USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 735 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 117 ASN :FLIP amide:sc= -0.0379 F(o=-1.2!,f=-0.038) USER MOD Set 1.2: A 119 ASN : amide:sc= 0 X(o=-0.038,f=-0.18) USER MOD Set 2.1: A 36 MET CE :methyl -136:sc= -0.886 (180deg=-2.5) USER MOD Set 2.2: A 77 SER OG : rot -149:sc= -1.2 USER MOD Set 2.3: A 91 GLN : amide:sc= -7.02! C(o=-9.1!,f=-13!) USER MOD Set 3.1: A 59 THR OG1 : rot -31:sc= 0.569 USER MOD Set 3.2: A 64 SER OG : rot -74:sc= 0.326 USER MOD Set 3.3: A 65 ASN :FLIP amide:sc= 0.31 F(o=0.57,f=1.2) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 1.13 (180deg=-0.0295!) USER MOD Single : A 34 THR OG1 : rot 60:sc= 1.17 USER MOD Single : A 38 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.83) USER MOD Single : A 39 THR OG1 : rot 69:sc= 0.608 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.01) USER MOD Single : A 69 SER OG : rot 180:sc= 0.03 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 162:sc= -0.0807 (180deg=-0.451) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -147:sc= 1.1 (180deg=0.536) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -160:sc= 0.00259 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 144:sc= -1.04 (180deg=-2.8) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 122 SER OG : rot -40:sc= 0.639 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 128 GLN :FLIP amide:sc= -0.129 F(o=-1.1,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 26 -15.605 -10.054 -4.149 1.00 0.00 N ATOM 36 CA ASN A 26 -16.347 -8.800 -4.191 1.00 0.00 C ATOM 37 C ASN A 26 -15.793 -7.875 -5.264 1.00 0.00 C ATOM 38 O ASN A 26 -15.099 -6.903 -4.966 1.00 0.00 O ATOM 39 CB ASN A 26 -16.313 -8.121 -2.815 1.00 0.00 C ATOM 40 CG ASN A 26 -17.070 -8.906 -1.761 1.00 0.00 C ATOM 41 OD1 ASN A 26 -16.512 -9.786 -1.098 1.00 0.00 O ATOM 42 ND2 ASN A 26 -18.345 -8.593 -1.595 1.00 0.00 N ATOM 0 HA ASN A 26 -17.384 -9.020 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.277 -8.000 -2.499 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.741 -7.122 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.905 -9.085 -0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -18.768 -7.859 -2.163 1.00 0.00 H new ATOM 49 N TYR A 27 -16.118 -8.173 -6.517 1.00 0.00 N ATOM 50 CA TYR A 27 -15.566 -7.440 -7.651 1.00 0.00 C ATOM 51 C TYR A 27 -15.969 -5.972 -7.601 1.00 0.00 C ATOM 52 O TYR A 27 -15.201 -5.094 -7.994 1.00 0.00 O ATOM 53 CB TYR A 27 -16.025 -8.064 -8.973 1.00 0.00 C ATOM 54 CG TYR A 27 -15.725 -9.544 -9.082 1.00 0.00 C ATOM 55 CD1 TYR A 27 -14.446 -10.000 -9.382 1.00 0.00 C ATOM 56 CD2 TYR A 27 -16.726 -10.487 -8.882 1.00 0.00 C ATOM 57 CE1 TYR A 27 -14.176 -11.352 -9.477 1.00 0.00 C ATOM 58 CE2 TYR A 27 -16.462 -11.838 -8.977 1.00 0.00 C ATOM 59 CZ TYR A 27 -15.188 -12.265 -9.273 1.00 0.00 C ATOM 60 OH TYR A 27 -14.924 -13.613 -9.363 1.00 0.00 O ATOM 0 H TYR A 27 -16.763 -8.920 -6.774 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.479 -7.502 -7.590 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -17.098 -7.910 -9.084 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.541 -7.542 -9.799 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.651 -9.287 -9.543 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.727 -10.157 -8.648 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.177 -11.691 -9.710 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.252 -12.557 -8.820 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.745 -14.119 -9.191 1.00 0.00 H new ATOM 70 N LEU A 28 -17.172 -5.715 -7.100 1.00 0.00 N ATOM 71 CA LEU A 28 -17.667 -4.349 -6.958 1.00 0.00 C ATOM 72 C LEU A 28 -16.851 -3.604 -5.910 1.00 0.00 C ATOM 73 O LEU A 28 -16.502 -2.434 -6.084 1.00 0.00 O ATOM 74 CB LEU A 28 -19.148 -4.352 -6.560 1.00 0.00 C ATOM 75 CG LEU A 28 -20.095 -5.056 -7.537 1.00 0.00 C ATOM 76 CD1 LEU A 28 -21.521 -5.018 -7.012 1.00 0.00 C ATOM 77 CD2 LEU A 28 -20.019 -4.416 -8.915 1.00 0.00 C ATOM 0 H LEU A 28 -17.823 -6.434 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.564 -3.843 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.242 -4.828 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.477 -3.319 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 28 -19.784 -6.097 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.182 -5.522 -7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -21.567 -5.523 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.838 -3.982 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -20.699 -4.931 -9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.303 -3.366 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -19.000 -4.492 -9.296 1.00 0.00 H new ATOM 89 N ARG A 29 -16.547 -4.299 -4.819 1.00 0.00 N ATOM 90 CA ARG A 29 -15.714 -3.746 -3.761 1.00 0.00 C ATOM 91 C ARG A 29 -14.294 -3.540 -4.267 1.00 0.00 C ATOM 92 O ARG A 29 -13.644 -2.552 -3.933 1.00 0.00 O ATOM 93 CB ARG A 29 -15.699 -4.680 -2.550 1.00 0.00 C ATOM 94 CG ARG A 29 -14.797 -4.206 -1.422 1.00 0.00 C ATOM 95 CD ARG A 29 -14.670 -5.252 -0.323 1.00 0.00 C ATOM 96 NE ARG A 29 -15.962 -5.600 0.274 1.00 0.00 N ATOM 97 CZ ARG A 29 -16.191 -6.724 0.956 1.00 0.00 C ATOM 98 NH1 ARG A 29 -15.228 -7.631 1.092 1.00 0.00 N ATOM 99 NH2 ARG A 29 -17.385 -6.946 1.489 1.00 0.00 N ATOM 0 H ARG A 29 -16.868 -5.252 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.131 -2.785 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.715 -4.784 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.375 -5.670 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.809 -3.974 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.196 -3.283 -1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.209 -6.151 -0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.003 -4.878 0.454 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.734 -4.943 0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.312 -7.468 0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.406 -8.489 1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.129 -6.257 1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.559 -7.805 2.010 1.00 0.00 H new ATOM 113 N LYS A 30 -13.821 -4.480 -5.077 1.00 0.00 N ATOM 114 CA LYS A 30 -12.483 -4.399 -5.645 1.00 0.00 C ATOM 115 C LYS A 30 -12.305 -3.121 -6.447 1.00 0.00 C ATOM 116 O LYS A 30 -11.278 -2.458 -6.335 1.00 0.00 O ATOM 117 CB LYS A 30 -12.169 -5.611 -6.523 1.00 0.00 C ATOM 118 CG LYS A 30 -11.929 -6.894 -5.748 1.00 0.00 C ATOM 119 CD LYS A 30 -11.401 -7.990 -6.658 1.00 0.00 C ATOM 120 CE LYS A 30 -11.132 -9.272 -5.891 1.00 0.00 C ATOM 121 NZ LYS A 30 -10.458 -10.287 -6.739 1.00 0.00 N ATOM 0 H LYS A 30 -14.347 -5.309 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.783 -4.391 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.995 -5.767 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.286 -5.392 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.216 -6.709 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.858 -7.220 -5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.123 -8.185 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.482 -7.653 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.511 -9.053 -5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.072 -9.677 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.021 -11.011 -6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.157 -10.736 -7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.723 -9.827 -7.314 1.00 0.00 H new ATOM 135 N ALA A 31 -13.294 -2.776 -7.267 1.00 0.00 N ATOM 136 CA ALA A 31 -13.255 -1.528 -8.016 1.00 0.00 C ATOM 137 C ALA A 31 -13.201 -0.317 -7.095 1.00 0.00 C ATOM 138 O ALA A 31 -12.553 0.678 -7.409 1.00 0.00 O ATOM 139 CB ALA A 31 -14.457 -1.438 -8.937 1.00 0.00 C ATOM 0 H ALA A 31 -14.128 -3.341 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.343 -1.525 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.420 -0.501 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.444 -2.275 -9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.372 -1.473 -8.346 1.00 0.00 H new ATOM 145 N ALA A 32 -13.866 -0.408 -5.950 1.00 0.00 N ATOM 146 CA ALA A 32 -13.837 0.673 -4.974 1.00 0.00 C ATOM 147 C ALA A 32 -12.443 0.783 -4.376 1.00 0.00 C ATOM 148 O ALA A 32 -11.912 1.878 -4.179 1.00 0.00 O ATOM 149 CB ALA A 32 -14.877 0.444 -3.886 1.00 0.00 C ATOM 0 H ALA A 32 -14.428 -1.214 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.081 1.610 -5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.838 1.263 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.870 0.401 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.669 -0.496 -3.376 1.00 0.00 H new ATOM 155 N LEU A 33 -11.844 -0.375 -4.122 1.00 0.00 N ATOM 156 CA LEU A 33 -10.480 -0.447 -3.617 1.00 0.00 C ATOM 157 C LEU A 33 -9.508 0.051 -4.682 1.00 0.00 C ATOM 158 O LEU A 33 -8.482 0.657 -4.376 1.00 0.00 O ATOM 159 CB LEU A 33 -10.141 -1.887 -3.219 1.00 0.00 C ATOM 160 CG LEU A 33 -11.086 -2.519 -2.189 1.00 0.00 C ATOM 161 CD1 LEU A 33 -10.696 -3.962 -1.913 1.00 0.00 C ATOM 162 CD2 LEU A 33 -11.093 -1.716 -0.897 1.00 0.00 C ATOM 0 H LEU A 33 -12.287 -1.283 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.392 0.187 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.142 -2.505 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.127 -1.908 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.093 -2.508 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.380 -4.390 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.750 -4.537 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.679 -3.996 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.770 -2.183 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.086 -1.689 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.428 -0.699 -1.102 1.00 0.00 H new ATOM 174 N THR A 34 -9.849 -0.202 -5.935 1.00 0.00 N ATOM 175 CA THR A 34 -9.057 0.271 -7.054 1.00 0.00 C ATOM 176 C THR A 34 -9.170 1.789 -7.175 1.00 0.00 C ATOM 177 O THR A 34 -8.196 2.474 -7.466 1.00 0.00 O ATOM 178 CB THR A 34 -9.505 -0.396 -8.371 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.403 -1.821 -8.259 1.00 0.00 O ATOM 180 CG2 THR A 34 -8.659 0.081 -9.541 1.00 0.00 C ATOM 0 H THR A 34 -10.676 -0.737 -6.202 1.00 0.00 H new ATOM 0 HA THR A 34 -8.017 0.002 -6.870 1.00 0.00 H new ATOM 0 HB THR A 34 -10.542 -0.115 -8.554 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.969 -2.133 -7.522 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.997 -0.405 -10.456 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.759 1.161 -9.646 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.614 -0.171 -9.361 1.00 0.00 H new ATOM 188 N ASP A 35 -10.364 2.304 -6.911 1.00 0.00 N ATOM 189 CA ASP A 35 -10.634 3.735 -7.006 1.00 0.00 C ATOM 190 C ASP A 35 -9.819 4.521 -5.987 1.00 0.00 C ATOM 191 O ASP A 35 -9.191 5.528 -6.322 1.00 0.00 O ATOM 192 CB ASP A 35 -12.127 4.003 -6.800 1.00 0.00 C ATOM 193 CG ASP A 35 -12.445 5.472 -6.617 1.00 0.00 C ATOM 194 OD1 ASP A 35 -12.436 6.221 -7.616 1.00 0.00 O ATOM 195 OD2 ASP A 35 -12.722 5.882 -5.472 1.00 0.00 O ATOM 0 H ASP A 35 -11.169 1.746 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.341 4.067 -8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.681 