6.472 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.645 -6.418 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.759 -7.786 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.421 -9.968 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.205 -8.615 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.127 -9.581 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.833 -9.781 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.509 -9.383 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.181 -8.289 -4.004 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.277 -5.502 -3.200 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.097 -4.292 -3.166 1.00 0.00 C ATOM 1302 C GLU A 82 -10.512 -4.587 -2.676 1.00 0.00 C ATOM 1303 O GLU A 82 -11.187 -3.708 -2.141 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.147 -3.632 -4.547 1.00 0.00 C ATOM 1305 CG GLU A 82 -9.803 -4.492 -5.612 1.00 0.00 C ATOM 1306 CD GLU A 82 -9.945 -3.769 -6.937 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -8.938 -3.667 -7.668 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.063 -3.306 -7.244 1.00 0.00 O ATOM 0 H GLU A 82 -7.878 -5.718 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.631 -3.603 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.689 -2.689 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.132 -3.391 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.213 -5.397 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.788 -4.805 -5.265 1.00 0.00 H new ATOM 1315 N GLU A 83 -10.960 -5.825 -2.864 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.295 -6.228 -2.433 1.00 0.00 C ATOM 1317 C GLU A 83 -12.471 -6.008 -0.932 1.00 0.00 C ATOM 1318 O GLU A 83 -13.566 -5.696 -0.463 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.541 -7.698 -2.776 1.00 0.00 C ATOM 1320 CG GLU A 83 -13.942 -8.181 -2.436 1.00 0.00 C ATOM 1321 CD GLU A 83 -14.142 -9.652 -2.740 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -14.516 -9.975 -3.887 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.924 -10.482 -1.832 1.00 0.00 O ATOM 0 H GLU A 83 -10.419 -6.565 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.023 -5.612 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.364 -7.848 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.816 -8.312 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.137 -8.003 -1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.670 -7.596 -2.997 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.382 -6.175 -0.187 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.400 -5.999 1.263 1.00 0.00 C ATOM 1332 C LYS A 84 -11.910 -4.611 1.645 1.00 0.00 C ATOM 1333 O LYS A 84 -12.506 -4.430 2.708 1.00 0.00 O ATOM 1334 CB LYS A 84 -9.998 -6.209 1.836 1.00 0.00 C ATOM 1335 CG LYS A 84 -9.948 -6.197 3.356 1.00 0.00 C ATOM 1336 CD LYS A 84 -8.530 -6.402 3.870 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.033 -7.813 3.592 1.00 0.00 C ATOM 1338 NZ LYS A 84 -8.840 -8.837 4.310 1.00 0.00 N ATOM 0 H LYS A 84 -10.471 -6.433 -0.566 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.079 -6.741 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.608 -7.161 1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.339 -5.429 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.337 -5.248 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.595 -6.981 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.863 -5.681 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.499 -6.209 4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.071 -8.007 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.989 -7.896 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.317 -9.736 4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.024 -8.515 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.744 -8.977 3.815 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.671 -3.636 0.770 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.097 -2.260 1.013 1.00 0.00 C ATOM 1354 C LYS A 85 -13.580 -2.196 1.366 1.00 0.00 C ATOM 1355 O LYS A 85 -14.000 -1.363 2.169 1.00 0.00 O ATOM 1356 CB LYS A 85 -11.815 -1.391 -0.215 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.283 0.049 -0.066 1.00 0.00 C ATOM 1358 CD LYS A 85 -11.857 0.899 -1.251 1.00 0.00 C ATOM 1359 CE LYS A 85 -12.381 2.322 -1.135 1.00 0.00 C ATOM 1360 NZ LYS A 85 -11.999 2.951 0.159 1.00 0.00 N ATOM 0 H LYS A 85 -11.184 -3.774 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.527 -1.878 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.743 -1.397 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.303 -1.834 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.369 0.072 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.875 0.472 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.769 0.915 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.225 0.449 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.991 2.920 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.467 2.318 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.178 3.975 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.563 2.535 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.989 2.784 0.342 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.368 -3.078 0.758 1.00 0.00 N ATOM 1375 CA LYS A 86 -15.805 -3.121 1.009 1.00 0.00 C ATOM 1376 C