USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=22 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 Set 1.1: X 64 GLN :FLIP amide:sc= -7.7! C(o=-16!,f=-12!) USER MOD Set 1.2: X 68 ASN : amide:sc= -4.52! C(o=-12!,f=-14!) USER MOD Single : X 1 MET CE :methyl -108:sc= 0 (180deg=-0.0363) USER MOD Single : X 1 MET N :NH3+ -120:sc= -0.218 (180deg=-0.389) 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= -0.126 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=0) 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+ -153:sc= 0 (180deg=-0.134) USER MOD Single : X 17 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.19) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -50:sc= 1.04 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ -165:sc= -0.0583 (180deg=-0.417) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -165:sc= -0.0456 (180deg=-0.355) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc=-0.000173 USER MOD Single : X 42 CYS SG : rot -72:sc= -0.293! USER MOD Single : X 47 GLN : amide:sc= 0.804 K(o=0.8,f=-6.3!) USER MOD Single : X 50 THR OG1 : rot 110:sc= -0.22 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 77:sc= 0.108 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 69 THR OG1 : rot -4:sc= 0.352 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc=-0.00729 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 130:sc= -4.71! USER MOD Single : X 84 ASN : amide:sc= -0.0349 K(o=-0.035,f=-1.5!) USER MOD Single : X 87 LYS NZ :NH3+ -156:sc= 0.105 (180deg=0.0131) USER MOD Single : X 92 LYS NZ :NH3+ -165:sc=-0.00889 (180deg=-0.228) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.8!) USER MOD Single : X 98 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.72) USER MOD Single : X 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 64.389 3.252 -3.985 1.00 1.00 N ATOM 2 CA MET X 1 63.099 3.974 -3.799 1.00 1.00 C ATOM 3 C MET X 1 61.971 3.167 -4.432 1.00 1.00 C ATOM 4 O MET X 1 61.155 3.704 -5.181 1.00 1.00 O ATOM 5 CB MET X 1 63.188 5.350 -4.461 1.00 1.00 C ATOM 6 CG MET X 1 64.202 6.214 -3.708 1.00 1.00 C ATOM 7 SD MET X 1 64.269 7.866 -4.449 1.00 1.00 S ATOM 8 CE MET X 1 65.393 7.474 -5.814 1.00 1.00 C ATOM 0 H1 MET X 1 64.803 3.036 -3.056 1.00 1.00 H new ATOM 0 H2 MET X 1 64.220 2.366 -4.503 1.00 1.00 H new ATOM 0 H3 MET X 1 65.046 3.849 -4.526 1.00 1.00 H new ATOM 0 HA MET X 1 62.898 4.099 -2.735 1.00 1.00 H new ATOM 0 HB2 MET X 1 63.487 5.245 -5.504 1.00 1.00 H new ATOM 0 HB3 MET X 1 62.210 5.831 -4.457 1.00 1.00 H new ATOM 0 HG2 MET X 1 63.922 6.288 -2.657 1.00 1.00 H new ATOM 0 HG3 MET X 1 65.187 5.749 -3.743 1.00 1.00 H new ATOM 0 HE1 MET X 1 66.369 7.919 -5.621 1.00 1.00 H new ATOM 0 HE2 MET X 1 65.498 6.392 -5.900 1.00 1.00 H new ATOM 0 HE3 MET X 1 64.989 7.874 -6.744 1.00 1.00 H new ATOM 20 N GLY X 2 61.931 1.875 -4.125 1.00 1.00 N ATOM 21 CA GLY X 2 60.896 1.003 -4.670 1.00 1.00 C ATOM 22 C GLY X 2 61.261 0.525 -6.072 1.00 1.00 C ATOM 23 O GLY X 2 60.396 0.091 -6.833 1.00 1.00 O ATOM 0 H GLY X 2 62.597 1.411 -3.507 1.00 1.00 H new ATOM 0 HA2 GLY X 2 60.758 0.143 -4.014 1.00 1.00 H new ATOM 0 HA3 GLY X 2 59.946 1.536 -4.700 1.00 1.00 H new ATOM 27 N GLN X 3 62.548 0.606 -6.405 1.00 1.00 N ATOM 28 CA GLN X 3 63.024 0.177 -7.718 1.00 1.00 C ATOM 29 C GLN X 3 64.001 -0.987 -7.579 1.00 1.00 C ATOM 30 O GLN X 3 64.987 -0.901 -6.845 1.00 1.00 O ATOM 31 CB GLN X 3 63.711 1.344 -8.429 1.00 1.00 C ATOM 32 CG GLN X 3 62.670 2.410 -8.775 1.00 1.00 C ATOM 33 CD GLN X 3 63.346 3.602 -9.441 1.00 1.00 C ATOM 34 OE1 GLN X 3 64.552 3.574 -9.687 1.00 1.00 O ATOM 35 NE2 GLN X 3 62.638 4.653 -9.754 1.00 1.00 N ATOM 0 H GLN X 3 63.277 0.963 -5.787 1.00 1.00 H new ATOM 0 HA GLN X 3 62.168 -0.152 -8.307 1.00 1.00 H new ATOM 0 HB2 GLN X 3 64.485 1.769 -7.790 1.00 1.00 H new ATOM 0 HB3 GLN X 3 64.204 0.993 -9.336 1.00 1.00 H new ATOM 0 HG2 GLN X 3 61.916 1.991 -9.441 1.00 1.00 H new ATOM 0 HG3 GLN X 3 62.154 2.733 -7.871 1.00 1.00 H new ATOM 0 HE21 GLN X 3 61.639 4.674 -9.549 1.00 1.00 H new ATOM 0 HE22 GLN X 3 63.084 5.453 -10.203 1.00 1.00 H new ATOM 44 N GLU X 4 63.719 -2.074 -8.289 1.00 1.00 N ATOM 45 CA GLU X 4 64.574 -3.253 -8.237 1.00 1.00 C ATOM 46 C GLU X 4 65.948 -2.942 -8.818 1.00 1.00 C ATOM 47 O GLU X 4 66.966 -3.396 -8.296 1.00 1.00 O ATOM 48 CB GLU X 4 63.933 -4.400 -9.023 1.00 1.00 C ATOM 49 CG GLU X 4 64.792 -5.658 -8.886 1.00 1.00 C ATOM 50 CD GLU X 4 64.112 -6.834 -9.578 1.00 1.00 C ATOM 51 OE1 GLU X 4 63.148 -6.602 -10.289 1.00 1.00 O ATOM 52 OE2 GLU X 4 64.559 -7.952 -9.378 1.00 1.00 O ATOM 0 H GLU X 4 62.910 -2.163 -8.904 1.00 1.00 H new ATOM 0 HA GLU X 4 64.690 -3.549 -7.194 1.00 1.00 H new ATOM 0 HB2 GLU X 4 62.927 -4.592 -8.650 1.00 1.00 H new ATOM 0 HB3 GLU X 4 63.837 -4.125 -10.073 1.00 1.00 H new ATOM 0 HG2 GLU X 4 65.775 -5.486 -9.325 1.00 1.00 H new ATOM 0 HG3 GLU X 4 64.949 -5.887 -7.832 1.00 1.00 H new ATOM 59 N LEU X 5 65.965 -2.171 -9.902 1.00 1.00 N ATOM 60 CA LEU X 5 67.221 -1.807 -10.551 1.00 1.00 C ATOM 61 C LEU X 5 67.462 -0.305 -10.447 1.00 1.00 C ATOM 62 O LEU X 5 66.590 0.500 -10.774 1.00 1.00 O ATOM 63 CB LEU X 5 67.187 -2.217 -12.027 1.00 1.00 C ATOM 64 CG LEU X 5 68.574 -2.018 -12.656 1.00 1.00 C ATOM 65 CD1 LEU X 5 69.593 -2.969 -12.012 1.00 1.00 C ATOM 66 CD2 LEU X 5 68.497 -2.298 -14.158 1.00 1.00 C ATOM 0 H LEU X 5 65.130 -1.789 -10.347 1.00 1.00 H new ATOM 0 HA LEU X 5 68.032 -2.331 -10.046 1.00 1.00 H new ATOM 0 HB2 LEU X 5 66.883 -3.260 -12.117 1.00 1.00 H new ATOM 0 HB3 LEU X 5 66.447 -1.622 -12.562 1.00 1.00 H new ATOM 0 HG LEU X 5 68.894 -0.990 -12.487 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.571 -2.817 -12.468 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.655 -2.766 -10.943 1.00 1.00 H new ATOM 0 HD13 LEU X 5 69.277 -4.000 -12.168 1.00 1.00 H new ATOM 0 HD21 LEU X 5 69.481 -2.157 -14.605 1.00 1.00 H new ATOM 0 HD22 LEU X 5 68.168 -3.324 -14.320 1.00 1.00 H new ATOM 0 HD23 LEU X 5 67.787 -1.612 -14.620 1.00 1.00 H new ATOM 78 N SER X 6 68.655 0.066 -9.993 1.00 1.00 N ATOM 79 CA SER X 6 69.005 1.474 -9.851 1.00 1.00 C ATOM 80 C SER X 6 70.467 1.703 -10.224 1.00 1.00 C ATOM 81 O SER X 6 71.261 0.764 -10.275 1.00 1.00 O ATOM 82 CB SER X 6 68.766 1.928 -8.413 1.00 1.00 C ATOM 83 OG SER X 6 69.671 1.252 -7.551 1.00 1.00 O ATOM 0 H SER X 6 69.391 -0.585 -9.719 1.00 1.00 H new ATOM 0 HA SER X 6 68.375 2.056 -10.524 1.00 1.00 H new ATOM 0 HB2 SER X 6 68.905 3.006 -8.332 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.738 1.716 -8.119 1.00 1.00 H new ATOM 0 HG SER X 6 69.521 1.542 -6.627 1.00 1.00 H new ATOM 89 N GLN X 7 70.817 2.960 -10.478 1.00 1.00 N ATOM 90 CA GLN X 7 72.187 3.302 -10.843 1.00 1.00 C ATOM 91 C GLN X 7 73.151 2.923 -9.724 1.00 1.00 C ATOM 92 O GLN X 7 74.311 2.593 -9.975 1.00 1.00 O ATOM 93 CB GLN X 7 72.299 4.803 -11.128 1.00 1.00 C ATOM 94 CG GLN X 7 71.593 5.126 -12.446 1.00 1.00 C ATOM 95 CD GLN X 7 71.672 6.622 -12.731 1.00 1.00 C ATOM 96 OE1 GLN X 7 71.064 7.426 -12.022 1.00 1.00 O ATOM 97 NE2 GLN X 7 72.395 7.047 -13.730 1.00 1.00 N ATOM 0 H GLN X 7 70.177 3.753 -10.438 1.00 1.00 H new ATOM 0 HA GLN X 7 72.450 2.743 -11.741 1.00 1.00 H new ATOM 0 HB2 GLN X 7 71.851 5.373 -10.314 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.347 5.096 -11.183 1.00 1.00 H new ATOM 0 HG2 GLN X 7 72.054 4.568 -13.261 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.550 4.812 -12.395 1.00 1.00 H new ATOM 0 HE21 GLN X 7 72.898 6.380 -14.316 1.00 1.00 H new ATOM 0 HE22 GLN X 7 72.458 8.046 -13.925 1.00 1.00 H new ATOM 106 N HIS X 8 72.664 2.968 -8.489 1.00 1.00 N ATOM 107 CA HIS X 8 73.494 2.621 -7.340 1.00 1.00 C ATOM 108 C HIS X 8 73.852 1.139 -7.366 1.00 1.00 C ATOM 109 O HIS X 8 74.994 0.759 -7.095 1.00 1.00 O ATOM 110 CB HIS X 8 72.755 2.955 -6.041 1.00 1.00 C ATOM 111 CG HIS X 8 72.827 4.437 -5.787 1.00 1.00 C ATOM 112 ND1 HIS X 8 73.914 5.021 -5.157 1.00 1.00 N ATOM 113 CD2 HIS X 8 71.961 5.463 -6.072 1.00 1.00 C ATOM 114 CE1 HIS X 8 73.677 6.344 -5.083 1.00 1.00 C ATOM 115 NE2 HIS X 8 72.499 6.667 -5.625 1.00 1.00 N ATOM 0 H HIS X 8 71.708 3.239 -8.258 1.00 1.00 H new ATOM 0 HA HIS X 8 74.414 3.203 -7.389 1.00 1.00 H new ATOM 0 HB2 HIS X 8 71.715 2.638 -6.111 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.199 2.411 -5.208 1.00 1.00 H new ATOM 0 HD2 HIS X 8 71.008 5.353 -6.567 1.00 1.00 H new ATOM 0 HE1 HIS X 8 74.356 7.057 -4.640 1.00 1.00 H new ATOM 0 HE2 HIS X 8 72.083 7.596 -5.696 1.00 1.00 H new ATOM 123 N GLU X 9 72.873 0.308 -7.702 1.00 1.00 N ATOM 124 CA GLU X 9 73.095 -1.129 -7.771 1.00 1.00 C ATOM 125 C GLU X 9 74.055 -1.465 -8.907 1.00 1.00 C ATOM 126 O GLU X 9 74.935 -2.306 -8.762 1.00 1.00 O ATOM 127 CB GLU X 9 71.764 -1.845 -7.993 1.00 1.00 C ATOM 128 CG GLU X 9 70.890 -1.708 -6.743 1.00 1.00 C ATOM 129 CD GLU X 9 69.518 -2.320 -6.998 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.329 -2.882 -8.064 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.670 -2.209 -6.127 1.00 1.00 O ATOM 0 H GLU X 9 71.923 0.603 -7.930 1.00 1.00 H new ATOM 0 HA GLU X 9 73.535 -1.462 -6.831 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.251 -1.420 -8.856 1.00 1.00 H new ATOM 0 HB3 GLU X 9 71.939 -2.898 -8.213 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.368 -2.205 -5.899 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.785 -0.656 -6.476 1.00 1.00 H new ATOM 138 N ARG X 10 73.883 -0.800 -10.039 1.00 1.00 N ATOM 139 CA ARG X 10 74.747 -1.039 -11.184 1.00 1.00 C ATOM 140 C ARG X 10 76.179 -0.612 -10.869 1.00 1.00 C ATOM 141 O ARG X 10 77.136 -1.236 -11.324 1.00 1.00 O ATOM 142 CB ARG X 10 74.231 -0.262 -12.391 1.00 1.00 C ATOM 143 CG ARG X 10 72.849 -0.793 -12.774 1.00 1.00 C ATOM 144 CD ARG X 10 72.283 0.043 -13.924 1.00 1.00 C ATOM 145 NE ARG X 10 73.072 -0.155 -15.135 1.00 1.00 N ATOM 146 CZ ARG X 10 72.933 0.650 -16.183 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.089 1.644 -16.135 1.00 1.00 N ATOM 148 NH2 ARG X 10 73.644 0.448 -17.259 1.00 1.00 N ATOM 0 H ARG X 10 73.160 -0.097 -10.189 1.00 1.00 H new ATOM 0 HA ARG X 10 74.741 -2.105 -11.410 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.174 0.801 -12.157 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.920 -0.368 -13.229 1.00 1.00 H new ATOM 0 HG2 ARG X 10 72.919 -1.839 -13.071 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.180 -0.750 -11.915 1.00 1.00 H new ATOM 0 HD2 ARG X 10 71.246 -0.237 -14.109 1.00 1.00 H new ATOM 0 HD3 ARG X 10 72.285 1.098 -13.650 1.00 1.00 H new ATOM 0 HE ARG X 10 73.741 -0.924 -15.178 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.536 1.803 -15.293 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.982 2.262 -16.940 1.00 1.00 H new ATOM 0 HH21 ARG X 10 74.306 -0.327 -17.295 1.00 1.00 H new ATOM 0 HH22 ARG X 10 73.538 1.066 -18.064 1.00 1.00 H new ATOM 162 N TYR X 11 76.318 0.462 -10.095 1.00 1.00 N ATOM 163 CA TYR X 11 77.637 0.977 -9.736 1.00 1.00 C ATOM 164 C TYR X 11 78.456 -0.073 -8.985 1.00 1.00 C ATOM 165 O TYR X 11 79.624 -0.313 -9.302 1.00 1.00 O ATOM 166 CB TYR X 11 77.479 2.219 -8.853 1.00 1.00 C ATOM 167 CG TYR X 11 78.839 2.679 -8.383 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.716 3.298 -9.282 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.226 2.480 -7.052 1.00 1.00 C ATOM 170 CE1 TYR X 11 80.979 3.720 -8.849 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.489 2.902 -6.620 1.00 1.00 C ATOM 172 CZ TYR X 11 81.365 3.522 -7.518 1.00 1.00 C ATOM 173 OH TYR X 11 82.609 3.938 -7.090 1.00 1.00 O ATOM 0 H TYR X 11 75.537 0.991 -9.706 1.00 1.00 H new ATOM 0 HA TYR X 11 78.163 1.233 -10.656 1.00 1.00 H new ATOM 0 HB2 TYR X 11 76.987 3.015 -9.412 1.00 1.00 H new ATOM 0 HB3 TYR X 11 76.844 1.991 -7.997 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.418 3.450 -10.309 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.550 2.001 -6.359 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.655 4.198 -9.542 1.00 1.00 H new ATOM 0 HE2 TYR X 11 80.787 2.749 -5.593 1.00 1.00 H new ATOM 0 HH TYR X 11 82.716 3.725 -6.139 1.00 1.00 H new ATOM 183 N VAL X 12 77.836 -0.689 -7.986 1.00 1.00 N ATOM 184 CA VAL X 12 78.521 -1.701 -7.187 1.00 1.00 C ATOM 185 C VAL X 12 78.871 -2.905 -8.051 1.00 1.00 C ATOM 186 O VAL X 12 79.890 -3.564 -7.836 1.00 1.00 O ATOM 187 CB VAL X 12 77.643 -2.134 -6.001 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.824 -3.384 -6.351 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.537 -2.439 -4.804 1.00 1.00 C ATOM 0 H VAL X 12 76.870 -0.509 -7.711 1.00 1.00 H new ATOM 0 HA VAL X 12 79.443 -1.270 -6.796 1.00 1.00 H new ATOM 0 HB VAL X 12 76.953 -1.324 -5.764 1.00 1.00 H new ATOM 0 HG11 VAL X 12 76.212 -3.669 -5.495 1.00 1.00 H new ATOM 0 HG12 VAL X 12 76.179 -3.170 -7.203 1.00 1.00 H new ATOM 0 HG13 VAL X 12 77.499 -4.202 -6.603 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.921 -2.747 -3.959 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.228 -3.242 -5.061 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.102 -1.547 -4.535 1.00 1.00 H new ATOM 199 N GLU X 13 78.015 -3.192 -9.026 1.00 1.00 N ATOM 200 CA GLU X 13 78.237 -4.325 -9.918 1.00 1.00 C ATOM 201 C GLU X 13 79.488 -4.117 -10.758 1.00 1.00 C ATOM 202 O GLU X 13 80.224 -5.063 -11.037 1.00 1.00 O ATOM 203 CB GLU X 13 77.025 -4.522 -10.835 1.00 1.00 C ATOM 204 CG GLU X 13 75.875 -5.148 -10.041 1.00 1.00 C ATOM 205 CD GLU X 13 74.654 -5.316 -10.939 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.786 -5.094 -12.131 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.606 -5.665 -10.422 1.00 1.00 O ATOM 0 H GLU X 13 77.166 -2.660 -9.218 1.00 1.00 H new ATOM 0 HA GLU X 13 78.374 -5.216 -9.306 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.713 -3.565 -11.252 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.292 -5.164 -11.674 1.00 1.00 H new ATOM 0 HG2 GLU X 13 76.181 -6.116 -9.644 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.625 -4.517 -9.188 1.00 1.00 H new ATOM 214 N GLN X 14 79.725 -2.876 -11.158 1.00 1.00 N ATOM 215 CA GLN X 14 80.896 -2.563 -11.965 1.00 1.00 C ATOM 216 C GLN X 14 82.167 -2.809 -11.167 1.00 1.00 C ATOM 217 O GLN X 14 83.144 -3.350 -11.685 1.00 1.00 O ATOM 218 CB GLN X 14 80.847 -1.102 -12.413 1.00 1.00 C ATOM 219 CG GLN X 14 79.711 -0.914 -13.420 1.00 1.00 C ATOM 220 CD GLN X 14 79.572 0.561 -13.781 1.00 1.00 C ATOM 221 OE1 GLN X 14 80.366 1.389 -13.332 1.00 1.00 O ATOM 222 NE2 GLN X 14 78.606 0.941 -14.572 1.00 1.00 N ATOM 0 H GLN X 14 79.129 -2.077 -10.940 1.00 1.00 H new ATOM 0 HA GLN X 14 80.897 -3.209 -12.843 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.695 -0.452 -11.552 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.798 -0.817 -12.864 1.00 1.00 H new ATOM 0 HG2 GLN X 14 79.909 -1.499 -14.318 1.00 1.00 H new ATOM 0 HG3 GLN X 14 78.776 -1.283 -12.999 1.00 1.00 H new ATOM 0 HE21 GLN X 14 77.950 0.253 -14.942 1.00 1.00 H new ATOM 0 HE22 GLN X 14 78.507 1.925 -14.820 1.00 1.00 H new ATOM 231 N LEU X 15 82.144 -2.410 -9.902 1.00 1.00 N ATOM 232 CA LEU X 15 83.302 -2.595 -9.046 1.00 1.00 C ATOM 233 C LEU X 15 83.595 -4.074 -8.879 1.00 1.00 C ATOM 234 O LEU X 15 84.747 -4.479 -8.884 1.00 1.00 O ATOM 235 CB LEU X 15 83.068 -1.975 -7.672 1.00 1.00 C ATOM 236 CG LEU X 15 82.914 -0.455 -7.811 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.582 0.150 -6.451 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.219 0.168 -8.318 1.00 1.00 C ATOM 0 H LEU X 15 81.345 -1.962 -9.453 1.00 1.00 H new ATOM 0 HA LEU X 15 84.151 -2.101 -9.518 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.173 -2.401 -7.218 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.903 -2.207 -7.011 1.00 1.00 H new ATOM 0 HG LEU X 15 82.113 -0.250 -8.522 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.473 1.230 -6.550 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.650 -0.277 -6.081 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.386 -0.070 -5.749 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.095 1.247 -8.412 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.022 -0.045 -7.612 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.470 -0.254 -9.291 1.00 1.00 H new ATOM 250 N LYS X 16 82.551 -4.876 -8.727 1.00 1.00 N ATOM 251 CA LYS X 16 82.735 -6.306 -8.553 1.00 1.00 C ATOM 252 C LYS X 16 83.506 -6.900 -9.723 1.00 1.00 C ATOM 253 O LYS X 16 84.430 -7.680 -9.524 1.00 1.00 O ATOM 254 CB LYS X 16 81.375 -6.990 -8.458 1.00 1.00 C ATOM 255 CG LYS X 16 81.560 -8.483 -8.170 1.00 1.00 C ATOM 256 CD LYS X 16 80.188 -9.145 -8.093 1.00 1.00 C ATOM 257 CE LYS X 16 80.359 -10.631 -7.762 1.00 1.00 C ATOM 258 NZ LYS X 16 79.022 -11.269 -7.599 1.00 1.00 N ATOM 0 H LYS X 16 81.580 -4.564 -8.721 1.00 1.00 H new ATOM 0 HA LYS X 16 83.303 -6.468 -7.637 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.781 -6.530 -7.668 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.825 -6.856 -9.390 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.159 -8.947 -8.954 1.00 1.00 H new ATOM 0 HG3 LYS X 16 82.099 -8.622 -7.233 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.579 -8.659 -7.331 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.663 -9.030 -9.041 1.00 1.00 H new ATOM 0 HE2 LYS X 16 80.915 -11.128 -8.557 1.00 1.00 H new ATOM 0 HE3 LYS X 16 80.940 -10.745 -6.847 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.103 -12.086 -6.961 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 78.355 -10.580 -7.197 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 78.674 -11.587 -8.526 1.00 1.00 H new ATOM 272 N GLN X 17 83.120 -6.544 -10.941 1.00 1.00 N ATOM 273 CA GLN X 17 83.790 -7.082 -12.118 1.00 1.00 C ATOM 274 C GLN X 17 85.259 -6.661 -12.164 1.00 1.00 C ATOM 275 O GLN X 17 86.154 -7.498 -12.307 1.00 1.00 O ATOM 276 CB GLN X 17 83.074 -6.590 -13.374 1.00 1.00 C ATOM 277 CG GLN X 17 81.666 -7.188 -13.424 1.00 1.00 C ATOM 278 CD GLN X 17 81.741 -8.691 -13.668 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.318 -9.134 -14.662 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.191 -9.509 -12.812 1.00 1.00 N ATOM 0 H GLN X 17 82.358 -5.895 -11.139 1.00 1.00 H new ATOM 0 HA GLN X 17 83.754 -8.170 -12.068 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.019 -5.501 -13.372 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.635 -6.879 -14.263 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.145 -6.990 -12.487 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.089 -6.712 -14.216 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.714 -9.141 -11.989 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.239 -10.516 -12.966 1.00 1.00 H new ATOM 289 N ALA X 18 85.502 -5.362 -12.040 1.00 1.00 N ATOM 290 CA ALA X 18 86.867 -4.846 -12.076 1.00 1.00 C ATOM 291 C ALA X 18 87.687 -5.391 -10.912 1.00 1.00 C ATOM 292 O ALA X 18 88.809 -5.858 -11.096 1.00 1.00 O ATOM 293 CB ALA X 18 86.841 -3.318 -12.022 1.00 1.00 C ATOM 0 H ALA X 18 84.781 -4.652 -11.915 1.00 1.00 H new ATOM 0 HA ALA X 18 87.335 -5.171 -13.005 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.861 -2.936 -12.049 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.286 -2.933 -12.878 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.357 -2.995 -11.101 1.00 1.00 H new ATOM 299 N LEU X 19 87.112 -5.334 -9.717 1.00 1.00 N ATOM 300 CA LEU X 19 87.781 -5.820 -8.519 1.00 1.00 C ATOM 301 C LEU X 19 88.046 -7.317 -8.624 1.00 1.00 C ATOM 302 O LEU X 19 89.085 -7.803 -8.175 1.00 1.00 O ATOM 303 CB LEU X 19 86.922 -5.512 -7.283 1.00 1.00 C ATOM 304 CG LEU X 19 86.894 -4.003 -7.006 1.00 1.00 C ATOM 305 CD1 LEU X 19 85.810 -3.743 -5.968 1.00 1.00 C ATOM 306 CD2 LEU X 19 88.253 -3.492 -6.474 1.00 1.00 C ATOM 0 H LEU X 19 86.180 -4.954 -9.553 1.00 1.00 H new ATOM 0 HA LEU X 19 88.740 -5.311 -8.420 1.00 1.00 H new ATOM 0 HB2 LEU X 19 85.907 -5.877 -7.439 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.321 -6.039 -6.416 1.00 1.00 H new ATOM 0 HG LEU X 19 86.690 -3.472 -7.936 1.00 1.00 H new ATOM 0 HD11 LEU X 19 85.765 -2.676 -5.749 1.00 1.00 H new ATOM 0 HD12 LEU X 19 84.847 -4.075 -6.356 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.041 -4.292 -5.055 1.00 1.00 H new ATOM 0 HD21 LEU X 19 88.192 -2.419 -6.290 1.00 1.00 H new ATOM 0 HD22 LEU X 19 88.496 -4.006 -5.544 1.00 1.00 H new ATOM 0 HD23 LEU X 19 89.030 -3.690 -7.212 1.00 1.00 H new ATOM 318 N LYS X 20 87.115 -8.044 -9.218 1.00 1.00 N ATOM 319 CA LYS X 20 87.279 -9.481 -9.369 1.00 1.00 C ATOM 320 C LYS X 20 88.565 -9.800 -10.115 1.00 1.00 C ATOM 321 O LYS X 20 89.287 -10.731 -9.754 1.00 1.00 O ATOM 322 CB LYS X 20 86.081 -10.067 -10.117 1.00 1.00 C ATOM 323 CG LYS X 20 86.243 -11.581 -10.259 1.00 1.00 C ATOM 324 CD LYS X 20 85.006 -12.154 -10.947 1.00 1.00 C ATOM 325 CE LYS X 20 85.167 -13.666 -11.090 1.00 1.00 C ATOM 326 NZ LYS X 20 83.936 -14.241 -11.698 1.00 1.00 N ATOM 0 H LYS X 20 86.247 -7.669 -9.600 1.00 1.00 H new ATOM 0 HA LYS X 20 87.336 -9.929 -8.377 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.160 -9.840 -9.580 1.00 1.00 H new ATOM 0 HB3 LYS X 20 85.997 -9.608 -11.102 1.00 1.00 H new ATOM 0 HG2 LYS X 20 87.136 -11.811 -10.840 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.374 -12.039 -9.278 1.00 1.00 H new ATOM 0 HD2 LYS X 20 84.113 -11.925 -10.366 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.875 -11.696 -11.927 1.00 1.00 H new ATOM 0 HE2 LYS X 20 86.033 -13.893 -11.712 1.00 1.00 H new ATOM 0 HE3 LYS X 20 85.348 -14.117 -10.114 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 84.045 -15.271 -11.796 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 83.119 -14.036 -11.088 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 83.782 -13.819 -12.636 1.00 1.00 H new ATOM 340 N THR X 21 88.849 -9.033 -11.157 1.00 1.00 N ATOM 341 CA THR X 21 90.054 -9.261 -11.943 1.00 1.00 C ATOM 342 C THR X 21 91.302 -8.919 -11.132 1.00 1.00 C ATOM 343 O THR X 21 92.405 -9.347 -11.468 1.00 1.00 O ATOM 344 CB THR X 21 90.013 -8.415 -13.212 1.00 1.00 C ATOM 345 OG1 THR X 21 90.055 -7.040 -12.859 1.00 1.00 O ATOM 346 CG2 THR X 21 88.723 -8.708 -13.977 1.00 1.00 C ATOM 0 H THR X 21 88.270 -8.256 -11.476 1.00 1.00 H new ATOM 0 HA THR X 21 90.096 -10.316 -12.213 1.00 1.00 H new ATOM 0 HB THR X 21 90.869 -8.656 -13.842 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.384 -6.859 -12.168 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.693 -8.104 -14.884 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.690 -9.764 -14.243 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.865 -8.465 -13.350 1.00 1.00 H new ATOM 354 N ARG X 22 91.126 -8.137 -10.071 1.00 1.00 N ATOM 355 CA ARG X 22 92.249 -7.743 -9.231 1.00 1.00 C ATOM 356 C ARG X 22 92.546 -8.802 -8.171 1.00 1.00 C ATOM 357 O ARG X 22 93.559 -8.720 -7.480 1.00 1.00 O ATOM 358 CB ARG X 22 91.949 -6.412 -8.550 1.00 1.00 C ATOM 359 CG ARG X 22 91.802 -5.337 -9.620 1.00 1.00 C ATOM 360 CD ARG X 22 91.624 -3.973 -8.957 1.00 1.00 C ATOM 361 NE ARG X 22 91.493 -2.928 -9.968 1.00 1.00 N ATOM 362 CZ ARG X 22 90.309 -2.583 -10.463 1.00 1.00 C ATOM 363 NH1 ARG X 22 89.228 -3.187 -10.049 1.00 1.00 N ATOM 364 NH2 ARG X 22 90.225 -1.642 -11.363 1.00 1.00 N ATOM 0 H ARG X 22 90.223 -7.767 -9.775 1.00 1.00 H new ATOM 0 HA ARG X 22 93.126 -7.640 -9.870 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.035 -6.487 -7.961 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.752 -6.151 -7.860 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.682 -5.328 -10.263 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.945 -5.558 -10.256 1.00 1.00 H new ATOM 0 HD2 ARG X 22 90.740 -3.984 -8.320 1.00 1.00 H new ATOM 0 HD3 ARG X 22 92.478 -3.760 -8.314 1.00 1.00 H new ATOM 0 HE ARG X 22 92.330 -2.451 -10.302 1.00 1.00 H new ATOM 0 HH11 ARG X 22 89.293 -3.923 -9.346 1.00 1.00 H new ATOM 0 HH12 ARG X 22 88.319 -2.923 -10.429 1.00 1.00 H new ATOM 0 HH21 ARG X 22 91.069 -1.170 -11.688 1.00 1.00 H new ATOM 0 HH22 ARG X 22 89.315 -1.378 -11.742 1.00 1.00 H new ATOM 378 N GLY X 23 91.661 -9.793 -8.043 1.00 1.00 N ATOM 379 CA GLY X 23 91.858 -10.850 -7.052 1.00 1.00 C ATOM 380 C GLY X 23 90.862 -10.737 -5.904 1.00 1.00 C ATOM 381 O GLY X 23 91.114 -11.229 -4.804 1.00 1.00 O ATOM 0 H GLY X 23 90.814 -9.885 -8.604 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.752 -11.823 -7.532 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.874 -10.797 -6.660 1.00 1.00 H new ATOM 385 N VAL X 24 89.736 -10.083 -6.160 1.00 1.00 N ATOM 386 CA VAL X 24 88.719 -9.909 -5.128 1.00 1.00 C ATOM 387 C VAL X 24 87.571 -10.893 -5.325 1.00 1.00 C ATOM 388 O VAL X 24 87.057 -11.050 -6.429 1.00 1.00 O ATOM 389 CB VAL X 24 88.178 -8.482 -5.182 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.957 -8.349 -4.270 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.267 -7.520 -4.714 1.00 1.00 C ATOM 0 H VAL X 24 89.504 -9.668 -7.063 1.00 1.00 H new ATOM 0 HA VAL X 24 89.176 -10.098 -4.157 1.00 1.00 H new ATOM 0 HB VAL X 24 87.884 -8.245 -6.205 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.578 -7.328 -4.315 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.180 -9.039 -4.599 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.241 -8.585 -3.245 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.889 -6.498 -4.749 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.555 -7.766 -3.692 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.136 -7.609 -5.366 1.00 1.00 H new ATOM 401 N LYS X 25 87.167 -11.550 -4.241 1.00 1.00 N ATOM 402 CA LYS