3.621 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.472 3.451 -5.926 1.00 0.00 H new ATOM 200 N MET A 36 -9.809 4.049 -4.747 1.00 0.00 N ATOM 201 CA MET A 36 -9.030 4.707 -3.704 1.00 0.00 C ATOM 202 C MET A 36 -7.539 4.566 -3.995 1.00 0.00 C ATOM 203 O MET A 36 -6.754 5.479 -3.736 1.00 0.00 O ATOM 204 CB MET A 36 -9.361 4.149 -2.315 1.00 0.00 C ATOM 205 CG MET A 36 -9.141 2.654 -2.189 1.00 0.00 C ATOM 206 SD MET A 36 -9.215 2.073 -0.486 1.00 0.00 S ATOM 207 CE MET A 36 -7.827 2.954 0.225 1.00 0.00 C ATOM 0 H MET A 36 -10.324 3.224 -4.440 1.00 0.00 H new ATOM 0 HA MET A 36 -9.295 5.764 -3.704 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.749 4.661 -1.572 1.00 0.00 H new ATOM 0 HB3 MET A 36 -10.401 4.375 -2.081 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.894 2.131 -2.779 1.00 0.00 H new ATOM 0 HG3 MET A 36 -8.170 2.398 -2.612 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.253 2.278 0.858 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.189 3.333 -0.573 1.00 0.00 H new ATOM 0 HE3 MET A 36 -8.193 3.788 0.823 1.00 0.00 H new ATOM 217 N LEU A 37 -7.155 3.420 -4.552 1.00 0.00 N ATOM 218 CA LEU A 37 -5.778 3.193 -4.968 1.00 0.00 C ATOM 219 C LEU A 37 -5.393 4.167 -6.078 1.00 0.00 C ATOM 220 O LEU A 37 -4.303 4.736 -6.073 1.00 0.00 O ATOM 221 CB LEU A 37 -5.606 1.754 -5.458 1.00 0.00 C ATOM 222 CG LEU A 37 -4.199 1.385 -5.936 1.00 0.00 C ATOM 223 CD1 LEU A 37 -3.256 1.202 -4.756 1.00 0.00 C ATOM 224 CD2 LEU A 37 -4.249 0.130 -6.787 1.00 0.00 C ATOM 0 H LEU A 37 -7.782 2.634 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.125 3.358 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.886 1.078 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.306 1.581 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.815 2.203 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.263 0.940 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.201 2.130 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.628 0.404 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.243 -0.123 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.653 -0.693 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.887 0.303 -7.654 1.00 0.00 H new ATOM 236 N GLN A 38 -6.310 4.366 -7.020 1.00 0.00 N ATOM 237 CA GLN A 38 -6.100 5.288 -8.128 1.00 0.00 C ATOM 238 C GLN A 38 -6.001 6.724 -7.643 1.00 0.00 C ATOM 239 O GLN A 38 -5.448 7.578 -8.327 1.00 0.00 O ATOM 240 CB GLN A 38 -7.212 5.151 -9.165 1.00 0.00 C ATOM 241 CG GLN A 38 -7.086 3.889 -9.999 1.00 0.00 C ATOM 242 CD GLN A 38 -5.811 3.870 -10.821 1.00 0.00 C ATOM 243 OE1 GLN A 38 -5.322 4.915 -11.258 1.00 0.00 O ATOM 244 NE2 GLN A 38 -5.252 2.689 -11.026 1.00 0.00 N ATOM 0 H GLN A 38 -7.215 3.895 -7.036 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.152 5.027 -8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.177 5.151 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.197 6.019 -9.824 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.106 3.019 -9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.946 3.807 -10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.686 1.847 -10.649 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.387 2.620 -11.562 1.00 0.00 H new ATOM 253 N THR A 39 -6.561 6.990 -6.474 1.00 0.00 N ATOM 254 CA THR A 39 -6.402 8.288 -5.840 1.00 0.00 C ATOM 255 C THR A 39 -4.986 8.422 -5.274 1.00 0.00 C ATOM 256 O THR A 39 -4.368 9.486 -5.336 1.00 0.00 O ATOM 257 CB THR A 39 -7.434 8.474 -4.713 1.00 0.00 C ATOM 258 OG1 THR A 39 -8.748 8.187 -5.214 1.00 0.00 O ATOM 259 CG2 THR A 39 -7.399 9.893 -4.158 1.00 0.00 C ATOM 0 H THR A 39 -7.128 6.326 -5.946 1.00 0.00 H new ATOM 0 HA THR A 39 -6.566 9.061 -6.591 1.00 0.00 H new ATOM 0 HB THR A 39 -7.184 7.786 -3.905 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.821 7.230 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.139 9.992 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.407 10.103 -3.757 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.625 10.601 -4.955 1.00 0.00 H new ATOM 267 N PHE A 40 -4.472 7.316 -4.746 1.00 0.00 N ATOM 268 CA PHE A 40 -3.127 7.282 -4.184 1.00 0.00 C ATOM 269 C PHE A 40 -2.065 7.375 -5.282 1.00 0.00 C ATOM 270 O PHE A 40 -0.998 7.949 -5.069 1.00 0.00 O ATOM 271 CB PHE A 40 -2.922 6.013 -3.349 1.00 0.00 C ATOM 272 CG PHE A 40 -1.564 5.932 -2.705 1.00 0.00 C ATOM 273 CD1 PHE A 40 -1.104 6.950 -1.883 1.00 0.00 C ATOM 274 CD2 PHE A 40 -0.747 4.836 -2.929 1.00 0.00 C ATOM 275 CE1 PHE A 40 0.146 6.876 -1.300 1.00 0.00 C ATOM 276 CE2 PHE A 40 0.502 4.758 -2.348 1.00 0.00 C ATOM 277 CZ PHE A 40 0.951 5.779 -1.532 1.00 0.00 C ATOM 0 H PHE A 40 -4.970 6.427 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.016 8.149 -3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.687 5.970 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.066 5.141 -3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.730 7.810 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.091 4.034 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.493 7.676 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.129 3.898 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.929 5.719 -1.077 1.00 0.00 H new ATOM 287 N VAL A 41 -2.357 6.788 -6.443 1.00 0.00 N ATOM 288 CA VAL A 41 -1.420 6.761 -7.569 1.00 0.00 C ATOM 289 C VAL A 41 -0.790 8.139 -7.861 1.00 0.00 C ATOM 290 O VAL A 41 0.435 8.239 -7.925 1.00 0.00 O ATOM 291 CB VAL A 41 -2.072 6.183 -8.849 1.00 0.00 C ATOM 292 CG1 VAL A 41 -1.164 6.371 -10.055 1.00 0.00 C ATOM 293 CG2 VAL A 41 -2.388 4.708 -8.656 1.00 0.00 C ATOM 0 H VAL A 41 -3.244 6.320 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.613 6.095 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.000 6.725 -9.033 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.645 5.957 -10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.977 7.434 -10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.218 5.857 -9.882 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.846 4.312 -9.562 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.467 4.163 -8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.077 4.590 -7.820 1.00 0.00 H new ATOM 303 N PRO A 42 -1.587 9.221 -8.037 1.00 0.00 N ATOM 304 CA PRO A 42 -1.034 10.565 -8.235 1.00 0.00 C ATOM 305 C PRO A 42 -0.145 11.004 -7.076 1.00 0.00 C ATOM 306 O PRO A 42 0.866 11.679 -7.282 1.00 0.00 O ATOM 307 CB PRO A 42 -2.266 11.469 -8.331 1.00 0.00 C ATOM 308 CG PRO A 42 -3.372 10.559 -8.727 1.00 0.00 C ATOM 309 CD PRO A 42 -3.058 9.232 -8.095 1.00 0.00 C ATOM 0 HA PRO A 42 -0.398 10.605 -9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.475 11.955 -7.378 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.121 12.259 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.333 10.939 -8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.436 10.470 -9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.500 9.145 -7.102 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.443 8.403 -8.689 1.00 0.00 H new ATOM 317 N TYR A 43 -0.509 10.616 -5.856 1.00 0.00 N ATOM 318 CA TYR A 43 0.283 10.972 -4.683 1.00 0.00 C ATOM 319 C TYR A 43 1.623 10.251 -4.691 1.00 0.00 C ATOM 320 O TYR A 43 2.601 10.749 -4.140 1.00 0.00 O ATOM 321 CB TYR A 43 -0.470 10.644 -3.389 1.00 0.00 C ATOM 322 CG TYR A 43 -1.620 11.581 -3.087 1.00 0.00 C ATOM 323 CD1 TYR A 43 -1.489 12.579 -2.127 1.00 0.00 C ATOM 324 CD2 TYR A 43 -2.836 11.471 -3.751 1.00 0.00 C ATOM 325 CE1 TYR A 43 -2.533 13.438 -1.843 1.00 0.00 C ATOM 326 CE2 TYR A 43 -3.882 12.327 -3.474 1.00 0.00 C ATOM 327 CZ TYR A 43 -3.728 13.307 -2.518 1.00 0.00 C ATOM 328 OH TYR A 43 -4.771 14.161 -2.239 1.00 0.00 O ATOM 0 H TYR A 43 -1.340 10.060 -5.655 1.00 0.00 H new ATOM 0 HA TYR A 43 0.460 12.047 -4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.853 9.625 -3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.233 10.669 -2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.555 12.684 -1.595 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.965 10.701 -4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.414 14.209 -1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.818 12.229 -4.004 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.540 13.934 -2.803 1.00 0.00 H new ATOM 338 N ARG A 44 1.666 9.078 -5.317 1.00 0.00 N ATOM 339 CA ARG A 44 2.905 8.312 -5.415 1.00 0.00 C ATOM 340 C ARG A 44 3.978 9.133 -6.105 1.00 0.00 C ATOM 341 O ARG A 44 5.115 9.173 -5.654 1.00 0.00 O ATOM 342 CB ARG A 44 2.700 7.007 -6.179 1.00 0.00 C ATOM 343 CG ARG A 44 1.675 6.085 -5.556 1.00 0.00 C ATOM 344 CD ARG A 44 1.702 4.708 -6.209 1.00 0.00 C ATOM 345 NE ARG A 44 1.698 4.783 -7.672 1.00 0.00 N ATOM 346 CZ ARG A 44 1.670 3.716 -8.470 1.00 0.00 C ATOM 347 NH1 ARG A 44 1.608 2.497 -7.950 1.00 0.00 N ATOM 348 NH2 ARG A 44 1.710 3.865 -9.787 1.00 0.00 N ATOM 0 H ARG A 44 0.861 8.638 -5.762 1.00 0.00 H new ATOM 0 HA ARG A 44 3.220 8.071 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.393 7.239 -7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.653 6.483 -6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.871 5.988 -4.488 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.681 6.520 -5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.590 4.169 -5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.838 4.134 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 44 1.718 5.706 -8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.582 2.375 -6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.587 1.682 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.762 4.799 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.688 3.045 -10.394 1.00 0.00 H new ATOM 362 N THR A 45 3.611 9.763 -7.209 1.00 0.00 N ATOM 363 CA THR A 45 4.498 10.690 -7.894 1.00 0.00 C ATOM 364 C THR A 45 5.026 11.767 -6.942 1.00 0.00 C ATOM 365 O THR A 45 6.217 12.063 -6.935 1.00 0.00 O ATOM 366 CB THR A 45 3.763 11.344 -9.076 1.00 0.00 C ATOM 367 OG1 THR A 45 3.198 10.321 -9.908 1.00 0.00 O ATOM 368 CG2 THR A 45 4.701 12.214 -9.900 1.00 0.00 C ATOM 0 H THR A 45 2.700 9.648 -7.652 1.00 0.00 H new ATOM 0 HA THR A 45 5.352 10.125 -8.267 1.00 0.00 H new ATOM 0 HB THR A 45 2.974 11.982 -8.679 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.727 10.735 -10.661 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.150 12.661 -10.727 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.113 13.002 -9.270 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.513 11.602 -10.294 1.00 0.00 H new ATOM 376 N ALA A 46 4.150 12.323 -6.115 1.00 0.00 N ATOM 377 CA ALA A 46 4.561 13.316 -5.123 1.00 0.00 C ATOM 378 C ALA A 46 5.539 12.693 -4.127 1.00 0.00 C ATOM 379 O ALA A 46 6.507 13.324 -3.696 1.00 0.00 O ATOM 380 CB ALA A 46 3.347 13.880 -4.400 1.00 0.00 C ATOM 0 H ALA A 46 3.153 12.106 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 46 5.064 14.136 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.671 14.617 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.682 14.355 -5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.817 13.073 -3.894 1.00 0.00 H new ATOM 386 N VAL A 47 5.280 11.437 -3.799 1.00 0.00 N ATOM 387 CA VAL A 47 6.144 10.673 -2.909 1.00 0.00 C ATOM 388 C VAL A 47 7.507 10.456 -3.564 1.00 