LYS A 86 -16.095 -3.194 2.505 1.00 0.00 C ATOM 1377 O LYS A 86 -17.011 -2.539 3.003 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.430 -4.322 0.295 1.00 0.00 C ATOM 1379 CG LYS A 86 -17.947 -4.251 0.186 1.00 0.00 C ATOM 1380 CD LYS A 86 -18.392 -3.671 -1.152 1.00 0.00 C ATOM 1381 CE LYS A 86 -18.050 -2.193 -1.272 1.00 0.00 C ATOM 1382 NZ LYS A 86 -18.441 -1.638 -2.598 1.00 0.00 N ATOM 0 H LYS A 86 -14.036 -3.772 0.088 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.246 -2.204 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.006 -4.398 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.156 -5.233 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.367 -5.249 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.341 -3.639 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.914 -4.221 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.468 -3.805 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.557 -1.638 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.979 -2.055 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.191 -0.629 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.938 -2.150 -3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.467 -1.746 -2.731 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.305 -3.992 3.218 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.474 -4.151 4.658 1.00 0.00 C ATOM 1398 C GLU A 87 -14.908 -2.950 5.411 1.00 0.00 C ATOM 1399 O GLU A 87 -15.375 -2.613 6.499 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.791 -5.435 5.137 1.00 0.00 C ATOM 1401 CG GLU A 87 -14.967 -5.699 6.623 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.293 -6.980 7.072 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -14.914 -8.056 6.936 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -13.147 -6.908 7.561 1.00 0.00 O ATOM 0 H GLU A 87 -14.541 -4.539 2.821 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.542 -4.217 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.191 -6.280 4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.726 -5.377 4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.559 -4.861 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.031 -5.752 6.855 1.00 0.00 H new ATOM 1411 N ALA A 88 -13.898 -2.311 4.827 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.263 -1.151 5.445 1.00 0.00 C ATOM 1413 C ALA A 88 -14.287 -0.082 5.817 1.00 0.00 C ATOM 1414 O ALA A 88 -14.086 0.678 6.764 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.208 -0.572 4.516 1.00 0.00 C ATOM 0 H ALA A 88 -13.501 -2.577 3.926 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.784 -1.484 6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.742 0.293 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.449 -1.327 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.676 -0.266 3.580 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.383 -0.025 5.065 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.435 0.954 5.319 1.00 0.00 C ATOM 1423 C GLU A 89 -16.975 0.832 6.743 1.00 0.00 C ATOM 1424 O GLU A 89 -17.011 1.814 7.485 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.577 0.790 4.313 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.325 1.486 2.983 1.00 0.00 C ATOM 1427 CD GLU A 89 -16.090 0.967 2.273 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -14.985 1.479 2.552 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -16.229 0.053 1.434 1.00 0.00 O ATOM 0 H GLU A 89 -15.565 -0.645 4.276 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.997 1.945 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.740 -0.272 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.494 1.183 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.193 1.352 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.217 2.557 3.153 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.391 -0.374 7.121 1.00 0.00 N ATOM 1437 CA ARG A 90 -17.930 -0.609 8.458 1.00 0.00 C ATOM 1438 C ARG A 90 -16.828 -0.572 9.513 1.00 0.00 C ATOM 1439 O ARG A 90 -17.107 -0.472 10.707 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.667 -1.950 8.515 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.784 -3.149 8.213 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.547 -4.454 8.379 1.00 0.00 C ATOM 1443 NE ARG A 90 -19.050 -4.621 9.741 1.00 0.00 N ATOM 1444 CZ ARG A 90 -20.030 -5.459 10.068 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -20.610 -6.203 9.135 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -20.431 -5.551 11.329 1.00 0.00 N ATOM 0 H ARG A 90 -17.366 -1.200 6.524 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.637 0.192 8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.103 -2.072 9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.493 -1.931 7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.403 -3.075 7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.920 -3.143 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.381 -4.478 7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -17.895 -5.290 8.128 1.00 0.00 H new ATOM 0 HE ARG A 90 -18.626 -4.064 10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.305 -6.133 8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -21.361 -6.845 9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.988 -4.979 12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -21.182 -6.194 