X 25 86.070 -12.510 -4.303 1.00 1.00 C ATOM 403 C LYS X 25 84.979 -12.144 -3.307 1.00 1.00 C ATOM 404 O LYS X 25 84.830 -12.787 -2.267 1.00 1.00 O ATOM 405 CB LYS X 25 86.579 -13.917 -4.006 1.00 1.00 C ATOM 406 CG LYS X 25 87.461 -14.383 -5.159 1.00 1.00 C ATOM 407 CD LYS X 25 87.907 -15.827 -4.904 1.00 1.00 C ATOM 408 CE LYS X 25 88.795 -16.309 -6.054 1.00 1.00 C ATOM 409 NZ LYS X 25 89.205 -17.722 -5.807 1.00 1.00 N ATOM 0 H LYS X 25 87.580 -11.436 -3.315 1.00 1.00 H new ATOM 0 HA LYS X 25 85.654 -12.483 -5.310 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.144 -13.923 -3.074 1.00 1.00 H new ATOM 0 HB3 LYS X 25 85.740 -14.600 -3.875 1.00 1.00 H new ATOM 0 HG2 LYS X 25 86.913 -14.320 -6.099 1.00 1.00 H new ATOM 0 HG3 LYS X 25 88.331 -13.733 -5.253 1.00 1.00 H new ATOM 0 HD2 LYS X 25 88.452 -15.887 -3.962 1.00 1.00 H new ATOM 0 HD3 LYS X 25 87.035 -16.475 -4.810 1.00 1.00 H new ATOM 0 HE2 LYS X 25 88.257 -16.235 -6.999 1.00 1.00 H new ATOM 0 HE3 LYS X 25 89.676 -15.673 -6.139 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 89.808 -18.050 -6.588 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 89.734 -17.779 -4.913 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 88.359 -18.324 -5.747 1.00 1.00 H new ATOM 423 N VAL X 26 84.218 -11.108 -3.638 1.00 1.00 N ATOM 424 CA VAL X 26 83.132 -10.652 -2.772 1.00 1.00 C ATOM 425 C VAL X 26 81.841 -10.472 -3.571 1.00 1.00 C ATOM 426 O VAL X 26 81.849 -9.899 -4.660 1.00 1.00 O ATOM 427 CB VAL X 26 83.518 -9.331 -2.101 1.00 1.00 C ATOM 428 CG1 VAL X 26 82.294 -8.734 -1.410 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.606 -9.591 -1.058 1.00 1.00 C ATOM 0 H VAL X 26 84.330 -10.568 -4.496 1.00 1.00 H new ATOM 0 HA VAL X 26 82.962 -11.409 -2.006 1.00 1.00 H new ATOM 0 HB VAL X 26 83.889 -8.636 -2.855 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.569 -7.794 -0.932 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.513 -8.552 -2.148 1.00 1.00 H new ATOM 0 HG13 VAL X 26 81.926 -9.430 -0.656 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.883 -8.652 -0.579 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.231 -10.285 -0.306 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.481 -10.021 -1.545 1.00 1.00 H new ATOM 439 N LYS X 27 80.730 -10.962 -3.020 1.00 1.00 N ATOM 440 CA LYS X 27 79.440 -10.847 -3.692 1.00 1.00 C ATOM 441 C LYS X 27 79.020 -9.385 -3.801 1.00 1.00 C ATOM 442 O LYS X 27 79.455 -8.544 -3.014 1.00 1.00 O ATOM 443 CB LYS X 27 78.385 -11.617 -2.903 1.00 1.00 C ATOM 444 CG LYS X 27 78.750 -13.101 -2.885 1.00 1.00 C ATOM 445 CD LYS X 27 77.754 -13.849 -2.002 1.00 1.00 C ATOM 446 CE LYS X 27 78.186 -15.311 -1.868 1.00 1.00 C ATOM 447 NZ LYS X 27 78.217 -15.950 -3.214 1.00 1.00 N ATOM 0 H LYS X 27 80.699 -11.438 -2.118 1.00 1.00 H new ATOM 0 HA LYS X 27 79.532 -11.263 -4.696 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.324 -11.233 -1.885 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.403 -11.478 -3.355 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.733 -13.505 -3.897 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.763 -13.235 -2.506 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.703 -13.383 -1.018 1.00 1.00 H new ATOM 0 HD3 LYS X 27 76.755 -13.792 -2.434 1.00 1.00 H new ATOM 0 HE2 LYS X 27 79.171 -15.368 -1.405 1.00 1.00 H new ATOM 0 HE3 LYS X 27 77.495 -15.846 -1.216 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 78.258 -16.984 -3.107 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 77.359 -15.691 -3.741 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 79.055 -15.622 -3.735 1.00 1.00 H new ATOM 461 N TYR X 28 78.176 -9.089 -4.783 1.00 1.00 N ATOM 462 CA TYR X 28 77.705 -7.724 -4.991 1.00 1.00 C ATOM 463 C TYR X 28 76.884 -7.249 -3.798 1.00 1.00 C ATOM 464 O TYR X 28 76.991 -6.099 -3.376 1.00 1.00 O ATOM 465 CB TYR X 28 76.851 -7.649 -6.254 1.00 1.00 C ATOM 466 CG TYR X 28 75.490 -8.237 -5.980 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.282 -9.617 -6.093 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.430 -7.399 -5.614 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.016 -10.158 -5.839 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.164 -7.939 -5.360 1.00 1.00 C ATOM 471 CZ TYR X 28 72.957 -9.319 -5.473 1.00 1.00 C ATOM 472 OH TYR X 28 71.710 -9.852 -5.223 1.00 1.00 O ATOM 0 H TYR X 28 77.805 -9.771 -5.444 1.00 1.00 H new ATOM 0 HA TYR X 28 78.576 -7.078 -5.101 1.00 1.00 H new ATOM 0 HB2 TYR X 28 76.752 -6.613 -6.577 1.00 1.00 H new ATOM 0 HB3 TYR X 28 77.336 -8.191 -7.066 1.00 1.00 H new ATOM 0 HD1 TYR X 28 76.099 -10.264 -6.376 1.00 1.00 H new ATOM 0 HD2 TYR X 28 74.589 -6.334 -5.528 1.00 1.00 H new ATOM 0 HE1 TYR X 28 73.856 -11.223 -5.925 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.347 -7.292 -5.077 1.00 1.00 H new ATOM 0 HH TYR X 28 71.090 -9.133 -4.980 1.00 1.00 H new ATOM 482 N ALA X 29 76.060 -8.143 -3.265 1.00 1.00 N ATOM 483 CA ALA X 29 75.215 -7.806 -2.126 1.00 1.00 C ATOM 484 C ALA X 29 76.055 -7.275 -0.968 1.00 1.00 C ATOM 485 O ALA X 29 75.657 -6.332 -0.289 1.00 1.00 O ATOM 486 CB ALA X 29 74.445 -9.045 -1.663 1.00 1.00 C ATOM 0 H ALA X 29 75.959 -9.101 -3.601 1.00 1.00 H new ATOM 0 HA ALA X 29 74.514 -7.032 -2.439 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.816 -8.785 -0.812 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.820 -9.411 -2.478 1.00 1.00 H new ATOM 0 HB3 ALA X 29 75.150 -9.823 -1.369 1.00 1.00 H new ATOM 492 N ASP X 30 77.213 -7.881 -0.741 1.00 1.00 N ATOM 493 CA ASP X 30 78.080 -7.450 0.347 1.00 1.00 C ATOM 494 C ASP X 30 78.485 -5.990 0.174 1.00 1.00 C ATOM 495 O ASP X 30 78.361 -5.185 1.098 1.00 1.00 O ATOM 496 CB ASP X 30 79.327 -8.330 0.365 1.00 1.00 C ATOM 497 CG ASP X 30 78.978 -9.724 0.881 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.930 -9.862 1.490 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.761 -10.631 0.655 1.00 1.00 O ATOM 0 H ASP X 30 77.571 -8.664 -1.289 1.00 1.00 H new ATOM 0 HA ASP X 30 77.539 -7.544 1.289 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.747 -8.400 -0.638 1.00 1.00 H new ATOM 0 HB3 ASP X 30 80.090 -7.879 0.999 1.00 1.00 H new ATOM 504 N LEU X 31 78.963 -5.653 -1.015 1.00 1.00 N ATOM 505 CA LEU X 31 79.375 -4.288 -1.305 1.00 1.00 C ATOM 506 C LEU X 31 78.176 -3.351 -1.280 1.00 1.00 C ATOM 507 O LEU X 31 78.268 -2.224 -0.793 1.00 1.00 O ATOM 508 CB LEU X 31 80.052 -4.219 -2.679 1.00 1.00 C ATOM 509 CG LEU X 31 81.396 -4.958 -2.635 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.980 -5.057 -4.046 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.386 -4.222 -1.721 1.00 1.00 C ATOM 0 H LEU X 31 79.075 -6.304 -1.792 1.00 1.00 H new ATOM 0 HA LEU X 31 80.084 -3.975 -0.538 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.406 -4.665 -3.435 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.208 -3.179 -2.966 1.00 1.00 H new ATOM 0 HG LEU X 31 81.228 -5.959 -2.238 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.934 -5.583 -4.009 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.289 -5.604 -4.688 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.133 -4.055 -4.448 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.333 -4.761 -1.702 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.550 -3.213 -2.100 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.979 -4.169 -0.711 1.00 1.00 H new ATOM 523 N LEU X 32 77.055 -3.814 -1.818 1.00 1.00 N ATOM 524 CA LEU X 32 75.856 -2.989 -1.857 1.00 1.00 C ATOM 525 C LEU X 32 75.402 -2.646 -0.445 1.00 1.00 C ATOM 526 O LEU X 32 75.116 -1.487 -0.139 1.00 1.00 O ATOM 527 CB LEU X 32 74.739 -3.740 -2.595 1.00 1.00 C ATOM 528 CG LEU X 32 73.467 -2.883 -2.652 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.749 -1.586 -3.413 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.360 -3.662 -3.371 1.00 1.00 C ATOM 0 H LEU X 32 76.951 -4.742 -2.228 1.00 1.00 H new ATOM 0 HA LEU X 32 76.082 -2.063 -2.385 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.064 -3.988 -3.605 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.529 -4.682 -2.088 1.00 1.00 H new ATOM 0 HG LEU X 32 73.149 -2.644 -1.637 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.843 -0.982 -3.450 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.536 -1.029 -2.904 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.070 -1.822 -4.428 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.456 -3.055 -3.412 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.683 -3.902 -4.384 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.153 -4.584 -2.828 1.00 1.00 H new ATOM 542 N LYS X 33 75.341 -3.655 0.409 1.00 1.00 N ATOM 543 CA LYS X 33 74.928 -3.446 1.785 1.00 1.00 C ATOM 544 C LYS X 33 75.955 -2.606 2.517 1.00 1.00 C ATOM 545 O LYS X 33 75.607 -1.726 3.302 1.00 1.00 O ATOM 546 CB LYS X 33 74.761 -4.790 2.493 1.00 1.00 C ATOM 547 CG LYS X 33 73.587 -5.548 1.873 1.00 1.00 C ATOM 548 CD LYS X 33 73.493 -6.941 2.493 1.00 1.00 C ATOM 549 CE LYS X 33 72.427 -7.754 1.757 1.00 1.00 C ATOM 550 NZ LYS X 33 71.098 -7.101 1.921 1.00 1.00 N ATOM 0 H LYS X 33 75.571 -4.621 0.175 1.00 1.00 H new ATOM 0 HA LYS X 33 73.973 -2.921 1.787 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.675 -5.377 2.403 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.586 -4.634 3.557 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.659 -5.001 2.040 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.721 -5.627 0.794 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.458 -7.445 2.431 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.241 -6.864 3.551 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.678 -7.829 0.699 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.395 -8.770 2.150 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.348 -7.768 1.648 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.969 -6.822 2.914 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 71.049 -6.257 1.315 1.00 1.00 H new ATOM 564 N PHE X 34 77.229 -2.893 2.270 1.00 1.00 N ATOM 565 CA PHE X 34 78.282 -2.160 2.937 1.00 1.00 C ATOM 566 C PHE X 34 78.218 -0.671 2.596 1.00 1.00 C ATOM 567 O PHE X 34 78.339 0.191 3.476 1.00 1.00 O ATOM 568 CB PHE X 34 79.663 -2.710 2.545 1.00 1.00 C ATOM 569 CG PHE X 34 80.773 -1.827 3.114 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.587 -1.120 4.307 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.983 -1.719 2.418 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.610 -0.304 4.806 1.00 1.00 C ATOM 573 CE2 PHE X 34 83.006 -0.904 2.916 1.00 1.00 C ATOM 574 CZ PHE X 34 82.820 -0.196 4.110 1.00 1.00 C ATOM 0 H PHE X 34 77.547 -3.615 1.624 1.00 1.00 H new ATOM 0 HA PHE X 34 78.136 -2.285 4.010 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.774 -3.729 2.917 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.748 -2.756 1.459 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.654 -1.204 4.844 1.00 1.00 H new ATOM 0 HD2 PHE X 34 82.127 -2.264 1.497 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.466 0.241 5.727 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.939 -0.821 2.379 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.610 0.433 4.494 1.00 1.00 H new ATOM 584 N PHE X 35 78.027 -0.380 1.309 1.00 1.00 N ATOM 585 CA PHE X 35 77.954 0.998 0.844 1.00 1.00 C ATOM 586 C PHE X 35 76.812 1.714 1.535 1.00 1.00 C ATOM 587 O PHE X 35 76.913 2.895 1.870 1.00 1.00 O ATOM 588 CB PHE X 35 77.751 1.045 -0.682 1.00 1.00 C ATOM 589 CG PHE X 35 78.933 1.722 -1.347 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.309 3.008 -0.942 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.646 1.071 -2.361 1.00 1.00 C ATOM 592 CE1 PHE X 35 80.398 3.644 -1.552 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.736 1.706 -2.970 1.00 1.00 C ATOM 594 CZ PHE X 35 81.110 2.993 -2.566 1.00 1.00 C ATOM 0 H PHE X 35 77.921 -1.080 0.575 1.00 1.00 H new ATOM 0 HA PHE X 35 78.893 1.496 1.086 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.635 0.034 -1.072 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.834 1.585 -0.918 1.00 1.00 H new ATOM 0 HD1 PHE X 35 78.760 3.510 -0.159 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.355 0.079 -2.674 1.00 1.00 H new ATOM 0 HE1 PHE X 35 80.688 4.636 -1.240 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.287 1.203 -3.751 1.00 1.00 H new ATOM 0 HZ PHE X 35 81.949 3.484 -3.037 1.00 1.00 H new ATOM 604 N ASP X 36 75.733 0.987 1.758 1.00 1.00 N ATOM 605 CA ASP X 36 74.584 1.557 2.428 1.00 1.00 C ATOM 606 C ASP X 36 74.874 1.759 3.912 1.00 1.00 C ATOM 607 O ASP X 36 74.237 2.582 4.565 1.00 1.00 O ATOM 608 CB ASP X 36 73.367 0.652 2.256 1.00 1.00 C ATOM 609 CG ASP X 36 72.837 0.750 0.828 1.00 1.00 C ATOM 