USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 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 Single : X 1 MET CE :methyl -150:sc= -0.265 (180deg=-1.41!) USER MOD Single : X 1 MET N :NH3+ -126:sc= 0.0449 (180deg=-0.464) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 16 LYS NZ :NH3+ 158:sc= -0.098 (180deg=-0.687) USER MOD Single : X 17 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.47) USER MOD Single : X 20 LYS NZ :NH3+ -164:sc=-0.000468 (180deg=-0.266) USER MOD Single : X 21 THR OG1 : rot -21:sc= 0.769 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.151) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0.0012 (180deg=0.0012) USER MOD Single : X 41 THR OG1 : rot 180:sc= 0 USER MOD Single : X 42 CYS SG : rot -60:sc= -1.27! USER MOD Single : X 47 GLN : amide:sc= -4.12! C(o=-4.1!,f=-13!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 180:sc= 0 USER MOD Single : X 64 GLN : amide:sc= -5.5! C(o=-5.5!,f=-6.3!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -5.35! C(o=-5.3!,f=-5.9!) USER MOD Single : X 69 THR OG1 : rot 118:sc= 0.786 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0.0619 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot -68:sc= 0.312 USER MOD Single : X 84 ASN : amide:sc= -0.0405 X(o=-0.041,f=-0.22) USER MOD Single : X 87 LYS NZ :NH3+ 162:sc= 0.0559 (180deg=0.0149) USER MOD Single : X 92 LYS NZ :NH3+ -165:sc= -0.0439 (180deg=-0.417) USER MOD Single : X 93 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.02) USER MOD Single : X 96 ASN : amide:sc= 0 X(o=0,f=0.0048) USER MOD Single : X 98 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 100 MET CE :methyl -149:sc= -0.112 (180deg=-0.808) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 58.324 -11.048 -5.455 1.00 1.00 N ATOM 2 CA MET X 1 58.306 -9.562 -5.347 1.00 1.00 C ATOM 3 C MET X 1 59.089 -8.959 -6.505 1.00 1.00 C ATOM 4 O MET X 1 59.895 -9.635 -7.140 1.00 1.00 O ATOM 5 CB MET X 1 58.934 -9.146 -4.014 1.00 1.00 C ATOM 6 CG MET X 1 58.046 -9.606 -2.852 1.00 1.00 C ATOM 7 SD MET X 1 56.460 -8.733 -2.909 1.00 1.00 S ATOM 8 CE MET X 1 57.097 -7.073 -2.564 1.00 1.00 C ATOM 0 H1 MET X 1 57.349 -11.409 -5.436 1.00 1.00 H new ATOM 0 H2 MET X 1 58.779 -11.326 -6.348 1.00 1.00 H new ATOM 0 H3 MET X 1 58.857 -11.448 -4.656 1.00 1.00 H new ATOM 0 HA MET X 1 57.279 -9.200 -5.388 1.00 1.00 H new ATOM 0 HB2 MET X 1 59.928 -9.583 -3.918 1.00 1.00 H new ATOM 0 HB3 MET X 1 59.057 -8.063 -3.982 1.00 1.00 H new ATOM 0 HG2 MET X 1 57.882 -10.682 -2.912 1.00 1.00 H new ATOM 0 HG3 MET X 1 58.545 -9.412 -1.902 1.00 1.00 H new ATOM 0 HE1 MET X 1 56.337 -6.493 -2.041 1.00 1.00 H new ATOM 0 HE2 MET X 1 57.988 -7.148 -1.941 1.00 1.00 H new ATOM 0 HE3 MET X 1 57.350 -6.578 -3.502 1.00 1.00 H new ATOM 20 N GLY X 2 58.844 -7.679 -6.773 1.00 1.00 N ATOM 21 CA GLY X 2 59.534 -6.992 -7.859 1.00 1.00 C ATOM 22 C GLY X 2 60.915 -6.528 -7.414 1.00 1.00 C ATOM 23 O GLY X 2 61.349 -6.826 -6.302 1.00 1.00 O ATOM 0 H GLY X 2 58.179 -7.102 -6.258 1.00 1.00 H new ATOM 0 HA2 GLY X 2 59.628 -7.659 -8.716 1.00 1.00 H new ATOM 0 HA3 GLY X 2 58.945 -6.135 -8.186 1.00 1.00 H new ATOM 27 N GLN X 3 61.601 -5.800 -8.289 1.00 1.00 N ATOM 28 CA GLN X 3 62.936 -5.301 -7.974 1.00 1.00 C ATOM 29 C GLN X 3 63.066 -3.837 -8.375 1.00 1.00 C ATOM 30 O GLN X 3 62.285 -3.336 -9.183 1.00 1.00 O ATOM 31 CB GLN X 3 63.991 -6.127 -8.713 1.00 1.00 C ATOM 32 CG GLN X 3 64.006 -7.554 -8.153 1.00 1.00 C ATOM 33 CD GLN X 3 64.991 -8.413 -8.938 1.00 1.00 C ATOM 34 OE1 GLN X 3 65.681 -7.912 -9.825 1.00 1.00 O ATOM 35 NE2 GLN X 3 65.095 -9.685 -8.665 1.00 1.00 N ATOM 0 H GLN X 3 61.259 -5.544 -9.215 1.00 1.00 H new ATOM 0 HA GLN X 3 63.092 -5.390 -6.899 1.00 1.00 H new ATOM 0 HB2 GLN X 3 63.771 -6.146 -9.781 1.00 1.00 H new ATOM 0 HB3 GLN X 3 64.973 -5.669 -8.598 1.00 1.00 H new ATOM 0 HG2 GLN X 3 64.285 -7.537 -7.100 1.00 1.00 H new ATOM 0 HG3 GLN X 3 63.007 -7.987 -8.211 1.00 1.00 H new ATOM 0 HE21 GLN X 3 64.522 -10.097 -7.929 1.00 1.00 H new ATOM 0 HE22 GLN X 3 65.750 -10.267 -9.188 1.00 1.00 H new ATOM 44 N GLU X 4 64.056 -3.158 -7.801 1.00 1.00 N ATOM 45 CA GLU X 4 64.284 -1.749 -8.099 1.00 1.00 C ATOM 46 C GLU X 4 65.609 -1.563 -8.825 1.00 1.00 C ATOM 47 O GLU X 4 66.650 -2.042 -8.373 1.00 1.00 O ATOM 48 CB GLU X 4 64.291 -0.938 -6.802 1.00 1.00 C ATOM 49 CG GLU X 4 65.561 -1.249 -6.009 1.00 1.00 C ATOM 50 CD GLU X 4 65.400 -0.790 -4.563 1.00 1.00 C ATOM 51 OE1 GLU X 4 64.692 0.178 -4.344 1.00 1.00 O ATOM 52 OE2 GLU X 4 65.985 -1.419 -3.697 1.00 1.00 O ATOM 0 H GLU X 4 64.710 -3.560 -7.130 1.00 1.00 H new ATOM 0 HA GLU X 4 63.479 -1.397 -8.744 1.00 1.00 H new ATOM 0 HB2 GLU X 4 64.243 0.127 -7.027 1.00 1.00 H new ATOM 0 HB3 GLU X 4 63.410 -1.178 -6.206 1.00 1.00 H new ATOM 0 HG2 GLU X 4 65.765 -2.319 -6.039 1.00 1.00 H new ATOM 0 HG3 GLU X 4 66.416 -0.749 -6.465 1.00 1.00 H new ATOM 59 N LEU X 5 65.561 -0.869 -9.957 1.00 1.00 N ATOM 60 CA LEU X 5 66.763 -0.623 -10.742 1.00 1.00 C ATOM 61 C LEU X 5 67.201 0.833 -10.611 1.00 1.00 C ATOM 62 O LEU X 5 66.406 1.751 -10.810 1.00 1.00 O ATOM 63 CB LEU X 5 66.504 -0.949 -12.217 1.00 1.00 C ATOM 64 CG LEU X 5 67.819 -0.855 -13.007 1.00 1.00 C ATOM 65 CD1 LEU X 5 68.792 -1.943 -12.539 1.00 1.00 C ATOM 66 CD2 LEU X 5 67.531 -1.035 -14.497 1.00 1.00 C ATOM 0 H LEU X 5 64.708 -0.470 -10.349 1.00 1.00 H new ATOM 0 HA LEU X 5 67.557 -1.266 -10.363 1.00 1.00 H new ATOM 0 HB2 LEU X 5 66.084 -1.950 -12.310 1.00 1.00 H new ATOM 0 HB3 LEU X 5 65.771 -0.256 -12.629 1.00 1.00 H new ATOM 0 HG LEU X 5 68.269 0.123 -12.836 1.00 1.00 H new ATOM 0 HD11 LEU X 5 69.721 -1.868 -13.105 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.002 -1.811 -11.478 1.00 1.00 H new ATOM 0 HD13 LEU X 5 68.346 -2.924 -12.702 1.00 1.00 H new ATOM 0 HD21 LEU X 5 68.463 -0.968 -15.058 1.00 1.00 H new ATOM 0 HD22 LEU X 5 67.076 -2.011 -14.664 1.00 1.00 H new ATOM 0 HD23 LEU X 5 66.849 -0.254 -14.833 1.00 1.00 H new ATOM 78 N SER X 6 68.473 1.035 -10.281 1.00 1.00 N ATOM 79 CA SER X 6 69.009 2.383 -10.129 1.00 1.00 C ATOM 80 C SER X 6 70.486 2.420 -10.506 1.00 1.00 C ATOM 81 O SER X 6 71.144 1.382 -10.584 1.00 1.00 O ATOM 82 CB SER X 6 68.835 2.851 -8.685 1.00 1.00 C ATOM 83 OG SER X 6 69.351 1.859 -7.806 1.00 1.00 O ATOM 0 H SER X 6 69.147 0.288 -10.115 1.00 1.00 H new ATOM 0 HA SER X 6 68.462 3.050 -10.796 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.356 3.796 -8.531 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.781 3.029 -8.473 1.00 1.00 H new ATOM 0 HG SER X 6 69.243 2.156 -6.878 1.00 1.00 H new ATOM 89 N GLN X 7 71.002 3.622 -10.742 1.00 1.00 N ATOM 90 CA GLN X 7 72.401 3.783 -11.115 1.00 1.00 C ATOM 91 C GLN X 7 73.315 3.279 -10.001 1.00 1.00 C ATOM 92 O GLN X 7 74.428 2.820 -10.259 1.00 1.00 O ATOM 93 CB GLN X 7 72.701 5.259 -11.393 1.00 1.00 C ATOM 94 CG GLN X 7 71.897 5.722 -12.608 1.00 1.00 C ATOM 95 CD GLN X 7 72.146 7.205 -12.863 1.00 1.00 C ATOM 96 OE1 GLN X 7 72.264 7.988 -11.921 1.00 1.00 O ATOM 97 NE2 GLN X 7 72.233 7.641 -14.091 1.00 1.00 N ATOM 0 H GLN X 7 70.475 4.493 -10.682 1.00 1.00 H new ATOM 0 HA GLN X 7 72.587 3.197 -12.015 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.445 5.863 -10.523 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.767 5.397 -11.575 1.00 1.00 H new ATOM 0 HG2 GLN X 7 72.181 5.141 -13.485 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.834 5.547 -12.440 1.00 1.00 H new ATOM 0 HE21 GLN X 7 72.135 6.991 -14.871 1.00 1.00 H new ATOM 0 HE22 GLN X 7 72.399 8.631 -14.270 1.00 1.00 H new ATOM 106 N HIS X 8 72.842 3.371 -8.763 1.00 1.00 N ATOM 107 CA HIS X 8 73.631 2.926 -7.617 1.00 1.00 C ATOM 108 C HIS X 8 73.868 1.420 -7.683 1.00 1.00 C ATOM 109 O HIS X 8 74.973 0.944 -7.419 1.00 1.00 O ATOM 110 CB HIS X 8 72.905 3.270 -6.317 1.00 1.00 C ATOM 111 CG HIS X 8 72.882 4.763 -6.135 1.00 1.00 C ATOM 112 ND1 HIS X 8 73.918 5.449 -5.521 1.00 1.00 N ATOM 113 CD2 HIS X 8 71.956 5.716 -6.481 1.00 1.00 C ATOM 114 CE1 HIS X 8 73.594 6.756 -5.516 1.00 1.00 C ATOM 115 NE2 HIS X 8 72.408 6.973 -6.089 1.00 1.00 N ATOM 0 H HIS X 8 71.924 3.746 -8.527 1.00 1.00 H new ATOM 0 HA HIS X 8 74.593 3.438 -7.643 1.00 1.00 H new ATOM 0 HB2 HIS X 8 71.887 2.880 -6.342 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.406 2.798 -5.472 1.00 1.00 H new ATOM 0 HD2 HIS X 8 71.019 5.520 -6.981 1.00 1.00 H new ATOM 0 HE1 HIS X 8 74.217 7.533 -5.099 1.00 1.00 H new ATOM 0 HE2 HIS X 8 71.935 7.868 -6.213 1.00 1.00 H new ATOM 123 N GLU X 9 72.830 0.677 -8.047 1.00 1.00 N ATOM 124 CA GLU X 9 72.944 -0.772 -8.154 1.00 1.00 C ATOM 125 C GLU X 9 73.962 -1.147 -9.226 1.00 1.00 C ATOM 126 O GLU X 9 74.752 -2.064 -9.047 1.00 1.00 O ATOM 127 CB GLU X 9 71.585 -1.379 -8.504 1.00 1.00 C ATOM 128 CG GLU X 9 70.669 -1.327 -7.281 1.00 1.00 C ATOM 129 CD GLU X 9 69.288 -1.865 -7.641 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.107 -2.265 -8.780 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.431 -1.868 -6.773 1.00 1.00 O ATOM 0 H GLU X 9 71.907 1.050 -8.271 1.00 1.00 H new ATOM 0 HA GLU X 9 73.279 -1.165 -7.194 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.134 -0.832 -9.332 1.00 1.00 H new ATOM 0 HB3 GLU X 9 71.710 -2.410 -8.833 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.098 -1.916 -6.470 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.586 -0.301 -6.921 1.00 1.00 H new ATOM 138 N ARG X 10 73.934 -0.437 -10.341 1.00 1.00 N ATOM 139 CA ARG X 10 74.864 -0.706 -11.429 1.00 1.00 C ATOM 140 C ARG X 10 76.289 -0.347 -11.019 1.00 1.00 C ATOM 141 O ARG X 10 77.247 -0.994 -11.436 1.00 1.00 O ATOM 142 CB ARG X 10 74.467 0.103 -12.663 1.00 1.00 C ATOM 143 CG ARG X 10 73.109 -0.382 -13.172 1.00 1.00 C ATOM 144 CD ARG X 10 72.709 0.421 -14.412 1.00 1.00 C ATOM 145 NE ARG X 10 71.463 -0.092 -14.967 1.00 1.00 N ATOM 146 CZ ARG X 10 70.919 0.449 -16.053 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.501 1.458 -16.640 1.00 1.00 N ATOM 148 NH2 ARG X 10 69.803 -0.030 -16.531 1.00 1.00 N ATOM 0 H ARG X 10 73.282 0.327 -10.518 1.00 1.00 H new ATOM 0 HA ARG X 10 74.824 -1.770 -11.662 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.418 1.163 -12.416 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.221 -0.008 -13.442 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.158 -1.444 -13.414 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.355 -0.267 -12.393 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.593 1.473 -14.150 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.499 0.364 -15.161 1.00 1.00 H new ATOM 0 HE ARG X 10 71.000 -0.880 -14.514 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.373 1.832 -16.266 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.084 1.873 -17.473 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.348 -0.819 -16.071 1.00 1.00 H new ATOM 0 HH22 ARG X 10 69.385 0.385 -17.364 1.00 1.00 H new ATOM 162 N TYR X 11 76.421 0.709 -10.221 1.00 1.00 N ATOM 163 CA TYR X 11 77.738 1.160 -9.783 1.00 1.00 C ATOM 164 C TYR X 11 78.484 0.048 -9.051 1.00 1.00 C ATOM 165 O TYR X 11 79.646 -0.244 -9.349 1.00 1.00 O ATOM 166 CB TYR X 11 77.586 2.366 -8.850 1.00 1.00 C ATOM 167 CG TYR X 11 78.933 2.740 -8.283 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.872 3.399 -9.085 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.246 2.424 -6.956 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.125 3.742 -8.560 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.498 2.768 -6.430 1.00 1.00 C ATOM 172 CZ TYR X 11 81.437 3.426 -7.232 1.00 1.00 C ATOM 173 OH TYR X 11 82.670 3.764 -6.714 1.00 1.00 O ATOM 0 H TYR X 11 75.641 1.263 -9.868 1.00 1.00 H new ATOM 0 HA TYR X 11 78.312 1.441 -10.666 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.163 3.210 -9.395 1.00 1.00 H new ATOM 0 HB3 TYR X 11 76.893 2.129 -8.042 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.631 3.643 -10.109 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.522 1.915 -6.337 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.850 4.250 -9.179 1.00 1.00 H new ATOM 0 HE2 TYR X 11 80.738 2.525 -5.405 1.00 1.00 H new ATOM 0 HH TYR X 11 82.723 3.474 -5.779 1.00 1.00 H new ATOM 183 N VAL X 12 77.812 -0.571 -8.092 1.00 1.00 N ATOM 184 CA VAL X 12 78.422 -1.645 -7.319 1.00 1.00 C ATOM 185 C VAL X 12 78.735 -2.837 -8.219 1.00 1.00 C ATOM 186 O VAL X 12 79.722 -3.545 -8.012 1.00 1.00 O ATOM 187 CB VAL X 12 77.489 -2.074 -6.179 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.596 -3.228 -6.636 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.323 -2.521 -4.983 1.00 1.00 C ATOM 0 H VAL X 12 76.851 -0.351 -7.831 1.00 1.00 H new ATOM 0 HA VAL X 12 79.355 -1.278 -6.891 1.00 1.00 H new ATOM 0 HB VAL X 12 76.861 -1.229 -5.896 1.00 1.00 H new ATOM 0 HG11 VAL X 12 75.938 -3.524 -5.819 1.00 1.00 H new ATOM 0 HG12 VAL X 12 75.996 -2.908 -7.488 1.00 1.00 H new ATOM 0 HG13 VAL X 12 77.217 -4.075 -6.927 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.662 -2.826 -4.172 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.954 -3.362 -5.273 1.00 1.00 H new ATOM 0 HG23 VAL X 12 78.951 -1.695 -4.648 1.00 1.00 H new ATOM 199 N GLU X 13 77.878 -3.062 -9.212 1.00 1.00 N ATOM 200 CA GLU X 13 78.063 -4.178 -10.131 1.00 1.00 C ATOM 201 C GLU X 13 79.350 -3.997 -10.926 1.00 1.00 C ATOM 202 O GLU X 13 80.064 -4.965 -11.213 1.00 1.00 O ATOM 203 CB GLU X 13 76.871 -4.273 -11.086 1.00 1.00 C ATOM 204 CG GLU X 13 75.661 -4.849 -10.344 1.00 1.00 C ATOM 205 CD GLU X 13 74.439 -4.846 -11.258 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.578 -4.435 -12.398 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.383 -5.251 -10.803 1.00 1.00 O ATOM 0 H GLU X 13 77.055 -2.490 -9.399 1.00 1.00 H new ATOM 0 HA GLU X 13 78.131 -5.100 -9.553 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.631 -3.287 -11.483 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.123 -4.906 -11.937 1.00 1.00 H new ATOM 0 HG2 GLU X 13 75.876 -5.865 -10.014 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.458 -4.260 -9.450 1.00 1.00 H new ATOM 214 N GLN X 14 79.653 -2.748 -11.265 1.00 1.00 N ATOM 215 CA GLN X 14 80.866 -2.449 -12.017 1.00 1.00 C ATOM 216 C GLN X 14 82.098 -2.804 -11.199 1.00 1.00 C ATOM 217 O GLN X 14 83.062 -3.367 -11.721 1.00 1.00 O ATOM 218 CB GLN X 14 80.898 -0.965 -12.388 1.00 1.00 C ATOM 219 CG GLN X 14 79.842 -0.680 -13.457 1.00 1.00 C ATOM 220 CD GLN X 14 79.768 0.819 -13.731 1.00 1.00 C ATOM 221 OE1 GLN X 14 80.573 1.587 -13.206 1.00 1.00 O ATOM 222 NE2 GLN X 14 78.840 1.282 -14.523 1.00 1.00 N ATOM 0 H GLN X 14 79.082 -1.935 -11.034 1.00 1.00 H new ATOM 0 HA GLN X 14 80.867 -3.046 -12.929 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.710 -0.355 -11.505 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.887 -0.694 -12.758 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.088 -1.214 -14.375 1.00 1.00 H new ATOM 0 HG3 GLN X 14 78.870 -1.046 -13.126 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.174 0.643 -14.957 1.00 1.00 H new ATOM 0 HE22 GLN X 14 78.781 2.283 -14.708 1.00 1.00 H new ATOM 231 N LEU X 15 82.051 -2.489 -9.910 1.00 1.00 N ATOM 232 CA LEU X 15 83.163 -2.797 -9.024 1.00 1.00 C ATOM 233 C LEU X 15 83.349 -4.301 -8.922 1.00 1.00 C ATOM 234 O LEU X 15 84.463 -4.781 -8.902 1.00 1.00 O ATOM 235 CB LEU X 15 82.905 -2.224 -7.632 1.00 1.00 C ATOM 236 CG LEU X 15 82.953 -0.692 -7.692 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.562 -0.113 -6.333 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.373 -0.228 -8.047 1.00 1.00 C ATOM 0 H LEU X 15 81.262 -2.025 -9.460 1.00 1.00 H new ATOM 0 HA LEU X 15 84.067 -2.348 -9.436 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.933 -2.554 -7.266 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.652 -2.595 -6.930 1.00 1.00 H new ATOM 0 HG LEU X 15 82.256 -0.345 -8.454 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.597 0.976 -6.378 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.552 -0.434 -6.078 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.258 -0.467 -5.573 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.400 0.861 -8.088 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.071 -0.580 -7.288 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.657 -0.635 -9.018 1.00 1.00 H new ATOM 250 N LYS X 16 82.254 -5.037 -8.855 1.00 1.00 N ATOM 251 CA LYS X 16 82.328 -6.488 -8.747 1.00 1.00 C ATOM 252 C LYS X 16 83.196 -7.061 -9.861 1.00 1.00 C ATOM 253 O LYS X 16 84.028 -7.938 -9.619 1.00 1.00 O ATOM 254 CB LYS X 16 80.923 -7.080 -8.855 1.00 1.00 C ATOM 255 CG LYS X 16 80.977 -8.591 -8.622 1.00 1.00 C ATOM 256 CD LYS X 16 79.574 -9.176 -8.746 1.00 1.00 C ATOM 257 CE LYS X 16 79.627 -10.687 -8.495 1.00 1.00 C ATOM 258 NZ LYS X 16 80.195 -10.947 -7.142 1.00 1.00 N ATOM 0 H LYS X 16 81.307 -4.659 -8.873 1.00 1.00 H new ATOM 0 HA LYS X 16 82.769 -6.744 -7.783 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.265 -6.613 -8.122 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.505 -6.869 -9.839 1.00 1.00 H new ATOM 0 HG2 LYS X 16 81.643 -9.058 -9.348 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.385 -8.803 -7.634 1.00 1.00 H new ATOM 0 HD2 LYS X 16 78.905 -8.701 -8.028 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.171 -8.975 -9.739 1.00 1.00 H new ATOM 0 HE2 LYS X 16 78.627 -11.114 -8.569 1.00 1.00 H new ATOM 0 HE3 LYS X 16 80.238 -11.172 -9.257 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.900 -11.890 -6.817 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 81.233 -10.905 -7.187 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 79.848 -10.227 -6.476 1.00 1.00 H new ATOM 272 N GLN X 17 82.995 -6.571 -11.082 1.00 1.00 N ATOM 273 CA GLN X 17 83.775 -7.062 -12.216 1.00 1.00 C ATOM 274 C GLN X 17 85.240 -6.630 -12.100 1.00 1.00 C ATOM 275 O GLN X 17 86.156 -7.458 -12.173 1.00 1.00 O ATOM 276 CB GLN X 17 83.186 -6.518 -13.517 1.00 1.00 C ATOM 277 CG GLN X 17 81.798 -7.124 -13.743 1.00 1.00 C ATOM 278 CD GLN X 17 81.924 -8.607 -14.074 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.727 -8.986 -14.927 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.174 -9.473 -13.449 1.00 1.00 N ATOM 0 H GLN X 17 82.312 -5.848 -11.310 1.00 1.00 H new ATOM 0 HA GLN X 17 83.733 -8.151 -12.216 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.117 -5.431 -13.471 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.841 -6.760 -14.354 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.185 -6.993 -12.851 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.293 -6.603 -14.556 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.510 -9.156 -12.743 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.252 -10.466 -13.667 1.00 1.00 H new ATOM 289 N ALA X 18 85.452 -5.329 -11.928 1.00 1.00 N ATOM 290 CA ALA X 18 86.806 -4.794 -11.816 1.00 1.00 C ATOM 291 C ALA X 18 87.530 -5.395 -10.618 1.00 1.00 C ATOM 292 O ALA X 18 88.673 -5.818 -10.726 1.00 1.00 O ATOM 293 CB ALA X 18 86.755 -3.274 -11.680 1.00 1.00 C ATOM 0 H ALA X 18 84.711 -4.631 -11.863 1.00 1.00 H new ATOM 0 HA ALA X 18 87.355 -5.059 -12.719 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.769 -2.882 -11.597 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.271 -2.846 -12.558 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.189 -3.007 -10.788 1.00 1.00 H new ATOM 299 N LEU X 19 86.854 -5.435 -9.484 1.00 1.00 N ATOM 300 CA LEU X 19 87.431 -5.986 -8.271 1.00 1.00 C ATOM 301 C LEU X 19 87.801 -7.443 -8.462 1.00 1.00 C ATOM 302 O LEU X 19 88.828 -7.897 -7.959 1.00 1.00 O ATOM 303 CB LEU X 19 86.439 -5.842 -7.097 1.00 1.00 C ATOM 304 CG LEU X 19 86.320 -4.378 -6.681 1.00 1.00 C ATOM 305 CD1 LEU X 19 85.221 -4.243 -5.626 1.00 1.00 C ATOM 306 CD2 LEU X 19 87.644 -3.891 -6.090 1.00 1.00 C ATOM 0 H LEU X 19 85.900 -5.091 -9.378 1.00 1.00 H new ATOM 0 HA LEU X 19 88.339 -5.428 -8.042 1.00 1.00 H new ATOM 0 HB2 LEU X 19 85.461 -6.225 -7.389 1.00 1.00 H new ATOM 0 HB3 LEU X 19 86.776 -6.441 -6.251 1.00 1.00 H new ATOM 0 HG LEU X 19 86.075 -3.776 -7.556 1.00 1.00 H new ATOM 0 HD11 LEU X 19 85.132 -3.199 -5.325 1.00 1.00 H new ATOM 0 HD12 LEU X 19 84.273 -4.583 -6.043 1.00 1.00 H new ATOM 0 HD13 LEU X 19 85.474 -4.851 -4.757 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.549 -2.846 -5.796 1.00 1.00 H new ATOM 0 HD22 LEU X 19 87.895 -4.492 -5.216 1.00 1.00 H new ATOM 0 HD23 LEU X 19 88.433 -3.988 -6.836 1.00 1.00 H new ATOM 318 N LYS X 20 86.970 -8.167 -9.189 1.00 1.00 N ATOM 319 CA LYS X 20 87.223 -9.580 -9.429 1.00 1.00 C ATOM 320 C LYS X 20 88.596 -9.787 -10.056 1.00 1.00 C ATOM 321 O LYS X 20 89.352 -10.663 -9.632 1.00 1.00 O ATOM 322 CB LYS X 20 86.154 -10.145 -10.365 1.00 1.00 C ATOM 323 CG LYS X 20 86.367 -11.651 -10.543 1.00 1.00 C ATOM 324 CD LYS X 20 85.258 -12.223 -11.426 1.00 1.00 C ATOM 325 CE LYS X 20 85.455 -13.732 -11.579 1.00 1.00 C ATOM 326 NZ LYS X 20 86.669 -13.994 -12.403 1.00 1.00 N ATOM 0 H LYS X 20 86.120 -7.806 -9.622 1.00 1.00 H new ATOM 0 HA LYS X 20 87.191 -10.099 -8.471 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.162 -9.954 -9.956 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.202 -9.644 -11.332 1.00 1.00 H new ATOM 0 HG2 LYS X 20 87.340 -11.840 -10.995 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.365 -12.146 -9.572 1.00 1.00 H new ATOM 0 HD2 LYS X 20 84.283 -12.016 -10.984 1.00 1.00 H new ATOM 0 HD3 LYS X 20 85.273 -11.742 -12.404 1.00 1.00 H new ATOM 0 HE2 LYS X 20 85.561 -14.197 -10.599 1.00 1.00 H new ATOM 0 HE3 LYS X 20 84.579 -14.178 -12.051 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 86.657 -14.980 -12.734 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 86.677 -13.353 -13.222 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 87.520 -13.832 -11.828 1.00 1.00 H new ATOM 340 N THR X 21 88.910 -8.989 -11.065 1.00 1.00 N ATOM 341 CA THR X 21 90.198 -9.113 -11.742 1.00 1.00 C ATOM 342 C THR X 21 91.348 -8.802 -10.788 1.00 1.00 C ATOM 343 O THR X 21 92.438 -9.363 -10.915 1.00 1.00 O ATOM 344 CB THR X 21 90.250 -8.150 -12.931 1.00 1.00 C ATOM 345 OG1 THR X 21 90.056 -6.819 -12.466 1.00 1.00 O ATOM 346 CG2 THR X 21 89.150 -8.504 -13.934 1.00 1.00 C ATOM 0 H THR X 21 88.302 -8.257 -11.432 1.00 1.00 H new ATOM 0 HA THR X 21 90.304 -10.140 -12.091 1.00 1.00 H new ATOM 0 HB THR X 21 91.221 -8.232 -13.420 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.616 -6.839 -11.591 1.00 1.00 H new ATOM 0 HG21 THR X 21 89.192 -7.815 -14.778 1.00 1.00 H new ATOM 0 HG22 THR X 21 89.297 -9.524 -14.290 1.00 1.00 H new ATOM 0 HG23 THR X 21 88.177 -8.425 -13.449 1.00 1.00 H new ATOM 354 N ARG X 22 91.107 -7.899 -9.845 1.00 1.00 N ATOM 355 CA ARG X 22 92.134 -7.517 -8.885 1.00 1.00 C ATOM 356 C ARG X 22 92.452 -8.674 -7.944 1.00 1.00 C ATOM 357 O ARG X 22 93.467 -8.660 -7.252 1.00 1.00 O ATOM 358 CB ARG X 22 91.661 -6.310 -8.074 1.00 1.00 C ATOM 359 CG ARG X 22 91.427 -5.128 -9.014 1.00 1.00 C ATOM 360 CD ARG X 22 90.900 -3.935 -8.214 1.00 1.00 C ATOM 361 NE ARG X 22 90.241 -2.980 -9.106 1.00 1.00 N ATOM 362 CZ ARG X 22 89.691 -1.867 -8.632 1.00 1.00 C ATOM 363 NH1 ARG X 22 89.740 -1.607 -7.355 1.00 1.00 N ATOM 364 NH2 ARG X 22 89.102 -1.034 -9.446 1.00 1.00 N ATOM 0 H ARG X 22 90.214 -7.420 -9.725 1.00 1.00 H new ATOM 0 HA ARG X 22 93.039 -7.257 -9.434 1.00 1.00 H new ATOM 0 HB2 ARG X 22 90.741 -6.553 -7.542 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.405 -6.049 -7.322 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.356 -4.860 -9.517 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.713 -5.403 -9.790 1.00 1.00 H new ATOM 0 HD2 ARG X 22 90.198 -4.279 -7.455 1.00 1.00 H new ATOM 0 HD3 ARG X 22 91.722 -3.447 -7.690 1.00 1.00 H new ATOM 0 HE ARG X 22 90.203 -3.172 -10.107 1.00 1.00 H new ATOM 0 HH11 ARG X 22 90.201 -2.258 -6.719 1.00 1.00 H new ATOM 0 HH12 ARG X 22 89.318 -0.752 -6.992 1.00 1.00 H new ATOM 0 HH21 ARG X 22 89.064 -1.238 -10.445 1.00 1.00 H new ATOM 0 HH22 ARG X 22 88.679 -0.179 -9.083 1.00 1.00 H new ATOM 378 N GLY X 23 91.571 -9.671 -7.914 1.00 1.00 N ATOM 379 CA GLY X 23 91.771 -10.825 -7.044 1.00 1.00 C ATOM 380 C GLY X 23 90.815 -10.791 -5.861 1.00 1.00 C ATOM 381 O GLY X 23 91.083 -11.390 -4.821 1.00 1.00 O ATOM 0 H GLY X 23 90.720 -9.703 -8.476 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.619 -11.743 -7.612 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.800 -10.839 -6.684 1.00 1.00 H new ATOM 385 N VAL X 24 89.708 -10.073 -6.019 1.00 1.00 N ATOM 386 CA VAL X 24 88.726 -9.958 -4.946 1.00 1.00 C ATOM 387 C VAL X 24 87.499 -10.816 -5.233 1.00 1.00 C ATOM 388 O VAL X 24 86.936 -10.764 -6.321 1.00 1.00 O ATOM 389 CB VAL X 24 88.299 -8.502 -4.793 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.992 -8.420 -4.001 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.391 -7.717 -4.066 1.00 1.00 C ATOM 0 H VAL X 24 89.469 -9.566 -6.871 1.00 1.00 H new ATOM 0 HA VAL X 24 89.188 -10.309 -4.023 1.00 1.00 H new ATOM 0 HB VAL X 24 88.144 -8.072 -5.783 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.695 -7.377 -3.897 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.212 -8.969 -4.529 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.137 -8.856 -3.013 1.00 1.00 H new ATOM 0 HG21 VAL X 24 89.082 -6.677 -3.959 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.555 -8.150 -3.079 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.316 -7.763 -4.641 1.00 1.00 H new ATOM 401 N LYS