11.580 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.578 -0.654 9.067 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.441 -0.625 9.983 1.00 0.00 C ATOM 1462 C LYS A 91 -14.215 0.783 10.523 1.00 0.00 C ATOM 1463 O LYS A 91 -13.946 0.967 11.710 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.174 -1.121 9.282 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.180 -2.613 8.990 1.00 0.00 C ATOM 1466 CD LYS A 91 -11.859 -3.073 8.392 1.00 0.00 C ATOM 1467 CE LYS A 91 -10.730 -3.018 9.412 1.00 0.00 C ATOM 1468 NZ LYS A 91 -10.999 -3.895 10.585 1.00 0.00 N ATOM 0 H LYS A 91 -15.327 -0.741 8.082 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.667 -1.287 10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.051 -0.577 8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.310 -0.885 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.374 -3.163 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -13.992 -2.846 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.963 -4.092 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.608 -2.445 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.797 -3.322 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.596 -1.990 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.098 -4.238 10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.509 -3.355 11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.578 -4.706 10.287 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.327 1.772 9.643 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.135 3.167 10.028 1.00 0.00 C ATOM 1484 C LEU A 92 -15.419 3.750 10.606 1.00 0.00 C ATOM 1485 O LEU A 92 -15.475 4.932 10.948 1.00 0.00 O ATOM 1486 CB LEU A 92 -13.684 3.992 8.821 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.452 3.455 8.089 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.169 4.283 6.845 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.239 3.447 9.008 1.00 0.00 C ATOM 0 H LEU A 92 -14.550 1.634 8.657 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.361 3.206 10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.510 4.052 8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.475 5.009 9.154 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.657 2.429 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.290 3.887 6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.027 4.237 6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.987 5.319 7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.375 3.062 8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.032 4.462 9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.440 2.811 9.870 1.00 0.00 H new ATOM 1501 N MET A 93 -16.445 2.914 10.711 1.00 0.00 N ATOM 1502 CA MET A 93 -17.733 3.343 11.244 1.00 0.00 C ATOM 1503 C MET A 93 -17.947 2.805 12.657 1.00 0.00 C ATOM 1504 O MET A 93 -18.459 3.510 13.527 1.00 0.00 O ATOM 1505 CB MET A 93 -18.865 2.868 10.330 1.00 0.00 C ATOM 1506 CG MET A 93 -20.241 3.351 10.760 1.00 0.00 C ATOM 1507 SD MET A 93 -21.568 2.622 9.783 1.00 0.00 S ATOM 1508 CE MET A 93 -21.407 0.896 10.230 1.00 0.00 C ATOM 0 H MET A 93 -16.410 1.933 10.434 1.00 0.00 H new ATOM 0 HA MET A 93 -17.737 4.432 11.286 1.00 0.00 H new ATOM 0 HB2 MET A 93 -18.669 3.213 9.315 1.00 0.00 H new ATOM 0 HB3 MET A 93 -18.864 1.778 10.302 1.00 0.00 H new ATOM 0 HG2 MET A 93 -20.394 3.110 11.812 1.00 0.00 H new ATOM 0 HG3 MET A 93 -20.285 4.437 10.673 1.00 0.00 H new ATOM 0 HE1 MET A 93 -22.396 0.440 10.281 1.00 0.00 H new ATOM 0 HE2 MET A 93 -20.808 0.380 9.480 1.00 0.00 H new ATOM 0 HE3 MET A 93 -20.920 0.816 11.202 1.00 0.00 H new ATOM 1518 N THR A 94 -17.552 1.553 12.875 1.00 0.00 N ATOM 1519 CA THR A 94 -17.702 0.921 14.180 1.00 0.00 C ATOM 1520 C THR A 94 -16.937 1.686 15.255 1.00 0.00 C ATOM 1521 O THR A 94 -15.907 2.301 14.979 1.00 0.00 O ATOM 1522 CB THR A 94 -17.214 -0.541 14.162 1.00 0.00 C ATOM 1523 OG1 THR A 94 -17.373 -1.127 15.459 1.00 0.00 O ATOM 1524 CG2 THR A 94 -15.754 -0.623 13.740 1.00 0.00 C ATOM 0 H THR A 94 -17.126 0.958 12.164 1.00 0.00 H new ATOM 0 HA THR A 94 -18.767 0.936 14.414 1.00 0.00 H new ATOM 0 HB THR A 94 -17.816 -1.090 13.438 1.00 0.00 H new ATOM 0 HG1 THR A 94 -17.062 -2.056 15.438 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.435 -1.665 13.736 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.640 -0.204 12.740 1.00 0.00 H new ATOM 0 HG23 THR A 94 -15.140 -0.058 14.442 1.00 0.00 H new ATOM 1532 N ASN A 95 -17.453 1.639 16.482 1.00 0.00 N ATOM 1533 CA ASN A 95 -16.827 2.323 17.610 1.00 0.00 C ATOM 1534 C ASN A 95 -16.687 3.818 17.334 1.00 0.00 C ATOM 1535 O ASN A 95 -15.625 4.228 16.818 1.00 0.00 O ATOM 1536 CB ASN A 95 -15.454 1.714 17.909 1.00 0.00 C ATOM 1537 CG ASN A 95 -14.815 2.307 19.149 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -15.001 1.806 20.257 1.00 0.00 O ATOM 1539 ND2 ASN A 95 -14.057 3.383 18.967 1.00 0.00 N ATOM 1540 OXT ASN A 95 -17.640 4.566 17.638 1.00 0.00 O ATOM 0 H ASN A 95 -18.306 1.132 16.720 1.00 0.00 H new ATOM 0 HA ASN A 95 -17.470 2.193 18.481 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.558 0.637 18.037 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.796 1.871 17.054 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.602 3.827 19.765 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.930 3.765 18.030 1.00 0.00 H new TER 1547 ASN A 95