0.00 C ATOM 389 O VAL A 47 8.545 10.652 -2.938 1.00 0.00 O ATOM 390 CB VAL A 47 5.516 9.309 -2.538 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.487 8.464 -1.727 1.00 0.00 C ATOM 392 CG2 VAL A 47 4.218 9.501 -1.767 1.00 0.00 C ATOM 0 H VAL A 47 4.470 10.919 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 47 6.267 11.247 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 47 5.294 8.783 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.020 7.511 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.390 8.285 -2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.747 8.990 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.796 8.528 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.418 10.056 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.509 10.058 -2.380 1.00 0.00 H new ATOM 402 N GLU A 48 7.480 10.079 -4.836 1.00 0.00 N ATOM 403 CA GLU A 48 8.695 9.868 -5.617 1.00 0.00 C ATOM 404 C GLU A 48 9.507 11.149 -5.741 1.00 0.00 C ATOM 405 O GLU A 48 10.731 11.125 -5.644 1.00 0.00 O ATOM 406 CB GLU A 48 8.348 9.343 -7.013 1.00 0.00 C ATOM 407 CG GLU A 48 8.066 7.855 -7.056 1.00 0.00 C ATOM 408 CD GLU A 48 9.337 7.033 -6.985 1.00 0.00 C ATOM 409 OE1 GLU A 48 9.970 6.835 -8.043 1.00 0.00 O ATOM 410 OE2 GLU A 48 9.721 6.597 -5.879 1.00 0.00 O ATOM 0 H GLU A 48 6.618 9.911 -5.355 1.00 0.00 H new ATOM 0 HA GLU A 48 9.299 9.129 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.475 9.879 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.173 9.566 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.413 7.586 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.530 7.614 -7.974 1.00 0.00 H new ATOM 417 N LEU A 49 8.822 12.265 -5.959 1.00 0.00 N ATOM 418 CA LEU A 49 9.483 13.560 -6.071 1.00 0.00 C ATOM 419 C LEU A 49 10.131 13.947 -4.752 1.00 0.00 C ATOM 420 O LEU A 49 11.253 14.454 -4.725 1.00 0.00 O ATOM 421 CB LEU A 49 8.492 14.642 -6.512 1.00 0.00 C ATOM 422 CG LEU A 49 8.401 14.880 -8.024 1.00 0.00 C ATOM 423 CD1 LEU A 49 9.703 15.457 -8.557 1.00 0.00 C ATOM 424 CD2 LEU A 49 8.059 13.594 -8.759 1.00 0.00 C ATOM 0 H LEU A 49 7.808 12.300 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 49 10.261 13.476 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.502 14.374 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.768 15.580 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 49 7.602 15.600 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.617 15.618 -9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.909 16.407 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.518 14.760 -8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.001 13.791 -9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.832 12.850 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.099 13.218 -8.407 1.00 0.00 H new ATOM 436 N CYS A 50 9.422 13.699 -3.660 1.00 0.00 N ATOM 437 CA CYS A 50 9.969 13.930 -2.333 1.00 0.00 C ATOM 438 C CYS A 50 11.169 13.012 -2.095 1.00 0.00 C ATOM 439 O CYS A 50 12.241 13.462 -1.688 1.00 0.00 O ATOM 440 CB CYS A 50 8.889 13.704 -1.269 1.00 0.00 C ATOM 441 SG CYS A 50 9.504 13.751 0.441 1.00 0.00 S ATOM 0 H CYS A 50 8.468 13.338 -3.668 1.00 0.00 H new ATOM 0 HA CYS A 50 10.307 14.964 -2.261 1.00 0.00 H new ATOM 0 HB2 CYS A 50 8.116 14.463 -1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.417 12.738 -1.447 1.00 0.00 H new ATOM 446 N ALA A 51 10.976 11.721 -2.353 1.00 0.00 N ATOM 447 CA ALA A 51 12.063 10.746 -2.295 1.00 0.00 C ATOM 448 C ALA A 51 13.244 11.156 -3.171 1.00 0.00 C ATOM 449 O ALA A 51 14.384 10.847 -2.860 1.00 0.00 O ATOM 450 CB ALA A 51 11.563 9.370 -2.709 1.00 0.00 C ATOM 0 H ALA A 51 10.071 11.324 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 51 12.411 10.709 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.384 8.655 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.767 9.054 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.179 9.414 -3.728 1.00 0.00 H new ATOM 456 N LEU A 52 12.969 11.861 -4.255 1.00 0.00 N ATOM 457 CA LEU A 52 14.019 12.311 -5.165 1.00 0.00 C ATOM 458 C LEU A 52 14.800 13.478 -4.558 1.00 0.00 C ATOM 459 O LEU A 52 15.973 13.686 -4.869 1.00 0.00 O ATOM 460 CB LEU A 52 13.408 12.734 -6.508 1.00 0.00 C ATOM 461 CG LEU A 52 14.410 13.198 -7.567 1.00 0.00 C ATOM 462 CD1 LEU A 52 15.298 12.047 -8.010 1.00 0.00 C ATOM 463 CD2 LEU A 52 13.682 13.808 -8.756 1.00 0.00 C ATOM 0 H LEU A 52 12.026 12.137 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 52 14.707 11.482 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.842 11.894 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.697 13.540 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 52 15.047 13.964 -7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.003 12.400 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 52 15.848 11.660 -7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.682 11.254 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.409 14.133 -9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.019 13.064 -9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.096 14.665 -8.423 1.00 0.00 H new ATOM 475 N GLU A 53 14.145 14.221 -3.679 1.00 0.00 N ATOM 476 CA GLU A 53 14.734 15.411 -3.076 1.00 0.00 C ATOM 477 C GLU A 53 15.878 15.037 -2.131 1.00 0.00 C ATOM 478 O GLU A 53 16.961 15.623 -2.183 1.00 0.00 O ATOM 479 CB GLU A 53 13.654 16.190 -2.318 1.00 0.00 C ATOM 480 CG GLU A 53 14.088 17.575 -1.873 1.00 0.00 C ATOM 481 CD GLU A 53 14.373 18.489 -3.041 1.00 0.00 C ATOM 482 OE1 GLU A 53 15.556 18.657 -3.395 1.00 0.00 O ATOM 483 OE2 GLU A 53 13.414 19.045 -3.616 1.00 0.00 O ATOM 0 H GLU A 53 13.196 14.020 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 53 15.144 16.037 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.774 16.283 -2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.354 15.616 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.308 18.015 -1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.981 17.492 -1.253 1.00 0.00 H new ATOM 490 N HIS A 54 15.638 14.044 -1.284 1.00 0.00 N ATOM 491 CA HIS A 54 16.626 13.656 -0.276 1.00 0.00 C ATOM 492 C HIS A 54 17.236 12.289 -0.593 1.00 0.00 C ATOM 493 O HIS A 54 18.228 11.882 0.006 1.00 0.00 O ATOM 494 CB HIS A 54 15.997 13.656 1.121 1.00 0.00 C ATOM 495 CG HIS A 54 17.000 13.559 2.230 1.00 0.00 C ATOM 496 ND1 HIS A 54 17.145 12.446 3.027 1.00 0.00 N ATOM 497 CD2 HIS A 54 17.910 14.458 2.673 1.00 0.00 C ATOM 498 CE1 HIS A 54 18.097 12.665 3.914 1.00 0.00 C ATOM 499 NE2 HIS A 54 18.577 13.875 3.718 1.00 0.00 N ATOM 0 H HIS A 54 14.778 13.495 -1.271 1.00 0.00 H new ATOM 0 HA HIS A 54 17.430 14.392 -0.295 1.00 0.00 H new ATOM 0 HB2 HIS A 54 15.414 14.568 1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 54 15.301 12.820 1.197 1.00 0.00 H new ATOM 0 HD2 HIS A 54 18.078 15.449 2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.426 11.970 4.672 1.00 0.00 H new ATOM 0 HE2 HIS A 54 19.326 14.309 4.258 1.00 0.00 H new ATOM 508 N GLY A 55 16.621 11.585 -1.527 1.00 0.00 N ATOM 509 CA GLY A 55 17.040 10.246 -1.907 1.00 0.00 C ATOM 510 C GLY A 55 16.472 9.187 -0.981 1.00 0.00 C ATOM 511 O GLY A 55 16.394 8.011 -1.339 1.00 0.00 O ATOM 0 H GLY A 55 15.813 11.927 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.720 10.043 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.129 10.190 -1.896 1.00 0.00 H new ATOM 515 N GLY A 56 16.061 9.607 0.208 1.00 0.00 N ATOM 516 CA GLY A 56 15.225 8.761 1.033 1.00 0.00 C ATOM 517 C GLY A 56 13.926 9.423 1.443 1.00 0.00 C ATOM 518 O GLY A 56 13.812 10.651 1.440 1.00 0.00 O ATOM 0 H GLY A 56 16.291 10.514 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.002 7.842 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.778 8.476 1.928 1.00 0.00 H new ATOM 522 N LEU A 57 12.962 8.593 1.822 1.00 0.00 N ATOM 523 CA LEU A 57 11.619 9.035 2.194 1.00 0.00 C ATOM 524 C LEU A 57 11.588 9.703 3.562 1.00 0.00 C ATOM 525 O LEU A 57 10.533 10.134 4.018 1.00 0.00 O ATOM 526 CB LEU A 57 10.663 7.848 2.197 1.00 0.00 C ATOM 527 CG LEU A 57 10.443 7.183 0.841 1.00 0.00 C ATOM 528 CD1 LEU A 57 9.829 5.808 1.023 1.00 0.00 C ATOM 529 CD2 LEU A 57 9.549 8.045 -0.035 1.00 0.00 C ATOM 0 H LEU A 57 13.090 7.583 1.881 1.00 0.00 H new ATOM 0 HA LEU A 57 11.308 9.772 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.042 7.099 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.698 8.181 2.581 1.00 0.00 H new ATOM 0 HG LEU A 57 11.409 7.073 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.678 5.345 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.497 5.187 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.870 5.902 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.403 7.556 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.584 8.182 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.018 9.017 -0.189 1.00 0.00 H new ATOM 541 N ASP A 58 12.730 9.738 4.230 1.00 0.00 N ATOM 542 CA ASP A 58 12.833 10.298 5.578 1.00 0.00 C ATOM 543 C ASP A 58 12.199 11.686 5.668 1.00 0.00 C ATOM 544 O ASP A 58 11.560 12.022 6.665 1.00 0.00 O ATOM 545 CB ASP A 58 14.299 10.374 6.010 1.00 0.00 C ATOM 546 CG ASP A 58 14.947 9.009 6.113 1.00 0.00 C ATOM 547 OD1 ASP A 58 15.414 8.487 5.077 1.00 0.00 O ATOM 548 OD2 ASP A 58 14.995 8.451 7.229 1.00 0.00 O ATOM 0 H ASP A 58 13.611 9.382 3.859 1.00 0.00 H new ATOM 0 HA ASP A 58 12.287 9.634 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.853 10.982 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.364 10.877 6.975 1.00 0.00 H new ATOM 553 N THR A 59 12.374 12.485 4.626 1.00 0.00 N ATOM 554 CA THR A 59 11.833 13.839 4.597 1.00 0.00 C ATOM 555 C THR A 59 10.356 13.858 4.185 1.00 0.00 C ATOM 556 O THR A 59 9.715 14.911 4.192 1.00 0.00 O ATOM 557 CB THR A 59 12.654 14.733 3.634 1.00 0.00 C ATOM 558 OG1 THR A 59 12.165 16.078 3.659 1.00 0.00 O ATOM 559 CG2 THR A 59 12.600 14.201 2.210 1.00 0.00 C ATOM 0 H THR A 59 12.888 12.219 3.786 1.00 0.00 H new ATOM 0 HA THR A 59 11.906 14.234 5.610 1.00 0.00 H new ATOM 0 HB THR A 59 13.690 14.718 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.203 16.073 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.185 14.849 1.557 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.011 13.192 2.183 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.565 14.181 1.868 1.00 0.00 H new ATOM 567 N CYS A 60 9.815 12.694 3.859 1.00 0.00 N ATOM 568 CA CYS A 60 8.462 12.597 3.334 1.00 0.00 C ATOM 569 C CYS A 60 7.473 12.235 4.438 1.00 0.00 C ATOM 570 O CYS A 60 6.805 11.203 4.384 1.00 0.00 O ATOM 571 CB CYS A 60 8.413 11.550 2.223 1.00 0.00 C ATOM 572 SG CYS A 60 9.673 11.789 0.930 1.00 0.00 S ATOM 0 H CYS A 60 10.296 11.799 3.950 1.00 0.00 H new ATOM 0 HA CYS A 60 8.178 13.568 2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.541 10.561 2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.425 11.569 1.762 1.00 0.00 H new ATOM 577 N ASP A 61 7.379 13.088 5.438 1.00 0.00 N ATOM 578 CA ASP A 61 6.508 12.827 6.572 1.00 0.00 C ATOM 579 C ASP A 61 5.338 13.800 6.564 1.00 0.00 C ATOM 580 O ASP A 61 5.495 14.966 6.192 1.00 0.00 O ATOM 581 CB ASP A 61 7.296 12.953 7.876 1.00 0.00 C ATOM 582 CG ASP A 61 6.731 12.081 8.976 1.00 0.00 C ATOM 583 OD1 ASP A 61 7.088 10.883 9.025 1.00 0.00 O ATOM 584 OD2 ASP A 