X 25 87.087 -11.597 -4.242 1.00 1.00 N ATOM 402 CA LYS X 25 85.918 -12.460 -4.391 1.00 1.00 C ATOM 403 C LYS X 25 84.857 -12.101 -3.359 1.00 1.00 C ATOM 404 O LYS X 25 84.789 -12.715 -2.295 1.00 1.00 O ATOM 405 CB LYS X 25 86.326 -13.925 -4.222 1.00 1.00 C ATOM 406 CG LYS X 25 85.101 -14.823 -4.418 1.00 1.00 C ATOM 407 CD LYS X 25 85.521 -16.288 -4.321 1.00 1.00 C ATOM 408 CE LYS X 25 84.299 -17.183 -4.538 1.00 1.00 C ATOM 409 NZ LYS X 25 84.718 -18.612 -4.500 1.00 1.00 N ATOM 0 H LYS X 25 87.541 -11.652 -3.330 1.00 1.00 H new ATOM 0 HA LYS X 25 85.503 -12.313 -5.388 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.099 -14.184 -4.945 1.00 1.00 H new ATOM 0 HB3 LYS X 25 86.751 -14.083 -3.231 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.348 -14.599 -3.662 1.00 1.00 H new ATOM 0 HG3 LYS X 25 84.646 -14.628 -5.389 1.00 1.00 H new ATOM 0 HD2 LYS X 25 86.284 -16.509 -5.067 1.00 1.00 H new ATOM 0 HD3 LYS X 25 85.963 -16.487 -3.345 1.00 1.00 H new ATOM 0 HE2 LYS X 25 83.553 -16.991 -3.767 1.00 1.00 H new ATOM 0 HE3 LYS X 25 83.833 -16.955 -5.497 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 83.888 -19.221 -4.647 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 85.415 -18.789 -5.251 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 85.143 -18.825 -3.575 1.00 1.00 H new ATOM 423 N VAL X 26 84.033 -11.106 -3.681 1.00 1.00 N ATOM 424 CA VAL X 26 82.977 -10.673 -2.775 1.00 1.00 C ATOM 425 C VAL X 26 81.635 -10.621 -3.497 1.00 1.00 C ATOM 426 O VAL X 26 81.558 -10.191 -4.650 1.00 1.00 O ATOM 427 CB VAL X 26 83.309 -9.294 -2.206 1.00 1.00 C ATOM 428 CG1 VAL X 26 82.100 -8.755 -1.444 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.503 -9.409 -1.257 1.00 1.00 C ATOM 0 H VAL X 26 84.077 -10.588 -4.559 1.00 1.00 H new ATOM 0 HA VAL X 26 82.907 -11.394 -1.960 1.00 1.00 H new ATOM 0 HB VAL X 26 83.558 -8.613 -3.020 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.335 -7.771 -1.037 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.250 -8.674 -2.121 1.00 1.00 H new ATOM 0 HG13 VAL X 26 81.851 -9.434 -0.629 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.741 -8.426 -0.851 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.256 -10.089 -0.442 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.365 -9.794 -1.802 1.00 1.00 H new ATOM 439 N LYS X 27 80.580 -11.067 -2.821 1.00 1.00 N ATOM 440 CA LYS X 27 79.251 -11.067 -3.417 1.00 1.00 C ATOM 441 C LYS X 27 78.795 -9.637 -3.701 1.00 1.00 C ATOM 442 O LYS X 27 79.164 -8.703 -2.993 1.00 1.00 O ATOM 443 CB LYS X 27 78.263 -11.728 -2.453 1.00 1.00 C ATOM 444 CG LYS X 27 78.768 -13.124 -2.085 1.00 1.00 C ATOM 445 CD LYS X 27 77.860 -13.730 -1.016 1.00 1.00 C ATOM 446 CE LYS X 27 78.379 -15.116 -0.632 1.00 1.00 C ATOM 447 NZ LYS X 27 77.505 -15.701 0.427 1.00 1.00 N ATOM 0 H LYS X 27 80.620 -11.430 -1.869 1.00 1.00 H new ATOM 0 HA LYS X 27 79.286 -11.621 -4.355 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.153 -11.121 -1.555 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.278 -11.796 -2.914 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.782 -13.762 -2.969 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.792 -13.066 -1.717 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.833 -13.084 -0.138 1.00 1.00 H new ATOM 0 HD3 LYS X 27 76.839 -13.803 -1.390 1.00 1.00 H new ATOM 0 HE2 LYS X 27 78.392 -15.766 -1.507 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.405 -15.044 -0.272 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 77.859 -16.644 0.688 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 77.514 -15.084 1.264 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 76.532 -15.783 0.068 1.00 1.00 H new ATOM 461 N TYR X 28 77.987 -9.476 -4.740 1.00 1.00 N ATOM 462 CA TYR X 28 77.478 -8.159 -5.106 1.00 1.00 C ATOM 463 C TYR X 28 76.633 -7.567 -3.984 1.00 1.00 C ATOM 464 O TYR X 28 76.795 -6.404 -3.616 1.00 1.00 O ATOM 465 CB TYR X 28 76.638 -8.267 -6.377 1.00 1.00 C ATOM 466 CG TYR X 28 75.218 -7.849 -6.086 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.290 -8.803 -5.650 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.826 -6.514 -6.246 1.00 1.00 C ATOM 469 CE1 TYR X 28 72.972 -8.422 -5.373 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.508 -6.134 -5.970 1.00 1.00 C ATOM 471 CZ TYR X 28 72.580 -7.088 -5.533 1.00 1.00 C ATOM 472 OH TYR X 28 71.282 -6.713 -5.260 1.00 1.00 O ATOM 0 H TYR X 28 77.670 -10.236 -5.342 1.00 1.00 H new ATOM 0 HA TYR X 28 78.329 -7.500 -5.280 1.00 1.00 H new ATOM 0 HB2 TYR X 28 77.060 -7.635 -7.158 1.00 1.00 H new ATOM 0 HB3 TYR X 28 76.656 -9.291 -6.751 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.591 -9.833 -5.527 1.00 1.00 H new ATOM 0 HD2 TYR X 28 75.541 -5.778 -6.582 1.00 1.00 H new ATOM 0 HE1 TYR X 28 72.257 -9.158 -5.036 1.00 1.00 H new ATOM 0 HE2 TYR X 28 73.206 -5.105 -6.094 1.00 1.00 H new ATOM 0 HH TYR X 28 71.178 -5.752 -5.422 1.00 1.00 H new ATOM 482 N ALA X 29 75.724 -8.370 -3.456 1.00 1.00 N ATOM 483 CA ALA X 29 74.846 -7.920 -2.385 1.00 1.00 C ATOM 484 C ALA X 29 75.664 -7.390 -1.212 1.00 1.00 C ATOM 485 O ALA X 29 75.262 -6.445 -0.544 1.00 1.00 O ATOM 486 CB ALA X 29 73.960 -9.076 -1.907 1.00 1.00 C ATOM 0 H ALA X 29 75.574 -9.335 -3.750 1.00 1.00 H new ATOM 0 HA ALA X 29 74.217 -7.118 -2.772 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.308 -8.728 -1.106 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.354 -9.437 -2.738 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.588 -9.887 -1.537 1.00 1.00 H new ATOM 492 N ASP X 30 76.812 -8.008 -0.965 1.00 1.00 N ATOM 493 CA ASP X 30 77.670 -7.586 0.138 1.00 1.00 C ATOM 494 C ASP X 30 78.100 -6.131 -0.038 1.00 1.00 C ATOM 495 O ASP X 30 77.964 -5.320 0.874 1.00 1.00 O ATOM 496 CB ASP X 30 78.908 -8.482 0.201 1.00 1.00 C ATOM 497 CG ASP X 30 79.775 -8.092 1.394 1.00 1.00 C ATOM 498 OD1 ASP X 30 79.424 -7.139 2.069 1.00 1.00 O ATOM 499 OD2 ASP X 30 80.775 -8.756 1.616 1.00 1.00 O ATOM 0 H ASP X 30 77.169 -8.795 -1.506 1.00 1.00 H new ATOM 0 HA ASP X 30 77.107 -7.673 1.067 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.607 -9.526 0.286 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.481 -8.389 -0.721 1.00 1.00 H new ATOM 504 N LEU X 31 78.613 -5.808 -1.216 1.00 1.00 N ATOM 505 CA LEU X 31 79.051 -4.449 -1.500 1.00 1.00 C ATOM 506 C LEU X 31 77.872 -3.493 -1.483 1.00 1.00 C ATOM 507 O LEU X 31 77.978 -2.374 -0.977 1.00 1.00 O ATOM 508 CB LEU X 31 79.738 -4.394 -2.873 1.00 1.00 C ATOM 509 CG LEU X 31 81.055 -5.170 -2.825 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.661 -5.248 -4.227 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.040 -4.473 -1.880 1.00 1.00 C ATOM 0 H LEU X 31 78.736 -6.464 -1.987 1.00 1.00 H new ATOM 0 HA LEU X 31 79.759 -4.148 -0.728 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.083 -4.818 -3.635 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.926 -3.358 -3.155 1.00 1.00 H new ATOM 0 HG LEU X 31 80.858 -6.178 -2.458 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.599 -5.802 -4.188 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.967 -5.757 -4.896 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.850 -4.241 -4.598 1.00 1.00 H new ATOM 0 HD21 LEU X 31 82.975 -5.032 -1.852 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.233 -3.461 -2.237 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.613 -4.429 -0.878 1.00 1.00 H new ATOM 523 N LEU X 32 76.750 -3.927 -2.052 1.00 1.00 N ATOM 524 CA LEU X 32 75.570 -3.085 -2.100 1.00 1.00 C ATOM 525 C LEU X 32 75.079 -2.756 -0.692 1.00 1.00 C ATOM 526 O LEU X 32 74.799 -1.599 -0.373 1.00 1.00 O ATOM 527 CB LEU X 32 74.458 -3.799 -2.884 1.00 1.00 C ATOM 528 CG LEU X 32 73.182 -2.946 -2.884 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.481 -1.577 -3.494 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.103 -3.645 -3.707 1.00 1.00 C ATOM 0 H LEU X 32 76.639 -4.846 -2.480 1.00 1.00 H new ATOM 0 HA LEU X 32 75.830 -2.152 -2.600 1.00 1.00 H new ATOM 0 HB2 LEU X 32 74.783 -3.981 -3.908 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.254 -4.772 -2.437 1.00 1.00 H new ATOM 0 HG LEU X 32 72.832 -2.817 -1.860 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.574 -0.972 -3.493 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.251 -1.077 -2.906 1.00 1.00 H new ATOM 0 HD13 LEU X 32 73.832 -1.704 -4.518 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.196 -3.040 -3.707 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.453 -3.775 -4.731 1.00 1.00 H new ATOM 0 HD23 LEU X 32 71.888 -4.621 -3.271 1.00 1.00 H new ATOM 542 N LYS X 33 74.978 -3.781 0.146 1.00 1.00 N ATOM 543 CA LYS X 33 74.525 -3.593 1.517 1.00 1.00 C ATOM 544 C LYS X 33 75.560 -2.803 2.305 1.00 1.00 C ATOM 545 O LYS X 33 75.214 -1.970 3.148 1.00 1.00 O ATOM 546 CB LYS X 33 74.282 -4.948 2.182 1.00 1.00 C ATOM 547 CG LYS X 33 73.099 -5.644 1.503 1.00 1.00 C ATOM 548 CD LYS X 33 72.912 -7.035 2.111 1.00 1.00 C ATOM 549 CE LYS X 33 71.808 -7.777 1.356 1.00 1.00 C ATOM 550 NZ LYS X 33 70.489 -7.147 1.655 1.00 1.00 N ATOM 0 H LYS X 33 75.203 -4.745 -0.099 1.00 1.00 H new ATOM 0 HA LYS X 33 73.589 -3.035 1.504 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.175 -5.568 2.106 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.078 -4.813 3.244 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.192 -5.053 1.632 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.277 -5.724 0.431 1.00 1.00 H new ATOM 0 HD2 LYS X 33 73.845 -7.596 2.056 1.00 1.00 H new ATOM 0 HD3 LYS X 33 72.652 -6.950 3.166 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.003 -7.747 0.284 1.00 1.00 H new ATOM 0 HE3 LYS X 33 71.796 -8.827 1.648 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 69.724 -7.763 1.313 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.393 -7.013 2.682 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.429 -6.224 1.179 1.00 1.00 H new ATOM 564 N PHE X 34 76.837 -3.085 2.039 1.00 1.00 N ATOM 565 CA PHE X 34 77.906 -2.410 2.735 1.00 1.00 C ATOM 566 C PHE X 34 77.915 -0.912 2.423 1.00 1.00 C ATOM 567 O PHE X 34 78.104 -0.076 3.308 1.00 1.00 O ATOM 568 CB PHE X 34 79.262 -3.025 2.374 1.00 1.00 C ATOM 569 CG PHE X 34 80.390 -2.175 2.951 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.217 -1.492 4.160 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.603 -2.074 2.256 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.256 -0.707 4.675 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.641 -1.290 2.771 1.00 1.00 C ATOM 574 CZ PHE X 34 82.468 -0.607 3.981 1.00 1.00 C ATOM 0 H PHE X 34 77.143 -3.772 1.350 1.00 1.00 H new ATOM 0 HA PHE X 34 77.732 -2.537 3.803 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.325 -4.041 2.764 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.363 -3.092 1.291 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.283 -1.570 4.696 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.736 -2.601 1.323 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.122 -0.179 5.607 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.576 -1.212 2.235 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.270 -0.003 4.379 1.00 1.00 H new ATOM 584 N PHE X 35 77.714 -0.585 1.151 1.00 1.00 N ATOM 585 CA PHE X 35 77.702 0.807 0.720 1.00 1.00 C ATOM 586 C PHE X 35 76.566 1.564 1.397 1.00 1.00 C ATOM 587 O PHE X 35 76.708 2.732 1.752 1.00 1.00 O ATOM 588 CB PHE X 35 77.542 0.887 -0.800 1.00 1.00 C ATOM 589 CG PHE X 35 78.801 1.457 -1.413 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.223 2.745 -1.062 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.543 0.704 -2.331 1.00 1.00 C ATOM 592 CE1 PHE X 35 80.386 3.279 -1.628 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.706 1.239 -2.898 1.00 1.00 C ATOM 594 CZ PHE X 35 81.127 2.527 -2.547 1.00 1.00 C ATOM 0 H PHE X 35 77.558 -1.262 0.404 1.00 1.00 H new ATOM 0 HA PHE X 35 78.650 1.264 1.005 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.344 -0.104 -1.208 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.686 1.513 -1.053 1.00 1.00 H new ATOM 0 HD1 PHE X 35 78.651 3.326 -0.354 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.218 -0.290 -2.602 1.00 1.00 H new ATOM 0 HE1 PHE X 35 80.712 4.272 -1.356 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.278 0.658 -3.606 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.023 2.940 -2.985 1.00 1.00 H new ATOM 604 N ASP X 36 75.438 0.890 1.576 1.00 1.00 N ATOM 605 CA ASP X 36 74.290 1.509 2.220 1.00 1.00 C ATOM 606 C ASP X 36 74.516 1.606 3.726 1.00 1.00 C ATOM 607 O ASP X 36 74.004 2.512 4.382 1.00 1.00 O ATOM 608 CB ASP X 36 73.024 0.693 1.937 1.00 1.00 C ATOM 609 CG