USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 835 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 54 LYS NZ :NH3+ 170:sc= -0.103 (180deg=-1.28) USER MOD Set 1.2: X 98 GLN : amide:sc= -2.77! C(o=-2.9!,f=-18!) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ 167:sc= -0.763 (180deg=-1.3) USER MOD Single : X 3 GLN : amide:sc= 0.558 K(o=0.56,f=-1.1) USER MOD Single : X 6 SER OG : rot 180:sc= 0.169 USER MOD Single : X 7 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.61) USER MOD Single : X 8 HIS : no HD1:sc= 0.466 K(o=0.47,f=-2.3!) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 16 LYS NZ :NH3+ 173:sc= -6.15! (180deg=-6.63!) USER MOD Single : X 17 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.6!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 30:sc= -0.625 USER MOD Single : X 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 75:sc= 0.186 USER MOD Single : X 42 CYS SG : rot -128:sc= -3.05! USER MOD Single : X 47 GLN : amide:sc= -0.286 K(o=-0.29,f=-0.95) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 62 CYS SG : rot 76:sc= 0.645 USER MOD Single : X 64 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -2.21! C(o=-2.2!,f=-5.8!) USER MOD Single : X 69 THR OG1 : rot 103:sc= 0.93 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.681 USER MOD Single : X 81 SER OG : rot 80:sc= 0.118 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.2!) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= 0 X(o=0,f=0.053) USER MOD Single : X 100 MET CE :methyl 141:sc= -0.156 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 74.380 -6.778 -2.149 1.00 1.00 N ATOM 2 CA MET X 1 72.996 -7.215 -1.814 1.00 1.00 C ATOM 3 C MET X 1 72.529 -8.250 -2.838 1.00 1.00 C ATOM 4 O MET X 1 72.997 -8.284 -3.959 1.00 1.00 O ATOM 5 CB MET X 1 72.058 -6.005 -1.845 1.00 1.00 C ATOM 6 CG MET X 1 70.679 -6.414 -1.321 1.00 1.00 C ATOM 7 SD MET X 1 69.583 -4.974 -1.315 1.00 1.00 S ATOM 8 CE MET X 1 68.918 -5.188 -2.984 1.00 1.00 C ATOM 0 H1 MET X 1 74.618 -5.928 -1.599 1.00 1.00 H new ATOM 0 H2 MET X 1 75.050 -7.539 -1.917 1.00 1.00 H new ATOM 0 H3 MET X 1 74.440 -6.562 -3.165 1.00 1.00 H new ATOM 0 HA MET X 1 72.984 -7.658 -0.818 1.00 1.00 H new ATOM 0 HB2 MET X 1 72.466 -5.199 -1.235 1.00 1.00 H new ATOM 0 HB3 MET X 1 71.974 -5.623 -2.862 1.00 1.00 H new ATOM 0 HG2 MET X 1 70.259 -7.201 -1.947 1.00 1.00 H new ATOM 0 HG3 MET X 1 70.767 -6.821 -0.314 1.00 1.00 H new ATOM 0 HE1 MET X 1 68.205 -4.392 -3.196 1.00 1.00 H new ATOM 0 HE2 MET X 1 69.732 -5.149 -3.708 1.00 1.00 H new ATOM 0 HE3 MET X 1 68.416 -6.153 -3.055 1.00 1.00 H new ATOM 20 N GLY X 2 71.605 -9.093 -2.465 1.00 1.00 N ATOM 21 CA GLY X 2 71.107 -10.124 -3.419 1.00 1.00 C ATOM 22 C GLY X 2 72.031 -11.339 -3.391 1.00 1.00 C ATOM 23 O GLY X 2 72.072 -12.112 -4.327 1.00 1.00 O ATOM 0 H GLY X 2 71.174 -9.112 -1.541 1.00 1.00 H new ATOM 0 HA2 GLY X 2 70.092 -10.420 -3.153 1.00 1.00 H new ATOM 0 HA3 GLY X 2 71.064 -9.711 -4.427 1.00 1.00 H new ATOM 27 N GLN X 3 72.771 -11.511 -2.325 1.00 1.00 N ATOM 28 CA GLN X 3 73.696 -12.678 -2.235 1.00 1.00 C ATOM 29 C GLN X 3 73.452 -13.417 -0.918 1.00 1.00 C ATOM 30 O GLN X 3 72.925 -12.866 0.027 1.00 1.00 O ATOM 31 CB GLN X 3 75.144 -12.184 -2.283 1.00 1.00 C ATOM 32 CG GLN X 3 76.075 -13.351 -2.621 1.00 1.00 C ATOM 33 CD GLN X 3 75.851 -13.780 -4.074 1.00 1.00 C ATOM 34 OE1 GLN X 3 75.740 -12.949 -4.954 1.00 1.00 O ATOM 35 NE2 GLN X 3 75.779 -15.050 -4.363 1.00 1.00 N ATOM 0 H GLN X 3 72.774 -10.893 -1.514 1.00 1.00 H new ATOM 0 HA GLN X 3 73.515 -13.354 -3.071 1.00 1.00 H new ATOM 0 HB2 GLN X 3 75.245 -11.397 -3.030 1.00 1.00 H new ATOM 0 HB3 GLN X 3 75.423 -11.750 -1.323 1.00 1.00 H new ATOM 0 HG2 GLN X 3 77.114 -13.055 -2.474 1.00 1.00 H new ATOM 0 HG3 GLN X 3 75.884 -14.188 -1.950 1.00 1.00 H new ATOM 0 HE21 GLN X 3 75.872 -15.747 -3.624 1.00 1.00 H new ATOM 0 HE22 GLN X 3 75.630 -15.346 -5.328 1.00 1.00 H new ATOM 44 N GLU X 4 73.831 -14.663 -0.849 1.00 1.00 N ATOM 45 CA GLU X 4 73.621 -15.440 0.402 1.00 1.00 C ATOM 46 C GLU X 4 74.339 -14.746 1.558 1.00 1.00 C ATOM 47 O GLU X 4 75.403 -14.185 1.390 1.00 1.00 O ATOM 48 CB GLU X 4 74.187 -16.853 0.226 1.00 1.00 C ATOM 49 CG GLU X 4 73.386 -17.602 -0.845 1.00 1.00 C ATOM 50 CD GLU X 4 73.896 -17.212 -2.238 1.00 1.00 C ATOM 51 OE1 GLU X 4 74.739 -16.333 -2.313 1.00 1.00 O ATOM 52 OE2 GLU X 4 73.436 -17.800 -3.203 1.00 1.00 O ATOM 0 H GLU X 4 74.278 -15.177 -1.608 1.00 1.00 H new ATOM 0 HA GLU X 4 72.554 -15.499 0.619 1.00 1.00 H new ATOM 0 HB2 GLU X 4 75.237 -16.801 -0.062 1.00 1.00 H new ATOM 0 HB3 GLU X 4 74.142 -17.393 1.172 1.00 1.00 H new ATOM 0 HG2 GLU X 4 73.483 -18.678 -0.700 1.00 1.00 H new ATOM 0 HG3 GLU X 4 72.327 -17.362 -0.755 1.00 1.00 H new ATOM 59 N LEU X 5 73.765 -14.784 2.732 1.00 1.00 N ATOM 60 CA LEU X 5 74.417 -14.127 3.900 1.00 1.00 C ATOM 61 C LEU X 5 75.192 -15.168 4.707 1.00 1.00 C ATOM 62 O LEU X 5 74.625 -15.923 5.471 1.00 1.00 O ATOM 63 CB LEU X 5 73.342 -13.490 4.788 1.00 1.00 C ATOM 64 CG LEU X 5 72.789 -12.240 4.100 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.489 -11.810 4.788 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.813 -11.100 4.193 1.00 1.00 C ATOM 0 H LEU X 5 72.875 -15.241 2.931 1.00 1.00 H new ATOM 0 HA LEU X 5 75.105 -13.358 3.548 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.538 -14.203 4.973 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.764 -13.228 5.758 1.00 1.00 H new ATOM 0 HG LEU X 5 72.592 -12.465 3.052 1.00 1.00 H new ATOM 0 HD11 LEU X 5 71.095 -10.920 4.298 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.758 -12.615 4.720 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.688 -11.589 5.837 1.00 1.00 H new ATOM 0 HD21 LEU X 5 73.415 -10.212 3.702 1.00 1.00 H new ATOM 0 HD22 LEU X 5 74.014 -10.876 5.241 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.739 -11.401 3.703 1.00 1.00 H new ATOM 78 N SER X 6 76.487 -15.206 4.550 1.00 1.00 N ATOM 79 CA SER X 6 77.304 -16.194 5.310 1.00 1.00 C ATOM 80 C SER X 6 77.532 -15.681 6.733 1.00 1.00 C ATOM 81 O SER X 6 77.218 -14.554 7.053 1.00 1.00 O ATOM 82 CB SER X 6 78.652 -16.385 4.616 1.00 1.00 C ATOM 83 OG SER X 6 79.425 -15.200 4.762 1.00 1.00 O ATOM 0 H SER X 6 77.015 -14.595 3.927 1.00 1.00 H new ATOM 0 HA SER X 6 76.777 -17.147 5.347 1.00 1.00 H new ATOM 0 HB2 SER X 6 79.181 -17.234 5.049 1.00 1.00 H new ATOM 0 HB3 SER X 6 78.502 -16.608 3.560 1.00 1.00 H new ATOM 0 HG SER X 6 80.292 -15.318 4.320 1.00 1.00 H new ATOM 89 N GLN X 7 78.074 -16.501 7.590 1.00 1.00 N ATOM 90 CA GLN X 7 78.317 -16.057 8.993 1.00 1.00 C ATOM 91 C GLN X 7 79.198 -14.805 8.984 1.00 1.00 C ATOM 92 O GLN X 7 78.967 -13.867 9.721 1.00 1.00 O ATOM 93 CB GLN X 7 79.028 -17.173 9.763 1.00 1.00 C ATOM 94 CG GLN X 7 78.126 -18.408 9.826 1.00 1.00 C ATOM 95 CD GLN X 7 76.903 -18.106 10.693 1.00 1.00 C ATOM 96 OE1 GLN X 7 77.031 -17.567 11.775 1.00 1.00 O ATOM 97 NE2 GLN X 7 75.715 -18.434 10.265 1.00 1.00 N ATOM 0 H GLN X 7 78.359 -17.458 7.381 1.00 1.00 H new ATOM 0 HA GLN X 7 77.366 -15.830 9.474 1.00 1.00 H new ATOM 0 HB2 GLN X 7 79.970 -17.423 9.275 1.00 1.00 H new ATOM 0 HB3 GLN X 7 79.271 -16.836 10.771 1.00 1.00 H new ATOM 0 HG2 GLN X 7 77.811 -18.693 8.822 1.00 1.00 H new ATOM 0 HG3 GLN X 7 78.677 -19.253 10.239 1.00 1.00 H new ATOM 0 HE21 GLN X 7 75.607 -18.886 9.357 1.00 1.00 H new ATOM 0 HE22 GLN X 7 74.894 -18.238 10.838 1.00 1.00 H new ATOM 106 N HIS X 8 80.204 -14.780 8.153 1.00 1.00 N ATOM 107 CA HIS X 8 81.095 -13.587 8.095 1.00 1.00 C ATOM 108 C HIS X 8 80.309 -12.386 7.564 1.00 1.00 C ATOM 109 O HIS X 8 80.390 -11.295 8.094 1.00 1.00 O ATOM 110 CB HIS X 8 82.273 -13.875 7.163 1.00 1.00 C ATOM 111 CG HIS X 8 83.194 -12.687 7.136 1.00 1.00 C ATOM 112 ND1 HIS X 8 84.011 -12.359 8.208 1.00 1.00 N ATOM 113 CD2 HIS X 8 83.438 -11.738 6.173 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.703 -11.255 7.869 1.00 1.00 C ATOM 115 NE2 HIS X 8 84.390 -10.839 6.642 1.00 1.00 N ATOM 0 H HIS X 8 80.447 -15.535 7.511 1.00 1.00 H new ATOM 0 HA HIS X 8 81.467 -13.364 9.095 1.00 1.00 H new ATOM 0 HB2 HIS X 8 82.812 -14.759 7.504 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.911 -14.091 6.158 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.965 -11.697 5.203 1.00 1.00 H new ATOM 0 HE1 HIS X 8 85.422 -10.767 8.511 1.00 1.00 H new ATOM 0 HE2 HIS X 8 84.769 -10.030 6.150 1.00 1.00 H new ATOM 123 N GLU X 9 79.549 -12.576 6.517 1.00 1.00 N ATOM 124 CA GLU X 9 78.763 -11.444 5.953 1.00 1.00 C ATOM 125 C GLU X 9 77.750 -10.953 6.990 1.00 1.00 C ATOM 126 O GLU X 9 77.487 -9.771 7.108 1.00 1.00 O ATOM 127 CB GLU X 9 78.029 -11.912 4.695 1.00 1.00 C ATOM 128 CG GLU X 9 79.040 -12.168 3.575 1.00 1.00 C ATOM 129 CD GLU X 9 78.313 -12.728 2.350 1.00 1.00 C ATOM 130 OE1 GLU X 9 77.104 -12.872 