610 OD1 ASP X 36 73.180 1.709 0.155 1.00 1.00 O ATOM 611 OD2 ASP X 36 72.093 -0.132 0.429 1.00 1.00 O ATOM 0 H ASP X 36 75.630 0.009 1.487 1.00 1.00 H new ATOM 0 HA ASP X 36 74.372 2.527 1.977 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.637 -0.380 2.482 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.588 0.940 2.962 1.00 1.00 H new ATOM 616 N PHE X 37 75.820 0.993 4.447 1.00 1.00 N ATOM 617 CA PHE X 37 76.152 1.102 5.864 1.00 1.00 C ATOM 618 C PHE X 37 76.718 2.483 6.201 1.00 1.00 C ATOM 619 O PHE X 37 76.206 3.188 7.083 1.00 1.00 O ATOM 620 CB PHE X 37 77.206 0.041 6.199 1.00 1.00 C ATOM 621 CG PHE X 37 77.232 -0.206 7.685 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.789 0.748 8.545 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.686 -1.385 8.206 1.00 1.00 C ATOM 624 CE1 PHE X 37 77.801 0.523 9.926 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.697 -1.610 9.588 1.00 1.00 C ATOM 626 CZ PHE X 37 77.254 -0.656 10.448 1.00 1.00 C ATOM 0 H PHE X 37 76.363 0.301 3.931 1.00 1.00 H new ATOM 0 HA PHE X 37 75.243 0.953 6.447 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.982 -0.886 5.672 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.188 0.371 5.859 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.209 1.658 8.142 1.00 1.00 H new ATOM 0 HD2 PHE X 37 76.256 -2.121 7.542 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.232 1.258 10.589 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.276 -2.519 9.990 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.262 -0.829 11.514 1.00 1.00 H new ATOM 636 N VAL X 38 77.769 2.873 5.488 1.00 1.00 N ATOM 637 CA VAL X 38 78.388 4.181 5.735 1.00 1.00 C ATOM 638 C VAL X 38 77.456 5.300 5.294 1.00 1.00 C ATOM 639 O VAL X 38 77.354 6.334 5.949 1.00 1.00 O ATOM 640 CB VAL X 38 79.728 4.308 4.998 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.470 4.361 3.497 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.457 5.594 5.436 1.00 1.00 C ATOM 0 H VAL X 38 78.206 2.321 4.750 1.00 1.00 H new ATOM 0 HA VAL X 38 78.572 4.264 6.806 1.00 1.00 H new ATOM 0 HB VAL X 38 80.352 3.447 5.240 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.419 4.451 2.968 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.964 3.448 3.182 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.842 5.222 3.266 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.406 5.673 4.906 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.838 6.460 5.203 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.643 5.559 6.510 1.00 1.00 H new ATOM 652 N LYS X 39 76.780 5.085 4.175 1.00 1.00 N ATOM 653 CA LYS X 39 75.856 6.084 3.642 1.00 1.00 C ATOM 654 C LYS X 39 74.668 6.276 4.578 1.00 1.00 C ATOM 655 O LYS X 39 74.111 7.364 4.674 1.00 1.00 O ATOM 656 CB LYS X 39 75.351 5.653 2.269 1.00 1.00 C ATOM 657 CG LYS X 39 76.518 5.561 1.278 1.00 1.00 C ATOM 658 CD LYS X 39 76.836 6.943 0.697 1.00 1.00 C ATOM 659 CE LYS X 39 77.928 6.806 -0.365 1.00 1.00 C ATOM 660 NZ LYS X 39 78.229 8.150 -0.930 1.00 1.00 N ATOM 0 H LYS X 39 76.851 4.233 3.618 1.00 1.00 H new ATOM 0 HA LYS X 39 76.393 7.028 3.554 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.852 4.687 2.344 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.611 6.366 1.905 1.00 1.00 H new ATOM 0 HG2 LYS X 39 77.398 5.159 1.779 1.00 1.00 H new ATOM 0 HG3 LYS X 39 76.266 4.870 0.473 1.00 1.00 H new ATOM 0 HD2 LYS X 39 75.939 7.381 0.259 1.00 1.00 H new ATOM 0 HD3 LYS X 39 77.165 7.616 1.489 1.00 1.00 H new ATOM 0 HE2 LYS X 39 78.827 6.373 0.074 1.00 1.00 H new ATOM 0 HE3 LYS X 39 77.601 6.130 -1.155 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 78.971 8.064 -1.653 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 77.369 8.546 -1.361 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 78.557 8.780 -0.171 1.00 1.00 H new ATOM 674 N ASP X 40 74.273 5.202 5.244 1.00 1.00 N ATOM 675 CA ASP X 40 73.136 5.251 6.156 1.00 1.00 C ATOM 676 C ASP X 40 73.403 6.222 7.296 1.00 1.00 C ATOM 677 O ASP X 40 72.550 7.039 7.637 1.00 1.00 O ATOM 678 CB ASP X 40 72.856 3.856 6.738 1.00 1.00 C ATOM 679 CG ASP X 40 71.974 3.041 5.790 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.551 3.590 4.785 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.749 1.877 6.077 1.00 1.00 O ATOM 0 H ASP X 40 74.720 4.288 5.172 1.00 1.00 H new ATOM 0 HA ASP X 40 72.268 5.591 5.591 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.797 3.332 6.908 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.365 3.952 7.706 1.00 1.00 H new ATOM 686 N THR X 41 74.591 6.137 7.885 1.00 1.00 N ATOM 687 CA THR X 41 74.933 7.023 8.987 1.00 1.00 C ATOM 688 C THR X 41 75.751 8.204 8.487 1.00 1.00 C ATOM 689 O THR X 41 75.888 9.215 9.174 1.00 1.00 O ATOM 690 CB THR X 41 75.730 6.255 10.047 1.00 1.00 C ATOM 691 OG1 THR X 41 76.704 5.441 9.408 1.00 1.00 O ATOM 692 CG2 THR X 41 74.787 5.377 10.870 1.00 1.00 C ATOM 0 H THR X 41 75.321 5.475 7.622 1.00 1.00 H new ATOM 0 HA THR X 41 74.010 7.397 9.430 1.00 1.00 H new ATOM 0 HB THR X 41 76.226 6.965 10.709 1.00 1.00 H new ATOM 0 HG1 THR X 41 77.215 4.950 10.085 1.00 1.00 H new ATOM 0 HG21 THR X 41 75.359 4.834 11.622 1.00 1.00 H new ATOM 0 HG22 THR X 41 74.044 6.004 11.363 1.00 1.00 H new ATOM 0 HG23 THR X 41 74.285 4.667 10.213 1.00 1.00 H new ATOM 700 N CYS X 42 76.302 8.052 7.290 1.00 1.00 N ATOM 701 CA CYS X 42 77.128 9.087 6.698 1.00 1.00 C ATOM 702 C CYS X 42 78.023 9.746 7.754 1.00 1.00 C ATOM 703 O CYS X 42 77.986 10.959 7.970 1.00 1.00 O ATOM 704 CB CYS X 42 76.216 10.113 6.027 1.00 1.00 C ATOM 705 SG CYS X 42 74.502 9.552 6.112 1.00 1.00 S ATOM 0 H CYS X 42 76.190 7.219 6.712 1.00 1.00 H new ATOM 0 HA CYS X 42 77.789 8.647 5.951 1.00 1.00 H new ATOM 0 HB2 CYS X 42 76.317 11.080 6.519 1.00 1.00 H new ATOM 0 HB3 CYS X 42 76.512 10.252 4.987 1.00 1.00 H new ATOM 0 HG CYS X 42 74.330 8.557 5.294 1.00 1.00 H new ATOM 711 N PRO X 43 78.829 8.971 8.431 1.00 1.00 N ATOM 712 CA PRO X 43 79.728 9.501 9.488 1.00 1.00 C ATOM 713 C PRO X 43 80.859 10.344 8.913 1.00 1.00 C ATOM 714 O PRO X 43 81.378 11.228 9.587 1.00 1.00 O ATOM 715 CB PRO X 43 80.299 8.248 10.167 1.00 1.00 C ATOM 716 CG PRO X 43 79.530 7.090 9.630 1.00 1.00 C ATOM 717 CD PRO X 43 79.014 7.524 8.269 1.00 1.00 C ATOM 0 HA PRO X 43 79.189 10.156 10.172 1.00 1.00 H new ATOM 0 HB2 PRO X 43 81.362 8.141 9.953 1.00 1.00 H new ATOM 0 HB3 PRO X 43 80.197 8.313 11.250 1.00 1.00 H new ATOM 0 HG2 PRO X 43 80.164 6.207 9.544 1.00 1.00 H new ATOM 0 HG3 PRO X 43 78.706 6.827 10.294 1.00 1.00 H new ATOM 0 HD2 PRO X 43 79.726 7.295 7.476 1.00 1.00 H new ATOM 0 HD3 PRO X 43 78.080 7.024 8.014 1.00 1.00 H new ATOM 725 N TRP X 44 81.240 10.042 7.665 1.00 1.00 N ATOM 726 CA TRP X 44 82.334 10.745 6.999 1.00 1.00 C ATOM 727 C TRP X 44 83.579 10.775 7.884 1.00 1.00 C ATOM 728 O TRP X 44 83.554 11.311 8.991 1.00 1.00 O ATOM 729 CB TRP X 44 81.898 12.154 6.650 1.00 1.00 C ATOM 730 CG TRP X 44 80.689 12.077 5.798 1.00 1.00 C ATOM 731 CD1 TRP X 44 80.598 11.430 4.612 1.00 1.00 C ATOM 732 CD2 TRP X 44 79.385 12.680 6.037 1.00 1.00 C ATOM 733 NE1 TRP X 44 79.321 11.599 4.109 1.00 1.00 N ATOM 734 CE2 TRP X 44 78.536 12.362 4.950 1.00 1.00 C ATOM 735 CE3 TRP X 44 78.861 13.465 7.080 1.00 1.00 C ATOM 736 CZ2 TRP X 44 77.213 12.807 4.901 1.00 1.00 C ATOM 737 CZ3 TRP X 44 77.530 13.915 7.034 1.00 1.00 C ATOM 738 CH2 TRP X 44 76.709 13.586 5.946 1.00 1.00 C ATOM 0 H TRP X 44 80.804 9.314 7.099 1.00 1.00 H new ATOM 0 HA TRP X 44 82.586 10.212 6.082 1.00 1.00 H new ATOM 0 HB2 TRP X 44 81.686 12.720 7.557 1.00 1.00 H new ATOM 0 HB3 TRP X 44 82.697 12.679 6.126 1.00 1.00 H new ATOM 0 HD1 TRP X 44 81.392 10.873 4.137 1.00 1.00 H new ATOM 0 HE1 TRP X 44 78.998 11.207 3.224 1.00 1.00 H new ATOM 0 HE3 TRP X 44 79.486 13.724 7.922 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 76.584 12.551 4.061 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 77.138 14.517 7.840 1.00 1.00 H new ATOM 0 HH2 TRP X 44 75.687 13.935 5.916 1.00 1.00 H new ATOM 749 N PHE X 45 84.662 10.185 7.393 1.00 1.00 N ATOM 750 CA PHE X 45 85.907 10.136 8.150 1.00 1.00 C ATOM 751 C PHE X 45 87.021 10.857 7.394 1.00 1.00 C ATOM 752 O PHE X 45 88.053 10.268 7.091 1.00 1.00 O ATOM 753 CB PHE X 45 86.291 8.676 8.389 1.00 1.00 C ATOM 754 CG PHE X 45 85.572 8.174 9.612 1.00 1.00 C ATOM 755 CD1 PHE X 45 86.111 8.381 10.888 1.00 1.00 C ATOM 756 CD2 PHE X 45 84.359 7.492 9.467 1.00 1.00 C ATOM 757 CE1 PHE X 45 85.434 7.906 12.019 1.00 1.00 C ATOM 758 CE2 PHE X 45 83.682 7.017 10.598 1.00 1.00 C ATOM 759 CZ PHE X 45 84.220 7.224 11.873 1.00 1.00 C ATOM 0 H PHE X 45 84.704 9.736 6.478 1.00 1.00 H new ATOM 0 HA PHE X 45 85.766 10.638 9.107 1.00 1.00 H new ATOM 0 HB2 PHE X 45 86.027 8.071 7.522 1.00 1.00 H new ATOM 0 HB3 PHE X 45 87.369 8.587 8.523 1.00 1.00 H new ATOM 0 HD1 PHE X 45 87.048 8.906 11.000 1.00 1.00 H new ATOM 0 HD2 PHE X 45 83.944 7.332 8.483 1.00 1.00 H new ATOM 0 HE1 PHE X 45 85.849 8.066 13.003 1.00 1.00 H new ATOM 0 HE2 PHE X 45 82.745 6.491 10.486 1.00 1.00 H new ATOM 0 HZ PHE X 45 83.699 6.858 12.745 1.00 1.00 H new ATOM 769 N PRO X 46 86.829 12.118 7.086 1.00 1.00 N ATOM 770 CA PRO X 46 87.828 12.936 6.349 1.00 1.00 C ATOM 771 C PRO X 46 89.266 12.517 6.642 1.00 1.00 C ATOM 772 O PRO X 46 89.638 12.298 7.796 1.00 1.00 O ATOM 773 CB PRO X 46 87.551 14.351 6.853 1.00 1.00 C ATOM 774 CG PRO X 46 86.103 14.371 7.245 1.00 1.00 C ATOM 775 CD PRO X 46 85.634 12.915 7.394 1.00 1.00 C ATOM 0 HA PRO X 46 87.734 12.828 5.268 1.00 1.00 H new ATOM 0 HB2 PRO X 46 88.189 14.595 7.702 1.00 1.00 H new ATOM 0 HB3 PRO X 46 87.756 15.089 6.078 1.00 1.00 H new ATOM 0 HG2 PRO X 46 85.969 14.913 8.181 1.00 1.00 H new ATOM 0 HG3 PRO X 46 85.510 14.887 6.490 1.00 1.00 H new ATOM 0 HD2 PRO X 46 85.271 12.715 8.402 1.00 1.00 H new ATOM 0 HD3 PRO X 46 84.817 12.688 6.710 1.00 1.00 H new ATOM 783 N GLN X 47 90.065 12.400 5.587 1.00 1.00 N ATOM 784 CA GLN X 47 91.456 12.002 5.742 1.00 1.00 C ATOM 785 C GLN X 47 92.301 12.555 4.598 1.00 1.00 C ATOM 786 O GLN X 47 91.821 12.705 3.475 1.00 1.00 O ATOM 787 CB GLN X 47 91.561 10.472 5.758 1.00 1.00 C ATOM 788 CG GLN X 47 92.946 10.055 6.260 1.00 1.00 C ATOM 789 CD GLN X 47 93.088 10.384 7.742 1.00 1.00 C ATOM 790 OE1 GLN X 47 92.164 10.155 8.522 1.00 1.00 O ATOM 791 NE2 GLN X 47 94.197 10.916 8.180 1.00 1.00 N ATOM 0 H GLN X 47 89.775 12.574 4.625 1.00 1.00 H new ATOM 0 HA GLN X 47 91.828 12.405 6.684 1.00 1.00 H new ATOM 0 HB2 GLN X 47 90.788 10.052 6.402 1.00 1.00 H new ATOM 0 HB3 GLN X 47 91.392 10.076 4.757 1.00 1.00 H new ATOM 0 HG2 GLN X 47 93.092 8.987 6.101 1.00 1.00 H new ATOM 0 HG3 GLN X 47 93.718 10.571 5.690 1.00 1.00 H new ATOM 0 HE21 GLN X 47 94.962 11.105 7.533 1.00 1.00 H new ATOM 0 HE22 GLN X 47 94.298 11.142 9.169 1.00 1.00 H new ATOM 800 N GLU X 48 93.562 12.845 4.892 1.00 1.00 N ATOM 801 CA GLU X 48 94.473 13.370 3.879 1.00 1.00 C ATOM 802 C GLU X 48 95.863 12.766 4.041 1.00 1.00 C ATOM 803 O GLU X 48 96.329 12.540 5.159 1.00 1.00 O ATOM 804 CB GLU X 48 94.555 14.895 3.984 1.00 1.00 C ATOM 805 CG GLU X 48 93.246 15.513 3.491 1.00 1.00 C ATOM 806 CD GLU X 48 93.295 17.030 3.643 1.00 1.00 C ATOM 807 OE1 GLU X 48 94.303 17.524 4.121 1.00 1.00 O ATOM 808 OE2 GLU X 48 92.327 17.675 3.275 1.00 1.00 O ATOM 0 H GLU X 48 93.977 12.727 5.816 1.00 1.00 H new ATOM 0 HA GLU X 48 94.087 13.098 2.897 1.00 1.00 H new ATOM 0 HB2 GLU X 48 94.742 15.189 5.017 1.00 1.00 H new ATOM 0 HB3 GLU X 48 95.391 15.266 3.391 1.00 1.00 H new ATOM 0 HG2 GLU X 48 93.081 15.249 2.446 1.00 1.00 H new ATOM 0 HG3 GLU X 48 92.407 15.109 4.058 1.00 1.00 H new ATOM 815 N GLY X 49 96.522 12.509 2.915 1.00 1.00 N ATOM 816 CA GLY X 49 97.862 11.933 2.940 1.00 1.00 C ATOM 817 C GLY X 49 97.808 10.416 2.779 1.00 1.00 C ATOM 818 O GLY X 49 98.823 9.775 2.502 1.00 1.00 O ATOM 0 H GLY X 49 96.154 12.689 1.981 1.00 1.00 H new ATOM 0 HA2 GLY X 49 98.463 12.366 2.140 1.00 1.00 H new ATOM 0 HA3 GLY X 49 98.353 12.185 3.880 1.00 1.00 H new ATOM 822 N THR X 50 96.617 9.851 2.958 1.00 1.00 N ATOM 823 CA THR X 50 96.431 8.407 2.840 1.00 1.00 C ATOM 824 C THR X 50 95.261 8.097 1.911 1.00 1.00 C ATOM 825 O THR X 50 94.456 8.974 1.596 1.00 1.00 O ATOM 826 CB THR X 50 96.170 7.790 4.218 1.00 1.00 C ATOM 827 OG1 THR X 50 94.918 8.245 4.711 1.00 1.00 O ATOM 828 CG2 THR X 50 97.281 8.203 5.186 1.00 1.00 C ATOM 0 H THR X 50 95.768 10.369 3.185 1.00 1.00 H new ATOM 0 HA THR X 50 97.341 7.977 2.423 1.00 1.00 H new ATOM 0 HB THR X 50 96.154 6.704 4.130 1.00 1.00 H new ATOM 0 HG1 THR X 50 94.277 7.504 4.709 1.00 1.00 H new ATOM 0 HG21 THR X 50 97.093 7.763 6.165 1.00 1.00 H new ATOM 0 HG22 THR X 50 98.241 7.852 4.809 1.00 1.00 H new ATOM 0 HG23 THR X 50 97.301 9.289 5.274 1.00 1.00 H new