ASP X 36 72.451 1.051 0.558 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.846 2.077 0.029 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.640 0.293 0.053 1.00 1.00 O ATOM 0 H ASP X 36 75.295 -0.078 1.287 1.00 1.00 H new ATOM 0 HA ASP X 36 74.165 2.514 1.816 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.254 -0.372 1.977 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.279 0.887 2.709 1.00 1.00 H new ATOM 616 N PHE X 37 75.270 0.654 4.271 1.00 1.00 N ATOM 617 CA PHE X 37 75.537 0.637 5.705 1.00 1.00 C ATOM 618 C PHE X 37 76.289 1.892 6.136 1.00 1.00 C ATOM 619 O PHE X 37 75.872 2.598 7.054 1.00 1.00 O ATOM 620 CB PHE X 37 76.375 -0.594 6.051 1.00 1.00 C ATOM 621 CG PHE X 37 76.674 -0.610 7.532 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.689 0.204 8.050 1.00 1.00 C ATOM 623 CD2 PHE X 37 75.931 -1.433 8.388 1.00 1.00 C ATOM 624 CE1 PHE X 37 77.962 0.195 9.423 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.203 -1.441 9.761 1.00 1.00 C ATOM 626 CZ PHE X 37 77.218 -0.627 10.278 1.00 1.00 C ATOM 0 H PHE X 37 75.702 -0.107 3.747 1.00 1.00 H new ATOM 0 HA PHE X 37 74.583 0.604 6.232 1.00 1.00 H new ATOM 0 HB2 PHE X 37 75.840 -1.501 5.769 1.00 1.00 H new ATOM 0 HB3 PHE X 37 77.305 -0.583 5.483 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.261 0.839 7.390 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.148 -2.061 7.989 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.746 0.822 9.822 1.00 1.00 H new ATOM 0 HE2 PHE X 37 75.630 -2.075 10.421 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.427 -0.633 11.338 1.00 1.00 H new ATOM 636 N VAL X 38 77.398 2.167 5.462 1.00 1.00 N ATOM 637 CA VAL X 38 78.195 3.349 5.786 1.00 1.00 C ATOM 638 C VAL X 38 77.402 4.619 5.493 1.00 1.00 C ATOM 639 O VAL X 38 77.451 5.577 6.248 1.00 1.00 O ATOM 640 CB VAL X 38 79.490 3.357 4.969 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.155 3.389 3.482 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.323 4.594 5.329 1.00 1.00 C ATOM 0 H VAL X 38 77.764 1.599 4.698 1.00 1.00 H new ATOM 0 HA VAL X 38 78.441 3.316 6.847 1.00 1.00 H new ATOM 0 HB VAL X 38 80.062 2.457 5.196 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.077 3.395 2.901 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.568 2.508 3.222 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.580 4.287 3.258 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.243 4.595 4.745 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.751 5.495 5.107 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.567 4.572 6.391 1.00 1.00 H new ATOM 652 N LYS X 39 76.691 4.627 4.380 1.00 1.00 N ATOM 653 CA LYS X 39 75.910 5.798 3.997 1.00 1.00 C ATOM 654 C LYS X 39 74.831 6.090 5.030 1.00 1.00 C ATOM 655 O LYS X 39 74.378 7.227 5.163 1.00 1.00 O ATOM 656 CB LYS X 39 75.263 5.566 2.628 1.00 1.00 C ATOM 657 CG LYS X 39 76.289 5.811 1.517 1.00 1.00 C ATOM 658 CD LYS X 39 76.292 7.294 1.136 1.00 1.00 C ATOM 659 CE LYS X 39 77.333 7.538 0.044 1.00 1.00 C ATOM 660 NZ LYS X 39 77.307 8.974 -0.352 1.00 1.00 N ATOM 0 H LYS X 39 76.635 3.845 3.728 1.00 1.00 H new ATOM 0 HA LYS X 39 76.580 6.656 3.943 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.882 4.547 2.564 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.411 6.234 2.501 1.00 1.00 H new ATOM 0 HG2 LYS X 39 77.281 5.510 1.852 1.00 1.00 H new ATOM 0 HG3 LYS X 39 76.048 5.202 0.646 1.00 1.00 H new ATOM 0 HD2 LYS X 39 75.304 7.592 0.785 1.00 1.00 H new ATOM 0 HD3 LYS X 39 76.517 7.905 2.010 1.00 1.00 H new ATOM 0 HE2 LYS X 39 78.325 7.267 0.405 1.00 1.00 H new ATOM 0 HE3 LYS X 39 77.125 6.907 -0.820 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 78.015 9.142 -1.095 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 76.362 9.218 -0.712 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 77.526 9.566 0.475 1.00 1.00 H new ATOM 674 N ASP X 40 74.412 5.055 5.743 1.00 1.00 N ATOM 675 CA ASP X 40 73.369 5.210 6.750 1.00 1.00 C ATOM 676 C ASP X 40 73.901 5.934 7.983 1.00 1.00 C ATOM 677 O ASP X 40 73.318 6.920 8.434 1.00 1.00 O ATOM 678 CB ASP X 40 72.834 3.837 7.163 1.00 1.00 C ATOM 679 CG ASP X 40 72.070 3.204 6.008 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.676 3.933 5.112 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.894 1.997 6.031 1.00 1.00 O ATOM 0 H ASP X 40 74.773 4.106 5.646 1.00 1.00 H new ATOM 0 HA ASP X 40 72.566 5.805 6.315 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.660 3.191 7.461 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.180 3.938 8.029 1.00 1.00 H new ATOM 686 N THR X 41 75.004 5.434 8.527 1.00 1.00 N ATOM 687 CA THR X 41 75.595 6.040 9.715 1.00 1.00 C ATOM 688 C THR X 41 76.745 6.971 9.341 1.00 1.00 C ATOM 689 O THR X 41 77.325 7.631 10.201 1.00 1.00 O ATOM 690 CB THR X 41 76.109 4.947 10.656 1.00 1.00 C ATOM 691 OG1 THR X 41 77.266 4.343 10.092 1.00 1.00 O ATOM 692 CG2 THR X 41 75.023 3.885 10.847 1.00 1.00 C ATOM 0 H THR X 41 75.503 4.619 8.170 1.00 1.00 H new ATOM 0 HA THR X 41 74.824 6.625 10.216 1.00 1.00 H new ATOM 0 HB THR X 41 76.361 5.387 11.621 1.00 1.00 H new ATOM 0 HG1 THR X 41 77.597 3.644 10.694 1.00 1.00 H new ATOM 0 HG21 THR X 41 75.389 3.107 11.517 1.00 1.00 H new ATOM 0 HG22 THR X 41 74.135 4.347 11.278 1.00 1.00 H new ATOM 0 HG23 THR X 41 74.771 3.444 9.882 1.00 1.00 H new ATOM 700 N CYS X 42 77.079 7.008 8.060 1.00 1.00 N ATOM 701 CA CYS X 42 78.168 7.850 7.589 1.00 1.00 C ATOM 702 C CYS X 42 77.862 8.382 6.186 1.00 1.00 C ATOM 703 O CYS X 42 78.295 7.813 5.183 1.00 1.00 O ATOM 704 CB CYS X 42 79.471 7.053 7.567 1.00 1.00 C ATOM 705 SG CYS X 42 80.500 7.546 8.969 1.00 1.00 S ATOM 0 H CYS X 42 76.614 6.467 7.331 1.00 1.00 H new ATOM 0 HA CYS X 42 78.275 8.695 8.270 1.00 1.00 H new ATOM 0 HB2 CYS X 42 79.258 5.985 7.616 1.00 1.00 H new ATOM 0 HB3 CYS X 42 80.002 7.230 6.632 1.00 1.00 H new ATOM 0 HG CYS X 42 80.766 8.816 8.887 1.00 1.00 H new ATOM 711 N PRO X 43 77.120 9.453 6.100 1.00 1.00 N ATOM 712 CA PRO X 43 76.749 10.068 4.794 1.00 1.00 C ATOM 713 C PRO X 43 77.983 10.374 3.947 1.00 1.00 C ATOM 714 O PRO X 43 77.972 10.187 2.730 1.00 1.00 O ATOM 715 CB PRO X 43 76.027 11.357 5.191 1.00 1.00 C ATOM 716 CG PRO X 43 75.550 11.138 6.588 1.00 1.00 C ATOM 717 CD PRO X 43 76.550 10.191 7.235 1.00 1.00 C ATOM 0 HA PRO X 43 76.135 9.406 4.183 1.00 1.00 H new ATOM 0 HB2 PRO X 43 76.698 12.214 5.136 1.00 1.00 H new ATOM 0 HB3 PRO X 43 75.193 11.561 4.520 1.00 1.00 H new ATOM 0 HG2 PRO X 43 75.497 12.080 7.133 1.00 1.00 H new ATOM 0 HG3 PRO X 43 74.548 10.709 6.594 1.00 1.00 H new ATOM 0 HD2 PRO X 43 77.318 10.735 7.785 1.00 1.00 H new ATOM 0 HD3 PRO X 43 76.065 9.521 7.945 1.00 1.00 H new ATOM 725 N TRP X 44 79.045 10.837 4.604 1.00 1.00 N ATOM 726 CA TRP X 44 80.279 11.162 3.915 1.00 1.00 C ATOM 727 C TRP X 44 80.941 9.897 3.397 1.00 1.00 C ATOM 728 O TRP X 44 80.329 8.831 3.372 1.00 1.00 O ATOM 729 CB TRP X 44 81.233 11.886 4.864 1.00 1.00 C ATOM 730 CG TRP X 44 81.299 11.145 6.158 1.00 1.00 C ATOM 731 CD1 TRP X 44 81.962 9.982 6.355 1.00 1.00 C ATOM 732 CD2 TRP X 44 80.694 11.492 7.437 1.00 1.00 C ATOM 733 NE1 TRP X 44 81.802 9.593 7.672 1.00 1.00 N ATOM 734 CE2 TRP X 44 81.028 10.492 8.380 1.00 1.00 C ATOM 735 CE3 TRP X 44 79.895 12.568 7.866 1.00 1.00 C ATOM 736 CZ2 TRP X 44 80.585 10.556 9.702 1.00 1.00 C ATOM 737 CZ3 TRP X 44 79.447 12.636 9.196 1.00 1.00 C ATOM 738 CH2 TRP X 44 79.793 11.632 10.112 1.00 1.00 C ATOM 0 H TRP X 44 79.070 10.993 5.612 1.00 1.00 H new ATOM 0 HA TRP X 44 80.045 11.813 3.072 1.00 1.00 H new ATOM 0 HB2 TRP X 44 82.226 11.953 4.419 1.00 1.00 H new ATOM 0 HB3 TRP X 44 80.890 12.907 5.033 1.00 1.00 H new ATOM 0 HD1 TRP X 44 82.525 9.445 5.606 1.00 1.00 H new ATOM 0 HE1 TRP X 44 82.206 8.746 8.072 1.00 1.00 H new ATOM 0 HE3 TRP X 44 79.624 13.347 7.168 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 80.852 9.779 10.403 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 78.833 13.466 9.514 1.00 1.00 H new ATOM 0 HH2 TRP X 44 79.448 11.690 11.134 1.00 1.00 H new ATOM 749 N PHE X 45 82.181 10.030 2.960 1.00 1.00 N ATOM 750 CA PHE X 45 82.923 8.905 2.406 1.00 1.00 C ATOM 751 C PHE X 45 84.091 9.402 1.554 1.00 1.00 C ATOM 752 O PHE X 45 85.243 9.026 1.783 1.00 1.00 O ATOM 753 CB PHE X 45 81.996 8.028 1.537 1.00 1.00 C ATOM 754 CG PHE X 45 82.783 7.405 0.400 1.00 1.00 C ATOM 755 CD1 PHE X 45 84.019 6.801 0.663 1.00 1.00 C ATOM 756 CD2 PHE X 45 82.279 7.428 -0.906 1.00 1.00 C ATOM 757 CE1 PHE X 45 84.752 6.222 -0.381 1.00 1.00 C ATOM 758 CE2 PHE X 45 83.011 6.848 -1.950 1.00 1.00 C ATOM 759 CZ PHE X 45 84.247 6.246 -1.687 1.00 1.00 C ATOM 0 H PHE X 45 82.699 10.908 2.977 1.00 1.00 H new ATOM 0 HA PHE X 45 83.310 8.312 3.235 1.00 1.00 H new ATOM 0 HB2 PHE X 45 81.544 7.246 2.148 1.00 1.00 H new ATOM 0 HB3 PHE X 45 81.181 8.632 1.138 1.00 1.00 H new ATOM 0 HD1 PHE X 45 84.407 6.782 1.671 1.00 1.00 H new ATOM 0 HD2 PHE X 45 81.326 7.893 -1.109 1.00 1.00 H new ATOM 0 HE1 PHE X 45 85.706 5.757 -0.179 1.00 1.00 H new ATOM 0 HE2 PHE X 45 82.622 6.865 -2.957 1.00 1.00 H new ATOM 0 HZ PHE X 45 84.812 5.800 -2.492 1.00 1.00 H new ATOM 769 N PRO X 46 83.814 10.207 0.561 1.00 1.00 N ATOM 770 CA PRO X 46 84.860 10.736 -0.362 1.00 1.00 C ATOM 771 C PRO X 46 85.949 11.503 0.375 1.00 1.00 C ATOM 772 O PRO X 46 85.673 12.224 1.332 1.00 1.00 O ATOM 773 CB PRO X 46 84.068 11.664 -1.295 1.00 1.00 C ATOM 774 CG PRO X 46 82.811 11.972 -0.560 1.00 1.00 C ATOM 775 CD PRO X 46 82.484 10.714 0.192 1.00 1.00 C ATOM 0 HA PRO X 46 85.390 9.940 -0.885 1.00 1.00 H new ATOM 0 HB2 PRO X 46 84.628 12.573 -1.516 1.00 1.00 H new ATOM 0 HB3 PRO X 46 83.858 11.179 -2.248 1.00 1.00 H new ATOM 0 HG2 PRO X 46 82.947 12.814 0.119 1.00 1.00 H new ATOM 0 HG3 PRO X 46 82.008 12.242 -1.246 1.00 1.00 H new ATOM 0 HD2 PRO X 46 81.869 10.914 1.069 1.00 1.00 H new ATOM 0 HD3 PRO X 46 81.936 10.003 -0.426 1.00 1.00 H new ATOM 783 N GLN X 47 87.188 11.342 -0.079 1.00 1.00 N ATOM 784 CA GLN X 47 88.312 12.025 0.546 1.00 1.00 C ATOM 785 C GLN X 47 89.460 12.170 -0.446 1.00 1.00 C ATOM 786 O GLN X 47 89.571 11.392 -1.394 1.00 1.00 O ATOM 787 CB GLN X 47 88.785 11.244 1.773 1.00 1.00 C ATOM 788 CG GLN X 47 89.771 12.097 2.574 1.00 1.00 C ATOM 789 CD GLN X 47 90.163 11.376 3.857 1.00 1.00 C ATOM 790 OE1 GLN X 47 89.458 10.470 4.302 1.00 1.00 O ATOM 791 NE2 GLN X 47 91.254 11.724 4.485 1.00 1.00 N ATOM 0 H GLN X 47 87.437 10.749 -0.871 1.00 1.00 H new ATOM 0 HA GLN X 47 87.986 13.017 0.858 1.00 1.00 H new ATOM 0 HB2 GLN X 47 87.932 10.974 2.396 1.00 1.00 H new ATOM 0 HB3 GLN X 47 89.261 10.314 1.463 1.00 1.00 H new ATOM 0 HG2 GLN X 47 90.659 12.299 1.975 1.00 1.00 H new ATOM 0 HG3 GLN X 47 89.321 13.061 2.812 1.00 1.00 H new ATOM 0 HE21 GLN X 47 91.838 12.475 4.116 1.00 1.00 H new ATOM 0 HE22 GLN X 47 91.522 11.245 5.345 1.00 1.00 H new ATOM 800 N GLU X 48 90.309 13.168 -0.222 1.00 1.00 N ATOM 801 CA GLU X 48 91.450 13.409 -1.102 1.00 1.00 C ATOM 802 C GLU X 48 92.758 13.090 -0.387 1.00 1.00 C ATOM 803 O GLU X 48 92.800 12.998 0.841 1.00 1.00 O ATOM 804 CB GLU X 48 91.455 14.868 -1.558 1.00 1.00 C ATOM 805 CG GLU X 48 90.268 15.117 -2.492 1.00 1.00 C ATOM 806 CD GLU X 48 90.188 16.597 -2.849 1.00 1.00 C ATOM 807 OE1 GLU X 48 90.950 17.365 -2.284 1.00 1.00 O ATOM 808 OE2 GLU X 48 89.367 16.941 -3.684 1.00 1.00 O ATOM 0 H GLU X 48 90.230 13.821 0.558 1.00 1.00 H new ATOM 0 HA GLU X 48 91.360 12.757 -1.971 1.00 1.00 H new ATOM 0 HB2 GLU X 48 91.396 15.530 -0.694 1.00 1.00 H new ATOM 0 HB3 GLU X 48 92.389 15.096 -2.071 1.00 1.00 H new ATOM 0 HG2 GLU X 48 90.376 14.521 -3.398 1.00 1.00 H new ATOM 0 HG3 GLU X 48 89.343 14.800 -2.011 1.00 1.00 H new ATOM 815 N GLY X 49 93.823 12.916 -1.164 1.00 1.00 N ATOM 816 CA GLY X 49 95.130 12.603 -0.596 1.00 1.00 C ATOM 817 C GLY X 49 95.393 11.099 -0.627 1.00 1.00 C ATOM 818 O GLY X 49 95.452 10.493 -1.695 1.00 1.00 O ATOM 0 H GLY X 49 93.807 12.986 -2.181 1.00 1.00 H new ATOM 0 HA2 GLY X 49 95.908 13.124 -1.155 1.00 1.00 H new ATOM 0 HA3 GLY X 49 95.180 12.964 0.431 1.00 1.00 H new ATOM 822 N THR X 50 95.540 10.506 0.551 1.00 1.00 N ATOM 823 CA THR X 50 95.789 9.075 0.661 1.00 1.00 C ATOM 824 C THR X 50 94.566 8.294 0.213 1.00 1.00 C ATOM 825 O THR X 50 93.495 8.870 0.025 1.00 1.00 O ATOM 826 CB THR X 50 96.137 8.705 2.101 1.00 1.00 C ATOM 827 OG1 THR X 50 95.210 9.323 2.983 1.00 1.00 O ATOM 828 CG2 THR X 50 97.554 9.176 2.426 1.00 1.00 C ATOM 0 H THR X 50 95.491 10.995 1.445 1.00 1.00 H new ATOM 0 HA THR X 50 96.631 8.821 0.017 1.00 1.00 H new ATOM 0 HB THR X 50 96.085 7.623 2.221 1.00 1.00 H new ATOM 0 HG1 THR X 50 95.430 9.086 3.908 1.00 1.00 H new ATOM 0 HG21 THR X 50 97.799 8.910 3.454 1.00 1.00 H new ATOM 0 HG22 THR X 50 