2.419 1.00 1.00 O ATOM 131 OE2 GLU X 9 78.979 -13.004 1.365 1.00 1.00 O ATOM 0 H GLU X 9 79.440 -13.466 6.030 1.00 1.00 H new ATOM 0 HA GLU X 9 79.436 -10.626 5.696 1.00 1.00 H new ATOM 0 HB2 GLU X 9 77.468 -12.822 4.907 1.00 1.00 H new ATOM 0 HB3 GLU X 9 77.307 -11.158 4.381 1.00 1.00 H new ATOM 0 HG2 GLU X 9 79.553 -11.242 3.315 1.00 1.00 H new ATOM 0 HG3 GLU X 9 79.802 -12.871 3.912 1.00 1.00 H new ATOM 138 N ARG X 10 77.189 -11.852 7.747 1.00 1.00 N ATOM 139 CA ARG X 10 76.198 -11.443 8.783 1.00 1.00 C ATOM 140 C ARG X 10 76.880 -10.554 9.824 1.00 1.00 C ATOM 141 O ARG X 10 76.327 -9.568 10.271 1.00 1.00 O ATOM 142 CB ARG X 10 75.628 -12.688 9.465 1.00 1.00 C ATOM 143 CG ARG X 10 74.665 -13.400 8.513 1.00 1.00 C ATOM 144 CD ARG X 10 74.199 -14.714 9.145 1.00 1.00 C ATOM 145 NE ARG X 10 73.264 -15.408 8.216 1.00 1.00 N ATOM 146 CZ ARG X 10 72.529 -16.396 8.648 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.614 -16.776 9.894 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.710 -17.004 7.835 1.00 1.00 N ATOM 0 H ARG X 10 77.373 -12.854 7.694 1.00 1.00 H new ATOM 0 HA ARG X 10 75.389 -10.887 8.310 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.437 -13.361 9.751 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.108 -12.407 10.381 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.807 -12.761 8.302 1.00 1.00 H new ATOM 0 HG3 ARG X 10 75.158 -13.597 7.561 1.00 1.00 H new ATOM 0 HD2 ARG X 10 75.057 -15.352 9.358 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.704 -14.517 10.096 1.00 1.00 H new ATOM 0 HE ARG X 10 73.198 -15.111 7.242 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.255 -16.301 10.530 1.00 1.00 H new ATOM 0 HH12 ARG X 10 72.040 -17.548 10.232 1.00 1.00 H new ATOM 0 HH21 ARG X 10 71.644 -16.707 6.861 1.00 1.00 H new ATOM 0 HH22 ARG X 10 71.136 -17.776 8.173 1.00 1.00 H new ATOM 162 N TYR X 11 78.081 -10.885 10.201 1.00 1.00 N ATOM 163 CA TYR X 11 78.806 -10.053 11.202 1.00 1.00 C ATOM 164 C TYR X 11 78.966 -8.634 10.651 1.00 1.00 C ATOM 165 O TYR X 11 78.880 -7.662 11.377 1.00 1.00 O ATOM 166 CB TYR X 11 80.183 -10.657 11.476 1.00 1.00 C ATOM 167 CG TYR X 11 80.953 -9.753 12.409 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.682 -9.771 13.783 1.00 1.00 C ATOM 169 CD2 TYR X 11 81.937 -8.897 11.901 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.396 -8.932 14.648 1.00 1.00 C ATOM 171 CE2 TYR X 11 82.651 -8.059 12.766 1.00 1.00 C ATOM 172 CZ TYR X 11 82.379 -8.077 14.140 1.00 1.00 C ATOM 173 OH TYR X 11 83.083 -7.249 14.992 1.00 1.00 O ATOM 0 H TYR X 11 78.594 -11.697 9.859 1.00 1.00 H new ATOM 0 HA TYR X 11 78.240 -10.024 12.133 1.00 1.00 H new ATOM 0 HB2 TYR X 11 80.076 -11.647 11.918 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.729 -10.783 10.541 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.923 -10.431 14.175 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.146 -8.883 10.841 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.187 -8.945 15.708 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.411 -7.399 12.374 1.00 1.00 H new ATOM 0 HH TYR X 11 83.728 -6.722 14.476 1.00 1.00 H new ATOM 183 N VAL X 12 79.210 -8.506 9.375 1.00 1.00 N ATOM 184 CA VAL X 12 79.383 -7.149 8.784 1.00 1.00 C ATOM 185 C VAL X 12 78.100 -6.343 9.000 1.00 1.00 C ATOM 186 O VAL X 12 78.137 -5.189 9.377 1.00 1.00 O ATOM 187 CB VAL X 12 79.656 -7.273 7.285 1.00 1.00 C ATOM 188 CG1 VAL X 12 79.885 -5.884 6.689 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.894 -8.139 7.064 1.00 1.00 C ATOM 0 H VAL X 12 79.297 -9.281 8.718 1.00 1.00 H new ATOM 0 HA VAL X 12 80.223 -6.646 9.263 1.00 1.00 H new ATOM 0 HB VAL X 12 78.799 -7.736 6.796 1.00 1.00 H new ATOM 0 HG11 VAL X 12 80.080 -5.974 5.620 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.998 -5.270 6.846 1.00 1.00 H new ATOM 0 HG13 VAL X 12 80.741 -5.416 7.175 1.00 1.00 H new ATOM 0 HG21 VAL X 12 81.090 -8.228 5.995 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.752 -7.678 7.553 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.725 -9.130 7.486 1.00 1.00 H new ATOM 199 N GLU X 13 76.965 -6.942 8.759 1.00 1.00 N ATOM 200 CA GLU X 13 75.682 -6.205 8.950 1.00 1.00 C ATOM 201 C GLU X 13 75.612 -5.674 10.383 1.00 1.00 C ATOM 202 O GLU X 13 75.311 -4.519 10.612 1.00 1.00 O ATOM 203 CB GLU X 13 74.509 -7.154 8.703 1.00 1.00 C ATOM 204 CG GLU X 13 73.198 -6.367 8.749 1.00 1.00 C ATOM 205 CD GLU X 13 72.026 -7.308 8.470 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.276 -8.430 8.061 1.00 1.00 O ATOM 207 OE2 GLU X 13 70.897 -6.892 8.669 1.00 1.00 O ATOM 0 H GLU X 13 76.870 -7.906 8.439 1.00 1.00 H new ATOM 0 HA GLU X 13 75.631 -5.373 8.248 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.619 -7.641 7.734 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.500 -7.941 9.457 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.077 -5.899 9.726 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.217 -5.565 8.011 1.00 1.00 H new ATOM 214 N GLN X 14 75.900 -6.501 11.351 1.00 1.00 N ATOM 215 CA GLN X 14 75.859 -6.031 12.764 1.00 1.00 C ATOM 216 C GLN X 14 76.927 -4.956 12.962 1.00 1.00 C ATOM 217 O GLN X 14 76.730 -3.988 13.674 1.00 1.00 O ATOM 218 CB GLN X 14 76.137 -7.204 13.705 1.00 1.00 C ATOM 219 CG GLN X 14 76.088 -6.720 15.156 1.00 1.00 C ATOM 220 CD GLN X 14 76.268 -7.910 16.099 1.00 1.00 C ATOM 221 OE1 GLN X 14 77.308 -8.537 16.113 1.00 1.00 O ATOM 222 NE2 GLN X 14 75.289 -8.250 16.893 1.00 1.00 N ATOM 0 H GLN X 14 76.161 -7.479 11.225 1.00 1.00 H new ATOM 0 HA GLN X 14 74.874 -5.620 12.985 1.00 1.00 H new ATOM 0 HB2 GLN X 14 75.400 -7.992 13.549 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.114 -7.634 13.487 1.00 1.00 H new ATOM 0 HG2 GLN X 14 76.871 -5.983 15.331 1.00 1.00 H new ATOM 0 HG3 GLN X 14 75.136 -6.227 15.354 1.00 1.00 H new ATOM 0 HE21 GLN X 14 74.416 -7.723 16.881 1.00 1.00 H new ATOM 0 HE22 GLN X 14 75.397 -9.043 17.526 1.00 1.00 H new ATOM 231 N LEU X 15 78.056 -5.115 12.335 1.00 1.00 N ATOM 232 CA LEU X 15 79.127 -4.102 12.486 1.00 1.00 C ATOM 233 C LEU X 15 78.631 -2.762 11.943 1.00 1.00 C ATOM 234 O LEU X 15 78.869 -1.718 12.520 1.00 1.00 O ATOM 235 CB LEU X 15 80.373 -4.544 11.704 1.00 1.00 C ATOM 236 CG LEU X 15 81.445 -3.450 11.766 1.00 1.00 C ATOM 237 CD1 LEU X 15 81.762 -3.124 13.225 1.00 1.00 C ATOM 238 CD2 LEU X 15 82.711 -3.940 11.066 1.00 1.00 C ATOM 0 H LEU X 15 78.281 -5.902 11.726 1.00 1.00 H new ATOM 0 HA LEU X 15 79.384 -3.999 13.540 1.00 1.00 H new ATOM 0 HB2 LEU X 15 80.764 -5.472 12.121 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.108 -4.747 10.666 1.00 1.00 H new ATOM 0 HG LEU X 15 81.077 -2.553 11.268 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.524 -2.346 13.267 1.00 1.00 H new ATOM 0 HD12 LEU X 15 80.859 -2.774 13.724 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.130 -4.019 13.726 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.474 -3.163 11.109 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.078 -4.837 11.564 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.485 -4.169 10.025 1.00 1.00 H new ATOM 250 N LYS X 16 77.955 -2.784 10.829 1.00 1.00 N ATOM 251 CA LYS X 16 77.451 -1.517 10.233 1.00 1.00 C ATOM 252 C LYS X 16 76.501 -0.841 11.225 1.00 1.00 C ATOM 253 O LYS X 16 76.539 0.358 11.414 1.00 1.00 O ATOM 254 CB LYS X 16 76.694 -1.829 8.940 1.00 1.00 C ATOM 255 CG LYS X 16 76.357 -0.523 8.221 1.00 1.00 C ATOM 256 CD LYS X 16 75.595 -0.833 6.930 1.00 1.00 C ATOM 257 CE LYS X 16 75.284 0.472 6.193 1.00 1.00 C ATOM 258 NZ LYS X 16 74.532 0.167 4.943 1.00 1.00 N ATOM 0 H LYS X 16 77.729 -3.629 10.304 1.00 1.00 H new ATOM 0 HA LYS X 16 78.289 -0.855 10.013 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.300 -2.466 8.296 1.00 1.00 H new ATOM 0 HB3 LYS X 16 75.780 -2.380 9.164 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.754 0.115 8.867 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.271 0.026 7.994 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.189 -1.489 6.294 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.670 -1.362 7.159 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.697 1.132 6.832 1.00 1.00 H new ATOM 0 HE3 LYS X 16 76.209 0.998 5.955 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 74.217 1.055 4.502 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 75.150 -0.347 4.283 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.704 -0.420 5.170 1.00 1.00 H new ATOM 272 N GLN X 17 75.652 -1.600 11.864 1.00 1.00 N ATOM 273 CA GLN X 17 74.708 -0.990 12.844 1.00 1.00 C ATOM 274 C GLN X 17 75.506 -0.198 13.882 1.00 1.00 C ATOM 275 O GLN X 17 75.168 0.921 14.220 1.00 1.00 O ATOM 276 CB GLN X 17 73.914 -2.095 13.545 1.00 1.00 C ATOM 277 CG GLN X 17 72.927 -2.722 12.559 1.00 1.00 C ATOM 278 CD GLN X 17 72.158 -3.847 13.252 1.00 1.00 C ATOM 279 OE1 GLN X 17 72.749 -4.772 13.774 1.00 1.00 O ATOM 280 NE2 GLN X 17 70.854 -3.809 13.278 1.00 1.00 N ATOM 0 H GLN X 17 75.571 -2.610 11.751 1.00 1.00 H new ATOM 0 HA GLN X 17 74.018 -0.325 12.324 1.00 1.00 H new ATOM 0 HB2 GLN X 17 74.593 -2.856 13.930 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.378 -1.685 14.401 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.233 -1.966 12.192 1.00 1.00 H new ATOM 0 HG3 GLN X 17 73.461 -3.112 11.692 1.00 1.00 H new ATOM 0 HE21 GLN X 17 70.358 -3.033 12.840 1.00 1.00 H new ATOM 0 HE22 GLN X 17 70.331 -4.555 13.736 1.00 1.00 H new ATOM 289 N ALA X 18 76.574 -0.763 14.376 1.00 1.00 N ATOM 290 CA ALA X 18 77.405 -0.038 15.379 1.00 1.00 C ATOM 291 C ALA X 18 78.004 1.211 14.727 1.00 1.00 C ATOM 292 O ALA X 18 78.120 2.251 15.346 1.00 1.00 O ATOM 293 CB ALA X 18 78.531 -0.950 15.866 1.00 1.00 C ATOM 0 H ALA X 18 76.907 -1.695 14.129 1.00 1.00 H new ATOM 0 HA ALA X 18 76.785 0.252 16.227 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.138 -0.419 16.599 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.104 -1.841 16.326 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.155 -1.241 15.021 1.00 1.00 H new ATOM 299 N LEU X 19 78.379 1.121 13.482 1.00 1.00 N ATOM 300 CA LEU X 19 78.963 2.304 12.789 1.00 1.00 C ATOM 301 C LEU X 19 77.914 3.414 12.725 1.00 1.00 C ATOM 302 O LEU X 19 78.216 4.578 12.894 1.00 1.00 O ATOM 303 CB LEU X 19 79.388 1.913 11.371 1.00 1.00 C ATOM 304 CG LEU X 19 80.577 0.951 11.441 1.00 1.00 C ATOM 305 CD1 LEU X 19 80.888 0.422 10.040 1.00 1.00 C ATOM 306 CD2 LEU X 19 81.804 1.683 11.996 1.00 1.00 C ATOM 0 H LEU X 19 78.306 0.278 12.913 1.00 1.00 H new ATOM 0 HA LEU X 19 79.836 2.656 13.338 1.00 1.00 H new ATOM 0 HB2 LEU X 19 78.556 1.442 10.847 1.00 1.00 H new ATOM 0 HB3 LEU X 19 79.659 2.803 10.803 1.00 1.00 H new ATOM 0 HG LEU X 19 80.328 0.118 12.098 1.00 1.00 H new ATOM 0 HD11 LEU X 19 81.734 -0.263 10.089 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.018 -0.104 9.648 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.134 1.256 9.383 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.648 0.994 12.044 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.055 2.519 11.343 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.583 2.057 12.996 1.00 1.00 H new ATOM 318 N LYS X 20 76.682 3.060 12.485 1.00 1.00 N ATOM 319 CA LYS X 20 75.610 4.095 12.416 1.00 1.00 C ATOM 320 C LYS X 20 75.536 4.835 13.752 1.00 1.00 C ATOM 321 O LYS X 20 75.389 6.040 13.798 1.00 1.00 O ATOM 322 CB LYS X 20 74.264 3.423 12.135 1.00 1.00 C ATOM 323 CG LYS X 20 74.247 2.895 10.699 1.00 1.00 C ATOM 324 CD LYS X 20 72.884 2.263 10.405 1.00 1.00 C ATOM 325 CE LYS X 20 72.868 1.728 8.973 1.00 1.00 C ATOM 326 NZ LYS X 20 71.522 1.173 8.663 1.00 1.00 N ATOM 0 H LYS X 20 76.370 2.101 12.334 1.00 1.00 H new ATOM 0 HA LYS X 20 75.837 4.800 11.616 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.100 2.605 12.836 1.00 1.00 H new ATOM 0 HB3 LYS X 20 73.452 4.135 12.281 1.00 1.00 H new ATOM 0 HG2 LYS X 20 74.442 3.707 9.999 1.00 1.00 H new ATOM 0 HG3 LYS X 20 75.039 2.159 10.561 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.687 1.454 11.109 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.093 3.001 10.538 1.00 1.00 H new ATOM 0 HE2 LYS X 20 73.113 2.527 8.273 1.00 1.00 H new ATOM 0 HE3 LYS X 20 73.627 0.955 8.854 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 71.512 0.809 7.689 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 71.305 0.399 9.323 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 70.807 1.922 8.760 1.00 1.00 H new ATOM 340 N THR X 21 75.651 4.125 14.839 1.00 1.00 N ATOM 341 CA THR X 21 75.600 4.787 16.173 1.00 1.00 C ATOM 342 C THR X 21 76.726 5.818 16.267 1.00 1.00 C ATOM 343 O THR X 21 76.558 6.888 16.817 1.00 1.00 O ATOM 344 CB THR X 21 75.768 3.737 17.272 1.00 1.00 C ATOM 345 OG1 THR X 21 74.901 2.641 17.011 1.00 1.00 O ATOM 346 CG2 THR X 21 75.421 4.353 18.628 1.00 1.00 C ATOM 0 H THR X 21 75.778 3.113 14.862 1.00 1.00 H new ATOM 0 HA THR X 21 74.639 5.286 16.299 1.00 1.00 H new ATOM 0 HB THR X 21 76.801 3.389 17.289 1.00 1.00 H new ATOM 0 HG1 THR X 21 75.008 1.965 17.713 1.00 1.00 H new ATOM 0 HG21 THR X 21 75.541 3.603 19.410 1.00 1.00 H new ATOM 0 HG22 THR X 21 76.086 5.194 18.826 1.00 1.00 H new ATOM 0 HG23 THR X 21 74.388 4.702 18.616 1.00 1.00 H new ATOM 354 N ARG X 22 77.877 5.502 15.742 1.00 1.00 N ATOM 355 CA ARG X 22 79.013 6.461 15.808 1.00 1.00 C ATOM 356 C ARG X 22 78.710 7.663 14.916 1.00 1.00 C ATOM 357 O ARG X 22 79.318 8.707 15.046 1.00 1.00 O ATOM 358 CB ARG X 22 80.289 5.776 15.314 1.00 1.00 C ATOM 359 CG ARG X 22 80.676 4.660 16.285 1.00 1.00 C ATOM 360 CD ARG X 22 81.951 3.973 15.794 1.00 1.00 C ATOM 361 NE ARG X 22 82.323 2.883 16.738 1.00 1.00 N ATOM 362 CZ ARG X 22 83.524 2.372 16.706 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.399 2.814 15.845 1.00 1.00 N ATOM 364 NH2 ARG X 22 83.850 1.419 17.536 1.00 1.00 N ATOM 0 H ARG X 22 78.079 4.621 15.270 1.00 1.00 H new ATOM 0 HA ARG X 22 79.151 6.791 16.838 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.132 5.366 14.316 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.098 6.502 15.237 1.00 1.00 H new ATOM 0 HG2 ARG X 22 80.833 5.070 17.283 1.00 1.00 H new ATOM 0 HG3 ARG X 22 79.866 3.934 16.362 1.00 1.00 H new ATOM 0 HD2 ARG X 22 81.796 3.566 14.795 1.00 1.00 H new ATOM 0 HD3 ARG X 22 82.762 4.698 15.721 1.00 1.00 H new ATOM 0 HE ARG X 22 81.639 2.535 17.410 1.00 1.00 H new ATOM 0 HH11 ARG X 22 84.145 3.559 15.196 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.337 2.414 15.820 1.00 1.00 H new ATOM 0 HH21 ARG X 22 83.166 1.073 18.210 1.00 1.00 H new ATOM 0 HH22 ARG X 22 84.788 1.020 17.511 1.00 1.00 H new ATOM 378 N GLY X 23 77.775 7.524 14.012 1.00 1.00 N ATOM 379 CA GLY X 23 77.429 8.660 13.106 1.00 1.00 C ATOM 380 C GLY X 23 77.924 8.352 11.698 1.00 1.00 C ATOM 381 O GLY X 23 78.537 9.181 11.058 1.00 1.00 O ATOM 0 H GLY X 23 77.235 6.672 13.862 1.00 1.00 H new ATOM 0 HA2 GLY X 23 76.351 8.818 13.098 1.00 1.00 H new ATOM 0 HA3 GLY X 23 77.883 9.582 13.470 1.00 1.00 H new ATOM 385 N VAL X 24 77.670 7.164 11.216 1.00 1.00 N ATOM 386 CA VAL X 24 78.128 6.788 9.846 1.00 1.00 C ATOM 387 C VAL X 24 76.923 6.383 9.003 1.00 1.00 C ATOM 388 O VAL X 24 76.072 5.644 9.448 1.00 1.00 O ATOM 389 CB VAL X 24 79.099 5.614 9.939 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.325 5.028 8.546 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.435 6.100 10.509 1.00 1.00 C ATOM 0 H VAL X 24 77.162 6.434 11.715 1.00 1.00 H new ATOM 0 HA VAL X 24 78.628 7.638 9.383 1.00 1.00 H new ATOM 0 HB VAL X 24 78.681 4.849 10.593 1.00 1.00 H new ATOM 0 HG11 VAL X 24 80.018 4.190 8.612 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.375 4.682 8.138 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.743 5.794 7.893 1.00 1.00 H new ATOM 0 HG21 VAL X 24 81.129 5.262 10.576 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.853 6.866 9.855 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.276 6.519 11.503 1.00 1.00 H new ATOM 401 N LYS X 25 76.848 6.863 7.789 1.00 1.00 N ATOM 402 CA LYS X 25 75.702 6.506 6.907 1.00 1.00 C ATOM 403 C LYS X 25 76.234 5.911 5.609 1.00 1.00 C ATOM 404 O LYS X 25 76.767 6.610 4.773 1.00 1.00 O ATOM 405 CB LYS X 25 74.890 7.763 6.600 1.00 1.00 C ATOM 406 CG LYS X 25 74.363 8.376 7.903 1.00 1.00 C ATOM 407 CD LYS X 25 73.119 7.614 8.374 1.00 1.00 C ATOM 408 CE LYS X 25 72.536 8.302 9.604 1.00 1.00 C ATOM 409 NZ LYS X 25 71.361 7.527 10.091 1.00 1.00 N ATOM 0 H LYS X 25 77.535 7.490 7.370 1.00 1.00 H new ATOM 0 HA LYS X 25 75.065 5.777 7.407 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.511 8.487 6.072 1.00 1.00 H new ATOM 0 HB3 LYS X 25 74.057 7.517 5.941 1.00 1.00 H new ATOM 0 HG2 LYS X 25 75.135 8.338 8.671 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.119 9.427 7.748 1.00 1.00 H new ATOM 0 HD2 LYS X 25 72.376 7.581 7.577 1.00 1.00 H new ATOM 0 HD3 LYS X 25 73.379 6.582 8.610 1.00 1.00 H new ATOM 0 HE2 LYS X 25 73.290 8.372 10.388 1.00 1.00 H new ATOM 0 HE3 LYS X 25 72.237 9.321 9.358 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 70.961 7.994 10.930 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 70.640 7.483 9.343 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 71.660 6.563 10.341 1.00 1.00 H new ATOM 423 N VAL X 26 76.098 4.622 5.440 1.00 1.00 N ATOM 424 CA VAL X 26 76.599 3.972 4.195 1.00 1.00 C ATOM 425 C VAL X 26 75.556 2.984 3.680 1.00 1.00 C ATOM 426 O VAL X 26 74.701 2.527 4.414 1.00 1.00 O ATOM 427 CB VAL X 26 77.903 3.231 4.500 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.281 2.345 3.312 1.00 1.00 C ATOM 429 CG2 VAL X 26 79.015 4.247 4.747 1.00 1.00 C ATOM 0 