61 5.948 12.584 9.806 1.00 0.00 O ATOM 0 H ASP A 61 7.893 13.967 5.491 1.00 0.00 H new ATOM 0 HA ASP A 61 6.119 11.812 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.336 12.680 7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.291 13.993 8.202 1.00 0.00 H new ATOM 589 N GLY A 62 4.165 13.318 6.957 1.00 0.00 N ATOM 590 CA GLY A 62 2.977 14.146 6.934 1.00 0.00 C ATOM 591 C GLY A 62 3.055 15.288 7.926 1.00 0.00 C ATOM 592 O GLY A 62 3.163 15.061 9.130 1.00 0.00 O ATOM 0 H GLY A 62 4.017 12.366 7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.836 14.548 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.104 13.532 7.157 1.00 0.00 H new ATOM 596 N GLY A 63 3.006 16.509 7.418 1.00 0.00 N ATOM 597 CA GLY A 63 3.089 17.672 8.278 1.00 0.00 C ATOM 598 C GLY A 63 4.509 18.177 8.431 1.00 0.00 C ATOM 599 O GLY A 63 4.804 18.948 9.345 1.00 0.00 O ATOM 0 H GLY A 63 2.910 16.717 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.465 18.467 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.687 17.424 9.260 1.00 0.00 H new ATOM 603 N SER A 64 5.389 17.746 7.540 1.00 0.00 N ATOM 604 CA SER A 64 6.789 18.121 7.607 1.00 0.00 C ATOM 605 C SER A 64 7.302 18.517 6.221 1.00 0.00 C ATOM 606 O SER A 64 6.846 17.979 5.214 1.00 0.00 O ATOM 607 CB SER A 64 7.602 16.951 8.170 1.00 0.00 C ATOM 608 OG SER A 64 8.965 17.291 8.343 1.00 0.00 O ATOM 0 H SER A 64 5.154 17.133 6.759 1.00 0.00 H new ATOM 0 HA SER A 64 6.901 18.982 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.180 16.643 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.523 16.097 7.497 1.00 0.00 H new ATOM 0 HG SER A 64 9.407 17.326 7.469 1.00 0.00 H new ATOM 614 N ASN A 65 8.237 19.467 6.184 1.00 0.00 N ATOM 615 CA ASN A 65 8.858 19.933 4.936 1.00 0.00 C ATOM 616 C ASN A 65 7.830 20.392 3.906 1.00 0.00 C ATOM 617 O ASN A 65 7.988 20.150 2.709 1.00 0.00 O ATOM 618 CB ASN A 65 9.748 18.844 4.323 1.00 0.00 C ATOM 619 CG ASN A 65 10.973 18.540 5.171 1.00 0.00 C ATOM 620 OD1 ASN A 65 10.889 17.520 6.015 1.00 0.00 O flip ATOM 621 ND2 ASN A 65 11.997 19.213 5.060 1.00 0.00 N flip ATOM 0 H ASN A 65 8.588 19.938 7.018 1.00 0.00 H new ATOM 0 HA ASN A 65 9.470 20.794 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.164 17.932 4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.068 19.159 3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.027 19.991 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.816 18.993 5.627 1.00 0.00 H new ATOM 628 N GLY A 66 6.779 21.053 4.370 1.00 0.00 N ATOM 629 CA GLY A 66 5.770 21.575 3.466 1.00 0.00 C ATOM 630 C GLY A 66 4.755 20.526 3.050 1.00 0.00 C ATOM 631 O GLY A 66 3.730 20.847 2.443 1.00 0.00 O ATOM 0 H GLY A 66 6.605 21.238 5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.252 22.405 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.257 21.976 2.577 1.00 0.00 H new ATOM 635 N ILE A 67 5.039 19.275 3.376 1.00 0.00 N ATOM 636 CA ILE A 67 4.152 18.177 3.046 1.00 0.00 C ATOM 637 C ILE A 67 2.906 18.238 3.921 1.00 0.00 C ATOM 638 O ILE A 67 3.007 18.411 5.138 1.00 0.00 O ATOM 639 CB ILE A 67 4.867 16.819 3.223 1.00 0.00 C ATOM 640 CG1 ILE A 67 6.044 16.727 2.246 1.00 0.00 C ATOM 641 CG2 ILE A 67 3.906 15.655 3.009 1.00 0.00 C ATOM 642 CD1 ILE A 67 6.815 15.433 2.348 1.00 0.00 C ATOM 0 H ILE A 67 5.885 18.996 3.873 1.00 0.00 H new ATOM 0 HA ILE A 67 3.859 18.270 2.000 1.00 0.00 H new ATOM 0 HB ILE A 67 5.239 16.755 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.670 16.838 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.723 17.560 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.440 14.714 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.094 15.716 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.497 15.702 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.633 15.439 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.219 15.329 3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.150 14.596 2.136 1.00 0.00 H new ATOM 654 N PRO A 68 1.716 18.124 3.306 1.00 0.00 N ATOM 655 CA PRO A 68 0.437 18.209 4.019 1.00 0.00 C ATOM 656 C PRO A 68 0.309 17.174 5.132 1.00 0.00 C ATOM 657 O PRO A 68 1.102 16.235 5.229 1.00 0.00 O ATOM 658 CB PRO A 68 -0.603 17.938 2.928 1.00 0.00 C ATOM 659 CG PRO A 68 0.079 18.274 1.654 1.00 0.00 C ATOM 660 CD PRO A 68 1.521 17.914 1.860 1.00 0.00 C ATOM 0 HA PRO A 68 0.322 19.173 4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.925 16.897 2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.494 18.549 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.349 17.716 0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.031 19.332 1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.724 16.883 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.183 18.546 1.268 1.00 0.00 H new ATOM 668 N SER A 69 -0.717 17.337 5.948 1.00 0.00 N ATOM 669 CA SER A 69 -0.941 16.470 7.083 1.00 0.00 C ATOM 670 C SER A 69 -1.843 15.314 6.664 1.00 0.00 C ATOM 671 O SER A 69 -2.630 15.461 5.724 1.00 0.00 O ATOM 672 CB SER A 69 -1.568 17.281 8.216 1.00 0.00 C ATOM 673 OG SER A 69 -2.602 18.120 7.725 1.00 0.00 O ATOM 0 H SER A 69 -1.415 18.073 5.840 1.00 0.00 H new ATOM 0 HA SER A 69 0.003 16.055 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.969 16.607 8.972 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.803 17.886 8.702 1.00 0.00 H new ATOM 0 HG SER A 69 -2.991 18.629 8.467 1.00 0.00 H new ATOM 679 N PRO A 70 -1.723 14.144 7.325 1.00 0.00 N ATOM 680 CA PRO A 70 -2.527 12.965 7.002 1.00 0.00 C ATOM 681 C PRO A 70 -4.007 13.305 6.902 1.00 0.00 C ATOM 682 O PRO A 70 -4.598 13.858 7.832 1.00 0.00 O ATOM 683 CB PRO A 70 -2.269 11.998 8.165 1.00 0.00 C ATOM 684 CG PRO A 70 -1.491 12.772 9.178 1.00 0.00 C ATOM 685 CD PRO A 70 -0.800 13.877 8.431 1.00 0.00 C ATOM 0 HA PRO A 70 -2.257 12.542 6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.207 11.636 8.587 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.711 11.124 7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.149 13.176 9.947 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.767 12.132 9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.652 14.757 9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.183 13.571 8.073 1.00 0.00 H new ATOM 693 N THR A 71 -4.590 12.970 5.768 1.00 0.00 N ATOM 694 CA THR A 71 -5.946 13.373 5.459 1.00 0.00 C ATOM 695 C THR A 71 -6.660 12.260 4.701 1.00 0.00 C ATOM 696 O THR A 71 -6.035 11.279 4.299 1.00 0.00 O ATOM 697 CB THR A 71 -5.942 14.674 4.623 1.00 0.00 C ATOM 698 OG1 THR A 71 -7.266 15.208 4.509 1.00 0.00 O ATOM 699 CG2 THR A 71 -5.362 14.427 3.237 1.00 0.00 C ATOM 0 H THR A 71 -4.140 12.415 5.040 1.00 0.00 H new ATOM 0 HA THR A 71 -6.478 13.562 6.391 1.00 0.00 H new ATOM 0 HB THR A 71 -5.314 15.399 5.140 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.242 16.031 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.370 15.357 2.668 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.337 14.067 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.963 13.680 2.719 1.00 0.00 H new ATOM 707 N THR A 72 -7.960 12.418 4.508 1.00 0.00 N ATOM 708 CA THR A 72 -8.759 11.409 3.841 1.00 0.00 C ATOM 709 C THR A 72 -9.743 12.050 2.874 1.00 0.00 C ATOM 710 O THR A 72 -10.256 13.144 3.119 1.00 0.00 O ATOM 711 CB THR A 72 -9.541 10.555 4.859 1.00 0.00 C ATOM 712 OG1 THR A 72 -10.249 11.405 5.771 1.00 0.00 O ATOM 713 CG2 THR A 72 -8.610 9.643 5.636 1.00 0.00 C ATOM 0 H THR A 72 -8.484 13.241 4.806 1.00 0.00 H new ATOM 0 HA THR A 72 -8.072 10.767 3.289 1.00 0.00 H new ATOM 0 HB THR A 72 -10.250 9.938 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.744 10.855 6.413 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.188 9.053 6.347 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.094 8.976 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.878 10.244 6.175 1.00 0.00 H new ATOM 721 N THR A 73 -9.978 11.373 1.766 1.00 0.00 N ATOM 722 CA THR A 73 -11.002 11.771 0.825 1.00 0.00 C ATOM 723 C THR A 73 -12.325 11.122 1.224 1.00 0.00 C ATOM 724 O THR A 73 -12.367 10.363 2.195 1.00 0.00 O ATOM 725 CB THR A 73 -10.616 11.396 -0.620 1.00 0.00 C ATOM 726 OG1 THR A 73 -10.276 10.010 -0.692 1.00 0.00 O ATOM 727 CG2 THR A 73 -9.438 12.232 -1.102 1.00 0.00 C ATOM 0 H THR A 73 -9.465 10.534 1.495 1.00 0.00 H new ATOM 0 HA THR A 73 -11.107 12.856 0.854 1.00 0.00 H new ATOM 0 HB THR A 73 -11.474 11.596 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.034 9.780 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.185 11.949 -2.124 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.706 13.288 -1.074 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.579 12.058 -0.454 1.00 0.00 H new ATOM 735 N ARG A 74 -13.392 11.414 0.490 1.00 0.00 N ATOM 736 CA ARG A 74 -14.743 11.004 0.883 1.00 0.00 C ATOM 737 C ARG A 74 -14.846 9.500 1.161 1.00 0.00 C ATOM 738 O ARG A 74 -15.476 9.093 2.136 1.00 0.00 O ATOM 739 CB ARG A 74 -15.745 11.402 -0.206 1.00 0.00 C ATOM 740 CG ARG A 74 -17.157 10.889 0.039 1.00 0.00 C ATOM 741 CD ARG A 74 -18.119 11.343 -1.050 1.00 0.00 C ATOM 742 NE ARG A 74 -19.487 10.899 -0.791 1.00 0.00 N ATOM 743 CZ ARG A 74 -20.457 10.885 -1.707 1.00 0.00 C ATOM 744 NH1 ARG A 74 -20.218 11.298 -2.945 1.00 0.00 N ATOM 745 NH2 ARG A 74 -21.671 10.459 -1.383 1.00 0.00 N ATOM 0 H ARG A 74 -13.351 11.936 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.977 11.520 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.772 12.489 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.393 11.024 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.146 9.800 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.510 11.244 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -18.098 12.430 -1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.787 10.953 -2.012 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.715 10.579 0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.288 11.629 -3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.964 11.285 -3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.863 10.142 -0.433 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.412 10.449 -2.084 1.00 0.00 H new ATOM 759 N TYR A 75 -14.219 8.678 0.335 1.00 0.00 N ATOM 760 CA TYR A 75 -14.324 7.232 0.494 1.00 0.00 C ATOM 761 C TYR A 75 -13.066 6.638 1.122 1.00 0.00 C ATOM 762 O TYR A 75 -12.760 5.466 0.922 1.00 0.00 O ATOM 763 CB TYR A 75 -14.611 6.565 -0.850 1.00 0.00 C ATOM 764 CG TYR A 75 -15.953 6.945 -1.431 1.00 0.00 C ATOM 765 CD1 TYR A 75 -16.060 7.911 -2.420 1.00 0.00 C ATOM 766 CD2 TYR A 75 -17.115 6.337 -0.979 1.00 0.00 C ATOM 767 CE1 TYR A 75 -17.288 8.264 -2.942 1.00 0.00 C ATOM 768 CE2 TYR A 75 -18.347 6.682 -1.497 1.00 0.00 C ATOM 769 CZ TYR A 75 -18.429 7.644 -2.477 1.00 0.00 C ATOM 770 OH TYR A 75 -19.658 7.990 -2.994 1.00 0.00 O ATOM 0 H TYR A 75 -13.637 8.981 -0.446 1.00 0.00 H new ATOM 0 HA TYR A 75 -15.155 7.038 1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.827 6.836 -1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.569 5.483 -0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.168 8.395 -2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -17.055 5.582 -0.209 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -17.355 9.021 -3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -19.242 