98.261 8.696 1.749 1.00 1.00 H new ATOM 0 HG23 THR X 50 97.614 10.258 2.307 1.00 1.00 H new ATOM 836 N ILE X 51 94.742 6.988 0.018 1.00 1.00 N ATOM 837 CA ILE X 51 93.647 6.128 -0.435 1.00 1.00 C ATOM 838 C ILE X 51 92.327 6.604 0.157 1.00 1.00 C ATOM 839 O ILE X 51 92.097 6.505 1.363 1.00 1.00 O ATOM 840 CB ILE X 51 93.911 4.685 0.009 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.980 4.054 -0.884 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.618 3.875 -0.101 1.00 1.00 C ATOM 843 CD1 ILE X 51 96.009 3.325 -0.024 1.00 1.00 C ATOM 0 H ILE X 51 95.627 6.503 0.165 1.00 1.00 H new ATOM 0 HA ILE X 51 93.588 6.174 -1.522 1.00 1.00 H new ATOM 0 HB ILE X 51 94.259 4.686 1.042 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.518 3.357 -1.583 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.470 4.824 -1.479 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.804 2.848 0.214 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.855 4.319 0.539 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.272 3.880 -1.135 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.768 2.877 -0.666 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.481 4.033 0.657 1.00 1.00 H new ATOM 0 HD13 ILE X 51 95.514 2.543 0.552 1.00 1.00 H new ATOM 855 N ASP X 52 91.472 7.143 -0.710 1.00 1.00 N ATOM 856 CA ASP X 52 90.182 7.662 -0.269 1.00 1.00 C ATOM 857 C ASP X 52 89.358 6.565 0.393 1.00 1.00 C ATOM 858 O ASP X 52 88.690 6.800 1.399 1.00 1.00 O ATOM 859 CB ASP X 52 89.412 8.232 -1.462 1.00 1.00 C ATOM 860 CG ASP X 52 88.078 8.798 -0.999 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.763 8.638 0.169 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.390 9.386 -1.816 1.00 1.00 O ATOM 0 H ASP X 52 91.647 7.231 -1.711 1.00 1.00 H new ATOM 0 HA ASP X 52 90.362 8.453 0.459 1.00 1.00 H new ATOM 0 HB2 ASP X 52 90.000 9.013 -1.945 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.247 7.452 -2.205 1.00 1.00 H new ATOM 867 N ILE X 53 89.414 5.370 -0.177 1.00 1.00 N ATOM 868 CA ILE X 53 88.671 4.239 0.364 1.00 1.00 C ATOM 869 C ILE X 53 89.058 3.985 1.817 1.00 1.00 C ATOM 870 O ILE X 53 88.323 3.341 2.565 1.00 1.00 O ATOM 871 CB ILE X 53 88.945 2.989 -0.464 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.370 3.184 -1.869 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.278 1.784 0.197 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.842 2.051 -2.775 1.00 1.00 C ATOM 0 H ILE X 53 89.963 5.158 -1.010 1.00 1.00 H new ATOM 0 HA ILE X 53 87.608 4.476 0.321 1.00 1.00 H new ATOM 0 HB ILE X 53 90.020 2.817 -0.527 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.281 3.201 -1.828 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.689 4.144 -2.274 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.474 0.890 -0.395 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.681 1.650 1.201 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.203 1.951 0.257 1.00 1.00 H new ATOM 0 HD11 ILE X 53 88.432 2.190 -3.775 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.931 2.055 -2.825 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.501 1.097 -2.373 1.00 1.00 H new ATOM 886 N LYS X 54 90.217 4.494 2.209 1.00 1.00 N ATOM 887 CA LYS X 54 90.700 4.310 3.572 1.00 1.00 C ATOM 888 C LYS X 54 89.635 4.753 4.570 1.00 1.00 C ATOM 889 O LYS X 54 89.397 4.080 5.570 1.00 1.00 O ATOM 890 CB LYS X 54 91.976 5.132 3.790 1.00 1.00 C ATOM 891 CG LYS X 54 92.542 4.842 5.182 1.00 1.00 C ATOM 892 CD LYS X 54 93.851 5.610 5.373 1.00 1.00 C ATOM 893 CE LYS X 54 94.432 5.293 6.753 1.00 1.00 C ATOM 894 NZ LYS X 54 95.653 6.117 6.979 1.00 1.00 N ATOM 0 H LYS X 54 90.838 5.035 1.607 1.00 1.00 H new ATOM 0 HA LYS X 54 90.919 3.253 3.726 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.715 4.885 3.027 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.757 6.195 3.689 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.822 5.134 5.947 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.716 3.772 5.300 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.563 5.335 4.595 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.674 6.681 5.279 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.693 5.499 7.527 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.678 4.233 6.821 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.048 5.902 7.917 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.359 5.899 6.247 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.405 7.126 6.931 1.00 1.00 H new ATOM 908 N ARG X 55 88.993 5.876 4.285 1.00 1.00 N ATOM 909 CA ARG X 55 87.951 6.390 5.160 1.00 1.00 C ATOM 910 C ARG X 55 86.749 5.450 5.163 1.00 1.00 C ATOM 911 O ARG X 55 86.122 5.233 6.211 1.00 1.00 O ATOM 912 CB ARG X 55 87.516 7.783 4.704 1.00 1.00 C ATOM 913 CG ARG X 55 86.507 8.362 5.700 1.00 1.00 C ATOM 914 CD ARG X 55 86.105 9.771 5.260 1.00 1.00 C ATOM 915 NE ARG X 55 87.261 10.661 5.307 1.00 1.00 N ATOM 916 CZ ARG X 55 87.652 11.222 6.447 1.00 1.00 C ATOM 917 NH1 ARG X 55 86.995 10.984 7.550 1.00 1.00 N ATOM 918 NH2 ARG X 55 88.691 12.011 6.463 1.00 1.00 N ATOM 0 H ARG X 55 89.174 6.446 3.459 1.00 1.00 H new ATOM 0 HA ARG X 55 88.352 6.456 6.171 1.00 1.00 H new ATOM 0 HB2 ARG X 55 88.384 8.439 4.628 1.00 1.00 H new ATOM 0 HB3 ARG X 55 87.070 7.728 3.711 1.00 1.00 H new ATOM 0 HG2 ARG X 55 85.626 7.722 5.755 1.00 1.00 H new ATOM 0 HG3 ARG X 55 86.942 8.392 6.699 1.00 1.00 H new ATOM 0 HD2 ARG X 55 85.699 9.743 4.249 1.00 1.00 H new ATOM 0 HD3 ARG X 55 85.317 10.152 5.909 1.00 1.00 H new ATOM 0 HE ARG X 55 87.778 10.856 4.450 1.00 1.00 H new ATOM 0 HH11 ARG X 55 86.182 10.368 7.537 1.00 1.00 H new ATOM 0 HH12 ARG X 55 87.295 11.414 8.425 1.00 1.00 H new ATOM 0 HH21 ARG X 55 89.203 12.197 5.601 1.00 1.00 H new ATOM 0 HH22 ARG X 55 88.991 12.441 7.338 1.00 1.00 H new ATOM 932 N TRP X 56 86.417 4.901 3.986 1.00 1.00 N ATOM 933 CA TRP X 56 85.282 4.016 3.887 1.00 1.00 C ATOM 934 C TRP X 56 85.508 2.746 4.714 1.00 1.00 C ATOM 935 O TRP X 56 84.604 2.242 5.384 1.00 1.00 O ATOM 936 CB TRP X 56 85.043 3.645 2.417 1.00 1.00 C ATOM 937 CG TRP X 56 83.834 2.766 2.293 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.881 2.622 3.242 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.435 1.914 1.180 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.924 1.735 2.784 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.221 1.271 1.519 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.004 1.638 -0.076 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.593 0.386 0.642 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.376 0.747 -0.961 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.172 0.123 -0.603 1.00 1.00 C ATOM 0 H TRP X 56 86.918 5.059 3.112 1.00 1.00 H new ATOM 0 HA TRP X 56 84.405 4.531 4.280 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.906 4.549 1.824 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.917 3.131 2.018 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.869 3.119 4.201 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.099 1.458 3.316 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.930 2.114 -0.362 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.666 -0.092 0.923 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.822 0.541 -1.923 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.693 -0.560 -1.289 1.00 1.00 H new ATOM 956 N ARG X 57 86.721 2.224 4.642 1.00 1.00 N ATOM 957 CA ARG X 57 87.067 1.012 5.371 1.00 1.00 C ATOM 958 C ARG X 57 87.206 1.299 6.855 1.00 1.00 C ATOM 959 O ARG X 57 86.974 0.432 7.683 1.00 1.00 O ATOM 960 CB ARG X 57 88.366 0.421 4.831 1.00 1.00 C ATOM 961 CG ARG X 57 88.048 -0.623 3.758 1.00 1.00 C ATOM 962 CD ARG X 57 87.126 -0.016 2.705 1.00 1.00 C ATOM 963 NE ARG X 57 87.462 -0.516 1.377 1.00 1.00 N ATOM 964 CZ ARG X 57 86.524 -0.759 0.467 1.00 1.00 C ATOM 965 NH1 ARG X 57 85.268 -0.559 0.757 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.860 -1.200 -0.714 1.00 1.00 N ATOM 0 H ARG X 57 87.482 2.618 4.088 1.00 1.00 H new ATOM 0 HA ARG X 57 86.263 0.289 5.231 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.990 1.210 4.411 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.934 -0.037 5.641 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.970 -0.971 3.291 1.00 1.00 H new ATOM 0 HG3 ARG X 57 87.573 -1.493 4.213 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.089 -0.258 2.939 1.00 1.00 H new ATOM 0 HD3 ARG X 57 87.211 1.071 2.722 1.00 1.00 H new ATOM 0 HE ARG X 57 88.440 -0.683 1.141 1.00 1.00 H new ATOM 0 HH11 ARG X 57 85.006 -0.216 1.681 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.548 -0.745 0.059 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.842 -1.358 -0.939 1.00 1.00 H new ATOM 0 HH22 ARG X 57 86.140 -1.387 -1.412 1.00 1.00 H new ATOM 980 N ARG X 58 87.608 2.519 7.186 1.00 1.00 N ATOM 981 CA ARG X 58 87.785 2.897 8.584 1.00 1.00 C ATOM 982 C ARG X 58 86.478 2.752 9.351 1.00 1.00 C ATOM 983 O ARG X 58 86.445 2.162 10.431 1.00 1.00 O ATOM 984 CB ARG X 58 88.267 4.348 8.670 1.00 1.00 C ATOM 985 CG ARG X 58 89.797 4.386 8.666 1.00 1.00 C ATOM 986 CD ARG X 58 90.274 5.840 8.711 1.00 1.00 C ATOM 987 NE ARG X 58 91.722 5.893 8.866 1.00 1.00 N ATOM 988 CZ ARG X 58 92.330 7.012 9.247 1.00 1.00 C ATOM 989 NH1 ARG X 58 91.631 8.092 9.472 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.626 7.032 9.396 1.00 1.00 N ATOM 0 H ARG X 58 87.816 3.258 6.514 1.00 1.00 H new ATOM 0 HA ARG X 58 88.528 2.235 9.029 1.00 1.00 H new ATOM 0 HB2 ARG X 58 87.877 4.921 7.828 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.885 4.815 9.578 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.187 3.838 9.524 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.181 3.894 7.772 1.00 1.00 H new ATOM 0 HD2 ARG X 58 89.980 6.355 7.796 1.00 1.00 H new ATOM 0 HD3 ARG X 58 89.794 6.362 9.539 1.00 1.00 H new ATOM 0 HE ARG X 58 92.278 5.058 8.679 1.00 1.00 H new ATOM 0 HH11 ARG X 58 90.618 8.077 9.355 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.098 8.950 9.764 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.173 6.189 9.220 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.093 7.891 9.688 1.00 1.00 H new ATOM 1004 N VAL X 59 85.400 3.277 8.782 1.00 1.00 N ATOM 1005 CA VAL X 59 84.093 3.184 9.424 1.00 1.00 C ATOM 1006 C VAL X 59 83.619 1.736 9.462 1.00 1.00 C ATOM 1007 O VAL X 59 83.147 1.256 10.486 1.00 1.00 O ATOM 1008 CB VAL X 59 83.077 4.035 8.656 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.704 3.926 9.322 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.527 5.496 8.659 1.00 1.00 C ATOM 0 H VAL X 59 85.403 3.767 7.887 1.00 1.00 H new ATOM 0 HA VAL X 59 84.181 3.553 10.446 1.00 1.00 H new ATOM 0 HB VAL X 59 83.011 3.675 7.629 1.00 1.00 H new ATOM 0 HG11 VAL X 59 80.984 4.533 8.773 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.379 2.885 9.318 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.769 4.282 10.350 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.803 6.101 8.112 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.596 5.853 9.686 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.503 5.577 8.180 1.00 1.00 H new ATOM 1020 N GLY X 60 83.748 1.047 8.340 1.00 1.00 N ATOM 1021 CA GLY X 60 83.323 -0.338 8.256 1.00 1.00 C ATOM 1022 C GLY X 60 84.150 -1.215 9.184 1.00 1.00 C ATOM 1023 O GLY X 60 83.624 -2.028 9.906 1.00 1.00 O ATOM 0 H GLY X 60 84.142 1.424 7.478 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.268 -0.416 8.519 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.422 -0.692 7.230 1.00 1.00 H new ATOM 1027 N ASP X 61 85.448 -1.042 9.161 1.00 1.00 N ATOM 1028 CA ASP X 61 86.329 -1.840 10.005 1.00 1.00 C ATOM 1029 C ASP X 61 85.902 -1.755 11.463 1.00 1.00 C ATOM 1030 O ASP X 61 85.843 -2.766 12.164 1.00 1.00 O ATOM 1031 CB ASP X 61 87.771 -1.338 9.871 1.00 1.00 C ATOM 1032 CG ASP X 61 88.326 -1.708 8.502 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.690 -2.496 7.820 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.379 -1.199 8.154 1.00 1.00 O ATOM 0 H ASP X 61 85.926 -0.360 8.572 1.00 1.00 H new ATOM 0 HA ASP X 61 86.267 -2.878 9.679 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.802 -0.257 10.005 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.391 -1.774 10.654 1.00 1.00 H new ATOM 1039 N CYS X 62 85.614 -0.542 11.917 1.00 1.00 N ATOM 1040 CA CYS X 62 85.204 -0.346 13.308 1.00 1.00 C ATOM 1041 C CYS X 62 83.795 -0.892 13.549 1.00 1.00 C ATOM 1042 O CYS X 62 83.570 -1.717 14.444 1.00 1.00 O ATOM 1043 CB CYS X 62 85.236 1.145 13.648 1.00 1.00 C ATOM 1044 SG CYS X 62 86.920 1.626 14.101 1.00 1.00 S ATOM 0 H CYS X 62 85.654 0.309 11.357 1.00 1.00 H new ATOM 