ATOM 836 N ILE X 51 95.181 6.845 1.469 1.00 1.00 N ATOM 837 CA ILE X 51 94.115 6.428 0.566 1.00 1.00 C ATOM 838 C ILE X 51 92.789 7.056 0.990 1.00 1.00 C ATOM 839 O ILE X 51 92.368 6.926 2.138 1.00 1.00 O ATOM 840 CB ILE X 51 93.991 4.902 0.588 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.156 4.271 -0.179 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.679 4.489 -0.072 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.702 3.083 0.611 1.00 1.00 C ATOM 0 H ILE X 51 95.838 6.106 1.720 1.00 1.00 H new ATOM 0 HA ILE X 51 94.357 6.760 -0.444 1.00 1.00 H new ATOM 0 HB ILE X 51 94.011 4.560 1.623 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.822 3.944 -1.164 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.943 5.008 -0.338 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.590 3.403 -0.057 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.844 4.929 0.472 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.665 4.840 -1.104 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.532 2.633 0.065 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.051 3.424 1.586 1.00 1.00 H new ATOM 0 HD13 ILE X 51 94.913 2.343 0.747 1.00 1.00 H new ATOM 855 N ASP X 52 92.143 7.747 0.054 1.00 1.00 N ATOM 856 CA ASP X 52 90.873 8.407 0.336 1.00 1.00 C ATOM 857 C ASP X 52 89.806 7.388 0.710 1.00 1.00 C ATOM 858 O ASP X 52 89.020 7.606 1.630 1.00 1.00 O ATOM 859 CB ASP X 52 90.417 9.203 -0.888 1.00 1.00 C ATOM 860 CG ASP X 52 89.130 9.957 -0.569 1.00 1.00 C ATOM 861 OD1 ASP X 52 88.542 9.676 0.462 1.00 1.00 O ATOM 862 OD2 ASP X 52 88.758 10.813 -1.355 1.00 1.00 O ATOM 0 H ASP X 52 92.477 7.864 -0.903 1.00 1.00 H new ATOM 0 HA ASP X 52 91.018 9.084 1.178 1.00 1.00 H new ATOM 0 HB2 ASP X 52 91.195 9.905 -1.186 1.00 1.00 H new ATOM 0 HB3 ASP X 52 90.255 8.530 -1.730 1.00 1.00 H new ATOM 867 N ILE X 53 89.788 6.273 -0.005 1.00 1.00 N ATOM 868 CA ILE X 53 88.815 5.225 0.265 1.00 1.00 C ATOM 869 C ILE X 53 88.951 4.726 1.695 1.00 1.00 C ATOM 870 O ILE X 53 87.996 4.226 2.278 1.00 1.00 O ATOM 871 CB ILE X 53 89.023 4.060 -0.712 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.282 4.355 -2.004 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.472 2.762 -0.128 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.968 3.655 -3.171 1.00 1.00 C ATOM 0 H ILE X 53 90.431 6.071 -0.771 1.00 1.00 H new ATOM 0 HA ILE X 53 87.814 5.636 0.133 1.00 1.00 H new ATOM 0 HB ILE X 53 90.092 3.948 -0.895 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.248 4.019 -1.925 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.255 5.430 -2.180 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.629 1.949 -0.836 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.987 2.535 0.805 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.405 2.874 0.065 1.00 1.00 H new ATOM 0 HD11 ILE X 53 88.429 3.873 -4.093 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.994 4.012 -3.257 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.972 2.579 -2.998 1.00 1.00 H new ATOM 886 N LYS X 54 90.142 4.870 2.260 1.00 1.00 N ATOM 887 CA LYS X 54 90.389 4.401 3.615 1.00 1.00 C ATOM 888 C LYS X 54 89.298 4.875 4.559 1.00 1.00 C ATOM 889 O LYS X 54 88.962 4.192 5.523 1.00 1.00 O ATOM 890 CB LYS X 54 91.747 4.912 4.099 1.00 1.00 C ATOM 891 CG LYS X 54 92.075 4.297 5.459 1.00 1.00 C ATOM 892 CD LYS X 54 93.494 4.699 5.872 1.00 1.00 C ATOM 893 CE LYS X 54 93.833 4.062 7.221 1.00 1.00 C ATOM 894 NZ LYS X 54 95.207 4.468 7.634 1.00 1.00 N ATOM 0 H LYS X 54 90.945 5.304 1.805 1.00 1.00 H new ATOM 0 HA LYS X 54 90.389 3.311 3.607 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.522 4.655 3.377 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.731 5.999 4.175 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.357 4.636 6.206 1.00 1.00 H new ATOM 0 HG3 LYS X 54 91.993 3.211 5.408 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.209 4.376 5.116 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.570 5.784 5.941 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.109 4.373 7.974 1.00 1.00 H new ATOM 0 HE3 LYS X 54 93.770 2.976 7.148 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 95.436 4.034 8.551 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 95.893 4.150 6.920 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.252 5.503 7.720 1.00 1.00 H new ATOM 908 N ARG X 55 88.741 6.038 4.278 1.00 1.00 N ATOM 909 CA ARG X 55 87.688 6.570 5.119 1.00 1.00 C ATOM 910 C ARG X 55 86.471 5.644 5.097 1.00 1.00 C ATOM 911 O ARG X 55 85.880 5.344 6.142 1.00 1.00 O ATOM 912 CB ARG X 55 87.280 7.946 4.599 1.00 1.00 C ATOM 913 CG ARG X 55 88.515 8.845 4.518 1.00 1.00 C ATOM 914 CD ARG X 55 88.097 10.235 4.030 1.00 1.00 C ATOM 915 NE ARG X 55 87.606 10.157 2.657 1.00 1.00 N ATOM 916 CZ ARG X 55 87.052 11.210 2.063 1.00 1.00 C ATOM 917 NH1 ARG X 55 86.942 12.339 2.709 1.00 1.00 N ATOM 918 NH2 ARG X 55 86.619 11.114 0.836 1.00 1.00 N ATOM 0 H ARG X 55 88.996 6.625 3.484 1.00 1.00 H new ATOM 0 HA ARG X 55 88.056 6.648 6.142 1.00 1.00 H new ATOM 0 HB2 ARG X 55 86.819 7.853 3.616 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.536 8.391 5.260 1.00 1.00 H new ATOM 0 HG2 ARG X 55 88.991 8.918 5.496 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.249 8.414 3.838 1.00 1.00 H new ATOM 0 HD2 ARG X 55 87.321 10.639 4.680 1.00 1.00 H new ATOM 0 HD3 ARG X 55 88.945 10.918 4.083 1.00 1.00 H new ATOM 0 HE ARG X 55 87.689 9.279 2.144 1.00 1.00 H new ATOM 0 HH11 ARG X 55 87.281 12.413 3.668 1.00 1.00 H new ATOM 0 HH12 ARG X 55 86.517 13.147 2.254 1.00 1.00 H new ATOM 0 HH21 ARG X 55 86.705 10.231 0.332 1.00 1.00 H new ATOM 0 HH22 ARG X 55 86.194 11.922 0.380 1.00 1.00 H new ATOM 932 N TRP X 56 86.097 5.188 3.902 1.00 1.00 N ATOM 933 CA TRP X 56 84.947 4.309 3.778 1.00 1.00 C ATOM 934 C TRP X 56 85.218 2.968 4.456 1.00 1.00 C ATOM 935 O TRP X 56 84.412 2.480 5.249 1.00 1.00 O ATOM 936 CB TRP X 56 84.605 4.093 2.294 1.00 1.00 C ATOM 937 CG TRP X 56 83.515 3.071 2.155 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.620 2.755 3.120 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.190 2.234 1.008 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.769 1.777 2.639 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.081 1.422 1.341 1.00 1.00 C ATOM 942 CE3 TRP X 56 83.747 2.101 -0.277 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.541 0.511 0.432 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.207 1.185 -1.195 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.106 0.392 -0.841 1.00 1.00 C ATOM 0 H TRP X 56 86.567 5.410 3.024 1.00 1.00 H new ATOM 0 HA TRP X 56 84.098 4.779 4.273 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.289 5.035 1.846 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.492 3.764 1.753 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.577 3.195 4.105 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.005 1.368 3.177 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.595 2.707 -0.560 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.693 -0.097 0.710 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.642 1.091 -2.179 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.695 -0.310 -1.551 1.00 1.00 H new ATOM 956 N ARG X 57 86.365 2.385 4.141 1.00 1.00 N ATOM 957 CA ARG X 57 86.744 1.099 4.713 1.00 1.00 C ATOM 958 C ARG X 57 86.834 1.185 6.228 1.00 1.00 C ATOM 959 O ARG X 57 86.534 0.224 6.931 1.00 1.00 O ATOM 960 CB ARG X 57 88.091 0.641 4.154 1.00 1.00 C ATOM 961 CG ARG X 57 88.179 0.966 2.663 1.00 1.00 C ATOM 962 CD ARG X 57 87.037 0.288 1.905 1.00 1.00 C ATOM 963 NE ARG X 57 87.240 0.389 0.467 1.00 1.00 N ATOM 964 CZ ARG X 57 86.253 0.127 -0.384 1.00 1.00 C ATOM 965 NH1 ARG X 57 85.081 -0.228 0.065 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.457 0.223 -1.669 1.00 1.00 N ATOM 0 H ARG X 57 87.048 2.779 3.495 1.00 1.00 H new ATOM 0 HA ARG X 57 85.974 0.376 4.443 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.902 1.134 4.690 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.212 -0.431 4.308 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.133 2.045 2.515 1.00 1.00 H new ATOM 0 HG3 ARG X 57 89.137 0.631 2.267 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.974 -0.761 2.195 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.089 0.751 2.176 1.00 1.00 H new ATOM 0 HE ARG X 57 88.154 0.665 0.107 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.921 -0.305 1.070 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.324 -0.429 -0.588 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.374 0.499 -2.021 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.700 0.022 -2.322 1.00 1.00 H new ATOM 980 N ARG X 58 87.250 2.341 6.728 1.00 1.00 N ATOM 981 CA ARG X 58 87.373 2.530 8.167 1.00 1.00 C ATOM 982 C ARG X 58 86.037 2.290 8.856 1.00 1.00 C ATOM 983 O ARG X 58 85.966 1.583 9.860 1.00 1.00 O ATOM 984 CB ARG X 58 87.838 3.953 8.469 1.00 1.00 C ATOM 985 CG ARG X 58 89.362 3.996 8.555 1.00 1.00 C ATOM 986 CD ARG X 58 89.816 5.444 8.759 1.00 1.00 C ATOM 987 NE ARG X 58 91.257 5.493 8.953 1.00 1.00 N ATOM 988 CZ ARG X 58 91.930 6.635 8.847 1.00 1.00 C ATOM 989 NH1 ARG X 58 91.299 7.739 8.554 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.222 6.651 9.035 1.00 1.00 N ATOM 0 H ARG X 58 87.505 3.153 6.166 1.00 1.00 H new ATOM 0 HA ARG X 58 88.104 1.814 8.542 1.00 1.00 H new ATOM 0 HB2 ARG X 58 87.490 4.631 7.690 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.403 4.295 9.408 1.00 1.00 H new ATOM 0 HG2 ARG X 58 89.709 3.374 9.380 1.00 1.00 H new ATOM 0 HG3 ARG X 58 89.801 3.590 7.644 1.00 1.00 H new ATOM 0 HD2 ARG X 58 89.537 6.046 7.894 1.00 1.00 H new ATOM 0 HD3 ARG X 58 89.310 5.874 9.623 1.00 1.00 H new ATOM 0 HE ARG X 58 91.761 4.634 9.175 1.00 1.00 H new ATOM 0 HH11 ARG X 58 90.290 7.726 8.406 1.00 1.00 H new ATOM 0 HH12 ARG X 58 91.815 8.615 8.473 1.00 1.00 H new ATOM 0 HH21 ARG X 58 93.715 5.788 9.263 1.00 1.00 H new ATOM 0 HH22 ARG X 58 93.738 7.527 8.954 1.00 1.00 H new ATOM 1004 N VAL X 59 84.975 2.874 8.314 1.00 1.00 N ATOM 1005 CA VAL X 59 83.653 2.700 8.908 1.00 1.00 C ATOM 1006 C VAL X 59 83.248 1.234 8.891 1.00 1.00 C ATOM 1007 O VAL X 59 82.730 0.709 9.875 1.00 1.00 O ATOM 1008 CB VAL X 59 82.618 3.512 8.132 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.318 3.598 8.930 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.165 4.914 7.891 1.00 1.00 C ATOM 0 H VAL X 59 84.999 3.461 7.480 1.00 1.00 H new ATOM 0 HA VAL X 59 83.696 3.049 9.940 1.00 1.00 H new ATOM 0 HB VAL X 59 82.415 3.026 7.178 1.00 1.00 H new ATOM 0 HG11 VAL X 59 80.585 4.179 8.370 1.00 1.00 H new ATOM 0 HG12 VAL X 59 80.930 2.594 9.103 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.510 4.083 9.887 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.432 5.500 7.337 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.367 5.395 8.848 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.088 4.850 7.315 1.00 1.00 H new ATOM 1020 N GLY X 60 83.476 0.578 7.763 1.00 1.00 N ATOM 1021 CA GLY X 60 83.111 -0.822 7.633 1.00 1.00 C ATOM 1022 C GLY X 60 83.921 -1.698 8.577 1.00 1.00 C ATOM 1023 O GLY X 60 83.357 -2.500 9.303 1.00 1.00 O ATOM 0 H GLY X 60 83.907 0.988 6.934 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.048 -0.943 7.844 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.271 -1.147 6.605 1.00 1.00 H new ATOM 1027 N ASP X 61 85.238 -1.538 8.571 1.00 1.00 N ATOM 1028 CA ASP X 61 86.102 -2.333 9.436 1.00 1.00 C ATOM 1029 C ASP X 61 85.776 -2.102 10.910 1.00 1.00 C ATOM 1030 O ASP X 61 85.756 -3.042 11.704 1.00 1.00 O ATOM 1031 CB ASP X 61 87.562 -1.959 9.186 1.00 1.00 C ATOM 1032 CG ASP X 61 88.478 -2.816 10.052 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.963 -3.615 10.817 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.684 -2.668 9.930 1.00 1.00 O ATOM 0 H ASP X 61 85.730 -0.868 7.980 1.00 1.00 H new ATOM 0 HA ASP X 61 85.935 -3.385 9.203 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.807 -2.101 8.133 1.00 1.00 H new ATOM 0 HB3 ASP X 61 87.719 -0.904 9.410 1.00 1.00 H new ATOM 1039 N CYS X 62 85.531 -0.849 11.274 1.00 1.00 N ATOM 1040 CA CYS X 62 85.221 -0.520 12.666 1.00 1.00 C ATOM 1041 C CYS X 62 83.880 -1.122 13.092 1.00 1.00 C ATOM 1042 O CYS X 62 83.806 -1.931 14.028 1.00 1.00 O ATOM 1043 CB CYS X 62 85.170 1.001 12.831 1.00 1.00 C ATOM 1044 SG CYS X 62 86.784 1.713 12.421 1.00 1.00 S ATOM 0 H CYS X 62 85.540 -0.052 10.637 1.00 1.00 H new ATOM 0 HA CYS X 62 86.003 -0.941 13.299 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.401 1.421 12.183 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.898 1.257 13.855 1.00 1.00 H new ATOM 0 HG CYS X 62 86.931 1.740 11.130 1.00 1.00 