H VAL X 26 75.661 3.991 6.112 1.00 1.00 H new ATOM 0 HA VAL X 26 76.782 4.731 3.435 1.00 1.00 H new ATOM 0 HB VAL X 26 77.768 2.610 5.386 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.210 1.819 3.532 1.00 1.00 H new ATOM 0 HG12 VAL X 26 77.487 1.620 3.131 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.416 2.964 2.425 1.00 1.00 H new ATOM 0 HG21 VAL X 26 79.945 3.722 4.965 1.00 1.00 H new ATOM 0 HG22 VAL X 26 79.146 4.866 3.859 1.00 1.00 H new ATOM 0 HG23 VAL X 26 78.748 4.879 5.594 1.00 1.00 H new ATOM 439 N LYS X 27 75.624 2.644 2.421 1.00 1.00 N ATOM 440 CA LYS X 27 74.640 1.682 1.861 1.00 1.00 C ATOM 441 C LYS X 27 75.066 0.250 2.201 1.00 1.00 C ATOM 442 O LYS X 27 76.231 -0.071 2.222 1.00 1.00 O ATOM 443 CB LYS X 27 74.570 1.845 0.339 1.00 1.00 C ATOM 444 CG LYS X 27 74.016 3.231 0.000 1.00 1.00 C ATOM 445 CD LYS X 27 73.976 3.407 -1.520 1.00 1.00 C ATOM 446 CE LYS X 27 73.458 4.806 -1.857 1.00 1.00 C ATOM 447 NZ LYS X 27 73.445 4.988 -3.335 1.00 1.00 N ATOM 0 H LYS X 27 76.318 2.992 1.759 1.00 1.00 H new ATOM 0 HA LYS X 27 73.659 1.880 2.293 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.561 1.721 -0.097 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.934 1.072 -0.092 1.00 1.00 H new ATOM 0 HG2 LYS X 27 73.015 3.346 0.417 1.00 1.00 H new ATOM 0 HG3 LYS X 27 74.639 4.004 0.450 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.972 3.265 -1.940 1.00 1.00 H new ATOM 0 HD3 LYS X 27 73.331 2.651 -1.968 1.00 1.00 H new ATOM 0 HE2 LYS X 27 72.454 4.940 -1.455 1.00 1.00 H new ATOM 0 HE3 LYS X 27 74.091 5.562 -1.392 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 73.093 5.939 -3.565 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 74.410 4.877 -3.707 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 72.823 4.275 -3.767 1.00 1.00 H new ATOM 461 N TYR X 28 74.133 -0.614 2.470 1.00 1.00 N ATOM 462 CA TYR X 28 74.497 -2.019 2.810 1.00 1.00 C ATOM 463 C TYR X 28 75.267 -2.641 1.641 1.00 1.00 C ATOM 464 O TYR X 28 76.215 -3.383 1.827 1.00 1.00 O ATOM 465 CB TYR X 28 73.224 -2.827 3.075 1.00 1.00 C ATOM 466 CG TYR X 28 73.588 -4.265 3.356 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.176 -4.611 4.579 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.337 -5.253 2.396 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.514 -5.944 4.841 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.675 -6.587 2.659 1.00 1.00 C ATOM 471 CZ TYR X 28 74.263 -6.932 3.880 1.00 1.00 C ATOM 472 OH TYR X 28 74.596 -8.246 4.139 1.00 1.00 O ATOM 0 H TYR X 28 73.133 -0.411 2.470 1.00 1.00 H new ATOM 0 HA TYR X 28 75.122 -2.028 3.703 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.683 -2.406 3.922 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.559 -2.771 2.213 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.369 -3.849 5.320 1.00 1.00 H new ATOM 0 HD2 TYR X 28 72.883 -4.987 1.453 1.00 1.00 H new ATOM 0 HE1 TYR X 28 74.968 -6.211 5.784 1.00 1.00 H new ATOM 0 HE2 TYR X 28 73.481 -7.349 1.919 1.00 1.00 H new ATOM 0 HH TYR X 28 74.534 -8.415 5.102 1.00 1.00 H new ATOM 482 N ALA X 29 74.863 -2.348 0.436 1.00 1.00 N ATOM 483 CA ALA X 29 75.564 -2.921 -0.745 1.00 1.00 C ATOM 484 C ALA X 29 77.023 -2.461 -0.747 1.00 1.00 C ATOM 485 O ALA X 29 77.906 -3.169 -1.183 1.00 1.00 O ATOM 486 CB ALA X 29 74.876 -2.449 -2.028 1.00 1.00 C ATOM 0 H ALA X 29 74.077 -1.736 0.219 1.00 1.00 H new ATOM 0 HA ALA X 29 75.528 -4.009 -0.695 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.390 -2.869 -2.892 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.838 -2.780 -2.027 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.910 -1.361 -2.080 1.00 1.00 H new ATOM 492 N ASP X 30 77.281 -1.274 -0.275 1.00 1.00 N ATOM 493 CA ASP X 30 78.680 -0.764 -0.261 1.00 1.00 C ATOM 494 C ASP X 30 79.522 -1.634 0.672 1.00 1.00 C ATOM 495 O ASP X 30 80.669 -1.924 0.396 1.00 1.00 O ATOM 496 CB ASP X 30 78.693 0.688 0.233 1.00 1.00 C ATOM 497 CG ASP X 30 78.366 1.636 -0.930 1.00 1.00 C ATOM 498 OD1 ASP X 30 78.260 1.155 -2.046 1.00 1.00 O ATOM 499 OD2 ASP X 30 78.220 2.822 -0.682 1.00 1.00 O ATOM 0 H ASP X 30 76.582 -0.634 0.102 1.00 1.00 H new ATOM 0 HA ASP X 30 79.095 -0.802 -1.268 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.965 0.816 1.034 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.671 0.932 0.649 1.00 1.00 H new ATOM 504 N LEU X 31 78.966 -2.052 1.777 1.00 1.00 N ATOM 505 CA LEU X 31 79.745 -2.904 2.717 1.00 1.00 C ATOM 506 C LEU X 31 80.116 -4.215 2.034 1.00 1.00 C ATOM 507 O LEU X 31 81.246 -4.652 2.092 1.00 1.00 O ATOM 508 CB LEU X 31 78.888 -3.203 3.955 1.00 1.00 C ATOM 509 CG LEU X 31 79.055 -2.081 4.982 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.476 -2.110 5.554 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.804 -0.727 4.306 1.00 1.00 C ATOM 0 H LEU X 31 78.011 -1.841 2.067 1.00 1.00 H new ATOM 0 HA LEU X 31 80.654 -2.380 3.013 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.840 -3.295 3.670 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.184 -4.156 4.392 1.00 1.00 H new ATOM 0 HG LEU X 31 78.338 -2.224 5.791 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.590 -1.309 6.285 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.654 -3.071 6.037 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.196 -1.971 4.747 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.923 0.072 5.037 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.519 -0.587 3.496 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.791 -0.703 3.904 1.00 1.00 H new ATOM 523 N LEU X 32 79.183 -4.836 1.373 1.00 1.00 N ATOM 524 CA LEU X 32 79.496 -6.114 0.673 1.00 1.00 C ATOM 525 C LEU X 32 80.528 -5.857 -0.425 1.00 1.00 C ATOM 526 O LEU X 32 81.459 -6.616 -0.608 1.00 1.00 O ATOM 527 CB LEU X 32 78.217 -6.680 0.051 1.00 1.00 C ATOM 528 CG LEU X 32 77.267 -7.135 1.162 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.925 -7.541 0.553 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.872 -8.330 1.905 1.00 1.00 C ATOM 0 H LEU X 32 78.218 -4.516 1.286 1.00 1.00 H new ATOM 0 HA LEU X 32 79.901 -6.830 1.388 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.735 -5.923 -0.567 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.458 -7.519 -0.602 1.00 1.00 H new ATOM 0 HG LEU X 32 77.116 -6.314 1.863 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.249 -7.865 1.345 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.490 -6.689 0.030 1.00 1.00 H new ATOM 0 HD13 LEU X 32 76.078 -8.359 -0.151 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.192 -8.650 2.695 1.00 1.00 H new ATOM 0 HD22 LEU X 32 78.029 -9.152 1.206 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.827 -8.040 2.344 1.00 1.00 H new ATOM 542 N LYS X 33 80.372 -4.790 -1.156 1.00 1.00 N ATOM 543 CA LYS X 33 81.346 -4.476 -2.237 1.00 1.00 C ATOM 544 C LYS X 33 82.709 -4.167 -1.617 1.00 1.00 C ATOM 545 O LYS X 33 83.738 -4.482 -2.173 1.00 1.00 O ATOM 546 CB LYS X 33 80.858 -3.268 -3.039 1.00 1.00 C ATOM 547 CG LYS X 33 79.612 -3.656 -3.838 1.00 1.00 C ATOM 548 CD LYS X 33 79.111 -2.442 -4.624 1.00 1.00 C ATOM 549 CE LYS X 33 77.860 -2.827 -5.416 1.00 1.00 C ATOM 550 NZ LYS X 33 77.359 -1.637 -6.162 1.00 1.00 N ATOM 0 H LYS X 33 79.610 -4.120 -1.051 1.00 1.00 H new ATOM 0 HA LYS X 33 81.436 -5.333 -2.904 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.629 -2.440 -2.367 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.643 -2.924 -3.713 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.845 -4.474 -4.520 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.833 -4.014 -3.165 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.885 -1.622 -3.942 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.888 -2.088 -5.301 1.00 1.00 H new ATOM 0 HE2 LYS X 33 78.091 -3.635 -6.111 1.00 1.00 H new ATOM 0 HE3 LYS X 33 77.089 -3.198 -4.741 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.509 -1.898 -6.701 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 77.124 -0.879 -5.489 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 78.095 -1.303 -6.817 1.00 1.00 H new ATOM 564 N PHE X 34 82.724 -3.530 -0.479 1.00 1.00 N ATOM 565 CA PHE X 34 84.023 -3.186 0.163 1.00 1.00 C ATOM 566 C PHE X 34 84.808 -4.463 0.460 1.00 1.00 C ATOM 567 O PHE X 34 85.972 -4.578 0.128 1.00 1.00 O ATOM 568 CB PHE X 34 83.759 -2.439 1.473 1.00 1.00 C ATOM 569 CG PHE X 34 85.064 -2.239 2.214 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.095 -1.499 1.624 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.240 -2.795 3.488 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.302 -1.314 2.308 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.448 -2.609 4.170 1.00 1.00 C ATOM 574 CZ PHE X 34 87.479 -1.869 3.581 1.00 1.00 C ATOM 0 H PHE X 34 81.894 -3.233 0.034 