0 HA CYS X 62 85.899 -0.889 13.948 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.897 1.731 12.794 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.553 1.356 14.471 1.00 1.00 H new ATOM 0 HG CYS X 62 86.947 2.894 14.388 1.00 1.00 H new ATOM 1050 N PHE X 63 82.843 -0.410 12.758 1.00 1.00 N ATOM 1051 CA PHE X 63 81.462 -0.840 12.908 1.00 1.00 C ATOM 1052 C PHE X 63 81.322 -2.340 12.688 1.00 1.00 C ATOM 1053 O PHE X 63 80.760 -3.041 13.516 1.00 1.00 O ATOM 1054 CB PHE X 63 80.570 -0.099 11.909 1.00 1.00 C ATOM 1055 CG PHE X 63 80.041 1.167 12.541 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.836 1.142 13.253 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.754 2.365 12.415 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.344 2.314 13.839 1.00 1.00 C ATOM 1059 CE2 PHE X 63 80.262 3.538 13.001 1.00 1.00 C ATOM 1060 CZ PHE X 63 79.057 3.512 13.713 1.00 1.00 C ATOM 0 H PHE X 63 83.001 0.271 12.015 1.00 1.00 H new ATOM 0 HA PHE X 63 81.151 -0.608 13.927 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.137 0.141 11.009 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.742 -0.738 11.603 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.286 0.218 13.350 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.684 2.385 11.866 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.414 2.294 14.388 1.00 1.00 H new ATOM 0 HE2 PHE X 63 80.812 4.462 12.904 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.677 4.416 14.165 1.00 1.00 H new ATOM 1070 N GLN X 64 81.835 -2.821 11.569 1.00 1.00 N ATOM 1071 CA GLN X 64 81.758 -4.242 11.242 1.00 1.00 C ATOM 1072 C GLN X 64 82.314 -5.084 12.379 1.00 1.00 C ATOM 1073 O GLN X 64 81.834 -6.176 12.632 1.00 1.00 O ATOM 1074 CB GLN X 64 82.553 -4.531 9.967 1.00 1.00 C ATOM 1075 CG GLN X 64 81.965 -3.728 8.800 1.00 1.00 C ATOM 1076 CD GLN X 64 83.015 -3.536 7.710 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.142 -4.012 7.843 1.00 1.00 O ATOM 1078 NE2 GLN X 64 82.714 -2.855 6.639 1.00 1.00 N ATOM 0 H GLN X 64 82.310 -2.252 10.869 1.00 1.00 H new ATOM 0 HA GLN X 64 80.710 -4.499 11.087 1.00 1.00 H new ATOM 0 HB2 GLN X 64 83.601 -4.267 10.112 1.00 1.00 H new ATOM 0 HB3 GLN X 64 82.521 -5.597 9.741 1.00 1.00 H new ATOM 0 HG2 GLN X 64 81.098 -4.247 8.392 1.00 1.00 H new ATOM 0 HG3 GLN X 64 81.618 -2.758 9.155 1.00 1.00 H new ATOM 0 HE21 GLN X 64 81.779 -2.461 6.531 1.00 1.00 H new ATOM 0 HE22 GLN X 64 83.413 -2.716 5.910 1.00 1.00 H new ATOM 1087 N ASP X 65 83.337 -4.577 13.053 1.00 1.00 N ATOM 1088 CA ASP X 65 83.950 -5.320 14.152 1.00 1.00 C ATOM 1089 C ASP X 65 82.928 -5.614 15.240 1.00 1.00 C ATOM 1090 O ASP X 65 82.802 -6.748 15.697 1.00 1.00 O ATOM 1091 CB ASP X 65 85.101 -4.510 14.747 1.00 1.00 C ATOM 1092 CG ASP X 65 85.815 -5.322 15.818 1.00 1.00 C ATOM 1093 OD1 ASP X 65 85.356 -6.413 16.113 1.00 1.00 O ATOM 1094 OD2 ASP X 65 86.812 -4.841 16.330 1.00 1.00 O ATOM 0 H ASP X 65 83.757 -3.667 12.864 1.00 1.00 H new ATOM 0 HA ASP X 65 84.327 -6.264 13.758 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.804 -4.232 13.962 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.720 -3.583 15.176 1.00 1.00 H new ATOM 1099 N TYR X 66 82.196 -4.586 15.649 1.00 1.00 N ATOM 1100 CA TYR X 66 81.176 -4.754 16.684 1.00 1.00 C ATOM 1101 C TYR X 66 79.916 -5.406 16.122 1.00 1.00 C ATOM 1102 O TYR X 66 79.334 -6.296 16.740 1.00 1.00 O ATOM 1103 CB TYR X 66 80.831 -3.398 17.295 1.00 1.00 C ATOM 1104 CG TYR X 66 79.402 -3.413 17.775 1.00 1.00 C ATOM 1105 CD1 TYR X 66 79.023 -4.247 18.833 1.00 1.00 C ATOM 1106 CD2 TYR X 66 78.452 -2.591 17.157 1.00 1.00 C ATOM 1107 CE1 TYR X 66 77.694 -4.260 19.274 1.00 1.00 C ATOM 1108 CE2 TYR X 66 77.122 -2.605 17.598 1.00 1.00 C ATOM 1109 CZ TYR X 66 76.744 -3.439 18.656 1.00 1.00 C ATOM 1110 OH TYR X 66 75.432 -3.452 19.089 1.00 1.00 O ATOM 0 H TYR X 66 82.285 -3.637 15.287 1.00 1.00 H new ATOM 0 HA TYR X 66 81.580 -5.411 17.455 1.00 1.00 H new ATOM 0 HB2 TYR X 66 81.503 -3.180 18.125 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.970 -2.608 16.557 1.00 1.00 H new ATOM 0 HD1 TYR X 66 79.756 -4.881 19.310 1.00 1.00 H new ATOM 0 HD2 TYR X 66 78.744 -1.947 16.341 1.00 1.00 H new ATOM 0 HE1 TYR X 66 77.402 -4.903 20.091 1.00 1.00 H new ATOM 0 HE2 TYR X 66 76.388 -1.972 17.121 1.00 1.00 H new ATOM 0 HH TYR X 66 74.905 -2.823 18.553 1.00 1.00 H new ATOM 1120 N TYR X 67 79.488 -4.940 14.957 1.00 1.00 N ATOM 1121 CA TYR X 67 78.285 -5.473 14.325 1.00 1.00 C ATOM 1122 C TYR X 67 78.441 -6.953 14.022 1.00 1.00 C ATOM 1123 O TYR X 67 77.551 -7.746 14.325 1.00 1.00 O ATOM 1124 CB TYR X 67 78.000 -4.704 13.023 1.00 1.00 C ATOM 1125 CG TYR X 67 76.677 -3.975 13.126 1.00 1.00 C ATOM 1126 CD1 TYR X 67 76.417 -3.153 14.228 1.00 1.00 C ATOM 1127 CD2 TYR X 67 75.711 -4.127 12.124 1.00 1.00 C ATOM 1128 CE1 TYR X 67 75.192 -2.484 14.330 1.00 1.00 C ATOM 1129 CE2 TYR X 67 74.485 -3.459 12.226 1.00 1.00 C ATOM 1130 CZ TYR X 67 74.226 -2.637 13.329 1.00 1.00 C ATOM 1131 OH TYR X 67 73.021 -1.979 13.431 1.00 1.00 O ATOM 0 H TYR X 67 79.951 -4.199 14.431 1.00 1.00 H new ATOM 0 HA TYR X 67 77.450 -5.350 15.015 1.00 1.00 H new ATOM 0 HB2 TYR X 67 78.802 -3.992 12.830 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.978 -5.396 12.181 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.162 -3.035 15.001 1.00 1.00 H new ATOM 0 HD2 TYR X 67 75.912 -4.760 11.272 1.00 1.00 H new ATOM 0 HE1 TYR X 67 74.992 -1.850 15.181 1.00 1.00 H new ATOM 0 HE2 TYR X 67 73.739 -3.578 11.454 1.00 1.00 H new ATOM 0 HH TYR X 67 72.465 -2.192 12.653 1.00 1.00 H new ATOM 1141 N ASN X 68 79.563 -7.319 13.418 1.00 1.00 N ATOM 1142 CA ASN X 68 79.816 -8.709 13.079 1.00 1.00 C ATOM 1143 C ASN X 68 80.002 -9.554 14.334 1.00 1.00 C ATOM 1144 O ASN X 68 79.447 -10.647 14.445 1.00 1.00 O ATOM 1145 CB ASN X 68 81.065 -8.810 12.205 1.00 1.00 C ATOM 1146 CG ASN X 68 80.900 -7.949 10.955 1.00 1.00 C ATOM 1147 OD1 ASN X 68 81.812 -7.864 10.134 1.00 1.00 O ATOM 1148 ND2 ASN X 68 79.782 -7.305 10.761 1.00 1.00 N ATOM 0 H ASN X 68 80.308 -6.675 13.154 1.00 1.00 H new ATOM 0 HA ASN X 68 78.953 -9.088 12.532 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.940 -8.484 12.768 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.237 -9.848 11.921 1.00 1.00 H new ATOM 0 HD21 ASN X 68 79.663 -6.730 9.927 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.027 -7.377 11.443 1.00 1.00 H new ATOM 1155 N THR X 69 80.790 -9.042 15.274 1.00 1.00 N ATOM 1156 CA THR X 69 81.052 -9.765 16.513 1.00 1.00 C ATOM 1157 C THR X 69 79.754 -10.010 17.271 1.00 1.00 C ATOM 1158 O THR X 69 79.513 -11.109 17.770 1.00 1.00 O ATOM 1159 CB THR X 69 82.016 -8.964 17.392 1.00 1.00 C ATOM 1160 OG1 THR X 69 83.257 -8.812 16.717 1.00 1.00 O ATOM 1161 CG2 THR X 69 82.246 -9.704 18.708 1.00 1.00 C ATOM 0 H THR X 69 81.255 -8.137 15.203 1.00 1.00 H new ATOM 0 HA THR X 69 81.502 -10.726 16.264 1.00 1.00 H new ATOM 0 HB THR X 69 81.587 -7.983 17.596 1.00 1.00 H new ATOM 0 HG1 THR X 69 83.428 -7.860 16.556 1.00 1.00 H new ATOM 0 HG21 THR X 69 82.933 -9.132 19.332 1.00 1.00 H new ATOM 0 HG22 THR X 69 81.296 -9.824 19.229 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.674 -10.685 18.504 1.00 1.00 H new ATOM 1169 N PHE X 70 78.923 -8.980 17.354 1.00 1.00 N ATOM 1170 CA PHE X 70 77.650 -9.093 18.051 1.00 1.00 C ATOM 1171 C PHE X 70 76.740 -10.097 17.349 1.00 1.00 C ATOM 1172 O PHE X 70 76.066 -10.899 17.999 1.00 1.00 O ATOM 1173 CB PHE X 70 76.967 -7.724 18.126 1.00 1.00 C ATOM 1174 CG PHE X 70 75.745 -7.814 19.015 1.00 1.00 C ATOM 1175 CD1 PHE X 70 75.895 -8.100 20.377 1.00 1.00 C ATOM 1176 CD2 PHE X 70 74.468 -7.613 18.477 1.00 1.00 C ATOM 1177 CE1 PHE X 70 74.767 -8.184 21.203 1.00 1.00 C ATOM 1178 CE2 PHE X 70 73.341 -7.697 19.303 1.00 1.00 C ATOM 1179 CZ PHE X 70 73.490 -7.982 20.666 1.00 1.00 C ATOM 0 H PHE X 70 79.106 -8.062 16.950 1.00 1.00 H new ATOM 0 HA PHE X 70 77.841 -9.450 19.063 1.00 1.00 H new ATOM 0 HB2 PHE X 70 77.661 -6.981 18.519 1.00 1.00 H new ATOM 0 HB3 PHE X 70 76.679 -7.395 17.128 1.00 1.00 H new ATOM 0 HD1 PHE X 70 76.880 -8.256 20.791 1.00 1.00 H new ATOM 0 HD2 PHE X 70 74.353 -7.393 17.426 1.00 1.00 H new ATOM 0 HE1 PHE X 70 74.882 -8.405 22.254 1.00 1.00 H new ATOM 0 HE2 PHE X 70 72.356 -7.542 18.889 1.00 1.00 H new ATOM 0 HZ PHE X 70 72.620 -8.046 21.303 1.00 1.00 H new ATOM 1189 N GLY X 71 76.714 -10.035 16.020 1.00 1.00 N ATOM 1190 CA GLY X 71 75.873 -10.929 15.240 1.00 1.00 C ATOM 1191 C GLY X 71 75.670 -10.399 13.825 1.00 1.00 C ATOM 1192 O GLY X 71 76.076 -11.032 12.851 1.00 1.00 O ATOM 0 H GLY X 71 77.264 -9.378 15.466 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.329 -11.918 15.199 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.906 -11.044 15.731 1.00 1.00 H new ATOM 1196 N PRO X 72 75.041 -9.260 13.697 1.00 1.00 N ATOM 1197 CA PRO X 72 74.767 -8.637 12.377 1.00 1.00 C ATOM 1198 C PRO X 72 75.934 -8.789 11.406 1.00 1.00 C ATOM 1199 O PRO X 72 76.905 -8.032 11.452 1.00 1.00 O ATOM 1200 CB PRO X 72 74.530 -7.170 12.721 1.00 1.00 C ATOM 1201 CG PRO X 72 74.071 -7.139 14.143 1.00 1.00 C ATOM 1202 CD PRO X 72 74.536 -8.438 14.799 1.00 1.00 C ATOM 0 HA PRO X 72 73.924 -9.107 11.870 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.444 -6.589 12.595 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.781 -6.733 12.061 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.487 -6.276 14.662 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.986 -7.049 14.195 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.314 -8.250 15.539 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.715 -8.934 15.317 1.00 1.00 H new ATOM 1210 N GLU X 73 75.826 -9.772 10.524 1.00 1.00 N ATOM 1211 CA GLU X 73 76.863 -10.025 9.532 1.00 1.00 C ATOM 1212 C GLU X 73 76.583 -9.250 8.252 1.00 1.00 C ATOM 1213 O GLU X 73 77.277 -9.424 7.257 1.00 1.00 O ATOM 1214 CB GLU X 73 76.953 -11.518 9.230 1.00 1.00 C ATOM 1215 CG GLU X 73 75.658 -11.981 8.557 1.00 1.00 C ATOM 1216 CD GLU X 73 75.647 -13.501 8.433 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.684 -14.102 8.660 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.599 -14.041 8.116 1.00 1.00 O ATOM 0 H GLU X 73 75.030 -10.408 10.474 1.00 1.00 H new ATOM 0 HA GLU X 73 77.816 -9.688 9.940 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.805 -11.718 8.580 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.117 -12.077 10.151 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.798 -11.649 9.139 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.569 -11.527 7.570 1.00 1.00 H new ATOM 1225 N LYS X 74 75.546 -8.419 8.277 1.00 1.00 N ATOM 1226 CA LYS X 74 75.174 -7.644 7.105 1.00 1.00 C ATOM 1227 C LYS X 74 76.409 -7.115 6.393 1.00 1.00 C ATOM 1228 O LYS X 74 76.489 -7.157 5.167 1.00 1.00 O ATOM 1229 CB LYS X 74 74.274 -6.474 7.523 1.00 1.00 C ATOM 1230 CG LYS X 74 73.980 -5.583 6.308 1.00 1.00 C ATOM 1231 CD LYS X 74 73.041 -4.452 6.714 1.00 1.00 C ATOM 1232 CE LYS X 74 72.803 -3.535 5.512 1.00 1.00 C ATOM 1233 NZ LYS X 74 71.874 -2.440 5.902 1.00 1.00 N ATOM 0 H LYS X 74 74.953 -8.267 9.093 1.00 1.00 H new ATOM 0 HA LYS X 74 74.632 -8.294 6.418 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.342 -6.852 7.942 1.00 1.00 H new ATOM 0 HB3 LYS X 74 74.761 -5.890 8.304 1.00 1.00 H new ATOM 0 HG2 LYS X 74 74.909 -5.173 5.913 1.00 1.00 H new ATOM 0 HG3 LYS X 74 73.529 -6.175 5.512 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.094 -4.860 7.068 1.00 1.00 H new ATOM 0 HD3 LYS X 74 73.472 -3.885 7.539 1.00 1.00 H new ATOM 0 HE2 LYS X 74 73.749 -3.118 5.166 1.00 1.00 H new ATOM 0 HE3 LYS X 74 72.383 -4.105 4.683 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 71.711 -1.816 5.086 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 70.969 -2.847 6.213 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 72.292 -1.891 6.680 1.00 1.00 H new ATOM 1247 N VAL X 75 77.361 -6.612 7.169 1.00 1.00 N ATOM 1248 CA VAL X 75 78.590 -6.071 6.601 1.00 1.00 C ATOM 1249 C VAL X 75 79.800 -6.829 7.147 1.00 1.00 C ATOM 1250 O VAL X 75 80.393 -6.432 8.146 1.00 1.00 O ATOM 1251 CB VAL X 75 78.711 -4.591 6.934 1.00 1.00 C ATOM 1252 CG1 VAL X 75 79.858 -3.976 6.122 1.00 1.00 C ATOM 1253 CG2 VAL X 75 77.413 -3.883 6.564 1.00 1.00 C ATOM 0 H VAL X 75 77.307 -6.567 8.187 1.00 1.00 H new ATOM 0 HA VAL X 75 78.558 -6.189 5.518 1.00 1.00 H new ATOM 0 HB VAL X 75 78.908 -4.476 8.000 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.945 -2.916 6.360 1.00 1.00 H new ATOM 0 HG12 VAL X 75 80.791 -4.481 6.370 1.00 1.00 H new ATOM 0 HG13 VAL X 75 79.654 -4.093 5.058 1.00 1.00 H new ATOM 0 HG21 VAL X 75 77.497 -2.822 6.801 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.225 -4.002 5.497 1.00 1.00 H new ATOM 0 HG23 VAL X 75 76.588 -4.317 7.129 1.00 1.00 H new ATOM 1263 N PRO X 76 80.169 -7.909 6.518 1.00 1.00 N ATOM 1264 CA PRO X 76 81.335 -8.734 6.956 1.00 1.00 C ATOM 1265 C PRO X 76 82.622 -7.916 7.036 1.00 1.00 C ATOM 1266 O PRO X 76 82.872 -7.046 6.202 1.00 1.00 O ATOM 1267 CB PRO X 76 81.442 -9.810 5.869 1.00 1.00 C ATOM 1268 CG PRO X 76 80.088 -9.876 5.243 1.00 1.00 C ATOM 1269 CD PRO X 76 79.515 -8.474 5.332 1.00 1.00 C ATOM 0 HA PRO X 76 81.196 -9.141 7.957 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.203 -9.551 5.133 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.725 -10.772 6.295 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.154 -10.205 4.206 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.452 -10.591 5.765 1.00 1.00 H new ATOM 0 HD2 PRO X 76 79.736 -7.893 4.437 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.431 -8.490 5.441 1.00 1.00 H new ATOM 1277 N VAL X 77 83.434 -8.210 8.044 1.00 1.00 N ATOM 1278 CA VAL X 77 84.699 -7.506 8.231 1.00 1.00 C ATOM 1279 C VAL X 77 85.703 -7.913 7.158 1.00 1.00 C ATOM 1280 O VAL X 77 86.681 -7.207 6.908 1.00 1.00 O ATOM 1281 CB VAL X 77 85.270 -7.807 9.617 1.00 1.00 C ATOM 1282 CG1 VAL X 77 85.444 -9.317 9.779 1.00 1.00 C ATOM 1283 CG2 VAL X 77 86.630 -7.120 9.767 1.00 1.00 C ATOM 0 H VAL X 77 83.241 -8.928 8.743 1.00 1.00 H new ATOM 0 HA VAL X 77 84.512 -6.436 8.146 1.00 1.00 H new ATOM 0 HB VAL X 77 84.587 -7.435 10.381 1.00 1.00 H new ATOM 0 HG11 VAL X 77 85.851 -9.532 10.767 1.00 1.00 H new ATOM 0 HG12 VAL X 77 84.477 -9.808 9.670 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.128 -9.688 9.016 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.039 -7.334 10.755 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.312 -7.493 9.004 1.00 1.00 H new ATOM 0 HG23 VAL X 77 86.509 -6.043 9.650 1.00 1.00 H new ATOM 1293 N THR X 78 85.461 -9.062 6.536 1.00 1.00 N ATOM 1294 CA THR X 78 86.354 -9.564 5.498 1.00 1.00 C ATOM 1295 C THR X 78 86.664 -8.468 4.478 1.00 1.00 C ATOM 1296 O THR X 78 87.585 -8.597 3.668 1.00 1.00 O ATOM 1297 CB THR X 78 85.712 -10.756 4.789 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.977 -11.525 5.729 1.00 1.00 O ATOM 1299 CG2 THR X 78 86.803 -11.626 4.161 1.00 1.00 C ATOM 0 H THR X 78 84.658 -9.660 6.731 1.00 1.00 H new ATOM 0 HA THR X 78 87.285 -9.879 5.969 1.00 1.00 H new ATOM 0 HB THR X 78 85.041 -10.396 4.009 1.00 1.00 H new ATOM 0 HG1 THR X 78 84.563 -12.289 5.275 1.00 1.00 H new ATOM 0 HG21 THR X 78 86.345 -12.476 3.656 1.00 1.00 H new ATOM 0 HG22 THR X 78 87.368 -11.036 3.439 1.00 1.00 H new ATOM 0 HG23 THR X 78 87.475 -11.986 4.940 1.00 1.00 H new ATOM 1307 N ALA X 79 85.887 -7.390 4.527 1.00 1.00 N ATOM 1308 CA ALA X 79 86.084 -6.279 3.606 1.00 1.00 C ATOM 1309 C ALA X 79 87.512 -5.755 3.699 1.00 1.00 C ATOM 1310 O ALA X 79 88.037 -5.185 2.742 1.00 1.00 O ATOM 1311 CB ALA X 79 85.102 -5.154 3.932 1.00 1.00 C ATOM 0 H ALA X 79 85.122 -7.264 5.189 1.00 1.00 H new ATOM 0 HA ALA X 79 85.906 -6.634 2.591 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.254 -4.326 3.240 1.00 1.00 H new ATOM 0 HB2 ALA X 79 84.081 -5.523 3.837 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.269 -4.809 4.952 1.00 1.00 H new ATOM 1317 N PHE X 80 88.137 -5.945 4.857 1.00 1.00 N ATOM 1318 CA PHE X 80 89.502 -5.479 5.057 1.00 1.00 C ATOM 1319 C PHE X 80 90.462 -6.180 4.096 1.00 1.00 C ATOM 1320 O PHE X 80 91.279 -5.536 3.439 1.00 1.00 O ATOM 1321 CB PHE X 80 89.938 -5.751 6.499 1.00 1.00 C ATOM 1322 CG PHE X 80 91.249 -5.055 6.770 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.447 -5.599 6.292 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.266 -3.862 7.503 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.662 -4.951 6.547 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.481 -3.213 7.758 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.678 -3.758 7.280 1.00 1.00 C ATOM 0 H PHE X 80 87.724 -6.414 5.663 1.00 1.00 H new ATOM 0 HA PHE X 80 89.530 -4.407 4.860 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.176 -5.397 7.193 1.00 1.00 H new ATOM 0 HB3 PHE X 80 90.043 -6.824 6.662 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.434 -6.519 5.726 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.342 -3.442 7.872 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.586 -5.371 6.179 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.494 -2.293 8.323 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.615 -3.258 7.477 1.00 1.00 H new ATOM 1337 N SER X 81 90.366 -7.502 4.029 1.00 1.00 N ATOM 1338 CA SER X 81 91.248 -8.279 3.153 1.00 1.00 C ATOM 1339 C SER X 81 91.055 -7.875 1.681 1.00 1.00 C ATOM 1340 O SER X 81 92.020 -7.550 0.952 1.00 1.00 O ATOM 1341 CB SER X 81 90.945 -9.772 3.319 1.00 1.00 C ATOM 1342 OG SER X 81 91.596 -10.501 2.287 1.00 1.00 O ATOM 0 H SER X 81 89.697 -8.057 4.562 1.00 1.00 H new ATOM 0 HA SER X 81 92.282 -8.076 3.433 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.286 -10.118 4.295 1.00 1.00 H new ATOM 0 HB3 SER X 81 89.869 -9.943 3.278 1.00 1.00 H new ATOM 0 HG SER X 81 91.405 -11.457 2.391 1.00 1.00 H new ATOM 1348 N TYR X 82 89.799 -7.872 1.249 1.00 1.00 N ATOM 1349 CA TYR X 82 89.491 -7.502 -0.127 1.00 1.00 C ATOM 1350 C TYR X 82 89.994 -6.087 -0.431 1.00 1.00 C ATOM 1351 O TYR X 82 90.491 -5.793 -1.534 1.00 1.00 O ATOM 1352 CB TYR X 82 87.979 -7.589 -0.360 1.00 1.00 C ATOM 1353 CG TYR X 82 87.518 -9.024 -0.186 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.996 -10.025 -1.038 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.608 -9.344 0.830 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.566 -11.347 -0.876 1.00 1.00 C ATOM 1357 CE2 TYR X 82 86.177 -10.667 0.992 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.656 -11.668 0.139 1.00 1.00 C ATOM 1359 OH TYR X 82 86.232 -12.969 0.296 1.00 1.00 O ATOM 0 H TYR X 82 88.990 -8.117 1.820 1.00 1.00 H new ATOM 0 HA TYR X 82 89.997 -8.196 -0.799 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.455 -6.941 0.342 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.735 -7.237 -1.362 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.697 -9.778 -1.821 1.00 1.00 H new ATOM 0 HD2 TYR X 82 86.239 -8.571 1.488 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.936 -12.120 -1.534 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.475 -10.915 1.775 1.00 1.00 H new ATOM 0 HH TYR X 82 85.674 -13.226 -0.468 1.00 1.00 H new ATOM 1369 N TRP X 83 89.892 -5.220 0.561 1.00 1.00 N ATOM 1370 CA TRP X 83 90.351 -3.851 0.397 1.00 1.00 C ATOM 1371 C TRP X 83 91.853 -3.827 0.118 1.00 1.00 C ATOM 1372 O TRP X 83 92.347 -2.960 -0.604 1.00 1.00 O ATOM 1373 CB TRP X 83 90.041 -3.030 1.648 1.00 1.00 C ATOM 1374 CG TRP X 83 90.704 -1.693 1.544 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.730 -0.919 0.435 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.434 -0.960 2.572 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.428 0.242 0.715 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.882 0.263 2.020 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.747 -1.235 3.915 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.613 1.181 2.773 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.484 -0.314 4.677 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.916 0.892 4.107 1.00 1.00 C ATOM 0 H TRP X 83 89.501 -5.435 1.478 1.00 1.00 H new ATOM 0 HA TRP X 83 89.826 -3.411 -0.450 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.964 -2.906 1.757 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.393 -3.554 2.536 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.279 -1.167 -0.515 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.588 0.991 0.041 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.418 -2.161 4.364 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.943 2.109 2.329 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.719 -0.536 5.707 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.482 1.597 4.698 1.00 1.00 H new ATOM 1393 N ASN X 84 92.575 -4.782 0.702 1.00 1.00 N ATOM 1394 CA ASN X 84 94.021 -4.851 0.522 1.00 1.00 C ATOM 1395 C ASN X 84 94.348 -4.927 -0.960 1.00 1.00 C ATOM 1396 O ASN X 84 95.281 -4.273 -1.436 1.00 1.00 O ATOM 1397 CB ASN X 84 94.576 -6.088 1.225 1.00 1.00 C ATOM 1398 CG ASN X 84 96.027 -5.853 1.628 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.331 -4.874 2.308 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.947 -6.697 1.246 1.00 1.00 N ATOM 0 H ASN X 84 92.185 -5.512 1.298 1.00 1.00 H new ATOM 0 HA ASN X 84 94.474 -3.958 0.952 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.977 -6.314 2.107 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.509 -6.952 0.564 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.920 -6.545 1.511 1.00 1.00 H new ATOM 0 HD22 ASN X 84 96.693 -7.508 0.682 1.00 1.00 H new ATOM 1407 N LEU X 85 93.554 -5.698 -1.698 1.00 1.00 N ATOM 1408 CA LEU X 85 93.771 -5.813 -3.140 1.00 1.00 C ATOM 1409 C LEU X 85 93.618 -4.452 -3.815 1.00 1.00 C ATOM 1410 O LEU X 85 94.420 -4.084 -4.686 1.00 1.00 O ATOM 1411 CB LEU X 85 92.753 -6.786 -3.746 1.00 1.00 C ATOM 1412 CG LEU X 85 93.304 -8.212 -3.693 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.509 -8.337 -4.636 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.744 -8.535 -2.266 1.00 1.00 C ATOM 0 H LEU X 85 92.771 -6.242 -1.334 1.00 1.00 H new ATOM 0 HA LEU X 85 94.782 -6.185 -3.305 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.812 -6.729 -3.199 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.539 -6.507 -4.778 1.00 1.00 H new ATOM 0 HG LEU X 85 92.526 -8.910 -4.004 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.899 -9.354 -4.595 1.00 1.00 H new ATOM 0 HD12 LEU X 85 94.199 -8.108 -5.655 1.00 1.00 H new ATOM 0 HD13 LEU X 85 95.286 -7.638 -4.328 1.00 1.00 H new ATOM 0 HD21 LEU X 85 94.137 -9.551 -2.228 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.520 -7.834 -1.957 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.890 -8.450 -1.594 1.00 1.00 H new ATOM 1426 N ILE X 86 92.607 -3.697 -3.395 1.00 1.00 N ATOM 1427 CA ILE X 86 92.394 -2.367 -3.966 1.00 1.00 C ATOM 1428 C ILE X 86 93.560 -1.439 -3.634 1.00 1.00 C ATOM 1429 O ILE X 86 94.034 -0.699 -4.495 1.00 1.00 O ATOM 1430 CB ILE X 86 91.114 -1.779 -3.417 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.902 -2.517 -3.988 1.00 1.00 C ATOM 1432 CG2 ILE X 86 91.024 -0.299 -3.770 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.642 -2.129 -3.216 1.00 1.00 C ATOM 0 H ILE X 86 91.935 -3.973 -2.678 1.00 1.00 H new ATOM 0 HA ILE X 86 92.324 -2.465 -5.049 1.00 1.00 H new ATOM 0 HB ILE X 86 91.119 -1.891 -2.333 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.781 -2.273 -5.043 1.00 1.00 H new ATOM 0 HG13 ILE X 86 90.059 -3.594 -3.926 1.00 1.00 H new ATOM 0 HG21 ILE X 86 90.098 0.115 -3.370 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.874 0.230 -3.339 1.00 1.00 H new ATOM 0 HG23 ILE X 86 91.035 -0.182 -4.854 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.784 -2.659 -3.630 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.762 -2.396 -2.166 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.480 -1.054 -3.301 1.00 1.00 H new ATOM 1445 N LYS X 87 94.017 -1.479 -2.387 1.00 1.00 N ATOM 1446 CA LYS X 87 95.120 -0.624 -1.963 1.00 1.00 C ATOM 1447 C LYS X 87 96.311 -0.774 -2.899 1.00 1.00 C ATOM 1448 O LYS X 87 96.878 0.214 -3.351 1.00 1.00 O ATOM 1449 CB LYS X 87 95.552 -1.007 -0.548 1.00 1.00 C ATOM 1450 CG LYS X 87 94.463 -0.612 0.445 1.00 1.00 C ATOM 1451 CD LYS X 87 94.869 -1.051 1.862 1.00 1.00 C ATOM 1452 CE LYS X 87 95.779 0.004 2.493 1.00 1.00 C ATOM 1453 NZ LYS X 87 96.095 -0.390 3.893 1.00 1.00 N ATOM 0 H LYS X 87 93.645 -2.088 -1.658 1.00 1.00 H new ATOM 0 HA LYS X 87 94.778 0.411 -1.985 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.738 -2.080 -0.492 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.487 -0.508 -0.295 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.307 0.467 0.419 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.517 -1.077 0.167 1.00 1.00 H new ATOM 0 HD2 LYS X 87 93.980 -1.192 2.477 1.00 1.00 H new ATOM 0 HD3 LYS X 87 95.384 -2.011 1.821 1.00 1.00 H new ATOM 0 HE2 LYS X 87 96.698 0.101 1.915 1.00 1.00 H new ATOM 0 HE3 LYS X 87 95.289 0.978 2.479 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 96.931 0.135 4.221 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.285 -0.170 4.507 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.291 -1.411 3.931 1.00 1.00 H new ATOM 1467 N GLU X 88 96.674 -2.012 -3.188 1.00 1.00 N ATOM 1468 CA GLU X 88 97.795 -2.283 -4.081 1.00 1.00 C