H new ATOM 1050 N PHE X 63 82.822 -0.726 12.395 1.00 1.00 N ATOM 1051 CA PHE X 63 81.493 -1.226 12.708 1.00 1.00 C ATOM 1052 C PHE X 63 81.430 -2.734 12.539 1.00 1.00 C ATOM 1053 O PHE X 63 80.851 -3.423 13.365 1.00 1.00 O ATOM 1054 CB PHE X 63 80.446 -0.568 11.812 1.00 1.00 C ATOM 1055 CG PHE X 63 80.000 0.735 12.431 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.930 0.748 13.334 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.649 1.932 12.098 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.509 1.955 13.905 1.00 1.00 C ATOM 1059 CE2 PHE X 63 80.227 3.138 12.669 1.00 1.00 C ATOM 1060 CZ PHE X 63 79.157 3.150 13.572 1.00 1.00 C ATOM 0 H PHE X 63 82.859 -0.067 11.617 1.00 1.00 H new ATOM 0 HA PHE X 63 81.280 -0.978 13.748 1.00 1.00 H new ATOM 0 HB2 PHE X 63 80.862 -0.388 10.821 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.592 -1.233 11.684 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.429 -0.174 13.590 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.474 1.924 11.401 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.684 1.964 14.602 1.00 1.00 H new ATOM 0 HE2 PHE X 63 80.727 4.060 12.413 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.832 4.081 14.012 1.00 1.00 H new ATOM 1070 N GLN X 64 82.023 -3.241 11.466 1.00 1.00 N ATOM 1071 CA GLN X 64 82.015 -4.674 11.202 1.00 1.00 C ATOM 1072 C GLN X 64 82.538 -5.454 12.398 1.00 1.00 C ATOM 1073 O GLN X 64 82.011 -6.509 12.730 1.00 1.00 O ATOM 1074 CB GLN X 64 82.890 -4.990 9.993 1.00 1.00 C ATOM 1075 CG GLN X 64 83.055 -6.496 9.870 1.00 1.00 C ATOM 1076 CD GLN X 64 84.323 -6.937 10.596 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.226 -7.745 11.617 1.00 1.00 O flip ATOM 1078 NE2 GLN X 64 85.426 -6.535 10.228 1.00 1.00 N flip ATOM 0 H GLN X 64 82.514 -2.684 10.767 1.00 1.00 H new ATOM 0 HA GLN X 64 80.984 -4.968 11.006 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.437 -4.587 9.087 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.865 -4.514 10.101 1.00 1.00 H new ATOM 0 HG2 GLN X 64 82.188 -7.002 10.294 1.00 1.00 H new ATOM 0 HG3 GLN X 64 83.109 -6.781 8.819 1.00 1.00 H new ATOM 0 HE21 GLN X 64 85.499 -5.904 9.430 1.00 1.00 H new ATOM 0 HE22 GLN X 64 86.268 -6.833 10.721 1.00 1.00 H new ATOM 1087 N ASP X 65 83.583 -4.943 13.034 1.00 1.00 N ATOM 1088 CA ASP X 65 84.160 -5.633 14.179 1.00 1.00 C ATOM 1089 C ASP X 65 83.125 -5.782 15.292 1.00 1.00 C ATOM 1090 O ASP X 65 82.947 -6.869 15.846 1.00 1.00 O ATOM 1091 CB ASP X 65 85.367 -4.847 14.704 1.00 1.00 C ATOM 1092 CG ASP X 65 86.612 -5.164 13.872 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.518 -6.007 12.996 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.640 -4.559 14.129 1.00 1.00 O ATOM 0 H ASP X 65 84.042 -4.068 12.782 1.00 1.00 H new ATOM 0 HA ASP X 65 84.480 -6.625 13.861 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.158 -3.778 14.665 1.00 1.00 H new ATOM 0 HB3 ASP X 65 85.546 -5.099 15.749 1.00 1.00 H new ATOM 1099 N TYR X 66 82.441 -4.689 15.618 1.00 1.00 N ATOM 1100 CA TYR X 66 81.429 -4.728 16.678 1.00 1.00 C ATOM 1101 C TYR X 66 80.162 -5.449 16.215 1.00 1.00 C ATOM 1102 O TYR X 66 79.574 -6.235 16.959 1.00 1.00 O ATOM 1103 CB TYR X 66 81.083 -3.303 17.104 1.00 1.00 C ATOM 1104 CG TYR X 66 82.311 -2.427 16.968 1.00 1.00 C ATOM 1105 CD1 TYR X 66 83.566 -2.898 17.370 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.184 -1.140 16.432 1.00 1.00 C ATOM 1107 CE1 TYR X 66 84.696 -2.082 17.236 1.00 1.00 C ATOM 1108 CE2 TYR X 66 83.314 -0.324 16.298 1.00 1.00 C ATOM 1109 CZ TYR X 66 84.570 -0.795 16.700 1.00 1.00 C ATOM 1110 OH TYR X 66 85.683 0.009 16.567 1.00 1.00 O ATOM 0 H TYR X 66 82.563 -3.779 15.175 1.00 1.00 H new ATOM 0 HA TYR X 66 81.841 -5.280 17.522 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.274 -2.913 16.486 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.729 -3.295 18.135 1.00 1.00 H new ATOM 0 HD1 TYR X 66 83.663 -3.891 17.784 1.00 1.00 H new ATOM 0 HD2 TYR X 66 81.215 -0.777 16.122 1.00 1.00 H new ATOM 0 HE1 TYR X 66 85.665 -2.445 17.546 1.00 1.00 H new ATOM 0 HE2 TYR X 66 83.217 0.669 15.884 1.00 1.00 H new ATOM 0 HH TYR X 66 85.421 0.869 16.177 1.00 1.00 H new ATOM 1120 N TYR X 67 79.749 -5.169 14.988 1.00 1.00 N ATOM 1121 CA TYR X 67 78.553 -5.780 14.415 1.00 1.00 C ATOM 1122 C TYR X 67 78.726 -7.291 14.287 1.00 1.00 C ATOM 1123 O TYR X 67 77.800 -8.054 14.559 1.00 1.00 O ATOM 1124 CB TYR X 67 78.268 -5.162 13.041 1.00 1.00 C ATOM 1125 CG TYR X 67 77.357 -3.964 13.204 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.558 -3.065 14.259 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.308 -3.758 12.300 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.710 -1.961 14.409 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.461 -2.654 12.450 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.661 -1.756 13.505 1.00 1.00 C ATOM 1131 OH TYR X 67 74.824 -0.669 13.654 1.00 1.00 O ATOM 0 H TYR X 67 80.226 -4.518 14.364 1.00 1.00 H new ATOM 0 HA TYR X 67 77.710 -5.590 15.079 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.201 -4.860 12.566 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.802 -5.900 12.388 1.00 1.00 H new ATOM 0 HD1 TYR X 67 78.367 -3.223 14.957 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.152 -4.451 11.487 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.865 -1.268 15.222 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.653 -2.495 11.752 1.00 1.00 H new ATOM 0 HH TYR X 67 74.150 -0.675 12.942 1.00 1.00 H new ATOM 1141 N ASN X 68 79.914 -7.722 13.871 1.00 1.00 N ATOM 1142 CA ASN X 68 80.179 -9.144 13.717 1.00 1.00 C ATOM 1143 C ASN X 68 80.094 -9.854 15.062 1.00 1.00 C ATOM 1144 O ASN X 68 79.489 -10.920 15.173 1.00 1.00 O ATOM 1145 CB ASN X 68 81.573 -9.349 13.119 1.00 1.00 C ATOM 1146 CG ASN X 68 81.538 -9.136 11.606 1.00 1.00 C ATOM 1147 OD1 ASN X 68 82.545 -9.334 10.927 1.00 1.00 O ATOM 1148 ND2 ASN X 68 80.429 -8.751 11.036 1.00 1.00 N ATOM 0 H ASN X 68 80.698 -7.113 13.638 1.00 1.00 H new ATOM 0 HA ASN X 68 79.428 -9.566 13.049 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.278 -8.653 13.575 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.928 -10.355 13.343 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.396 -8.614 10.026 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.595 -8.587 11.601 1.00 1.00 H new ATOM 1155 N THR X 69 80.691 -9.255 16.086 1.00 1.00 N ATOM 1156 CA THR X 69 80.659 -9.847 17.415 1.00 1.00 C ATOM 1157 C THR X 69 79.242 -9.816 17.969 1.00 1.00 C ATOM 1158 O THR X 69 78.774 -10.784 18.569 1.00 1.00 O ATOM 1159 CB THR X 69 81.598 -9.086 18.351 1.00 1.00 C ATOM 1160 OG1 THR X 69 81.342 -7.694 18.246 1.00 1.00 O ATOM 1161 CG2 THR X 69 83.050 -9.372 17.956 1.00 1.00 C ATOM 0 H THR X 69 81.196 -8.371 16.022 1.00 1.00 H new ATOM 0 HA THR X 69 80.989 -10.883 17.344 1.00 1.00 H new ATOM 0 HB THR X 69 81.431 -9.409 19.379 1.00 1.00 H new ATOM 0 HG1 THR X 69 80.674 -7.536 17.547 1.00 1.00 H new ATOM 0 HG21 THR X 69 83.722 -8.830 18.622 1.00 1.00 H new ATOM 0 HG22 THR X 69 83.245 -10.442 18.035 1.00 1.00 H new ATOM 0 HG23 THR X 69 83.218 -9.048 16.929 1.00 1.00 H new ATOM 1169 N PHE X 70 78.560 -8.697 17.754 1.00 1.00 N ATOM 1170 CA PHE X 70 77.189 -8.551 18.227 1.00 1.00 C ATOM 1171 C PHE X 70 76.271 -9.566 17.548 1.00 1.00 C ATOM 1172 O PHE X 70 75.413 -10.166 18.197 1.00 1.00 O ATOM 1173 CB PHE X 70 76.682 -7.133 17.948 1.00 1.00 C ATOM 1174 CG PHE X 70 77.020 -6.234 19.118 1.00 1.00 C ATOM 1175 CD1 PHE X 70 78.323 -6.212 19.629 1.00 1.00 C ATOM 1176 CD2 PHE X 70 76.030 -5.427 19.689 1.00 1.00 C ATOM 1177 CE1 PHE X 70 78.635 -5.383 20.712 1.00 1.00 C ATOM 1178 CE2 PHE X 70 76.341 -4.598 20.773 1.00 1.00 C ATOM 1179 CZ PHE X 70 77.644 -4.575 21.284 1.00 1.00 C ATOM 0 H PHE X 70 78.930 -7.885 17.260 1.00 1.00 H new ATOM 0 HA PHE X 70 77.179 -8.733 19.302 1.00 1.00 H new ATOM 0 HB2 PHE X 70 77.137 -6.746 17.036 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.604 -7.146 17.786 1.00 1.00 H new ATOM 0 HD1 PHE X 70 79.087 -6.835 19.187 1.00 1.00 H new ATOM 0 HD2 PHE X 70 75.025 -5.444 19.293 1.00 1.00 H new ATOM 0 HE1 PHE X 70 79.640 -5.366 21.107 1.00 1.00 H new ATOM 0 HE2 PHE X 70 75.576 -3.977 21.215 1.00 1.00 H new ATOM 0 HZ PHE X 70 77.885 -3.934 22.119 1.00 1.00 H new ATOM 1189 N GLY X 71 76.443 -9.743 16.241 1.00 1.00 N ATOM 1190 CA GLY X 71 75.610 -10.671 15.490 1.00 1.00 C ATOM 1191 C GLY X 71 75.424 -10.187 14.055 1.00 1.00 C ATOM 1192 O GLY X 71 75.635 -10.941 13.105 1.00 1.00 O ATOM 0 H GLY X 71 77.148 -9.258 15.685 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.068 -11.660 15.489 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.639 -10.770 15.975 1.00 1.00 H new ATOM 1196 N PRO X 72 75.034 -8.946 13.883 1.00 1.00 N ATOM 1197 CA PRO X 72 74.816 -8.357 12.529 1.00 1.00 C ATOM 1198 C PRO X 72 76.005 -8.582 11.601 1.00 1.00 C ATOM 1199 O PRO X 72 77.042 -7.936 11.722 1.00 1.00 O ATOM 1200 CB PRO X 72 74.611 -6.865 12.807 1.00 1.00 C ATOM 1201 CG PRO X 72 74.172 -6.768 14.229 1.00 1.00 C ATOM 1202 CD PRO X 72 74.755 -7.976 14.958 1.00 1.00 C ATOM 0 HA PRO X 72 73.971 -8.818 12.017 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.534 -6.308 12.645 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.861 -6.443 12.138 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.523 -5.839 14.679 1.00 1.00 H new ATOM 0 HG3 PRO X 72 73.084 -6.764 14.298 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.662 -7.713 15.503 1.00 1.00 H new ATOM 0 HD3 PRO X 72 74.051 -8.380 15.686 1.00 1.00 H new ATOM 1210 N GLU X 73 75.838 -9.508 10.670 1.00 1.00 N ATOM 1211 CA GLU X 73 76.889 -9.820 9.714 1.00 1.00 C ATOM 1212 C GLU X 73 76.744 -8.982 8.451 1.00 1.00 C ATOM 1213 O GLU X 73 77.477 -9.184 7.486 1.00 1.00 O ATOM 1214 CB GLU X 73 76.854 -11.307 9.366 1.00 1.00 C ATOM 1215 CG GLU X 73 75.534 -11.648 8.666 1.00 1.00 C ATOM 1216 CD GLU X 73 75.475 -13.138 8.356 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.481 -13.804 8.531 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.426 -13.589 7.922 1.00 1.00 O ATOM 0 H GLU X 73 74.986 -10.056 10.556 1.00 1.00 H new ATOM 0 HA GLU X 73 77.849 -9.582 10.171 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.694 -11.558 8.719 1.00 1.00 H new ATOM 0 HB3 GLU X 73 76.960 -11.904 10.272 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.694 -11.367 9.301 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.443 -11.073 7.744 1.00 1.00 H new ATOM 1225 N LYS X 74 75.778 -8.065 8.454 1.00 1.00 N ATOM 1226 CA LYS X 74 75.525 -7.219 7.287 1.00 1.00 C ATOM 1227 C LYS X 74 76.827 -6.839 6.601 1.00 1.00 C ATOM 1228 O LYS X 74 76.911 -6.840 5.374 1.00 1.00 O ATOM 1229 CB LYS X 74 74.773 -5.954 7.719 1.00 1.00 C ATOM 1230 CG LYS X 74 74.639 -4.989 6.532 1.00 1.00 C ATOM 1231 CD LYS X 74 73.838 -3.764 6.957 1.00 1.00 C ATOM 1232 CE LYS X 74 73.850 -2.749 5.817 1.00 1.00 C ATOM 1233 NZ LYS X 74 73.116 -1.524 6.236 1.00 1.00 N ATOM 0 H LYS X 74 75.160 -7.889 9.246 1.00 1.00 H new ATOM 0 HA LYS X 74 74.916 -7.780 6.578 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.785 -6.219 8.095 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.305 -5.466 8.536 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.626 -4.687 6.182 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.145 -5.488 5.699 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.814 -4.048 7.199 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.268 -3.325 7.857 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.877 -2.498 5.550 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.386 -3.178 4.929 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 73.124 -0.832 5.460 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 72.133 -1.771 6.470 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.577 -1.112 7.072 1.00 1.00 H new ATOM 1247 N VAL X 75 77.835 -6.515 7.398 1.00 1.00 N ATOM 1248 CA VAL X 75 79.130 -6.137 6.861 1.00 1.00 C ATOM 1249 C VAL X 75 80.203 -7.105 7.360 1.00 1.00 C ATOM 1250 O VAL X 75 80.852 -6.848 8.372 1.00 1.00 O ATOM 1251 CB VAL X 75 79.479 -4.711 7.287 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.809 -3.712 6.337 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.996 -4.465 8.718 1.00 1.00 C ATOM 0 H VAL X 75 77.779 -6.507 8.416 1.00 1.00 H new ATOM 0 HA VAL X 75 79.087 -6.181 5.773 1.00 1.00 H new ATOM 0 HB VAL X 75 80.560 -4.578 7.247 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.059 -2.696 6.642 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.163 -3.883 5.320 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.728 -3.846 6.372 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.247 -3.447 