1.00 1.00 H new ATOM 0 HA PHE X 34 84.602 -2.555 -0.512 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.295 -1.475 1.267 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.061 -3.003 2.091 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.959 -1.071 0.642 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.445 -3.366 3.943 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.098 -0.743 1.853 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.584 -3.037 5.152 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.411 -1.726 4.108 1.00 1.00 H new ATOM 584 N PHE X 35 84.181 -5.425 1.079 1.00 1.00 N ATOM 585 CA PHE X 35 84.892 -6.694 1.392 1.00 1.00 C ATOM 586 C PHE X 35 85.282 -7.402 0.095 1.00 1.00 C ATOM 587 O PHE X 35 86.384 -7.891 -0.051 1.00 1.00 O ATOM 588 CB PHE X 35 83.977 -7.603 2.214 1.00 1.00 C ATOM 589 CG PHE X 35 84.022 -7.186 3.665 1.00 1.00 C ATOM 590 CD1 PHE X 35 83.536 -5.930 4.048 1.00 1.00 C ATOM 591 CD2 PHE X 35 84.549 -8.055 4.628 1.00 1.00 C ATOM 592 CE1 PHE X 35 83.577 -5.543 5.393 1.00 1.00 C ATOM 593 CE2 PHE X 35 84.589 -7.669 5.973 1.00 1.00 C ATOM 594 CZ PHE X 35 84.104 -6.414 6.356 1.00 1.00 C ATOM 0 H PHE X 35 83.208 -5.386 1.381 1.00 1.00 H new ATOM 0 HA PHE X 35 85.792 -6.469 1.964 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.955 -7.543 1.839 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.293 -8.641 2.113 1.00 1.00 H new ATOM 0 HD1 PHE X 35 83.129 -5.259 3.306 1.00 1.00 H new ATOM 0 HD2 PHE X 35 84.925 -9.024 4.333 1.00 1.00 H new ATOM 0 HE1 PHE X 35 83.203 -4.574 5.688 1.00 1.00 H new ATOM 0 HE2 PHE X 35 84.995 -8.340 6.715 1.00 1.00 H new ATOM 0 HZ PHE X 35 84.136 -6.116 7.394 1.00 1.00 H new ATOM 604 N ASP X 36 84.382 -7.467 -0.847 1.00 1.00 N ATOM 605 CA ASP X 36 84.702 -8.150 -2.130 1.00 1.00 C ATOM 606 C ASP X 36 85.839 -7.410 -2.830 1.00 1.00 C ATOM 607 O ASP X 36 86.762 -8.013 -3.333 1.00 1.00 O ATOM 608 CB ASP X 36 83.458 -8.152 -3.031 1.00 1.00 C ATOM 609 CG ASP X 36 82.556 -9.346 -2.679 1.00 1.00 C ATOM 610 OD1 ASP X 36 82.956 -10.132 -1.836 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.486 -9.450 -3.254 1.00 1.00 O ATOM 0 H ASP X 36 83.441 -7.078 -0.783 1.00 1.00 H new ATOM 0 HA ASP X 36 85.007 -9.177 -1.930 1.00 1.00 H new ATOM 0 HB2 ASP X 36 82.907 -7.220 -2.906 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.757 -8.208 -4.078 1.00 1.00 H new ATOM 616 N PHE X 37 85.780 -6.110 -2.864 1.00 1.00 N ATOM 617 CA PHE X 37 86.859 -5.327 -3.526 1.00 1.00 C ATOM 618 C PHE X 37 88.176 -5.530 -2.780 1.00 1.00 C ATOM 619 O PHE X 37 89.210 -5.738 -3.376 1.00 1.00 O ATOM 620 CB PHE X 37 86.494 -3.842 -3.521 1.00 1.00 C ATOM 621 CG PHE X 37 87.589 -3.049 -4.195 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.754 -3.124 -5.584 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.439 -2.238 -3.433 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.768 -2.389 -6.209 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.453 -1.504 -4.058 1.00 1.00 C ATOM 626 CZ PHE X 37 89.618 -1.579 -5.447 1.00 1.00 C ATOM 0 H PHE X 37 85.027 -5.553 -2.460 1.00 1.00 H new ATOM 0 HA PHE X 37 86.970 -5.670 -4.555 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.548 -3.688 -4.040 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.357 -3.494 -2.497 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.099 -3.749 -6.173 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.312 -2.179 -2.362 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.895 -2.447 -7.280 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.109 -0.879 -3.469 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.400 -1.012 -5.930 1.00 1.00 H new ATOM 636 N VAL X 38 88.148 -5.456 -1.479 1.00 1.00 N ATOM 637 CA VAL X 38 89.401 -5.626 -0.694 1.00 1.00 C ATOM 638 C VAL X 38 89.997 -7.009 -0.956 1.00 1.00 C ATOM 639 O VAL X 38 91.190 -7.155 -1.132 1.00 1.00 O ATOM 640 CB VAL X 38 89.093 -5.481 0.799 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.303 -5.936 1.618 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.788 -4.013 1.118 1.00 1.00 C ATOM 0 H VAL X 38 87.309 -5.285 -0.925 1.00 1.00 H new ATOM 0 HA VAL X 38 90.118 -4.863 -0.997 1.00 1.00 H new ATOM 0 HB VAL X 38 88.230 -6.097 1.051 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.083 -5.832 2.681 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.523 -6.980 1.393 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.166 -5.320 1.365 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.569 -3.910 2.181 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.652 -3.398 0.864 1.00 1.00 H new ATOM 0 HG23 VAL X 38 87.926 -3.686 0.536 1.00 1.00 H new ATOM 652 N LYS X 39 89.183 -8.029 -0.978 1.00 1.00 N ATOM 653 CA LYS X 39 89.702 -9.397 -1.222 1.00 1.00 C ATOM 654 C LYS X 39 90.010 -9.560 -2.692 1.00 1.00 C ATOM 655 O LYS X 39 90.849 -10.322 -3.046 1.00 1.00 O ATOM 656 CB LYS X 39 88.651 -10.423 -0.795 1.00 1.00 C ATOM 657 CG LYS X 39 88.473 -10.374 0.725 1.00 1.00 C ATOM 658 CD LYS X 39 87.418 -11.398 1.149 1.00 1.00 C ATOM 659 CE LYS X 39 87.240 -11.351 2.669 1.00 1.00 C ATOM 660 NZ LYS X 39 86.242 -12.377 3.083 1.00 1.00 N ATOM 0 H LYS X 39 88.175 -7.969 -0.836 1.00 1.00 H new ATOM 0 HA LYS X 39 90.612 -9.554 -0.644 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.702 -10.214 -1.289 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.958 -11.423 -1.103 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.421 -10.586 1.220 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.169 -9.374 1.034 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.470 -11.185 0.655 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.721 -12.398 0.839 1.00 1.00 H new ATOM 0 HE2 LYS X 39 88.194 -11.535 3.164 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.908 -10.360 2.977 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 86.120 -12.346 4.115 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 85.331 -12.182 2.621 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 86.577 -13.321 2.802 1.00 1.00 H new ATOM 674 N ASP X 40 89.318 -8.871 -3.546 1.00 1.00 N ATOM 675 CA ASP X 40 89.579 -8.996 -5.006 1.00 1.00 C ATOM 676 C ASP X 40 90.828 -8.190 -5.382 1.00 1.00 C ATOM 677 O ASP X 40 91.426 -8.381 -6.408 1.00 1.00 O ATOM 678 CB ASP X 40 88.374 -8.455 -5.784 1.00 1.00 C ATOM 679 CG ASP X 40 87.165 -9.360 -5.544 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.341 -10.394 -4.921 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.083 -9.005 -5.984 1.00 1.00 O ATOM 0 H ASP X 40 88.574 -8.219 -3.296 1.00 1.00 H new ATOM 0 HA ASP X 40 89.739 -10.045 -5.255 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.149 -7.437 -5.465 1.00 1.00 H new ATOM 0 HB3 ASP X 40 88.604 -8.412 -6.849 1.00 1.00 H new ATOM 686 N THR X 41 91.187 -7.234 -4.582 1.00 1.00 N ATOM 687 CA THR X 41 92.348 -6.371 -4.940 1.00 1.00 C ATOM 688 C THR X 41 93.638 -7.172 -5.025 1.00 1.00 C ATOM 689 O THR X 41 94.375 -7.084 -5.987 1.00 1.00 O ATOM 690 CB THR X 41 92.516 -5.280 -3.872 1.00 1.00 C ATOM 691 OG1 THR X 41 91.262 -4.679 -3.593 1.00 1.00 O ATOM 692 CG2 THR X 41 93.482 -4.207 -4.377 1.00 1.00 C ATOM 0 H THR X 41 90.732 -7.009 -3.697 1.00 1.00 H new ATOM 0 HA THR X 41 92.150 -5.932 -5.918 1.00 1.00 H new ATOM 0 HB THR X 41 92.913 -5.735 -2.964 1.00 1.00 H new ATOM 0 HG1 THR X 41 90.721 -5.288 -3.049 1.00 1.00 H new ATOM 0 HG21 THR X 41 93.598 -3.435 -3.616 1.00 1.00 H new ATOM 0 HG22 THR X 41 94.451 -4.659 -4.586 1.00 1.00 H new ATOM 0 HG23 THR X 41 93.086 -3.761 -5.289 1.00 1.00 H new ATOM 700 N CYS X 42 93.932 -7.929 -4.015 1.00 1.00 N ATOM 701 CA CYS X 42 95.189 -8.713 -4.013 1.00 1.00 C ATOM 702 C CYS X 42 95.176 -9.773 -5.117 1.00 1.00 C ATOM 703 O CYS X 42 95.984 -9.739 -6.027 1.00 1.00 O ATOM 704 CB CYS X 42 95.380 -9.392 -2.650 1.00 1.00 C ATOM 705 SG CYS X 42 96.128 -11.035 -2.898 1.00 1.00 S ATOM 0 H CYS X 42 93.351 -8.040 -3.184 1.00 1.00 H new ATOM 0 HA CYS X 42 96.017 -8.029 -4.200 1.00 1.00 H new ATOM 0 HB2 CYS X 42 96.019 -8.781 -2.012 1.00 1.00 H new ATOM 0 HB3 CYS X 42 94.421 -9.489 -2.141 1.00 1.00 H new ATOM 0 HG CYS X 42 95.418 -11.933 -2.281 1.00 1.00 H new ATOM 711 N PRO X 43 94.280 -10.723 -5.024 1.00 1.00 N ATOM 712 CA PRO X 43 94.191 -11.837 -5.995 1.00 1.00 C ATOM 713 C PRO X 43 93.903 -11.359 -7.422 1.00 1.00 C ATOM 714 O PRO X 43 94.627 -11.674 -8.349 1.00 1.00 O ATOM 715 CB PRO X 43 93.029 -12.679 -5.473 1.00 1.00 C ATOM 716 CG PRO X 43 92.248 -11.764 -4.603 1.00 1.00 C ATOM 717 CD PRO X 43 93.246 -10.831 -3.993 1.00 1.00 C ATOM 0 HA PRO X 43 95.133 -12.381 -6.065 1.00 1.00 H new ATOM 0 HB2 PRO X 43 92.419 -13.060 -6.292 1.00 1.00 H new ATOM 0 HB3 PRO X 43 93.388 -13.543 -4.914 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.503 -11.217 -5.180 1.00 1.00 