6.199 -1.135 1.00 0.00 H new ATOM 0 HH TYR A 75 -20.357 7.459 -2.559 1.00 0.00 H new ATOM 780 N VAL A 76 -12.338 7.450 1.873 1.00 0.00 N ATOM 781 CA VAL A 76 -11.186 6.967 2.618 1.00 0.00 C ATOM 782 C VAL A 76 -11.424 7.141 4.115 1.00 0.00 C ATOM 783 O VAL A 76 -11.843 8.204 4.571 1.00 0.00 O ATOM 784 CB VAL A 76 -9.887 7.686 2.202 1.00 0.00 C ATOM 785 CG1 VAL A 76 -8.718 7.241 3.067 1.00 0.00 C ATOM 786 CG2 VAL A 76 -9.585 7.418 0.737 1.00 0.00 C ATOM 0 H VAL A 76 -12.525 8.447 1.983 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.064 5.909 2.387 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.030 8.757 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.814 7.763 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.928 7.475 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.573 6.166 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.665 7.931 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.465 6.346 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.408 7.784 0.123 1.00 0.00 H new ATOM 796 N SER A 77 -11.161 6.080 4.865 1.00 0.00 N ATOM 797 CA SER A 77 -11.482 6.041 6.283 1.00 0.00 C ATOM 798 C SER A 77 -10.405 6.722 7.126 1.00 0.00 C ATOM 799 O SER A 77 -10.706 7.611 7.923 1.00 0.00 O ATOM 800 CB SER A 77 -11.668 4.585 6.727 1.00 0.00 C ATOM 801 OG SER A 77 -12.620 3.930 5.906 1.00 0.00 O ATOM 0 H SER A 77 -10.723 5.230 4.511 1.00 0.00 H new ATOM 0 HA SER A 77 -12.410 6.591 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.714 4.060 6.677 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.995 4.555 7.766 1.00 0.00 H new ATOM 0 HG SER A 77 -13.088 3.247 6.430 1.00 0.00 H new ATOM 807 N ALA A 78 -9.153 6.323 6.936 1.00 0.00 N ATOM 808 CA ALA A 78 -8.063 6.833 7.753 1.00 0.00 C ATOM 809 C ALA A 78 -6.725 6.598 7.077 1.00 0.00 C ATOM 810 O ALA A 78 -6.507 5.546 6.477 1.00 0.00 O ATOM 811 CB ALA A 78 -8.073 6.172 9.123 1.00 0.00 C ATOM 0 H ALA A 78 -8.870 5.649 6.225 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.207 7.907 7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.251 6.564 9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.019 6.383 9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.956 5.094 9.008 1.00 0.00 H new ATOM 817 N MET A 79 -5.839 7.580 7.173 1.00 0.00 N ATOM 818 CA MET A 79 -4.507 7.475 6.596 1.00 0.00 C ATOM 819 C MET A 79 -3.484 8.112 7.524 1.00 0.00 C ATOM 820 O MET A 79 -3.750 9.141 8.140 1.00 0.00 O ATOM 821 CB MET A 79 -4.434 8.168 5.227 1.00 0.00 C ATOM 822 CG MET A 79 -5.368 7.588 4.175 1.00 0.00 C ATOM 823 SD MET A 79 -5.236 8.417 2.579 1.00 0.00 S ATOM 824 CE MET A 79 -3.558 8.000 2.108 1.00 0.00 C ATOM 0 H MET A 79 -6.021 8.464 7.649 1.00 0.00 H new ATOM 0 HA MET A 79 -4.288 6.415 6.466 1.00 0.00 H new ATOM 0 HB2 MET A 79 -4.665 9.225 5.356 1.00 0.00 H new ATOM 0 HB3 MET A 79 -3.410 8.108 4.858 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.148 6.528 4.047 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.396 7.659 4.531 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.431 8.156 1.037 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.859 8.635 2.653 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.362 6.955 2.348 1.00 0.00 H new ATOM 834 N SER A 80 -2.331 7.487 7.628 1.00 0.00 N ATOM 835 CA SER A 80 -1.220 8.040 8.382 1.00 0.00 C ATOM 836 C SER A 80 0.040 7.984 7.530 1.00 0.00 C ATOM 837 O SER A 80 0.291 6.985 6.861 1.00 0.00 O ATOM 838 CB SER A 80 -1.034 7.262 9.691 1.00 0.00 C ATOM 839 OG SER A 80 -2.202 7.342 10.496 1.00 0.00 O ATOM 0 H SER A 80 -2.135 6.584 7.195 1.00 0.00 H new ATOM 0 HA SER A 80 -1.427 9.080 8.636 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.810 6.218 9.470 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.181 7.662 10.239 1.00 0.00 H new ATOM 0 HG SER A 80 -2.063 6.838 11.325 1.00 0.00 H new ATOM 845 N VAL A 81 0.822 9.055 7.543 1.00 0.00 N ATOM 846 CA VAL A 81 1.978 9.165 6.667 1.00 0.00 C ATOM 847 C VAL A 81 3.247 9.246 7.496 1.00 0.00 C ATOM 848 O VAL A 81 3.424 10.184 8.274 1.00 0.00 O ATOM 849 CB VAL A 81 1.893 10.421 5.768 1.00 0.00 C ATOM 850 CG1 VAL A 81 3.032 10.452 4.754 1.00 0.00 C ATOM 851 CG2 VAL A 81 0.546 10.494 5.068 1.00 0.00 C ATOM 0 H VAL A 81 0.676 9.860 8.152 1.00 0.00 H new ATOM 0 HA VAL A 81 1.993 8.280 6.031 1.00 0.00 H new ATOM 0 HB VAL A 81 1.993 11.297 6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.945 11.346 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.987 10.465 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.979 9.567 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.509 11.385 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.410 9.608 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.249 10.541 5.812 1.00 0.00 H new ATOM 861 N ALA A 82 4.133 8.281 7.325 1.00 0.00 N ATOM 862 CA ALA A 82 5.361 8.246 8.089 1.00 0.00 C ATOM 863 C ALA A 82 6.525 7.854 7.191 1.00 0.00 C ATOM 864 O ALA A 82 6.644 6.704 6.770 1.00 0.00 O ATOM 865 CB ALA A 82 5.226 7.271 9.244 1.00 0.00 C ATOM 0 H ALA A 82 4.022 7.513 6.663 1.00 0.00 H new ATOM 0 HA ALA A 82 5.557 9.239 8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.155 7.251 9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.409 7.587 9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.017 6.274 8.856 1.00 0.00 H new ATOM 871 N LYS A 83 7.381 8.831 6.939 1.00 0.00 N ATOM 872 CA LYS A 83 8.553 8.658 6.077 1.00 0.00 C ATOM 873 C LYS A 83 8.139 8.001 4.751 1.00 0.00 C ATOM 874 O LYS A 83 8.728 7.008 4.324 1.00 0.00 O ATOM 875 CB LYS A 83 9.618 7.802 6.775 1.00 0.00 C ATOM 876 CG LYS A 83 9.845 8.168 8.235 1.00 0.00 C ATOM 877 CD LYS A 83 10.375 9.582 8.399 1.00 0.00 C ATOM 878 CE LYS A 83 10.445 9.977 9.865 1.00 0.00 C ATOM 879 NZ LYS A 83 9.117 9.884 10.531 1.00 0.00 N ATOM 0 H LYS A 83 7.288 9.771 7.324 1.00 0.00 H new ATOM 0 HA LYS A 83 8.978 9.641 5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.324 6.754 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.560 7.900 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.908 8.068 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.550 7.464 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.367 9.655 7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.731 10.279 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.155 9.331 10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.822 10.996 9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.042 10.621 11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.365 10.018 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.015 8.948 10.972 1.00 0.00 H new ATOM 893 N GLY A 84 7.090 8.540 4.141 1.00 0.00 N ATOM 894 CA GLY A 84 6.569 8.025 2.882 1.00 0.00 C ATOM 895 C GLY A 84 5.673 6.808 3.050 1.00 0.00 C ATOM 896 O GLY A 84 4.819 6.542 2.207 1.00 0.00 O ATOM 0 H GLY A 84 6.578 9.344 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.008 8.813 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.404 7.765 2.231 1.00 0.00 H new ATOM 900 N VAL A 85 5.858 6.083 4.141 1.00 0.00 N ATOM 901 CA VAL A 85 5.031 4.921 4.438 1.00 0.00 C ATOM 902 C VAL A 85 3.658 5.376 4.896 1.00 0.00 C ATOM 903 O VAL A 85 3.552 6.225 5.776 1.00 0.00 O ATOM 904 CB VAL A 85 5.664 4.035 5.528 1.00 0.00 C ATOM 905 CG1 VAL A 85 4.846 2.773 5.748 1.00 0.00 C ATOM 906 CG2 VAL A 85 7.096 3.689 5.165 1.00 0.00 C ATOM 0 H VAL A 85 6.576 6.278 4.839 1.00 0.00 H new ATOM 0 HA VAL A 85 4.948 4.330 3.526 1.00 0.00 H new ATOM 0 HB VAL A 85 5.670 4.598 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.315 2.166 6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.837 3.043 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.798 2.204 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.528 3.063 5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.111 3.150 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.679 4.605 5.071 1.00 0.00 H new ATOM 916 N VAL A 86 2.602 4.821 4.325 1.00 0.00 N ATOM 917 CA VAL A 86 1.264 5.275 4.646 1.00 0.00 C ATOM 918 C VAL A 86 0.383 4.093 5.044 1.00 0.00 C ATOM 919 O VAL A 86 0.217 3.130 4.292 1.00 0.00 O ATOM 920 CB VAL A 86 0.610 6.073 3.488 1.00 0.00 C ATOM 921 CG1 VAL A 86 1.401 7.338 3.195 1.00 0.00 C ATOM 922 CG2 VAL A 86 0.481 5.236 2.229 1.00 0.00 C ATOM 0 H VAL A 86 2.646 4.063 3.644 1.00 0.00 H new ATOM 0 HA VAL A 86 1.354 5.959 5.490 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.394 6.347 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.926 7.884 2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.426 7.966 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.419 7.073 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.018 5.832 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.470 4.912 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.138 4.363 2.435 1.00 0.00 H new ATOM 932 N SER A 87 -0.123 4.154 6.257 1.00 0.00 N ATOM 933 CA SER A 87 -1.001 3.117 6.763 1.00 0.00 C ATOM 934 C SER A 87 -2.447 3.589 6.765 1.00 0.00 C ATOM 935 O SER A 87 -2.760 4.686 7.230 1.00 0.00 O ATOM 936 CB SER A 87 -0.570 2.706 8.175 1.00 0.00 C ATOM 937 OG SER A 87 -1.376 1.651 8.679 1.00 0.00 O ATOM 0 H SER A 87 0.058 4.913 6.914 1.00 0.00 H new ATOM 0 HA SER A 87 -0.928 2.250 6.106 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.474 2.393 8.161 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.636 3.566 8.841 1.00 0.00 H new ATOM 0 HG SER A 87 -1.075 1.411 9.580 1.00 0.00 H new ATOM 943 N LEU A 88 -3.316 2.753 6.219 1.00 0.00 N ATOM 944 CA LEU A 88 -4.740 3.033 6.172 1.00 0.00 C ATOM 945 C LEU A 88 -5.465 2.013 7.032 1.00 0.00 C ATOM 946 O LEU A 88 -5.167 0.825 6.965 1.00 0.00 O ATOM 947 CB LEU A 88 -5.267 2.976 4.733 1.00 0.00 C ATOM 948 CG LEU A 88 -4.577 3.916 3.736 1.00 0.00 C ATOM 949 CD1 LEU A 88 -3.324 3.276 3.150 1.00 0.00 C ATOM 950 CD2 LEU A 88 -5.539 4.319 2.632 1.00 0.00 C ATOM 0 H LEU A 88 -3.053 1.863 5.797 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.918 4.039 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.168 1.953 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.332 3.208 4.746 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.272 4.813 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.857 3.966 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.623 3.047 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.594 2.357 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.033 4.986 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.879 3.429 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.397 4.832 3.066 1.00 0.00 H new ATOM 962 N THR A 89 -6.402 2.464 7.843 1.00 0.00 N ATOM 963 CA THR A 89 -7.042 1.577 8.795 1.00 0.00 C ATOM 964 C THR A 89 -8.554 1.508 8.583 1.00 0.00 C ATOM 965 O THR A 89 -9.199 2.526 8.322 1.00 0.00 O ATOM 966 CB THR A 89 -6.741 2.030 10.236 1.00 0.00 C ATOM 967 OG1 THR A 89 -5.347 2.347 10.354 1.00 0.00 O ATOM 968 CG2 THR A 89 -7.094 0.940 11.237 1.00 0.00 C ATOM 0 H THR A 89 -6.734 3.428 7.863 1.00 0.00 H new ATOM 0 HA THR A 89 -6.633 0.580 8.632 1.00 0.00 H new ATOM 0 HB THR A 89 -7.347 2.909 10.454 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.154 2.637 11.270 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.871 1.287 12.246 