ATOM 1469 C GLU X 88 97.538 -1.692 -5.458 1.00 1.00 C ATOM 1470 O GLU X 88 98.471 -1.276 -6.145 1.00 1.00 O ATOM 1471 CB GLU X 88 98.023 -3.793 -4.208 1.00 1.00 C ATOM 1472 CG GLU X 88 98.626 -4.331 -2.913 1.00 1.00 C ATOM 1473 CD GLU X 88 98.810 -5.841 -3.013 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.596 -6.375 -4.089 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.164 -6.441 -2.012 1.00 1.00 O ATOM 0 H GLU X 88 96.213 -2.844 -2.821 1.00 1.00 H new ATOM 0 HA GLU X 88 98.685 -1.819 -3.656 1.00 1.00 H new ATOM 0 HB2 GLU X 88 97.080 -4.297 -4.418 1.00 1.00 H new ATOM 0 HB3 GLU X 88 98.689 -4.001 -5.045 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.586 -3.851 -2.722 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.976 -4.090 -2.072 1.00 1.00 H new ATOM 1482 N LEU X 89 96.274 -1.670 -5.870 1.00 1.00 N ATOM 1483 CA LEU X 89 95.937 -1.128 -7.183 1.00 1.00 C ATOM 1484 C LEU X 89 96.002 0.399 -7.184 1.00 1.00 C ATOM 1485 O LEU X 89 96.612 1.006 -8.067 1.00 1.00 O ATOM 1486 CB LEU X 89 94.530 -1.583 -7.567 1.00 1.00 C ATOM 1487 CG LEU X 89 94.176 -1.065 -8.971 1.00 1.00 C ATOM 1488 CD1 LEU X 89 95.090 -1.717 -10.009 1.00 1.00 C ATOM 1489 CD2 LEU X 89 92.724 -1.399 -9.287 1.00 1.00 C ATOM 0 H LEU X 89 95.481 -2.013 -5.328 1.00 1.00 H new ATOM 0 HA LEU X 89 96.662 -1.498 -7.908 1.00 1.00 H new ATOM 0 HB2 LEU X 89 94.472 -2.671 -7.546 1.00 1.00 H new ATOM 0 HB3 LEU X 89 93.807 -1.212 -6.840 1.00 1.00 H new ATOM 0 HG LEU X 89 94.314 0.016 -9.000 1.00 1.00 H new ATOM 0 HD11 LEU X 89 94.835 -1.347 -11.002 1.00 1.00 H new ATOM 0 HD12 LEU X 89 96.128 -1.471 -9.785 1.00 1.00 H new ATOM 0 HD13 LEU X 89 94.959 -2.799 -9.981 1.00 1.00 H new ATOM 0 HD21 LEU X 89 92.474 -1.031 -10.282 1.00 1.00 H new ATOM 0 HD22 LEU X 89 92.584 -2.479 -9.253 1.00 1.00 H new ATOM 0 HD23 LEU X 89 92.073 -0.926 -8.552 1.00 1.00 H new ATOM 1501 N ILE X 90 95.343 1.010 -6.210 1.00 1.00 N ATOM 1502 CA ILE X 90 95.313 2.463 -6.110 1.00 1.00 C ATOM 1503 C ILE X 90 96.692 3.014 -5.786 1.00 1.00 C ATOM 1504 O ILE X 90 97.114 4.033 -6.330 1.00 1.00 O ATOM 1505 CB ILE X 90 94.313 2.896 -5.038 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.895 2.551 -5.497 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.412 4.410 -4.827 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.910 2.747 -4.347 1.00 1.00 C ATOM 0 H ILE X 90 94.823 0.524 -5.479 1.00 1.00 H new ATOM 0 HA ILE X 90 95.001 2.864 -7.074 1.00 1.00 H new ATOM 0 HB ILE X 90 94.538 2.378 -4.106 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.613 3.183 -6.339 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.858 1.519 -5.846 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.699 4.718 -4.063 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.421 4.667 -4.506 1.00 1.00 H new ATOM 0 HG23 ILE X 90 94.186 4.923 -5.762 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.903 2.499 -4.684 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.186 2.096 -3.517 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.937 3.786 -4.018 1.00 1.00 H new ATOM 1520 N ASP X 91 97.377 2.346 -4.868 1.00 1.00 N ATOM 1521 CA ASP X 91 98.705 2.789 -4.446 1.00 1.00 C ATOM 1522 C ASP X 91 99.603 3.008 -5.660 1.00 1.00 C ATOM 1523 O ASP X 91 100.282 4.028 -5.763 1.00 1.00 O ATOM 1524 CB ASP X 91 99.342 1.741 -3.530 1.00 1.00 C ATOM 1525 CG ASP X 91 98.866 1.942 -2.096 1.00 1.00 C ATOM 1526 OD1 ASP X 91 99.037 3.037 -1.583 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.335 1.000 -1.531 1.00 1.00 O ATOM 0 H ASP X 91 97.042 1.502 -4.403 1.00 1.00 H new ATOM 0 HA ASP X 91 98.598 3.729 -3.905 1.00 1.00 H new ATOM 0 HB2 ASP X 91 99.080 0.740 -3.872 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.428 1.819 -3.575 1.00 1.00 H new ATOM 1532 N LYS X 92 99.593 2.050 -6.581 1.00 1.00 N ATOM 1533 CA LYS X 92 100.409 2.158 -7.788 1.00 1.00 C ATOM 1534 C LYS X 92 99.968 3.350 -8.629 1.00 1.00 C ATOM 1535 O LYS X 92 100.795 4.102 -9.145 1.00 1.00 O ATOM 1536 CB LYS X 92 100.286 0.878 -8.615 1.00 1.00 C ATOM 1537 CG LYS X 92 100.937 -0.281 -7.860 1.00 1.00 C ATOM 1538 CD LYS X 92 100.771 -1.572 -8.665 1.00 1.00 C ATOM 1539 CE LYS X 92 101.268 -2.758 -7.838 1.00 1.00 C ATOM 1540 NZ LYS X 92 102.712 -2.571 -7.515 1.00 1.00 N ATOM 0 H LYS X 92 99.036 1.198 -6.518 1.00 1.00 H new ATOM 0 HA LYS X 92 101.447 2.302 -7.490 1.00 1.00 H new ATOM 0 HB2 LYS X 92 99.236 0.656 -8.808 1.00 1.00 H new ATOM 0 HB3 LYS X 92 100.767 1.011 -9.584 1.00 1.00 H new ATOM 0 HG2 LYS X 92 101.995 -0.075 -7.698 1.00 1.00 H new ATOM 0 HG3 LYS X 92 100.479 -0.391 -6.877 1.00 1.00 H new ATOM 0 HD2 LYS X 92 99.724 -1.715 -8.931 1.00 1.00 H new ATOM 0 HD3 LYS X 92 101.331 -1.506 -9.598 1.00 1.00 H new ATOM 0 HE2 LYS X 92 100.687 -2.843 -6.919 1.00 1.00 H new ATOM 0 HE3 LYS X 92 101.126 -3.686 -8.392 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 103.113 -3.471 -7.182 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 103.221 -2.259 -8.367 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 102.811 -1.852 -6.770 1.00 1.00 H new ATOM 1554 N LYS X 93 98.660 3.517 -8.762 1.00 1.00 N ATOM 1555 CA LYS X 93 98.116 4.626 -9.547 1.00 1.00 C ATOM 1556 C LYS X 93 98.555 5.963 -8.964 1.00 1.00 C ATOM 1557 O LYS X 93 98.917 6.882 -9.699 1.00 1.00 O ATOM 1558 CB LYS X 93 96.582 4.560 -9.572 1.00 1.00 C ATOM 1559 CG LYS X 93 96.137 3.341 -10.385 1.00 1.00 C ATOM 1560 CD LYS X 93 94.609 3.256 -10.380 1.00 1.00 C ATOM 1561 CE LYS X 93 94.160 2.056 -11.215 1.00 1.00 C ATOM 1562 NZ LYS X 93 94.239 2.401 -12.663 1.00 1.00 N ATOM 0 H LYS X 93 97.958 2.907 -8.343 1.00 1.00 H new ATOM 0 HA LYS X 93 98.498 4.539 -10.564 1.00 1.00 H new ATOM 0 HB2 LYS X 93 96.194 4.494 -8.556 1.00 1.00 H new ATOM 0 HB3 LYS X 93 96.175 5.471 -10.010 1.00 1.00 H new ATOM 0 HG2 LYS X 93 96.504 3.419 -11.408 1.00 1.00 H new ATOM 0 HG3 LYS X 93 96.564 2.432 -9.961 1.00 1.00 H new ATOM 0 HD2 LYS X 93 94.243 3.158 -9.358 1.00 1.00 H new ATOM 0 HD3 LYS X 93 94.182 4.174 -10.785 1.00 1.00 H new ATOM 0 HE2 LYS X 93 94.791 1.194 -11.001 1.00 1.00 H new ATOM 0 HE3 LYS X 93 93.140 1.777 -10.952 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 93.452 1.948 -13.171 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 94.177 3.433 -12.778 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 95.142 2.063 -13.052 1.00 1.00 H new ATOM 1576 N GLU X 94 98.527 6.063 -7.644 1.00 1.00 N ATOM 1577 CA GLU X 94 98.925 7.294 -6.973 1.00 1.00 C ATOM 1578 C GLU X 94 100.248 7.803 -7.536 1.00 1.00 C ATOM 1579 O GLU X 94 100.625 8.954 -7.310 1.00 1.00 O ATOM 1580 CB GLU X 94 99.073 7.040 -5.468 1.00 1.00 C ATOM 1581 CG GLU X 94 99.062 8.374 -4.713 1.00 1.00 C ATOM 1582 CD GLU X 94 97.667 8.989 -4.764 1.00 1.00 C ATOM 1583 OE1 GLU X 94 96.766 8.322 -5.247 1.00 1.00 O ATOM 1584 OE2 GLU X 94 97.519 10.117 -4.326 1.00 1.00 O ATOM 0 H GLU X 94 98.235 5.312 -7.018 1.00 1.00 H new ATOM 0 HA GLU X 94 98.156 8.047 -7.142 1.00 1.00 H new ATOM 0 HB2 GLU X 94 98.260 6.405 -5.115 1.00 1.00 H new ATOM 0 HB3 GLU X 94 100.003 6.507 -5.270 1.00 1.00 H new ATOM 0 HG2 GLU X 94 99.362 8.218 -3.677 1.00 1.00 H new ATOM 0 HG3 GLU X 94 99.787 9.058 -5.155 1.00 1.00 H new ATOM 1591 N VAL X 95 100.945 6.943 -8.275 1.00 1.00 N ATOM 1592 CA VAL X 95 102.227 7.325 -8.867 1.00 1.00 C ATOM 1593 C VAL X 95 102.181 7.162 -10.379 1.00 1.00 C ATOM 1594 O VAL X 95 101.780 6.119 -10.890 1.00 1.00 O ATOM 1595 CB VAL X 95 103.343 6.455 -8.294 1.00 1.00 C ATOM 1596 CG1 VAL X 95 104.627 6.681 -9.095 1.00 1.00 C ATOM 1597 CG2 VAL X 95 103.583 6.830 -6.830 1.00 1.00 C ATOM 0 H VAL X 95 100.649 5.988 -8.477 1.00 1.00 H new ATOM 0 HA VAL X 95 102.423 8.370 -8.629 1.00 1.00 H new ATOM 0 HB VAL X 95 103.054 5.406 -8.357 1.00 1.00 H new ATOM 0 HG11 VAL X 95 105.425 6.060 -8.687 1.00 1.00 H new ATOM 0 HG12 VAL X 95 104.457 6.414 -10.138 1.00 1.00 H new ATOM 0 HG13 VAL X 95 104.915 7.730 -9.032 1.00 1.00 H new ATOM 0 HG21 VAL X 95 104.380 6.209 -6.421 1.00 1.00 H new ATOM 0 HG22 VAL X 95 103.872 7.879 -6.766 1.00 1.00 H new ATOM 0 HG23 VAL X 95 102.669 6.670 -6.259 1.00 1.00 H new ATOM 1607 N ASN X 96 102.589 8.203 -11.091 1.00 1.00 N ATOM 1608 CA ASN X 96 102.584 8.175 -12.550 1.00 1.00 C ATOM 1609 C ASN X 96 103.039 9.517 -13.116 1.00 1.00 C ATOM 1610 O ASN X 96 103.837 9.570 -14.054 1.00 1.00 O ATOM 1611 CB ASN X 96 101.177 7.857 -13.076 1.00 1.00 C ATOM 1612 CG ASN X 96 101.219 6.631 -13.972 1.00 1.00 C ATOM 1613 OD1 ASN X 96 100.767 5.557 -13.576 1.00 1.00 O ATOM 1614 ND2 ASN X 96 101.739 6.724 -15.165 1.00 1.00 N ATOM 0 H ASN X 96 102.927 9.076 -10.685 1.00 1.00 H new ATOM 0 HA ASN X 96 103.276 7.397 -12.872 1.00 1.00 H new ATOM 0 HB2 ASN X 96 100.499 7.683 -12.241 1.00 1.00 H new ATOM 0 HB3 ASN X 96 100.787 8.710 -13.632 1.00 1.00 H new ATOM 0 HD21 ASN X 96 101.772 5.905 -15.772 1.00 1.00 H new ATOM 0 HD22 ASN X 96 102.113 7.616 -15.490 1.00 1.00 H new ATOM 1621 N PRO X 97 102.546 10.597 -12.566 1.00 1.00 N ATOM 1622 CA PRO X 97 102.903 11.972 -13.024 1.00 1.00 C ATOM 1623 C PRO X 97 104.398 12.249 -12.906 1.00 1.00 C ATOM 1624 O PRO X 97 105.064 11.749 -11.999 1.00 1.00 O ATOM 1625 CB PRO X 97 102.102 12.885 -12.086 1.00 1.00 C ATOM 1626 CG PRO X 97 101.011 12.029 -11.537 1.00 1.00 C ATOM 1627 CD PRO X 97 101.590 10.635 -11.448 1.00 1.00 C ATOM 0 HA PRO X 97 102.671 12.125 -14.078 1.00 1.00 H new ATOM 0 HB2 PRO X 97 102.732 13.278 -11.288 1.00 1.00 H new ATOM 0 HB3 PRO X 97 101.696 13.742 -12.624 1.00 1.00 H new ATOM 0 HG2 PRO X 97 100.691 12.383 -10.557 1.00 1.00 H new ATOM 0 HG3 PRO X 97 100.135 12.048 -12.185 1.00 1.00 H new ATOM 0 HD2 PRO X 97 102.083 10.464 -10.491 1.00 1.00 H new ATOM 0 HD3 PRO X 97 100.819 9.871 -11.551 1.00 1.00 H new ATOM 1635 N GLN X 98 104.918 13.048 -13.833 1.00 1.00 N ATOM 1636 CA GLN X 98 106.336 13.387 -13.826 1.00 1.00 C ATOM 1637 C GLN X 98 106.680 14.241 -12.611 1.00 1.00 C ATOM 1638 O GLN X 98 107.742 14.086 -12.010 1.00 1.00 O ATOM 1639 CB GLN X 98 106.705 14.137 -15.107 1.00 1.00 C ATOM 1640 CG GLN X 98 106.612 13.186 -16.302 1.00 1.00 C ATOM 1641 CD GLN X 98 107.020 13.912 -17.579 1.00 1.00 C ATOM 1642 OE1 GLN X 98 107.394 15.084 -17.534 1.00 1.00 O ATOM 1643 NE2 GLN X 98 106.974 13.282 -18.721 1.00 1.00 N ATOM 0 H GLN X 98 104.383 13.470 -14.593 1.00 1.00 H new ATOM 0 HA GLN X 98 106.909 12.461 -13.775 1.00 1.00 H new ATOM 0 HB2 GLN X 98 106.035 14.984 -15.250 1.00 1.00 H new ATOM 0 HB3 GLN X 98 107.715 14.539 -15.027 1.00 1.00 H new ATOM 0 HG2 GLN X 98 107.259 12.323 -16.142 1.00 1.00 H new ATOM 0 HG3 GLN X 98 105.594 12.808 -16.398 1.00 1.00 H new ATOM 0 HE21 GLN X 98 106.664 12.311 -18.756 1.00 1.00 H new ATOM 0 HE22 GLN X 98 107.248 13.761 -19.579 1.00 1.00 H new ATOM 1652 N VAL X 99 105.773 15.146 -12.259 1.00 1.00 N ATOM 1653 CA VAL X 99 105.987 16.026 -11.116 1.00 1.00 C ATOM 1654 C VAL X 99 104.692 16.206 -10.330 1.00 1.00 C ATOM 1655 O VAL X 99 103.602 16.191 -10.901 1.00 1.00 O ATOM 1656 CB VAL X 99 106.495 17.388 -11.592 1.00 1.00 C ATOM 1657 CG1 VAL X 99 105.615 17.891 -12.736 1.00 1.00 C ATOM 1658 CG2 VAL X 99 106.437 18.386 -10.432 1.00 1.00 C ATOM 0 H VAL X 99 104.888 15.289 -12.745 1.00 1.00 H new ATOM 0 HA VAL X 99 106.733 15.571 -10.464 1.00 1.00 H new ATOM 0 HB VAL X 99 107.523 17.290 -11.940 1.00 1.00 H new ATOM 0 HG11 VAL X 99 105.978 18.862 -13.074 1.00 1.00 H new ATOM 0 HG12 VAL X 99 105.652 17.181 -13.563 1.00 1.00 H new ATOM 0 HG13 VAL X 99 104.587 17.989 -12.388 1.00 1.00 H new ATOM 0 HG21 VAL X 99 106.799 19.357 -10.769 1.00 1.00 H new ATOM 0 HG22 VAL X 99 105.408 18.482 -10.086 1.00 1.00 H new ATOM 0 HG23 VAL X 99 107.063 18.030 -9.614 1.00 1.00 H new ATOM 1668 N MET X 100 104.821 16.379 -9.019 1.00 1.00 N ATOM 1669 CA MET X 100 103.654 16.565 -8.165 1.00 1.00 C ATOM 1670 C MET X 100 103.132 17.994 -8.274 1.00 1.00 C ATOM 1671 O MET X 100 102.434 18.277 -9.233 1.00 1.00 O ATOM 1672 CB MET X 100 104.016 16.263 -6.713 1.00 1.00 C ATOM 1673 CG MET X 100 104.283 14.764 -6.554 1.00 1.00 C ATOM 1674 SD MET X 100 104.642 14.395 -4.818 1.00 1.00 S ATOM 1675 CE MET X 100 106.272 15.179 -4.739 1.00 1.00 C ATOM 1676 OXT MET X 100 103.438 18.784 -7.396 1.00 1.00 O ATOM 0 H MET X 100 105.715 16.394 -8.528 1.00 1.00 H new ATOM 0 HA MET X 100 102.874 15.879 -8.495 1.00 1.00 H new ATOM 0 HB2 MET X 100 104.898 16.833 -6.421 1.00 1.00 H new ATOM 0 HB3 MET X 100 103.205 16.571 -6.053 1.00 1.00 H new ATOM 0 HG2 MET X 100 103.417 14.192 -6.887 1.00 1.00 H new ATOM 0 HG3 MET X 100 105.123 14.465 -7.182 1.00 1.00 H new ATOM 0 HE1 MET X 100 106.896 14.648 -4.020 1.00 1.00 H new ATOM 0 HE2 MET X 100 106.741 15.144 -5.722 1.00 1.00 H new ATOM 0 HE3 MET X 100 106.162 16.217 -4.427 1.00 1.00 H new TER 1686 MET X 100