H new ATOM 0 HG3 PRO X 43 91.711 -12.319 -3.834 1.00 1.00 H new ATOM 0 HD2 PRO X 43 92.803 -9.862 -3.764 1.00 1.00 H new ATOM 0 HD3 PRO X 43 93.648 -11.226 -3.060 1.00 1.00 H new ATOM 725 N TRP X 44 92.855 -10.594 -7.611 1.00 1.00 N ATOM 726 CA TRP X 44 92.532 -10.099 -8.975 1.00 1.00 C ATOM 727 C TRP X 44 91.364 -9.108 -8.891 1.00 1.00 C ATOM 728 O TRP X 44 90.413 -9.304 -8.169 1.00 1.00 O ATOM 729 CB TRP X 44 92.147 -11.282 -9.871 1.00 1.00 C ATOM 730 CG TRP X 44 90.657 -11.362 -9.982 1.00 1.00 C ATOM 731 CD1 TRP X 44 89.955 -11.241 -11.132 1.00 1.00 C ATOM 732 CD2 TRP X 44 89.677 -11.570 -8.925 1.00 1.00 C ATOM 733 NE1 TRP X 44 88.606 -11.361 -10.848 1.00 1.00 N ATOM 734 CE2 TRP X 44 88.385 -11.566 -9.500 1.00 1.00 C ATOM 735 CE3 TRP X 44 89.784 -11.761 -7.535 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.238 -11.744 -8.724 1.00 1.00 C ATOM 737 CZ3 TRP X 44 88.633 -11.940 -6.751 1.00 1.00 C ATOM 738 CH2 TRP X 44 87.363 -11.932 -7.345 1.00 1.00 C ATOM 0 H TRP X 44 92.213 -10.294 -6.877 1.00 1.00 H new ATOM 0 HA TRP X 44 93.402 -9.597 -9.399 1.00 1.00 H new ATOM 0 HB2 TRP X 44 92.590 -11.162 -10.860 1.00 1.00 H new ATOM 0 HB3 TRP X 44 92.541 -12.209 -9.456 1.00 1.00 H new ATOM 0 HD1 TRP X 44 90.378 -11.077 -12.112 1.00 1.00 H new ATOM 0 HE1 TRP X 44 87.866 -11.305 -11.548 1.00 1.00 H new ATOM 0 HE3 TRP X 44 90.758 -11.770 -7.068 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 86.262 -11.736 -9.186 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 88.726 -12.085 -5.685 1.00 1.00 H new ATOM 0 HH2 TRP X 44 86.481 -12.071 -6.737 1.00 1.00 H new ATOM 749 N PHE X 45 91.422 -8.047 -9.636 1.00 1.00 N ATOM 750 CA PHE X 45 90.308 -7.057 -9.611 1.00 1.00 C ATOM 751 C PHE X 45 90.260 -6.287 -10.938 1.00 1.00 C ATOM 752 O PHE X 45 90.300 -5.073 -10.955 1.00 1.00 O ATOM 753 CB PHE X 45 90.528 -6.077 -8.465 1.00 1.00 C ATOM 754 CG PHE X 45 91.883 -5.430 -8.608 1.00 1.00 C ATOM 755 CD1 PHE X 45 93.044 -6.163 -8.332 1.00 1.00 C ATOM 756 CD2 PHE X 45 91.980 -4.096 -9.019 1.00 1.00 C ATOM 757 CE1 PHE X 45 94.301 -5.561 -8.469 1.00 1.00 C ATOM 758 CE2 PHE X 45 93.237 -3.494 -9.155 1.00 1.00 C ATOM 759 CZ PHE X 45 94.398 -4.227 -8.880 1.00 1.00 C ATOM 0 H PHE X 45 92.192 -7.818 -10.264 1.00 1.00 H new ATOM 0 HA PHE X 45 89.364 -7.584 -9.469 1.00 1.00 H new ATOM 0 HB2 PHE X 45 89.748 -5.316 -8.469 1.00 1.00 H new ATOM 0 HB3 PHE X 45 90.461 -6.597 -7.510 1.00 1.00 H new ATOM 0 HD1 PHE X 45 92.970 -7.192 -8.014 1.00 1.00 H new ATOM 0 HD2 PHE X 45 91.085 -3.530 -9.231 1.00 1.00 H new ATOM 0 HE1 PHE X 45 95.196 -6.127 -8.257 1.00 1.00 H new ATOM 0 HE2 PHE X 45 93.311 -2.464 -9.472 1.00 1.00 H new ATOM 0 HZ PHE X 45 95.368 -3.763 -8.985 1.00 1.00 H new ATOM 769 N PRO X 46 90.175 -6.990 -12.039 1.00 1.00 N ATOM 770 CA PRO X 46 90.115 -6.366 -13.387 1.00 1.00 C ATOM 771 C PRO X 46 88.717 -5.832 -13.726 1.00 1.00 C ATOM 772 O PRO X 46 88.558 -4.966 -14.562 1.00 1.00 O ATOM 773 CB PRO X 46 90.493 -7.504 -14.337 1.00 1.00 C ATOM 774 CG PRO X 46 90.177 -8.773 -13.611 1.00 1.00 C ATOM 775 CD PRO X 46 90.120 -8.454 -12.115 1.00 1.00 C ATOM 0 HA PRO X 46 90.776 -5.502 -13.456 1.00 1.00 H new ATOM 0 HB2 PRO X 46 89.930 -7.437 -15.268 1.00 1.00 H new ATOM 0 HB3 PRO X 46 91.550 -7.458 -14.599 1.00 1.00 H new ATOM 0 HG2 PRO X 46 89.225 -9.181 -13.951 1.00 1.00 H new ATOM 0 HG3 PRO X 46 90.937 -9.528 -13.812 1.00 1.00 H new ATOM 0 HD2 PRO X 46 89.206 -8.839 -11.663 1.00 1.00 H new ATOM 0 HD3 PRO X 46 90.955 -8.909 -11.582 1.00 1.00 H new ATOM 783 N GLN X 47 87.703 -6.354 -13.090 1.00 1.00 N ATOM 784 CA GLN X 47 86.317 -5.887 -13.383 1.00 1.00 C ATOM 785 C GLN X 47 86.085 -4.527 -12.729 1.00 1.00 C ATOM 786 O GLN X 47 86.741 -4.176 -11.769 1.00 1.00 O ATOM 787 CB GLN X 47 85.313 -6.900 -12.829 1.00 1.00 C ATOM 788 CG GLN X 47 85.405 -8.202 -13.627 1.00 1.00 C ATOM 789 CD GLN X 47 84.884 -7.970 -15.047 1.00 1.00 C ATOM 790 OE1 GLN X 47 83.879 -7.315 -15.237 1.00 1.00 O ATOM 791 NE2 GLN X 47 85.529 -8.483 -16.059 1.00 1.00 N ATOM 0 H GLN X 47 87.774 -7.083 -12.380 1.00 1.00 H new ATOM 0 HA GLN X 47 86.185 -5.795 -14.461 1.00 1.00 H new ATOM 0 HB2 GLN X 47 85.518 -7.092 -11.776 1.00 1.00 H new ATOM 0 HB3 GLN X 47 84.303 -6.496 -12.889 1.00 1.00 H new ATOM 0 HG2 GLN X 47 86.438 -8.548 -13.660 1.00 1.00 H new ATOM 0 HG3 GLN X 47 84.822 -8.982 -13.138 1.00 1.00 H new ATOM 0 HE21 GLN X 47 86.373 -9.033 -15.900 1.00 1.00 H new ATOM 0 HE22 GLN X 47 85.189 -8.334 -17.009 1.00 1.00 H new ATOM 800 N GLU X 48 85.156 -3.759 -13.243 1.00 1.00 N ATOM 801 CA GLU X 48 84.881 -2.416 -12.652 1.00 1.00 C ATOM 802 C GLU X 48 83.373 -2.241 -12.462 1.00 1.00 C ATOM 803 O GLU X 48 82.574 -2.815 -13.176 1.00 1.00 O ATOM 804 CB GLU X 48 85.408 -1.330 -13.588 1.00 1.00 C ATOM 805 CG GLU X 48 86.934 -1.415 -13.659 1.00 1.00 C ATOM 806 CD GLU X 48 87.459 -0.359 -14.634 1.00 1.00 C ATOM 807 OE1 GLU X 48 86.661 0.436 -15.101 1.00 1.00 O ATOM 808 OE2 GLU X 48 88.651 -0.363 -14.895 1.00 1.00 O ATOM 0 H GLU X 48 84.577 -4.005 -14.046 1.00 1.00 H new ATOM 0 HA GLU X 48 85.379 -2.335 -11.686 1.00 1.00 H new ATOM 0 HB2 GLU X 48 84.980 -1.453 -14.583 1.00 1.00 H new ATOM 0 HB3 GLU X 48 85.104 -0.347 -13.229 1.00 1.00 H new ATOM 0 HG2 GLU X 48 87.364 -1.258 -12.670 1.00 1.00 H new ATOM 0 HG3 GLU X 48 87.239 -2.410 -13.985 1.00 1.00 H new ATOM 815 N GLY X 49 82.977 -1.452 -11.501 1.00 1.00 N ATOM 816 CA GLY X 49 81.520 -1.242 -11.260 1.00 1.00 C ATOM 817 C GLY X 49 81.292 0.153 -10.670 1.00 1.00 C ATOM 818 O GLY X 49 82.211 0.933 -10.523 1.00 1.00 O ATOM 0 H GLY X 49 83.599 -0.944 -10.872 1.00 1.00 H new ATOM 0 HA2 GLY X 49 80.968 -1.347 -12.194 1.00 1.00 H new ATOM 0 HA3 GLY X 49 81.141 -2.003 -10.578 1.00 1.00 H new ATOM 822 N THR X 50 80.072 0.475 -10.336 1.00 1.00 N ATOM 823 CA THR X 50 79.788 1.818 -9.759 1.00 1.00 C ATOM 824 C THR X 50 80.216 1.840 -8.294 1.00 1.00 C ATOM 825 O THR X 50 80.088 0.856 -7.591 1.00 1.00 O ATOM 826 CB THR X 50 78.290 2.115 -9.856 1.00 1.00 C ATOM 827 OG1 THR X 50 77.832 1.797 -11.162 1.00 1.00 O ATOM 828 CG2 THR X 50 78.043 3.599 -9.576 1.00 1.00 C ATOM 0 H THR X 50 79.260 -0.134 -10.438 1.00 1.00 H new ATOM 0 HA THR X 50 80.342 2.575 -10.314 1.00 1.00 H new ATOM 0 HB THR X 50 77.751 1.514 -9.123 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.872 1.985 -11.227 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.976 3.810 -9.645 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.397 3.844 -8.575 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.580 4.202 -10.308 1.00 1.00 H new ATOM 836 N ILE X 51 80.724 2.951 -7.828 1.00 1.00 N ATOM 837 CA ILE X 51 81.155 3.032 -6.408 1.00 1.00 C ATOM 838 C ILE X 51 80.658 4.354 -5.803 1.00 1.00 C ATOM 839 O ILE X 51 80.789 5.408 -6.390 1.00 1.00 O ATOM 840 CB ILE X 51 82.689 2.963 -6.338 1.00 1.00 C ATOM 841 CG1 ILE X 51 83.107 2.251 -5.046 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.285 4.379 -6.358 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.463 2.928 -3.834 1.00 1.00 C ATOM 0 H ILE X 51 80.858 3.803 -8.372 1.00 1.00 H new ATOM 0 HA ILE X 51 80.735 2.200 -5.844 1.00 1.00 H new ATOM 0 HB ILE X 51 83.060 2.410 -7.201 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.809 1.203 -5.087 1.00 1.00 H new ATOM 0 HG13 ILE X 51 84.192 2.270 -4.947 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.372 4.317 -6.308 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.992 4.884 -7.279 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.914 4.942 -5.502 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.769 2.412 -2.924 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.783 3.969 -3.786 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.378 2.886 -3.928 1.00 1.00 H new ATOM 855 N ASP X 52 80.104 4.308 -4.626 1.00 1.00 N ATOM 856 CA ASP X 52 79.618 5.562 -3.981 1.00 1.00 C ATOM 857 C ASP X 52 80.808 6.485 -3.675 1.00 1.00 C ATOM 858 O ASP X 52 81.825 6.063 -3.165 1.00 1.00 O ATOM 859 CB ASP X 52 78.895 5.213 -2.682 1.00 1.00 C ATOM 860 CG ASP X 52 78.269 6.477 -2.090 1.00 1.00 C ATOM 861 OD1 ASP X 52 78.549 7.548 -2.604 1.00 1.00 O ATOM 862 OD2 ASP X 52 77.519 6.352 -1.137 1.00 1.00 O ATOM 0 H ASP X 52 79.966 3.457 -4.081 1.00 1.00 H new ATOM 0 HA ASP X 52 78.933 6.075 -4.656 1.00 1.00 H new ATOM 0 HB2 ASP X 52 78.123 4.467 -2.872 1.00 1.00 H new ATOM 0 HB3 ASP X 52 79.595 4.774 -1.971 1.00 1.00 H new ATOM 867 N ILE X 53 80.678 7.748 -3.962 1.00 1.00 N ATOM 868 CA ILE X 53 81.786 8.703 -3.684 1.00 1.00 C ATOM 869 C ILE X 53 81.938 8.880 -2.173 1.00 1.00 C ATOM 870 O ILE X 53 83.030 8.924 -1.647 1.00 1.00 O ATOM 871 CB ILE X 53 81.486 10.050 -4.338 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.521 9.897 -5.861 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.543 11.071 -3.908 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.950 