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.156 0.705 11.160 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.508 0.046 11.023 1.00 0.00 H new ATOM 976 N GLY A 90 -9.090 0.292 8.700 1.00 0.00 N ATOM 977 CA GLY A 90 -10.528 0.062 8.605 1.00 0.00 C ATOM 978 C GLY A 90 -11.175 0.721 7.408 1.00 0.00 C ATOM 979 O GLY A 90 -12.220 1.357 7.540 1.00 0.00 O ATOM 0 H GLY A 90 -8.543 -0.553 8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.712 -1.011 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.006 0.430 9.513 1.00 0.00 H new ATOM 983 N GLN A 91 -10.565 0.572 6.248 1.00 0.00 N ATOM 984 CA GLN A 91 -11.043 1.249 5.051 1.00 0.00 C ATOM 985 C GLN A 91 -12.278 0.550 4.486 1.00 0.00 C ATOM 986 O GLN A 91 -12.235 -0.638 4.190 1.00 0.00 O ATOM 987 CB GLN A 91 -9.921 1.271 4.015 1.00 0.00 C ATOM 988 CG GLN A 91 -10.275 1.968 2.717 1.00 0.00 C ATOM 989 CD GLN A 91 -10.646 3.421 2.919 1.00 0.00 C ATOM 990 OE1 GLN A 91 -9.780 4.289 2.969 1.00 0.00 O ATOM 991 NE2 GLN A 91 -11.934 3.697 3.022 1.00 0.00 N ATOM 0 H GLN A 91 -9.739 -0.010 6.106 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.329 2.270 5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.051 1.763 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.629 0.245 3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.429 1.905 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.107 1.447 2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.622 2.945 2.975 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.240 4.662 3.148 1.00 0.00 H new ATOM 1000 N GLU A 92 -13.359 1.305 4.307 1.00 0.00 N ATOM 1001 CA GLU A 92 -14.609 0.774 3.754 1.00 0.00 C ATOM 1002 C GLU A 92 -15.049 -0.500 4.484 1.00 0.00 C ATOM 1003 O GLU A 92 -15.185 -0.510 5.707 1.00 0.00 O ATOM 1004 CB GLU A 92 -14.463 0.504 2.252 1.00 0.00 C ATOM 1005 CG GLU A 92 -14.282 1.761 1.420 1.00 0.00 C ATOM 1006 CD GLU A 92 -15.398 2.761 1.639 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -16.434 2.662 0.946 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -15.257 3.636 2.517 1.00 0.00 O ATOM 0 H GLU A 92 -13.397 2.298 4.539 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.382 1.529 3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.608 -0.153 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.346 -0.030 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.328 2.225 1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -14.240 1.492 0.364 1.00 0.00 H new ATOM 1015 N SER A 93 -15.259 -1.570 3.723 1.00 0.00 N ATOM 1016 CA SER A 93 -15.673 -2.858 4.269 1.00 0.00 C ATOM 1017 C SER A 93 -14.539 -3.524 5.046 1.00 0.00 C ATOM 1018 O SER A 93 -14.759 -4.470 5.804 1.00 0.00 O ATOM 1019 CB SER A 93 -16.099 -3.770 3.121 1.00 0.00 C ATOM 1020 OG SER A 93 -16.897 -3.063 2.188 1.00 0.00 O ATOM 0 H SER A 93 -15.147 -1.568 2.709 1.00 0.00 H new ATOM 0 HA SER A 93 -16.503 -2.691 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.217 -4.171 2.622 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.657 -4.620 3.513 1.00 0.00 H new ATOM 0 HG SER A 93 -17.413 -3.699 1.651 1.00 0.00 H new ATOM 1026 N LEU A 94 -13.333 -3.006 4.868 1.00 0.00 N ATOM 1027 CA LEU A 94 -12.128 -3.622 5.399 1.00 0.00 C ATOM 1028 C LEU A 94 -11.898 -3.187 6.845 1.00 0.00 C ATOM 1029 O LEU A 94 -10.776 -2.905 7.252 1.00 0.00 O ATOM 1030 CB LEU A 94 -10.923 -3.259 4.527 1.00 0.00 C ATOM 1031 CG LEU A 94 -11.091 -3.529 3.026 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -9.870 -3.052 2.260 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -11.339 -5.008 2.760 1.00 0.00 C ATOM 0 H LEU A 94 -13.163 -2.144 4.350 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.253 -4.705 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.701 -2.201 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.057 -3.816 4.884 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.961 -2.972 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.006 -3.251 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.739 -1.981 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.987 -3.581 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.454 -5.171 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.494 -5.590 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.247 -5.323 3.275 1.00 0.00 H new ATOM 1045 N ASN A 95 -12.984 -3.080 7.595 1.00 0.00 N ATOM 1046 CA ASN A 95 -12.920 -2.762 9.019 1.00 0.00 C ATOM 1047 C ASN A 95 -11.983 -3.730 9.747 1.00 0.00 C ATOM 1048 O ASN A 95 -12.071 -4.945 9.568 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.323 -2.825 9.628 1.00 0.00 C ATOM 1050 CG ASN A 95 -14.346 -2.484 11.111 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -13.522 -1.705 11.599 1.00 0.00 O ATOM 1052 ND2 ASN A 95 -15.289 -3.063 11.837 1.00 0.00 N ATOM 0 H ASN A 95 -13.931 -3.210 7.239 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.525 -1.753 9.134 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -14.976 -2.136 9.093 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.730 -3.826 9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -15.353 -2.871 12.837 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -15.952 -3.701 11.397 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.094 -3.181 10.568 1.00 0.00 N ATOM 1060 CA GLY A 96 -10.104 -3.992 11.259 1.00 0.00 C ATOM 1061 C GLY A 96 -8.844 -4.196 10.442 1.00 0.00 C ATOM 1062 O GLY A 96 -7.778 -4.494 10.986 1.00 0.00 O ATOM 0 H GLY A 96 -11.040 -2.182 10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.846 -3.516 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.538 -4.963 11.499 1.00 0.00 H new ATOM 1066 N LEU A 97 -8.967 -4.028 9.136 1.00 0.00 N ATOM 1067 CA LEU A 97 -7.867 -4.261 8.223 1.00 0.00 C ATOM 1068 C LEU A 97 -7.013 -3.009 8.101 1.00 0.00 C ATOM 1069 O LEU A 97 -7.527 -1.907 7.902 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.428 -4.685 6.858 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.412 -5.098 5.786 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -8.083 -5.998 4.761 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -6.836 -3.881 5.085 1.00 0.00 C ATOM 0 H LEU A 97 -9.830 -3.727 8.683 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.232 -5.060 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.111 -5.519 7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.020 -3.859 6.464 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.600 -5.635 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.357 -6.289 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.467 -6.890 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.906 -5.462 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.118 -4.202 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.640 -3.322 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.335 -3.244 5.814 1.00 0.00 H new ATOM 1085 N SER A 98 -5.714 -3.183 8.239 1.00 0.00 N ATOM 1086 CA SER A 98 -4.779 -2.089 8.081 1.00 0.00 C ATOM 1087 C SER A 98 -3.912 -2.321 6.852 1.00 0.00 C ATOM 1088 O SER A 98 -3.228 -3.338 6.747 1.00 0.00 O ATOM 1089 CB SER A 98 -3.909 -1.957 9.330 1.00 0.00 C ATOM 1090 OG SER A 98 -4.708 -1.871 10.500 1.00 0.00 O ATOM 0 H SER A 98 -5.280 -4.079 8.462 1.00 0.00 H new ATOM 0 HA SER A 98 -5.336 -1.162 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.241 -2.815 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.281 -1.070 9.248 1.00 0.00 H new ATOM 0 HG SER A 98 -4.129 -1.789 11.286 1.00 0.00 H new ATOM 1096 N VAL A 99 -3.963 -1.391 5.916 1.00 0.00 N ATOM 1097 CA VAL A 99 -3.133 -1.465 4.727 1.00 0.00 C ATOM 1098 C VAL A 99 -1.850 -0.700 4.989 1.00 0.00 C ATOM 1099 O VAL A 99 -1.899 0.440 5.456 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.830 -0.854 3.491 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -3.004 -1.080 2.237 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -5.231 -1.414 3.315 1.00 0.00 C ATOM 0 H VAL A 99 -4.572 -0.574 5.956 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.938 -2.516 4.515 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.916 0.220 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.515 -0.641 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.027 -0.612 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.876 -2.150 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.695 -0.964 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.177 -2.495 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.828 -1.185 4.198 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.709 -1.307 4.716 1.00 0.00 N ATOM 1113 CA VAL A 100 0.558 -0.642 4.947 1.00 0.00 C ATOM 1114 C VAL A 100 1.304 -0.489 3.632 1.00 0.00 C ATOM 1115 O VAL A 100 1.827 -1.459 3.084 1.00 0.00 O ATOM 1116 CB VAL A 100 1.438 -1.412 5.958 1.00 0.00 C ATOM 1117 CG1 VAL A 100 2.740 -0.666 6.219 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.686 -1.638 7.260 1.00 0.00 C ATOM 0 H VAL A 100 -0.635 -2.251 4.337 1.00 0.00 H new ATOM 0 HA VAL A 100 0.345 0.339 5.372 1.00 0.00 H new ATOM 0 HB VAL A 100 1.680 -2.383 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.343 -1.226 6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.291 -0.558 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.519 0.321 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.323 -2.182 7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.411 -0.676 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.215 -2.219 7.064 1.00 0.00 H new ATOM 1128 N MET A 101 1.318 0.723 3.112 1.00 0.00 N ATOM 1129 CA MET A 101 2.016 1.014 1.873 1.00 0.00 C ATOM 1130 C MET A 101 3.412 1.532 2.186 1.00 0.00 C ATOM 1131 O MET A 101 3.565 2.629 2.721 1.00 0.00 O ATOM 1132 CB MET A 101 1.236 2.054 1.070 1.00 0.00 C ATOM 1133 CG MET A 101 1.903 2.459 -0.230 1.00 0.00 C ATOM 1134 SD MET A 101 1.691 1.241 -1.542 1.00 0.00 S ATOM 1135 CE MET A 101 -0.092 1.269 -1.747 1.00 0.00 C ATOM 0 H MET A 101 0.851 1.527 3.531 1.00 0.00 H new ATOM 0 HA MET A 101 2.098 0.103 1.280 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.245 1.658 0.850 1.00 0.00 H new ATOM 0 HB3 MET A 101 1.095 2.942 1.686 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.494 3.414 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.968 2.612 -0.053 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.339 1.137 -2.800 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.538 0.462 -1.165 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.483 2.225 -1.400 1.00 0.00 H new ATOM 1145 N THR A 102 4.422 0.737 1.872 1.00 0.00 N ATOM 1146 CA THR A 102 5.798 1.118 2.131 1.00 0.00 C ATOM 1147 C THR A 102 6.554 1.359 0.824 1.00 0.00 C ATOM 1148 O THR A 102 7.027 0.419 0.183 1.00 0.00 O ATOM 1149 CB THR A 102 6.521 0.037 2.959 1.00 0.00 C ATOM 1150 OG1 THR A 102 5.770 -0.244 4.148 1.00 0.00 O ATOM 1151 CG2 THR A 102 7.926 0.480 3.339 1.00 0.00 C ATOM 0 H THR A 102 4.313 -0.179 1.436 1.00 0.00 H new ATOM 0 HA THR A 102 5.781 2.046 2.702 1.00 0.00 H new ATOM 0 HB THR A 102 6.599 -0.862 2.347 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.231 -0.933 4.671 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.409 -0.304 3.922 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.505 0.669 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.872 1.393 3.933 1.00 0.00 H