9.017 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.916 -4.601 8.766 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.481 -5.171 9.392 1.00 1.00 H new ATOM 1263 N PRO X 76 80.397 -8.211 6.673 1.00 1.00 N ATOM 1264 CA PRO X 76 81.417 -9.239 7.056 1.00 1.00 C ATOM 1265 C PRO X 76 82.839 -8.678 7.063 1.00 1.00 C ATOM 1266 O PRO X 76 83.158 -7.754 6.315 1.00 1.00 O ATOM 1267 CB PRO X 76 81.277 -10.324 5.979 1.00 1.00 C ATOM 1268 CG PRO X 76 79.943 -10.104 5.353 1.00 1.00 C ATOM 1269 CD PRO X 76 79.658 -8.614 5.467 1.00 1.00 C ATOM 0 HA PRO X 76 81.249 -9.607 8.068 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.074 -10.246 5.239 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.344 -11.320 6.416 1.00 1.00 H new ATOM 0 HG2 PRO X 76 79.946 -10.421 4.310 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.174 -10.687 5.861 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.002 -8.072 4.586 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.591 -8.417 5.566 1.00 1.00 H new ATOM 1277 N VAL X 77 83.685 -9.246 7.918 1.00 1.00 N ATOM 1278 CA VAL X 77 85.074 -8.805 8.021 1.00 1.00 C ATOM 1279 C VAL X 77 85.828 -9.090 6.729 1.00 1.00 C ATOM 1280 O VAL X 77 86.788 -8.397 6.394 1.00 1.00 O ATOM 1281 CB VAL X 77 85.766 -9.512 9.188 1.00 1.00 C ATOM 1282 CG1 VAL X 77 85.831 -11.015 8.909 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.189 -8.964 9.354 1.00 1.00 C ATOM 0 H VAL X 77 83.435 -10.009 8.547 1.00 1.00 H new ATOM 0 HA VAL X 77 85.078 -7.729 8.198 1.00 1.00 H new ATOM 0 HB VAL X 77 85.200 -9.334 10.102 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.324 -11.518 9.741 1.00 1.00 H new ATOM 0 HG12 VAL X 77 84.821 -11.408 8.795 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.395 -11.191 7.993 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.679 -9.470 10.186 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.755 -9.139 8.439 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.146 -7.894 9.555 1.00 1.00 H new ATOM 1293 N THR X 78 85.391 -10.116 6.008 1.00 1.00 N ATOM 1294 CA THR X 78 86.039 -10.487 4.756 1.00 1.00 C ATOM 1295 C THR X 78 86.280 -9.251 3.891 1.00 1.00 C ATOM 1296 O THR X 78 87.069 -9.284 2.943 1.00 1.00 O ATOM 1297 CB THR X 78 85.162 -11.483 3.994 1.00 1.00 C ATOM 1298 OG1 THR X 78 83.944 -10.851 3.622 1.00 1.00 O ATOM 1299 CG2 THR X 78 84.858 -12.687 4.888 1.00 1.00 C ATOM 0 H THR X 78 84.597 -10.702 6.266 1.00 1.00 H new ATOM 0 HA THR X 78 87.000 -10.948 4.985 1.00 1.00 H new ATOM 0 HB THR X 78 85.687 -11.819 3.100 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.382 -11.487 3.132 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.233 -13.396 4.344 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.791 -13.172 5.175 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.333 -12.353 5.783 1.00 1.00 H new ATOM 1307 N ALA X 79 85.599 -8.163 4.227 1.00 1.00 N ATOM 1308 CA ALA X 79 85.743 -6.922 3.479 1.00 1.00 C ATOM 1309 C ALA X 79 87.166 -6.388 3.592 1.00 1.00 C ATOM 1310 O ALA X 79 87.698 -5.808 2.646 1.00 1.00 O ATOM 1311 CB ALA X 79 84.763 -5.874 4.004 1.00 1.00 C ATOM 0 H ALA X 79 84.945 -8.115 5.008 1.00 1.00 H new ATOM 0 HA ALA X 79 85.525 -7.129 2.431 1.00 1.00 H new ATOM 0 HB1 ALA X 79 84.880 -4.950 3.437 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.743 -6.242 3.893 1.00 1.00 H new ATOM 0 HB3 ALA X 79 84.966 -5.681 5.057 1.00 1.00 H new ATOM 1317 N PHE X 80 87.776 -6.578 4.756 1.00 1.00 N ATOM 1318 CA PHE X 80 89.134 -6.097 4.976 1.00 1.00 C ATOM 1319 C PHE X 80 90.082 -6.655 3.918 1.00 1.00 C ATOM 1320 O PHE X 80 90.861 -5.915 3.318 1.00 1.00 O ATOM 1321 CB PHE X 80 89.613 -6.529 6.366 1.00 1.00 C ATOM 1322 CG PHE X 80 91.018 -6.030 6.599 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.105 -6.681 6.002 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.234 -4.910 7.412 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.407 -6.214 6.219 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.536 -4.443 7.628 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.622 -5.093 7.031 1.00 1.00 C ATOM 0 H PHE X 80 87.357 -7.056 5.554 1.00 1.00 H new ATOM 0 HA PHE X 80 89.132 -5.009 4.906 1.00 1.00 H new ATOM 0 HB2 PHE X 80 88.945 -6.133 7.131 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.584 -7.615 6.449 1.00 1.00 H new ATOM 0 HD1 PHE X 80 91.939 -7.544 5.374 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.396 -4.407 7.872 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.245 -6.718 5.761 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.702 -3.580 8.256 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.626 -4.730 7.196 1.00 1.00 H new ATOM 1337 N SER X 81 90.019 -7.963 3.697 1.00 1.00 N ATOM 1338 CA SER X 81 90.891 -8.606 2.712 1.00 1.00 C ATOM 1339 C SER X 81 90.639 -8.025 1.322 1.00 1.00 C ATOM 1340 O SER X 81 91.576 -7.707 0.572 1.00 1.00 O ATOM 1341 CB SER X 81 90.626 -10.117 2.703 1.00 1.00 C ATOM 1342 OG SER X 81 91.498 -10.747 1.775 1.00 1.00 O ATOM 0 H SER X 81 89.381 -8.596 4.179 1.00 1.00 H new ATOM 0 HA SER X 81 91.931 -8.422 2.983 1.00 1.00 H new ATOM 0 HB2 SER X 81 90.780 -10.530 3.700 1.00 1.00 H new ATOM 0 HB3 SER X 81 89.588 -10.313 2.433 1.00 1.00 H new ATOM 0 HG SER X 81 91.329 -11.712 1.771 1.00 1.00 H new ATOM 1348 N TYR X 82 89.371 -7.863 0.988 1.00 1.00 N ATOM 1349 CA TYR X 82 89.007 -7.303 -0.299 1.00 1.00 C ATOM 1350 C TYR X 82 89.630 -5.917 -0.452 1.00 1.00 C ATOM 1351 O TYR X 82 90.203 -5.575 -1.498 1.00 1.00 O ATOM 1352 CB TYR X 82 87.469 -7.235 -0.415 1.00 1.00 C ATOM 1353 CG TYR X 82 87.035 -5.864 -0.882 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.479 -5.376 -2.116 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.214 -5.072 -0.070 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.103 -4.095 -2.539 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.839 -3.791 -0.493 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.282 -3.303 -1.727 1.00 1.00 C ATOM 1359 OH TYR X 82 85.901 -2.048 -2.147 1.00 1.00 O ATOM 0 H TYR X 82 88.582 -8.109 1.586 1.00 1.00 H new ATOM 0 HA TYR X 82 89.386 -7.938 -1.099 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.117 -7.993 -1.115 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.015 -7.458 0.551 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.112 -5.987 -2.742 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.870 -5.449 0.882 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.446 -3.718 -3.491 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.207 -3.179 0.134 1.00 1.00 H new ATOM 0 HH TYR X 82 84.930 -1.953 -2.054 1.00 1.00 H new ATOM 1369 N TRP X 83 89.516 -5.118 0.590 1.00 1.00 N ATOM 1370 CA TRP X 83 90.064 -3.782 0.552 1.00 1.00 C ATOM 1371 C TRP X 83 91.567 -3.828 0.289 1.00 1.00 C ATOM 1372 O TRP X 83 92.130 -2.911 -0.304 1.00 1.00 O ATOM 1373 CB TRP X 83 89.771 -3.045 1.851 1.00 1.00 C ATOM 1374 CG TRP X 83 90.469 -1.726 1.838 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.540 -0.887 0.778 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.191 -1.076 2.924 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.260 0.236 1.145 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.684 0.166 2.457 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.467 -1.441 4.254 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.420 1.016 3.282 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.208 -0.587 5.087 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.684 0.639 4.601 1.00 1.00 C ATOM 0 H TRP X 83 89.053 -5.369 1.464 1.00 1.00 H new ATOM 0 HA TRP X 83 89.588 -3.239 -0.264 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.697 -2.900 1.966 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.105 -3.638 2.702 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.106 -1.065 -0.195 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.454 1.020 0.522 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.107 -2.384 4.637 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.784 1.960 2.904 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.412 -0.876 6.107 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.254 1.291 5.246 1.00 1.00 H new ATOM 1393 N ASN X 84 92.209 -4.894 0.742 1.00 1.00 N ATOM 1394 CA ASN X 84 93.644 -5.039 0.551 1.00 1.00 C ATOM 1395 C ASN X 84 93.971 -5.010 -0.938 1.00 1.00 C ATOM 1396 O ASN X 84 94.954 -4.396 -1.361 1.00 1.00 O ATOM 1397 CB ASN X 84 94.115 -6.367 1.132 1.00 1.00 C ATOM 1398 CG ASN X 84 95.582 -6.275 1.532 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.267 -5.323 1.156 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.114 -7.215 2.264 1.00 1.00 N ATOM 0 H ASN X 84 91.764 -5.665 1.240 1.00 1.00 H new ATOM 0 HA ASN X 84 94.149 -4.217 1.058 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.509 -6.628 2.000 1.00 1.00 H new ATOM 0 HB3 ASN X 84 93.980 -7.162 0.398 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.098 -7.162 2.526 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.545 -8.003 2.575 1.00 1.00 H new ATOM 1407 N LEU X 85 93.137 -5.666 -1.734 1.00 1.00 N ATOM 1408 CA LEU X 85 93.362 -5.683 -3.168 1.00 1.00 C ATOM 1409 C LEU X 85 93.300 -4.260 -3.716 1.00 1.00 C ATOM 1410 O LEU X 85 94.092 -3.883 -4.582 1.00 1.00 O ATOM 1411 CB LEU X 85 92.325 -6.568 -3.864 1.00 1.00 C ATOM 1412 CG LEU X 85 92.762 -8.037 -3.805 1.00 1.00 C ATOM 1413 CD1 LEU X 85 93.997 -8.271 -4.685 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.091 -8.405 -2.358 1.00 1.00 C ATOM 0 H LEU X 85 92.316 -6.182 -1.418 1.00 1.00 H new ATOM 0 HA LEU X 85 94.351 -6.097 -3.365 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.354 -6.450 -3.384 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.208 -6.257 -4.902 1.00 1.00 H new ATOM 0 HG LEU X 85 91.949 -8.661 -4.175 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.290 -9.319 -4.629 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.762 -8.015 -5.718 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.818 -7.645 -4.334 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.402 -9.448 -2.310 1.00 1.00 H new ATOM 0 HD22 LEU X 85 93.898 -7.768 -1.995 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.208 -8.261 -1.736 1.00 1.00 H new ATOM 1426 N ILE X 86 92.374 -3.460 -3.200 1.00 1.00 N ATOM 1427 CA ILE X 86 92.270 -2.087 -3.658 1.00 1.00 C ATOM 1428 C ILE X 86 93.556 -1.315 -3.343 1.00 1.00 C ATOM 1429 O ILE X 86 94.065 -0.578 -4.187 1.00 1.00 O ATOM 1430 CB ILE X 86 91.088 -1.421 -2.992 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.788 -1.856 -3.677 1.00 1.00 C ATOM 1432 CG2 ILE X 86 91.247 0.090 -3.075 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.594 -1.353 -2.867 1.00 1.00 C ATOM 0 H ILE X 86 91.702 -3.732 -2.483 1.00 1.00 H new ATOM 0 HA ILE X 86 92.125 -2.085 -4.738 1.00 1.00 H new ATOM 0 HB ILE X 86 91.045 -1.720 -1.945 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.747 -1.458 -4.691 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.754 -2.942 -3.760 1.00 1.00 H new ATOM 0 HG21 ILE X 86 90.395 0.572 -2.595 1.00 1.00 H new ATOM 0 HG22 ILE X 86 92.165 0.388 -2.569 1.00 1.00 H new ATOM 0 HG23 ILE X 86 91.294 0.394 -4.121 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.669 -1.662 -3.353 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.633 -1.773 -1.862 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.627 -0.265 -2.807 1.00 1.00 H new ATOM 1445 N LYS X 87 94.090 -1.482 -2.134 1.00 1.00 N ATOM 1446 CA LYS X 87 95.320 -0.787 -1.769 1.00 1.00 C ATOM 1447 C LYS X 87 96.360 -0.951 -2.867 1.00 1.00 C ATOM 1448 O LYS X 87 97.027 0.009 -3.257 1.00 1.00 O ATOM 1449 CB LYS X 87 95.878 -1.360 -0.470 1.00 1.00 C ATOM 1450 CG LYS X 87 95.007 -0.913 0.692 1.00 1.00 C ATOM 1451 CD LYS X 87 95.616 -1.416 2.003 1.00 1.00 C ATOM 1452 CE LYS X 87 94.823 -0.849 3.177 1.00 1.00 C ATOM 1453 NZ LYS X 87 95.419 -1.306 4.463 1.00 1.00 N ATOM 0 H LYS X 87 93.699 -2.080 -1.405 1.00 1.00 H new ATOM 0 HA LYS X 87 95.092 0.271 -1.636 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.905 -2.448 -0.521 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.904 -1.022 -0.321 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.930 0.174 0.707 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.996 -1.302 0.574 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.600 -2.506 2.031 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.660 -1.111 2.073 1.00 1.00 H new ATOM 0 HE2 LYS X 87 94.822 0.240 3.134 1.00 1.00 H new ATOM 0 HE3 LYS X 87 93.784 -1.171 3.114 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 94.696 -1.279 5.210 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.771 -2.279 4.356 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.207 -0.679 4.722 1.00 1.00 H new ATOM 1467 N GLU X 88 96.479 -2.167 -3.371 1.00 1.00 N ATOM 1468 CA GLU X 88 97.428 -2.438 -4.445 1.00 1.00 C ATOM 1469 C GLU X 88 97.021 -1.704 -5.722 1.00 1.00 C ATOM 1470 O GLU X 88 97.862 -1.396 -6.567 1.00 1.00 O ATOM 1471 CB GLU X 88 97.528 -3.941 -4.718 1.00 1.00 C ATOM 1472 CG GLU X 88 98.397 -4.592 -3.645 1.00 1.00 C ATOM 1473 CD GLU X 88 98.500 -6.092 -3.904 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.038 -6.524 -4.947 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.045 -6.783 -3.060 1.00 1.00 O ATOM 0 H GLU X 88 95.940 -2.975 -3.061 1.00 1.00 H new ATOM 0 HA GLU X 88 98.405 -2.076 -4.126 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.534 -4.389 -4.719 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.957 -4.115 -5.705 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.391 -4.144 -3.648 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.969 -4.412 -2.659 1.00 1.00 H new ATOM 1482 N LEU X 89 95.727 -1.440 -5.872 1.00 1.00 N ATOM 1483 CA LEU X 89 95.249 -0.745 -7.066 1.00 1.00 C ATOM 1484 C LEU X 89 95.548 0.755 -7.008 1.00 1.00 C ATOM 1485 O LEU X 89 96.072 1.330 -7.963 1.00 1.00 O ATOM 1486 CB LEU X 89 93.739 -0.947 -7.204 1.00 1.00 C ATOM 1487 CG LEU X 89 93.221 -0.275 -8.483 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.867 -0.918 -9.712 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.704 -0.443 -8.549 1.00 1.00 C ATOM 0 H LEU X 89 95.003 -1.690 -5.199 1.00 1.00 H new ATOM 0 HA LEU X 89 95.772 -1.164 -7.926 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.509 -2.012 -7.227 1.00 1.00 H new ATOM 0 HB3 LEU X 89 93.230 -0.530 -6.335 1.00 1.00 H new ATOM 0 HG LEU X 89 93.476 0.785 -8.469 1.00 1.00 H new ATOM 0 HD11 LEU X 89 93.493 -0.434 -10.614 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.949 -0.799 -9.658 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.620 -1.979 -9.740 1.00 1.00 H new ATOM 0 HD21 LEU X 89 91.324 0.031 -9.454 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.456 -1.504 -8.564 1.00 1.00 H new ATOM 0 HD23 LEU X 89 91.248 0.024 -7.676 1.00 1.00 H new ATOM 1501 N ILE X 90 95.174 1.389 -5.899 1.00 1.00 N ATOM 1502 CA ILE X 90 95.366 2.831 -5.745 1.00 1.00 C ATOM 1503 C ILE X 90 96.841 3.188 -5.623 1.00 1.00 C ATOM 1504 O ILE X 90 97.312 4.138 -6.244 1.00 1.00 O ATOM 1505 CB ILE X 90 94.623 3.321 -4.500 1.00 1.00 C ATOM 1506 CG1 ILE X 90 93.157 2.916 -4.595 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.687 4.847 -4.419 1.00 1.00 C ATOM 1508 CD1 ILE X 90 92.506 3.013 -3.221 1.00 1.00 C ATOM 0 H ILE X 90 94.739 0.931 -5.098 1.00 1.00 H new ATOM 0 HA ILE X 90 94.968 3.318 -6.635 1.00 1.00 H new ATOM 0 HB ILE X 90 95.089 2.880 -3.619 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.636 3.563 -5.301 1.00 1.00 H new ATOM 0 HG13 ILE X 90 93.075 1.898 -4.976 1.00 1.00 H new ATOM 0 HG21 ILE X 90 94.156 5.187 -3.530 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.728 5.165 -4.363 1.00 1.00 H new ATOM 0 HG23 ILE X 90 94.223 5.278 -5.306 1.00 1.00 H new ATOM 0 HD11 ILE X 90 91.458 2.723 -3.294 1.00 1.00 H new ATOM 0 HD12 ILE X 90 93.020 2.348 -2.527 1.00 1.00 H new ATOM 0 HD13 ILE X 90 92.574 4.038 -2.858 1.00 1.00 H new ATOM 1520 N ASP X 91 97.564 2.430 -4.806 1.00 1.00 N ATOM 1521 CA ASP X 91 98.976 2.697 -4.600 1.00 1.00 C ATOM 1522 C ASP X 91 99.730 2.627 -5.926 1.00 1.00 C ATOM 1523 O ASP X 91 100.555 3.489 -6.223 1.00 1.00 O ATOM 1524 CB ASP X 91 99.545 1.676 -3.615 1.00 1.00 C ATOM 1525 CG ASP X 91 99.817 0.364 -4.321 1.00 1.00 C ATOM 1526 OD1 ASP X 91 98.969 -0.046 -5.097 1.00 1.00 O ATOM 1527 OD2 ASP X 91 100.868 -0.213 -4.094 1.00 1.00 O ATOM 0 H ASP X 91 97.198 1.635 -4.282 1.00 1.00 H new ATOM 0 HA ASP X 91 99.095 3.700 -4.191 1.00 1.00 H new ATOM 0 HB2 ASP X 91 100.466 2.058 -3.175 1.00 1.00 H new ATOM 0 HB3 ASP X 91 98.842 1.518 -2.797 1.00 1.00 H new ATOM 1532 N LYS X 92 99.435 1.607 -6.728 1.00 1.00 N ATOM 1533 CA LYS X 92 100.088 1.455 -8.024 1.00 1.00 C ATOM 1534 C LYS X 92 99.711 2.601 -8.962 1.00 1.00 C ATOM 1535 O LYS X 92 100.569 3.167 -9.642 1.00 1.00 O ATOM 1536 CB LYS X 92 99.684 0.118 -8.655 1.00 1.00 C ATOM 1537 CG LYS X 92 100.404 -1.027 -7.938 1.00 1.00 C ATOM 1538 CD LYS X 92 99.952 -2.364 -8.532 1.00 1.00 C ATOM 1539 CE LYS X 92 100.615 -3.514 -7.770 1.00 1.00 C ATOM 1540 NZ LYS X 92 102.077 -3.524 -8.063 1.00 1.00 N ATOM 0 H LYS X 92 98.755 0.880 -6.506 1.00 1.00 H new ATOM 0 HA LYS X 92 101.167 1.476 -7.869 1.00 1.00 H new ATOM 0 HB2 LYS X 92 98.605 -0.017 -8.585 1.00 1.00 H new ATOM 0 HB3 LYS X 92 99.938 0.113 -9.715 1.00 1.00 H new ATOM 0 HG2 LYS X 92 101.483 -0.916 -8.044 1.00 1.00 H new ATOM 0 HG3 LYS X 92 100.184 -0.998 -6.871 1.00 1.00 H new ATOM 0 HD2 LYS X 92 98.867 -2.452 -8.472 1.00 1.00 H new ATOM 0 HD3 LYS X 92 100.218 -2.413 -9.588 1.00 1.00 H new ATOM 0 HE2 LYS X 92 100.448 -3.399 -6.699 1.00 1.00 H new ATOM 0 HE3 LYS X 92 100.168 -4.464 -8.062 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 102.485 -4.433 -7.763 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 102.227 -3.397 -9.084 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 102.540 -2.749 -7.546 1.00 1.00 H new ATOM 1554 N LYS X 93 98.424 2.935 -8.989 1.00 1.00 N ATOM 1555 CA LYS X 93 97.931 4.015 -9.842 1.00 1.00 C ATOM 1556 C LYS X 93 96.973 4.907 -9.071 1.00 1.00 C ATOM 1557 O LYS X 93 96.145 4.432 -8.296 1.00 1.00 O ATOM 1558 CB LYS X 93 97.227 3.430 -11.065 1.00 1.00 C ATOM 1559 CG LYS X 93 98.249 2.697 -11.944 1.00 1.00 C ATOM 1560 CD LYS X 93 97.535 2.057 -13.138 1.00 1.00 C ATOM 1561 CE LYS X 93 98.560 1.367 -14.042 1.00 1.00 C ATOM 1562 NZ LYS X 93 97.862 0.759 -15.211 1.00 1.00 N ATOM 0 H LYS X 93 97.704 2.475 -8.432 1.00 1.00 H new ATOM 0 HA LYS X 93 98.779 4.616 -10.169 1.00 1.00 H new ATOM 0 HB2 LYS X 93 96.442 2.742 -10.751 1.00 1.00 H new ATOM 0 HB3 LYS X 93 96.745 4.225 -11.635 1.00 1.00 H new ATOM 0 HG2 LYS X 93 99.010 3.395 -12.294 1.00 1.00 H new ATOM 0 HG3 LYS X 93 98.762 1.932 -11.362 1.00 1.00 H new ATOM 0 HD2 LYS X 93 96.798 1.333 -12.789 1.00 1.00 H new ATOM 0 HD3 LYS X 93 96.993 2.817 -13.700 1.00 1.00 H new ATOM 0 HE2 LYS X 93 99.303 2.088 -14.383 1.00 1.00 H new ATOM 0 HE3 LYS X 93 99.094 0.598 -13.484 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 98.558 0.290 -15.825 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 97.169 0.060 -14.876 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 97.372 1.503 -15.748 1.00 1.00 H new ATOM 1576 N GLU X 94 97.098 6.203 -9.300 1.00 1.00 N ATOM 1577 CA GLU X 94 96.247 7.178 -8.632 1.00 1.00 C ATOM 1578 C GLU X 94 94.945 7.347 -9.395 1.00 1.00 C ATOM 1579 O GLU X 94 94.047 8.069 -8.959 1.00 1.00 O ATOM 1580 CB GLU X 94 96.962 8.528 -8.530 1.00 1.00 C ATOM 1581 CG GLU X 94 98.151 8.408 -7.575 1.00 1.00 C ATOM 1582 CD GLU X 94 98.928 9.720 -7.541 1.00 1.00 C ATOM 1583 OE1 GLU X 94 98.541 10.633 -8.251 1.00 1.00 O ATOM 1584 OE2 GLU X 94 99.898 9.792 -6.806 1.00 1.00 O ATOM 0 H GLU X 94 97.780 6.606 -9.943 1.00 1.00 H new ATOM 0 HA GLU X 94 96.029 6.815 -7.628 1.00 1.00 H new ATOM 0 HB2 GLU X 94 97.304 8.845 -9.515 1.00 1.00 H new ATOM 0 HB3 GLU X 94 96.271 9.291 -8.172 1.00 1.00 H new ATOM 0 HG2 GLU X 94 97.800 8.158 -6.574 1.00 1.00 H new ATOM 0 HG3 GLU X 94 98.805 7.597 -7.895 1.00 1.00 H new ATOM 1591 N VAL X 95 94.852 6.676 -10.539 1.00 1.00 N ATOM 1592 CA VAL X 95 93.649 6.757 -11.363 1.00 1.00 C ATOM 1593 C VAL X 95 93.189 5.364 -11.788 1.00 1.00 C ATOM 1594 O VAL X 95 93.959 4.406 -11.744 1.00 1.00 O ATOM 1595 CB VAL X 95 93.915 7.612 -12.603 1.00 1.00 C ATOM 1596 CG1 VAL X 95 94.187 9.057 -12.181 1.00 1.00 C ATOM 1597 CG2 VAL X 95 95.134 7.062 -13.344 1.00 1.00 C ATOM 0 H VAL X 95 95.586 6.076 -10.914 1.00 1.00 H new ATOM 0 HA VAL X 95 92.861 7.219 -10.769 1.00 1.00 H new ATOM 0 HB VAL X 95 93.044 7.584 -13.257 1.00 1.00 H new ATOM 0 HG11 VAL X 95 94.376 9.665 -13.066 1.00 1.00 H new ATOM 0 HG12 VAL X 95 93.320 9.450 -11.649 1.00 1.00 H new ATOM 0 HG13 VAL X 95 95.058 9.087 -11.527 1.00 1.00 H new ATOM 0 HG21 VAL X 95 95.327 7.669 -14.229 1.00 1.00 H new ATOM 0 HG22 VAL X 95 96.003 7.092 -12.687 1.00 1.00 H new ATOM 0 HG23 VAL X 95 94.942 6.032 -13.645 1.00 1.00 H new ATOM 1607 N ASN X 96 91.928 5.264 -12.197 1.00 1.00 N ATOM 1608 CA ASN X 96 91.374 3.984 -12.628 1.00 1.00 C ATOM 1609 C ASN X 96 90.519 4.161 -13.878 1.00 1.00 C ATOM 1610 O ASN X 96 89.290 4.136 -13.810 1.00 1.00 O ATOM 1611 CB ASN X 96 90.524 3.380 -11.509 1.00 1.00 C ATOM 1612 CG ASN X 96 91.396 3.092 -10.293 1.00 1.00 C ATOM 1613 OD1 ASN X 96 92.159 2.125 -10.289 1.00 1.00 O ATOM 1614 ND2 ASN X 96 91.330 3.877 -9.253 1.00 1.00 N ATOM 0 H ASN X 96 91.275 6.046 -12.239 1.00 1.00 H new ATOM 0 HA ASN X 96 92.201 3.313 -12.860 1.00 1.00 H new ATOM 0 HB2 ASN X 96 89.722 4.067 -11.238 1.00 1.00 H new ATOM 0 HB3 ASN X 96 90.052 2.460 -11.855 1.00 1.00 H new ATOM 0 HD21 ASN X 96 91.911 3.690 -8.435 1.00 1.00 H new ATOM 0 HD22 ASN X 96 90.698 4.677 -9.258 1.00 1.00 H new ATOM 1621 N PRO X 97 91.148 4.340 -15.009 1.00 1.00 N ATOM 1622 CA PRO X 97 90.439 4.527 -16.311 1.00 1.00 C ATOM 1623 C PRO X 97 89.579 3.320 -16.671 1.00 1.00 C ATOM 1624 O PRO X 97 89.957 2.178 -16.413 1.00 1.00 O ATOM 1625 CB PRO X 97 91.577 4.717 -17.326 1.00 1.00 C ATOM 1626 CG PRO X 97 92.773 5.092 -16.516 1.00 1.00 C ATOM 1627 CD PRO X 97 92.604 4.388 -15.174 1.00 1.00 C ATOM 0 HA PRO X 97 89.747 5.369 -16.284 1.00 1.00 H new ATOM 0 HB2 PRO X 97 91.756 3.802 -17.891 1.00 1.00 H new ATOM 0 HB3 PRO X 97 91.333 5.495 -18.049 1.00 1.00 H new ATOM 0 HG2 PRO X 97 93.693 4.778 -17.009 1.00 1.00 H new ATOM 0 HG3 PRO X 97 92.834 6.172 -16.386 1.00 1.00 H new ATOM 0 HD2 PRO X 97 93.042 3.390 -15.184 1.00 1.00 H new ATOM 0 HD3 PRO X 97 93.084 4.939 -14.366 1.00 1.00 H new ATOM 1635 N GLN X 98 88.418 3.581 -17.263 1.00 1.00 N ATOM 1636 CA GLN X 98 87.512 2.506 -17.647 1.00 1.00 C ATOM 1637 C GLN X 98 88.140 1.646 -18.739 1.00 1.00 C ATOM 1638 O GLN X 98 88.041 0.420 -18.710 1.00 1.00 O ATOM 1639 CB GLN X 98 86.189 3.094 -18.148 1.00 1.00 C ATOM 1640 CG GLN X 98 85.169 1.971 -18.370 1.00 1.00 C ATOM 1641 CD GLN X 98 84.787 1.342 -17.033 1.00 1.00 C ATOM 1642 OE1 GLN X 98 84.584 2.052 -16.049 1.00 1.00 O ATOM 1643 NE2 GLN X 98 84.679 0.045 -16.939 1.00 1.00 N ATOM 0 H GLN X 98 88.085 4.519 -17.485 1.00 1.00 H new ATOM 0 HA GLN X 98 87.322 1.882 -16.774 1.00 1.00 H new ATOM 0 HB2 GLN X 98 85.802 3.810 -17.423 1.00 1.00 H new ATOM 0 HB3 GLN X 98 86.352 3.638 -19.078 1.00 1.00 H new ATOM 0 HG2 GLN X 98 84.281 2.367 -18.862 1.00 1.00 H new ATOM 0 HG3 GLN X 98 85.588 1.213 -19.031 1.00 1.00 H new ATOM 0 HE21 GLN X 98 84.848 -0.541 -17.756 1.00 1.00 H new ATOM 0 HE22 GLN X 98 84.426 -0.382 -16.048 1.00 1.00 H new ATOM 1652 N VAL X 99 88.784 2.297 -19.702 1.00 1.00 N ATOM 1653 CA VAL X 99 89.422 1.579 -20.799 1.00 1.00 C ATOM 1654 C VAL X 99 90.572 0.722 -20.282 1.00 1.00 C ATOM 1655 O VAL X 99 90.747 -0.421 -20.706 1.00 1.00 O ATOM 1656 CB VAL X 99 89.948 2.571 -21.837 1.00 1.00 C ATOM 1657 CG1 VAL X 99 88.783 3.392 -22.394 1.00 1.00 C ATOM 1658 CG2 VAL X 99 90.963 3.509 -21.178 1.00 1.00 C ATOM 0 H VAL X 99 88.878 3.312 -19.745 1.00 1.00 H new ATOM 0 HA VAL X 99 88.680 0.929 -21.262 1.00 1.00 H new ATOM 0 HB VAL X 99 90.430 2.026 -22.649 1.00 1.00 H new ATOM 0 HG11 VAL X 99 89.157 4.099 -23.134 1.00 1.00 H new ATOM 0 HG12 VAL X 99 88.059 2.725 -22.863 1.00 1.00 H new ATOM 0 HG13 VAL X 99 88.301 3.937 -21.582 1.00 1.00 H new ATOM 0 HG21 VAL X 99 91.338 4.216 -21.918 1.00 1.00 H new ATOM 0 HG22 VAL X 99 90.481 4.054 -20.366 1.00 1.00 H new ATOM 0 HG23 VAL X 99 91.793 2.925 -20.780 1.00 1.00 H new ATOM 1668 N MET X 100 91.355 1.283 -19.367 1.00 1.00 N ATOM 1669 CA MET X 100 92.490 0.563 -18.800 1.00 1.00 C ATOM 1670 C MET X 100 93.335 -0.049 -19.912 1.00 1.00 C ATOM 1671 O MET X 100 93.071 -1.185 -20.273 1.00 1.00 O ATOM 1672 CB MET X 100 91.993 -0.541 -17.860 1.00 1.00 C ATOM 1673 CG MET X 100 93.189 -1.227 -17.188 1.00 1.00 C ATOM 1674 SD MET X 100 92.600 -2.556 -16.111 1.00 1.00 S ATOM 1675 CE MET X 100 92.635 -3.875 -17.347 1.00 1.00 C ATOM 1676 OXT MET X 100 94.235 0.625 -20.386 1.00 1.00 O ATOM 0 H MET X 100 91.226 2.227 -19.004 1.00 1.00 H new ATOM 0 HA MET X 100 93.103 1.266 -18.235 1.00 1.00 H new ATOM 0 HB2 MET X 100 91.333 -0.117 -17.103 1.00 1.00 H new ATOM 0 HB3 MET X 100 91.409 -1.272 -18.419 1.00 1.00 H new ATOM 0 HG2 MET X 100 93.862 -1.630 -17.945 1.00 1.00 H new ATOM 0 HG3 MET X 100 93.759 -0.501 -16.608 1.00 1.00 H new ATOM 0 HE1 MET X 100 92.303 -4.808 -16.893 1.00 1.00 H new ATOM 0 HE2 MET X 100 91.972 -3.617 -18.173 1.00 1.00 H new ATOM 0 HE3 MET X 100 93.651 -3.996 -17.722 1.00 1.00 H new TER 1686 MET X 100