11.155 -6.517 1.00 1.00 C ATOM 0 H ILE X 53 79.846 8.164 -4.380 1.00 1.00 H new ATOM 0 HA ILE X 53 82.715 8.309 -4.096 1.00 1.00 H new ATOM 0 HB ILE X 53 80.499 10.392 -4.028 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.545 9.733 -6.197 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.943 9.023 -6.162 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.330 12.033 -4.374 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.523 11.181 -2.824 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.529 10.727 -4.220 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.976 11.044 -7.601 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.920 11.299 -6.192 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.547 12.020 -6.227 1.00 1.00 H new ATOM 886 N LYS X 54 80.845 8.994 -1.471 1.00 1.00 N ATOM 887 CA LYS X 54 80.925 9.179 0.005 1.00 1.00 C ATOM 888 C LYS X 54 81.696 8.008 0.617 1.00 1.00 C ATOM 889 O LYS X 54 82.485 8.181 1.525 1.00 1.00 O ATOM 890 CB LYS X 54 79.509 9.226 0.591 1.00 1.00 C ATOM 891 CG LYS X 54 79.590 9.484 2.092 1.00 1.00 C ATOM 892 CD LYS X 54 78.179 9.568 2.678 1.00 1.00 C ATOM 893 CE LYS X 54 78.260 9.843 4.181 1.00 1.00 C ATOM 894 NZ LYS X 54 76.882 9.945 4.742 1.00 1.00 N ATOM 0 H LYS X 54 79.900 8.967 -1.855 1.00 1.00 H new ATOM 0 HA LYS X 54 81.439 10.113 0.232 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.929 10.012 0.107 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.993 8.285 0.400 1.00 1.00 H new ATOM 0 HG2 LYS X 54 80.149 8.685 2.578 1.00 1.00 H new ATOM 0 HG3 LYS X 54 80.129 10.412 2.283 1.00 1.00 H new ATOM 0 HD2 LYS X 54 77.616 10.360 2.184 1.00 1.00 H new ATOM 0 HD3 LYS X 54 77.644 8.636 2.497 1.00 1.00 H new ATOM 0 HE2 LYS X 54 78.809 9.044 4.679 1.00 1.00 H new ATOM 0 HE3 LYS X 54 78.808 10.767 4.364 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 76.930 9.962 5.781 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 76.433 10.819 4.402 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 76.321 9.125 4.435 1.00 1.00 H new ATOM 908 N PHE X 55 81.472 6.821 0.133 1.00 1.00 N ATOM 909 CA PHE X 55 82.193 5.640 0.682 1.00 1.00 C ATOM 910 C PHE X 55 83.666 5.704 0.271 1.00 1.00 C ATOM 911 O PHE X 55 84.547 5.326 1.018 1.00 1.00 O ATOM 912 CB PHE X 55 81.560 4.355 0.146 1.00 1.00 C ATOM 913 CG PHE X 55 82.082 3.171 0.924 1.00 1.00 C ATOM 914 CD1 PHE X 55 81.593 2.906 2.209 1.00 1.00 C ATOM 915 CD2 PHE X 55 83.054 2.335 0.360 1.00 1.00 C ATOM 916 CE1 PHE X 55 82.074 1.806 2.930 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.535 1.236 1.080 1.00 1.00 C ATOM 918 CZ PHE X 55 83.045 0.971 2.365 1.00 1.00 C ATOM 0 H PHE X 55 80.818 6.616 -0.622 1.00 1.00 H new ATOM 0 HA PHE X 55 82.122 5.646 1.770 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.475 4.409 0.231 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.791 4.238 -0.913 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.844 3.551 2.645 1.00 1.00 H new ATOM 0 HD2 PHE X 55 83.432 2.539 -0.631 1.00 1.00 H new ATOM 0 HE1 PHE X 55 81.696 1.602 3.921 1.00 1.00 H new ATOM 0 HE2 PHE X 55 84.285 0.592 0.645 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.416 0.122 2.920 1.00 1.00 H new ATOM 928 N TRP X 56 83.941 6.169 -0.916 1.00 1.00 N ATOM 929 CA TRP X 56 85.354 6.241 -1.377 1.00 1.00 C ATOM 930 C TRP X 56 86.191 6.990 -0.339 1.00 1.00 C ATOM 931 O TRP X 56 87.331 6.653 -0.087 1.00 1.00 O ATOM 932 CB TRP X 56 85.422 6.978 -2.716 1.00 1.00 C ATOM 933 CG TRP X 56 86.849 7.281 -3.048 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.878 6.413 -2.911 1.00 1.00 C ATOM 935 CD2 TRP X 56 87.420 8.514 -3.571 1.00 1.00 C ATOM 936 NE1 TRP X 56 89.045 7.036 -3.316 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.814 8.332 -3.732 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.869 9.762 -3.918 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.633 9.352 -4.221 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.691 10.789 -4.410 1.00 1.00 C ATOM 941 CH2 TRP X 56 89.070 10.584 -4.560 1.00 1.00 C ATOM 0 H TRP X 56 83.248 6.502 -1.586 1.00 1.00 H new ATOM 0 HA TRP X 56 85.745 5.231 -1.501 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.977 6.368 -3.502 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.846 7.902 -2.664 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.801 5.400 -2.545 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.963 6.592 -3.308 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.808 9.931 -3.805 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.694 9.189 -4.336 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 87.258 11.743 -4.674 1.00 1.00 H new ATOM 0 HH2 TRP X 56 89.696 11.379 -4.938 1.00 1.00 H new ATOM 952 N ARG X 57 85.641 8.008 0.261 1.00 1.00 N ATOM 953 CA ARG X 57 86.417 8.780 1.272 1.00 1.00 C ATOM 954 C ARG X 57 86.883 7.834 2.379 1.00 1.00 C ATOM 955 O ARG X 57 88.022 7.872 2.800 1.00 1.00 O ATOM 956 CB ARG X 57 85.519 9.862 1.878 1.00 1.00 C ATOM 957 CG ARG X 57 85.014 10.790 0.769 1.00 1.00 C ATOM 958 CD ARG X 57 86.193 11.523 0.133 1.00 1.00 C ATOM 959 NE ARG X 57 85.727 12.815 -0.446 1.00 1.00 N ATOM 960 CZ ARG X 57 86.345 13.337 -1.470 1.00 1.00 C ATOM 961 NH1 ARG X 57 87.371 12.726 -1.996 1.00 1.00 N ATOM 962 NH2 ARG X 57 85.936 14.472 -1.968 1.00 1.00 N ATOM 0 H ARG X 57 84.690 8.339 0.096 1.00 1.00 H new ATOM 0 HA ARG X 57 87.281 9.243 0.797 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.676 9.402 2.394 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.073 10.435 2.621 1.00 1.00 H new ATOM 0 HG2 ARG X 57 84.482 10.213 0.013 1.00 1.00 H new ATOM 0 HG3 ARG X 57 84.305 11.509 1.179 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.966 11.706 0.880 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.641 10.905 -0.645 1.00 1.00 H new ATOM 0 HE ARG X 57 84.922 13.293 -0.040 1.00 1.00 H new ATOM 0 HH11 ARG X 57 87.691 11.839 -1.607 1.00 1.00 H new ATOM 0 HH12 ARG X 57 87.853 13.135 -2.796 1.00 1.00 H new ATOM 0 HH21 ARG X 57 85.134 14.950 -1.557 1.00 1.00 H new ATOM 0 HH22 ARG X 57 86.418 14.881 -2.768 1.00 1.00 H new ATOM 976 N ARG X 58 86.018 6.978 2.851 1.00 1.00 N ATOM 977 CA ARG X 58 86.423 6.029 3.927 1.00 1.00 C ATOM 978 C ARG X 58 87.436 5.025 3.369 1.00 1.00 C ATOM 979 O ARG X 58 88.428 4.711 3.997 1.00 1.00 O ATOM 980 CB ARG X 58 85.191 5.275 4.427 1.00 1.00 C ATOM 981 CG ARG X 58 84.247 6.252 5.131 1.00 1.00 C ATOM 982 CD ARG X 58 82.958 5.527 5.524 1.00 1.00 C ATOM 983 NE ARG X 58 83.273 4.462 6.517 1.00 1.00 N ATOM 984 CZ ARG X 58 83.379 4.762 7.783 1.00 1.00 C ATOM 985 NH1 ARG X 58 83.211 5.994 8.179 1.00 1.00 N ATOM 986 NH2 ARG X 58 83.654 3.830 8.655 1.00 1.00 N ATOM 0 H ARG X 58 85.050 6.895 2.539 1.00 1.00 H new ATOM 0 HA ARG X 58 86.874 6.584 4.749 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.680 4.797 3.591 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.490 4.483 5.113 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.729 6.664 6.017 1.00 1.00 H new ATOM 0 HG3 ARG X 58 84.019 7.091 4.473 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.244 6.234 5.947 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.490 5.090 4.642 1.00 1.00 H new ATOM 0 HE ARG X 58 83.406 3.499 6.208 1.00 1.00 H new ATOM 0 HH11 ARG X 58 82.997 6.723 7.499 1.00 1.00 H new ATOM 0 HH12 ARG X 58 83.294 6.227 9.168 1.00 1.00 H new ATOM 0 HH21 ARG X 58 83.786 2.867 8.347 1.00 1.00 H new ATOM 0 HH22 ARG X 58 83.737 4.065 9.644 1.00 1.00 H new ATOM 1000 N VAL X 59 87.195 4.521 2.189 1.00 1.00 N ATOM 1001 CA VAL X 59 88.141 3.541 1.588 1.00 1.00 C ATOM 1002 C VAL X 59 89.500 4.207 1.380 1.00 1.00 C ATOM 1003 O VAL X 59 90.527 3.635 1.656 1.00 1.00 O ATOM 1004 CB VAL X 59 87.598 3.059 0.241 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.702 2.331 -0.527 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.428 2.099 0.477 1.00 1.00 C ATOM 0 H VAL X 59 86.382 4.747 1.615 1.00 1.00 H new ATOM 0 HA VAL X 59 88.251 2.689 2.258 1.00 1.00 H new ATOM 0 HB VAL X 59 87.257 3.917 -0.339 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.313 1.989 -1.486 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.537 3.011 -0.696 1.00 1.00 H new ATOM 0 HG13 VAL X 59 89.044 1.474 0.053 1.00 1.00 H new ATOM 0 HG21 VAL X 59 86.040 1.755 -0.482 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.771 1.243 1.058 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.638 2.615 1.023 1.00 1.00 H new ATOM 1016 N GLY X 60 89.511 5.411 0.885 1.00 1.00 N ATOM 1017 CA GLY X 60 90.807 6.108 0.652 1.00 1.00 C ATOM 1018 C GLY X 60 91.590 6.189 1.963 1.00 1.00 C ATOM 1019 O GLY X 60 92.760 5.865 2.019 1.00 1.00 O ATOM 0 H GLY X 60 88.679 5.944 0.631 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.389 5.573 -0.098 