new ATOM 1159 N PRO A 103 6.638 2.626 0.394 1.00 0.00 N ATOM 1160 CA PRO A 103 7.401 3.015 -0.793 1.00 0.00 C ATOM 1161 C PRO A 103 8.901 2.834 -0.595 1.00 0.00 C ATOM 1162 O PRO A 103 9.384 2.729 0.535 1.00 0.00 O ATOM 1163 CB PRO A 103 7.075 4.504 -0.981 1.00 0.00 C ATOM 1164 CG PRO A 103 5.899 4.773 -0.099 1.00 0.00 C ATOM 1165 CD PRO A 103 5.976 3.774 1.019 1.00 0.00 C ATOM 0 HA PRO A 103 7.137 2.400 -1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.924 5.129 -0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.843 4.726 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.927 5.792 0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 103 4.966 4.667 -0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.548 4.158 1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 103 4.987 3.513 1.395 1.00 0.00 H new ATOM 1173 N GLY A 104 9.625 2.774 -1.701 1.00 0.00 N ATOM 1174 CA GLY A 104 11.068 2.703 -1.643 1.00 0.00 C ATOM 1175 C GLY A 104 11.556 1.283 -1.489 1.00 0.00 C ATOM 1176 O GLY A 104 12.670 1.045 -1.015 1.00 0.00 O ATOM 0 H GLY A 104 9.235 2.773 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.489 3.135 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.428 3.303 -0.807 1.00 0.00 H new ATOM 1291 N GLY A 113 9.217 1.860 -6.231 1.00 0.00 N ATOM 1292 CA GLY A 113 8.749 0.542 -5.857 1.00 0.00 C ATOM 1293 C GLY A 113 7.958 0.600 -4.571 1.00 0.00 C ATOM 1294 O GLY A 113 8.392 1.235 -3.605 1.00 0.00 O ATOM 0 HA2 GLY A 113 8.128 0.132 -6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.599 -0.130 -5.737 1.00 0.00 H new ATOM 1298 N TRP A 114 6.794 -0.030 -4.547 1.00 0.00 N ATOM 1299 CA TRP A 114 5.920 0.050 -3.389 1.00 0.00 C ATOM 1300 C TRP A 114 5.637 -1.325 -2.803 1.00 0.00 C ATOM 1301 O TRP A 114 5.141 -2.220 -3.491 1.00 0.00 O ATOM 1302 CB TRP A 114 4.603 0.741 -3.761 1.00 0.00 C ATOM 1303 CG TRP A 114 4.726 2.229 -3.901 1.00 0.00 C ATOM 1304 CD1 TRP A 114 4.375 3.163 -2.971 1.00 0.00 C ATOM 1305 CD2 TRP A 114 5.231 2.959 -5.029 1.00 0.00 C ATOM 1306 NE1 TRP A 114 4.638 4.425 -3.445 1.00 0.00 N ATOM 1307 CE2 TRP A 114 5.164 4.326 -4.703 1.00 0.00 C ATOM 1308 CE3 TRP A 114 5.737 2.590 -6.278 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 5.586 5.322 -5.582 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 6.154 3.579 -7.147 1.00 0.00 C ATOM 1311 CH2 TRP A 114 6.077 4.930 -6.796 1.00 0.00 C ATOM 0 H TRP A 114 6.434 -0.600 -5.313 1.00 0.00 H new ATOM 0 HA TRP A 114 6.434 0.639 -2.630 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.236 0.325 -4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 114 3.856 0.516 -2.999 1.00 0.00 H new ATOM 0 HD1 TRP A 114 3.952 2.942 -2.002 1.00 0.00 H new ATOM 0 HE1 TRP A 114 4.468 5.295 -2.940 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.801 1.549 -6.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 5.527 6.366 -5.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 6.547 3.304 -8.115 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.412 5.679 -7.498 1.00 0.00 H new ATOM 1322 N ALA A 115 5.950 -1.486 -1.527 1.00 0.00 N ATOM 1323 CA ALA A 115 5.620 -2.702 -0.815 1.00 0.00 C ATOM 1324 C ALA A 115 4.237 -2.565 -0.203 1.00 0.00 C ATOM 1325 O ALA A 115 4.011 -1.736 0.679 1.00 0.00 O ATOM 1326 CB ALA A 115 6.657 -3.007 0.254 1.00 0.00 C ATOM 0 H ALA A 115 6.434 -0.785 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 115 5.621 -3.536 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.385 -3.926 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.635 -3.130 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.696 -2.184 0.968 1.00 0.00 H new ATOM 1332 N ARG A 116 3.315 -3.364 -0.700 1.00 0.00 N ATOM 1333 CA ARG A 116 1.922 -3.276 -0.304 1.00 0.00 C ATOM 1334 C ARG A 116 1.526 -4.485 0.530 1.00 0.00 C ATOM 1335 O ARG A 116 1.817 -5.621 0.160 1.00 0.00 O ATOM 1336 CB ARG A 116 1.054 -3.185 -1.556 1.00 0.00 C ATOM 1337 CG ARG A 116 1.301 -1.929 -2.373 1.00 0.00 C ATOM 1338 CD ARG A 116 0.759 -2.057 -3.787 1.00 0.00 C ATOM 1339 NE ARG A 116 1.596 -2.920 -4.618 1.00 0.00 N ATOM 1340 CZ ARG A 116 1.382 -3.148 -5.913 1.00 0.00 C ATOM 1341 NH1 ARG A 116 0.350 -2.587 -6.530 1.00 0.00 N ATOM 1342 NH2 ARG A 116 2.211 -3.920 -6.601 1.00 0.00 N ATOM 0 H ARG A 116 3.508 -4.091 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 116 1.775 -2.385 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.239 -4.058 -2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 116 0.004 -3.219 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.832 -1.077 -1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 116 2.371 -1.726 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.254 -2.459 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 116 0.694 -1.068 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 116 2.395 -3.377 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.284 -1.978 -6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 116 0.191 -2.765 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 116 3.017 -4.342 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 116 2.043 -4.092 -7.592 1.00 0.00 H new ATOM 1356 N ASN A 117 0.882 -4.239 1.661 1.00 0.00 N ATOM 1357 CA ASN A 117 0.472 -5.320 2.544 1.00 0.00 C ATOM 1358 C ASN A 117 -0.865 -5.003 3.205 1.00 0.00 C ATOM 1359 O ASN A 117 -1.070 -3.897 3.706 1.00 0.00 O ATOM 1360 CB ASN A 117 1.533 -5.558 3.624 1.00 0.00 C ATOM 1361 CG ASN A 117 1.331 -6.865 4.376 1.00 0.00 C ATOM 1362 OD1 ASN A 117 0.835 -7.885 3.686 1.00 0.00 O flip ATOM 1363 ND2 ASN A 117 1.645 -6.968 5.562 1.00 0.00 N flip ATOM 0 H ASN A 117 0.633 -3.305 1.988 1.00 0.00 H new ATOM 0 HA ASN A 117 0.362 -6.222 1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.520 -5.560 3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.514 -4.730 4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 117 2.023 -6.163 6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.527 -7.858 6.045 1.00 0.00 H new ATOM 1370 N CYS A 118 -1.772 -5.968 3.184 1.00 0.00 N ATOM 1371 CA CYS A 118 -3.050 -5.836 3.871 1.00 0.00 C ATOM 1372 C CYS A 118 -3.045 -6.675 5.142 1.00 0.00 C ATOM 1373 O CYS A 118 -2.937 -7.901 5.081 1.00 0.00 O ATOM 1374 CB CYS A 118 -4.195 -6.286 2.960 1.00 0.00 C ATOM 1375 SG CYS A 118 -4.360 -5.315 1.428 1.00 0.00 S ATOM 0 H CYS A 118 -1.647 -6.855 2.697 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.198 -4.788 4.131 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -4.045 -7.333 2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.131 -6.227 3.516 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.157 -6.025 6.291 1.00 0.00 N ATOM 1381 CA ASN A 119 -3.138 -6.737 7.560 1.00 0.00 C ATOM 1382 C ASN A 119 -4.534 -6.811 8.159 1.00 0.00 C ATOM 1383 O ASN A 119 -5.048 -5.826 8.690 1.00 0.00 O ATOM 1384 CB ASN A 119 -2.189 -6.050 8.548 1.00 0.00 C ATOM 1385 CG ASN A 119 -0.740 -6.092 8.100 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -0.267 -5.201 7.392 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -0.019 -7.123 8.513 1.00 0.00 N ATOM 0 H ASN A 119 -3.261 -5.014 6.371 1.00 0.00 H new ATOM 0 HA ASN A 119 -2.783 -7.750 7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.495 -5.012 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.277 -6.530 9.523 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.962 -7.199 8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.445 -7.842 9.098 1.00 0.00 H new ATOM 1394 N ILE A 120 -5.144 -7.979 8.052 1.00 0.00 N ATOM 1395 CA ILE A 120 -6.433 -8.242 8.667 1.00 0.00 C ATOM 1396 C ILE A 120 -6.414 -9.626 9.335 1.00 0.00 C ATOM 1397 O ILE A 120 -6.441 -10.656 8.662 1.00 0.00 O ATOM 1398 CB ILE A 120 -7.573 -8.127 7.629 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -8.929 -8.467 8.245 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -7.303 -9.002 6.414 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -9.424 -7.457 9.261 1.00 0.00 C ATOM 0 H ILE A 120 -4.760 -8.771 7.537 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.622 -7.492 9.435 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.605 -7.088 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -9.666 -8.553 7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -8.863 -9.444 8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.122 -8.899 5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -6.371 -8.691 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.222 -10.043 6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -10.392 -7.775 9.648 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -8.710 -7.387 10.082 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -9.526 -6.482 8.785 1.00 0.00 H new ATOM 1413 N GLN A 121 -6.336 -9.644 10.657 1.00 0.00 N ATOM 1414 CA GLN A 121 -6.097 -10.885 11.393 1.00 0.00 C ATOM 1415 C GLN A 121 -7.323 -11.798 11.436 1.00 0.00 C ATOM 1416 O GLN A 121 -7.203 -13.014 11.286 1.00 0.00 O ATOM 1417 CB GLN A 121 -5.653 -10.553 12.819 1.00 0.00 C ATOM 1418 CG GLN A 121 -5.380 -11.776 13.682 1.00 0.00 C ATOM 1419 CD GLN A 121 -5.039 -11.415 15.114 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -5.503 -10.403 15.638 1.00 0.00 O ATOM 1421 NE2 GLN A 121 -4.228 -12.237 15.755 1.00 0.00 N ATOM 0 H GLN A 121 -6.434 -8.817 11.245 1.00 0.00 H new ATOM 0 HA GLN A 121 -5.314 -11.428 10.863 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.751 -9.943 12.775 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.424 -9.948 13.297 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -6.256 -12.425 13.674 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -4.557 -12.345 13.249 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -3.865 -13.066 15.284 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -3.965 -12.043 16.721 1.00 0.00 H new ATOM 1430 N SER A 122 -8.499 -11.215 11.624 1.00 0.00 N ATOM 1431 CA SER A 122 -9.696 -12.006 11.892 1.00 0.00 C ATOM 1432 C SER A 122 -10.677 -12.019 10.714 1.00 0.00 C ATOM 1433 O SER A 122 -11.834 -12.411 10.876 1.00 0.00 O ATOM 1434 CB SER A 122 -10.387 -11.475 13.154 1.00 0.00 C ATOM 1435 OG SER A 122 -11.423 -12.341 13.588 1.00 0.00 O ATOM 0 H SER A 122 -8.651 -10.207 11.597 1.00 0.00 H new ATOM 0 HA SER A 122 -9.379 -13.038 12.043 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.652 -11.359 13.950 1.00 0.00 H new ATOM 0 HB3 SER A 122 -10.799 -10.486 12.955 1.00 0.00 H new ATOM 0 HG SER A 122 -11.915 -12.678 12.810 1.00 0.00 H new ATOM 1441 N ASP A 123 -10.228 -11.616 9.533 1.00 0.00 N ATOM 1442 CA ASP A 123 -11.114 -11.565 8.367 1.00 0.00 C ATOM 1443 C ASP A 123 -10.355 -11.854 7.076 1.00 0.00 C ATOM 1444 O ASP A 123 -9.968 -10.933 6.356 1.00 0.00 O ATOM 1445 CB ASP A 123 -11.813 -10.202 8.248 1.00 0.00 C ATOM 1446 CG ASP A 123 -13.004 -10.037 9.171 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -12.906 -9.269 10.149 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -14.056 -10.655 8.911 1.00 0.00 O ATOM 0 H ASP A 123 -9.268 -11.322 9.353 1.00 0.00 H new ATOM 0 HA ASP A 123 -11.868 -12.337 8.516 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.090 -9.415 8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -12.142 -10.063 7.218 1.00 0.00 H new ATOM 1453 N SER A 124 -10.150 -13.133 6.779 1.00 0.00 N ATOM 1454 CA SER A 124 -9.455 -13.539 5.560 1.00 0.00 C ATOM 1455 C SER A 124 -10.199 -13.052 4.312 1.00 0.00 C ATOM 1456 O SER A 124 -9.581 -12.740 3.291 1.00 0.00 O ATOM 1457 CB SER A 124 -9.294 -15.065 5.522 1.00 0.00 C ATOM 1458 OG SER A 124 -8.488 -15.476 4.429 1.00 0.00 O ATOM 0 H SER A 124 -10.456 -13.909 7.367 1.00 0.00 H new ATOM 0 HA SER A 124 -8.467 -13.079 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 124 -8.846 -15.408 6.455 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.275 -15.534 5.448 1.00 0.00 H new ATOM 0 HG SER A 124 -8.404 -16.452 4.434 1.00 0.00 H new ATOM 1464 N ALA A 125 -11.524 -12.964 4.406 1.00 0.00 N ATOM 1465 CA ALA A 125 -12.347 -12.533 3.283 1.00 0.00 C ATOM 1466 C ALA A 125 -12.007 -11.109 2.867 1.00 0.00 C ATOM 1467 O ALA A 125 -11.947 -10.795 1.678 1.00 0.00 O ATOM 1468 CB ALA A 125 -13.820 -12.638 3.634 1.00 0.00 C ATOM 0 H ALA A 125 -12.050 -13.186 5.251 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.136 -13.193 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.421 -12.312 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -14.064 -13.673 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -14.035 -12.004 4.495 1.00 0.00 H new ATOM 1474 N LEU A 126 -11.780 -10.252 3.852 1.00 0.00 N ATOM 1475 CA LEU A 126 -11.415 -8.871 3.590 1.00 0.00 C ATOM 1476 C LEU A 126 -10.031 -8.805 2.965 1.00 0.00 C ATOM 1477 O LEU A 126 -9.746 -7.929 2.146 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.441 -8.052 4.879 1.00 0.00 C ATOM 1479 CG LEU A 126 -12.802 -7.966 5.575 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -12.693 -7.136 6.844 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -13.853 -7.384 4.640 1.00 0.00 C ATOM 0 H LEU A 126 -11.843 -10.491 4.842 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.142 -8.450 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.722 -8.481 5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.103 -7.041 4.654 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.115 -8.975 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.668 -7.083 7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.976 -7.599 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.357 -6.130 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.811 -7.333 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.552 -6.382 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.949 -8.020 3.760 1.00 0.00 H new ATOM 1493 N GLN A 127 -9.175 -9.743 3.352 1.00 0.00 N ATOM 1494 CA GLN A 127 -7.837 -9.818 2.798 1.00 0.00 C ATOM 1495 C GLN A 127 -7.897 -10.152 1.322 1.00 0.00 C ATOM 1496 O GLN A 127 -7.226 -9.521 0.521 1.00 0.00 O ATOM 1497 CB GLN A 127 -6.989 -10.857 3.531 1.00 0.00 C ATOM 1498 CG GLN A 127 -5.593 -11.011 2.944 1.00 0.00 C ATOM 1499 CD GLN A 127 -4.701 -11.930 3.761 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -5.292 -12.930 4.400 1.00 0.00 O flip ATOM 1501 NE2 GLN A 127 -3.483 -11.749 3.804 1.00 0.00 N flip ATOM 0 H GLN A 127 -9.387 -10.459 4.046 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.369 -8.842 2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -6.906 -10.574 4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -7.498 -11.820 3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.673 -11.400 1.929 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.125 -10.029 2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -3.065 -10.968 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -2.892 -12.380 4.345 1.00 0.00 H new ATOM 1510 N GLN A 128 -8.727 -11.128 0.968 1.00 0.00 N ATOM 1511 CA GLN A 128 -8.852 -11.575 -0.418 1.00 0.00 C ATOM 1512 C GLN A 128 -9.133 -10.414 -1.364 1.00 0.00 C ATOM 1513 O GLN A 128 -8.582 -10.351 -2.464 1.00 0.00 O ATOM 1514 CB GLN A 128 -9.955 -12.625 -0.542 1.00 0.00 C ATOM 1515 CG GLN A 128 -9.575 -13.975 0.041 1.00 0.00 C ATOM 1516 CD GLN A 128 -8.409 -14.631 -0.683 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -8.289 -14.380 -1.978 1.00 0.00 O flip ATOM 1518 NE2 GLN A 128 -7.626 -15.366 -0.083 1.00 0.00 N flip ATOM 0 H GLN A 128 -9.327 -11.628 1.625 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.898 -12.017 -0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -10.851 -12.260 -0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -10.209 -12.751 -1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -9.318 -13.850 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -10.439 -14.638 0.000 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.750 -15.536 0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -6.853 -15.805 -0.584 1.00 0.00 H new ATOM 1527 N ALA A 129 -9.993 -9.502 -0.938 1.00 0.00 N ATOM 1528 CA ALA A 129 -10.307 -8.325 -1.732 1.00 0.00 C ATOM 1529 C ALA A 129 -9.164 -7.314 -1.691 1.00 0.00 C ATOM 1530 O ALA A 129 -8.743 -6.798 -2.727 1.00 0.00 O ATOM 1531 CB ALA A 129 -11.596 -7.684 -1.243 1.00 0.00 C ATOM 0 H ALA A 129 -10.486 -9.555 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.442 -8.642 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.817 -6.804 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.414 -8.399 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.482 -7.388 -0.200 1.00 0.00 H new ATOM 1537 N CYS A 130 -8.663 -7.050 -0.491 1.00 0.00 N ATOM 1538 CA CYS A 130 -7.623 -6.046 -0.296 1.00 0.00 C ATOM 1539 C CYS A 130 -6.327 -6.456 -0.983 1.00 0.00 C ATOM 1540 O CYS A 130 -5.776 -5.697 -1.780 1.00 0.00 O ATOM 1541 CB CYS A 130 -7.370 -5.823 1.197 1.00 0.00 C ATOM 1542 SG CYS A 130 -6.204 -4.469 1.573 1.00 0.00 S ATOM 0 H CYS A 130 -8.961 -7.518 0.365 1.00 0.00 H new ATOM 0 HA CYS A 130 -7.971 -5.115 -0.744 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -8.321 -5.613 1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -6.986 -6.747 1.630 1.00 0.00 H new ATOM 1547 N GLU A 131 -5.865 -7.667 -0.696 1.00 0.00 N ATOM 1548 CA GLU A 131 -4.589 -8.145 -1.207 1.00 0.00 C ATOM 1549 C GLU A 131 -4.627 -8.276 -2.719 1.00 0.00 C ATOM 1550 O GLU A 131 -3.594 -8.301 -3.359 1.00 0.00 O ATOM 1551 CB GLU A 131 -4.181 -9.486 -0.585 1.00 0.00 C ATOM 1552 CG GLU A 131 -4.976 -10.673 -1.102 1.00 0.00 C ATOM 1553 CD GLU A 131 -4.221 -11.976 -0.971 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -3.415 -12.285 -1.874 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -4.431 -12.702 0.023 1.00 0.00 O ATOM 0 H GLU A 131 -6.359 -8.338 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.842 -7.402 -0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.122 -9.658 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.301 -9.425 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.915 -10.744 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.230 -10.508 -2.149 1.00 0.00 H new ATOM 1562 N ASP A 132 -5.811 -8.430 -3.281 1.00 0.00 N ATOM 1563 CA ASP A 132 -5.930 -8.560 -4.725 1.00 0.00 C ATOM 1564 C ASP A 132 -5.582 -7.242 -5.419 1.00 0.00 C ATOM 1565 O ASP A 132 -4.877 -7.230 -6.426 1.00 0.00 O ATOM 1566 CB ASP A 132 -7.335 -9.014 -5.115 1.00 0.00 C ATOM 1567 CG ASP A 132 -7.408 -9.489 -6.552 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -8.220 -8.945 -7.323 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -6.663 -10.423 -6.915 1.00 0.00 O ATOM 0 H ASP A 132 -6.693 -8.468 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 132 -5.221 -9.319 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -7.651 -9.819 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -8.034 -8.190 -4.971 1.00 0.00 H new ATOM 1574 N VAL A 133 -6.075 -6.134 -4.871 1.00 0.00 N ATOM 1575 CA VAL A 133 -5.782 -4.810 -5.416 1.00 0.00 C ATOM 1576 C VAL A 133 -4.434 -4.284 -4.901 1.00 0.00 C ATOM 1577 O VAL A 133 -3.588 -3.824 -5.669 1.00 0.00 O ATOM 1578 CB VAL A 133 -6.907 -3.810 -5.062 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -6.581 -2.414 -5.570 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -8.236 -4.284 -5.633 1.00 0.00 C ATOM 0 H VAL A 133 -6.680 -6.126 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.724 -4.906 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.987 -3.763 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -7.390 -1.733 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.653 -2.069 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.466 -2.439 -6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.018 -3.570 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.159 -4.362 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.484 -5.260 -5.215 1.00 0.00 H new ATOM 1590 N PHE A 134 -4.239 -4.399 -3.597 1.00 0.00 N ATOM 1591 CA PHE A 134 -3.032 -3.939 -2.909 1.00 0.00 C ATOM 1592 C PHE A 134 -1.954 -5.016 -2.919 1.00 0.00 C ATOM 1593 O PHE A 134 -1.129 -5.092 -2.011 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.348 -3.496 -1.477 1.00 0.00 C ATOM 1595 CG PHE A 134 -4.191 -2.250 -1.416 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -3.602 -0.996 -1.501 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -5.568 -2.330 -1.278 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -4.372 0.152 -1.453 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -6.340 -1.184 -1.228 1.00 0.00 C ATOM 1600 CZ PHE A 134 -5.741 0.057 -1.315 1.00 0.00 C ATOM 0 H PHE A 134 -4.925 -4.822 -2.971 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.649 -3.074 -3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -3.866 -4.303 -0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.414 -3.322 -0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -2.530 -0.916 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -6.043 -3.298 -1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -3.902 1.122 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -7.412 -1.260 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 134 -6.344 0.952 -1.275 1.00 0.00 H new ATOM 1610 N ARG A 135 -2.021 -5.879 -3.923 1.00 0.00 N ATOM 1611 CA ARG A 135 -1.224 -7.104 -3.984 1.00 0.00 C ATOM 1612 C ARG A 135 0.260 -6.870 -3.726 1.00 0.00 C ATOM 1613 O ARG A 135 0.848 -5.873 -4.150 1.00 0.00 O ATOM 1614 CB ARG A 135 -1.411 -7.772 -5.354 1.00 0.00 C ATOM 1615 CG ARG A 135 -1.009 -6.893 -6.529 1.00 0.00 C ATOM 1616 CD ARG A 135 -1.308 -7.572 -7.858 1.00 0.00 C ATOM 1617 NE ARG A 135 -2.735 -7.855 -8.019 1.00 0.00 N ATOM 1618 CZ ARG A 135 -3.250 -8.569 -9.017 1.00 0.00 C ATOM 1619 NH1 ARG A 135 -2.463 -9.075 -9.959 1.00 0.00 N ATOM 1620 NH2 ARG A 135 -4.559 -8.775 -9.071 1.00 0.00 N ATOM 0 H ARG A 135 -2.635 -5.751 -4.727 1.00 0.00 H new ATOM 0 HA ARG A 135 -1.583 -7.755 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -0.824 -8.690 -5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.457 -8.058 -5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -1.543 -5.944 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 135 0.055 -6.664 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -0.970 -6.935 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -0.744 -8.502 -7.925 1.00 0.00 H new ATOM 0 HE ARG A 135 -3.377 -7.480 -7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -1.456 -8.918 -9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -2.865 -9.621 -10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -5.167 -8.387 -8.349 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -4.958 -9.322 -9.834 1.00 0.00 H new