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.627 7.110 0.262 1.00 1.00 H new ATOM 1023 N ASP X 61 90.957 6.620 3.019 1.00 1.00 N ATOM 1024 CA ASP X 61 91.667 6.715 4.325 1.00 1.00 C ATOM 1025 C ASP X 61 92.029 5.312 4.817 1.00 1.00 C ATOM 1026 O ASP X 61 93.079 5.094 5.388 1.00 1.00 O ATOM 1027 CB ASP X 61 90.761 7.399 5.351 1.00 1.00 C ATOM 1028 CG ASP X 61 90.895 8.917 5.218 1.00 1.00 C ATOM 1029 OD1 ASP X 61 91.895 9.447 5.678 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.997 9.524 4.659 1.00 1.00 O ATOM 0 H ASP X 61 89.979 6.910 3.034 1.00 1.00 H new ATOM 0 HA ASP X 61 92.578 7.299 4.199 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.725 7.100 5.194 1.00 1.00 H new ATOM 0 HB3 ASP X 61 91.034 7.086 6.359 1.00 1.00 H new ATOM 1035 N CYS X 62 91.159 4.359 4.609 1.00 1.00 N ATOM 1036 CA CYS X 62 91.450 2.975 5.074 1.00 1.00 C ATOM 1037 C CYS X 62 92.626 2.400 4.279 1.00 1.00 C ATOM 1038 O CYS X 62 93.560 1.866 4.838 1.00 1.00 O ATOM 1039 CB CYS X 62 90.214 2.098 4.858 1.00 1.00 C ATOM 1040 SG CYS X 62 88.837 2.743 5.838 1.00 1.00 S ATOM 0 H CYS X 62 90.262 4.481 4.138 1.00 1.00 H new ATOM 0 HA CYS X 62 91.706 2.995 6.133 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.946 2.082 3.801 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.430 1.070 5.147 1.00 1.00 H new ATOM 0 HG CYS X 62 88.357 3.806 5.264 1.00 1.00 H new ATOM 1046 N PHE X 63 92.586 2.510 2.981 1.00 1.00 N ATOM 1047 CA PHE X 63 93.699 1.969 2.151 1.00 1.00 C ATOM 1048 C PHE X 63 95.011 2.639 2.556 1.00 1.00 C ATOM 1049 O PHE X 63 96.017 1.985 2.745 1.00 1.00 O ATOM 1050 CB PHE X 63 93.416 2.250 0.673 1.00 1.00 C ATOM 1051 CG PHE X 63 92.668 1.085 0.069 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.650 0.453 0.793 1.00 1.00 C ATOM 1053 CD2 PHE X 63 92.994 0.637 -1.217 1.00 1.00 C ATOM 1054 CE1 PHE X 63 90.960 -0.628 0.232 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.304 -0.444 -1.778 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.286 -1.077 -1.054 1.00 1.00 C ATOM 0 H PHE X 63 91.830 2.952 2.458 1.00 1.00 H new ATOM 0 HA PHE X 63 93.779 0.893 2.308 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.830 3.163 0.572 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.352 2.411 0.138 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.397 0.799 1.784 1.00 1.00 H new ATOM 0 HD2 PHE X 63 93.778 1.126 -1.776 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.176 -1.116 0.791 1.00 1.00 H new ATOM 0 HE2 PHE X 63 92.557 -0.790 -2.769 1.00 1.00 H new ATOM 0 HZ PHE X 63 90.753 -1.911 -1.487 1.00 1.00 H new ATOM 1066 N GLN X 64 95.007 3.935 2.698 1.00 1.00 N ATOM 1067 CA GLN X 64 96.255 4.641 3.097 1.00 1.00 C ATOM 1068 C GLN X 64 96.760 4.068 4.423 1.00 1.00 C ATOM 1069 O GLN X 64 97.944 3.880 4.617 1.00 1.00 O ATOM 1070 CB GLN X 64 95.962 6.134 3.265 1.00 1.00 C ATOM 1071 CG GLN X 64 97.254 6.871 3.625 1.00 1.00 C ATOM 1072 CD GLN X 64 96.984 8.375 3.691 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.880 8.818 3.440 1.00 1.00 O ATOM 1074 NE2 GLN X 64 97.952 9.186 4.022 1.00 1.00 N ATOM 0 H GLN X 64 94.194 4.535 2.555 1.00 1.00 H new ATOM 0 HA GLN X 64 97.015 4.504 2.328 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.544 6.539 2.343 1.00 1.00 H new ATOM 0 HB3 GLN X 64 95.216 6.283 4.046 1.00 1.00 H new ATOM 0 HG2 GLN X 64 97.632 6.517 4.584 1.00 1.00 H new ATOM 0 HG3 GLN X 64 98.023 6.661 2.882 1.00 1.00 H new ATOM 0 HE21 GLN X 64 98.878 8.815 4.233 1.00 1.00 H new ATOM 0 HE22 GLN X 64 97.782 10.191 4.070 1.00 1.00 H new ATOM 1083 N ASP X 65 95.872 3.794 5.341 1.00 1.00 N ATOM 1084 CA ASP X 65 96.310 3.238 6.653 1.00 1.00 C ATOM 1085 C ASP X 65 96.965 1.873 6.432 1.00 1.00 C ATOM 1086 O ASP X 65 98.020 1.586 6.964 1.00 1.00 O ATOM 1087 CB ASP X 65 95.092 3.074 7.563 1.00 1.00 C ATOM 1088 CG ASP X 65 94.567 4.453 7.967 1.00 1.00 C ATOM 1089 OD1 ASP X 65 95.368 5.370 8.053 1.00 1.00 O ATOM 1090 OD2 ASP X 65 93.372 4.568 8.182 1.00 1.00 O ATOM 0 H ASP X 65 94.866 3.931 5.239 1.00 1.00 H new ATOM 0 HA ASP X 65 97.026 3.916 7.118 1.00 1.00 H new ATOM 0 HB2 ASP X 65 94.312 2.513 7.047 1.00 1.00 H new ATOM 0 HB3 ASP X 65 95.362 2.502 8.450 1.00 1.00 H new ATOM 1095 N TYR X 66 96.353 1.032 5.644 1.00 1.00 N ATOM 1096 CA TYR X 66 96.941 -0.312 5.383 1.00 1.00 C ATOM 1097 C TYR X 66 98.265 -0.152 4.638 1.00 1.00 C ATOM 1098 O TYR X 66 99.166 -0.955 4.776 1.00 1.00 O ATOM 1099 CB TYR X 66 95.972 -1.144 4.540 1.00 1.00 C ATOM 1100 CG TYR X 66 94.779 -1.536 5.381 1.00 1.00 C ATOM 1101 CD1 TYR X 66 94.947 -2.399 6.471 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.508 -1.038 5.072 1.00 1.00 C ATOM 1103 CE1 TYR X 66 93.843 -2.765 7.249 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.404 -1.405 5.851 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.571 -2.268 6.940 1.00 1.00 C ATOM 1106 OH TYR X 66 91.485 -2.628 7.710 1.00 1.00 O ATOM 0 H TYR X 66 95.470 1.218 5.169 1.00 1.00 H new ATOM 0 HA TYR X 66 97.118 -0.820 6.331 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.646 -0.572 3.672 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.474 -2.036 4.164 1.00 1.00 H new ATOM 0 HD1 TYR X 66 95.928 -2.782 6.711 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.379 -0.371 4.233 1.00 1.00 H new ATOM 0 HE1 TYR X 66 93.972 -3.432 8.089 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.423 -1.022 5.611 1.00 1.00 H new ATOM 0 HH TYR X 66 90.678 -2.195 7.361 1.00 1.00 H new ATOM 1116 N TYR X 67 98.385 0.874 3.837 1.00 1.00 N ATOM 1117 CA TYR X 67 99.650 1.073 3.082 1.00 1.00 C ATOM 1118 C TYR X 67 100.804 1.309 4.056 1.00 1.00 C ATOM 1119 O TYR X 67 101.791 0.617 4.038 1.00 1.00 O ATOM 1120 CB TYR X 67 99.507 2.295 2.171 1.00 1.00 C ATOM 1121 CG TYR X 67 100.856 2.953 1.993 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.880 2.281 1.317 1.00 1.00 C ATOM 1123 CD2 TYR X 67 101.081 4.237 2.507 1.00 1.00 C ATOM 1124 CE1 TYR X 67 103.130 2.890 1.155 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.330 4.845 2.345 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.355 4.173 1.669 1.00 1.00 C ATOM 1127 OH TYR X 67 104.587 4.774 1.509 1.00 1.00 O ATOM 0 H TYR X 67 97.664 1.578 3.676 1.00 1.00 H new ATOM 0 HA TYR X 67 99.855 0.184 2.485 1.00 1.00 H new ATOM 0 HB2 TYR X 67 99.107 1.995 1.203 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.800 3.003 2.603 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.706 1.292 0.920 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.290 4.757 3.028 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.921 2.371 0.634 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.504 5.834 2.742 1.00 1.00 H new ATOM 0 HH TYR X 67 104.574 5.662 1.923 1.00 1.00 H new ATOM 1137 N ASN X 68 100.679 2.267 4.920 1.00 1.00 N ATOM 1138 CA ASN X 68 101.767 2.534 5.900 1.00 1.00 C ATOM 1139 C ASN X 68 101.902 1.350 6.855 1.00 1.00 C ATOM 1140 O ASN X 68 102.989 0.978 7.253 1.00 1.00 O ATOM 1141 CB ASN X 68 101.445 3.803 6.694 1.00 1.00 C ATOM 1142 CG ASN X 68 101.786 5.035 5.853 1.00 1.00 C ATOM 1143 OD1 ASN X 68 102.688 4.998 5.040 1.00 1.00 O ATOM 1144 ND2 ASN X 68 101.100 6.131 6.017 1.00 1.00 N ATOM 0 H ASN X 68 99.868 2.882 4.994 1.00 1.00 H new ATOM 0 HA ASN X 68 102.707 2.673 5.365 1.00 1.00 H new ATOM 0 HB2 ASN X 68 100.389 3.816 6.965 1.00 1.00 H new ATOM 0 HB3 ASN X 68 102.013 3.816 7.624 1.00 1.00 H new ATOM 0 HD21 ASN X 68 101.320 6.958 5.463 1.00 1.00 H new ATOM 0 HD22 ASN X 68 100.343 6.161 6.700 1.00 1.00 H new ATOM 1151 N THR X 69 100.801 0.773 7.252 1.00 1.00 N ATOM 1152 CA THR X 69 100.866 -0.366 8.206 1.00 1.00 C ATOM 1153 C THR X 69 101.623 -1.530 7.576 1.00 1.00 C ATOM 1154 O THR X 69 102.517 -2.090 8.178 1.00 1.00 O ATOM 1155 CB THR X 69 99.443 -0.820 8.552 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.658 0.310 8.905 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.487 -1.797 9.729 1.00 1.00 C ATOM 0 H THR X 69 99.862 1.041 6.957 1.00 1.00 H new ATOM 0 HA THR X 69 101.384 -0.046 9.110 1.00 1.00 H new ATOM 0 HB THR X 69 99.002 -1.315 7.687 1.00 1.00 H new ATOM 0 HG1 THR X 69 98.075 0.551 8.155 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.474 -2.118 9.973 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.088 -2.665 9.459 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.930 -1.304 10.595 1.00 1.00 H new ATOM 1165 N PHE X 70 101.267 -1.903 6.375 1.00 1.00 N ATOM 1166 CA PHE X 70 101.962 -3.043 5.712 1.00 1.00 C ATOM 1167 C PHE X 70 102.840 -2.528 4.575 1.00 1.00 C ATOM 1168 O PHE X 70 104.010 -2.846 4.495 1.00 1.00 O ATOM 1169 CB PHE X 70 100.910 -4.003 5.145 1.00 1.00 C ATOM 1170 CG PHE X 70 100.196 -4.701 6.279 1.00 1.00 C ATOM 1171 CD1 PHE X 70 100.740 -5.864 6.837 1.00 1.00 C ATOM 1172 CD2 PHE X 70 98.991 -4.186 6.770 1.00 1.00 C ATOM 1173 CE1 PHE X 70 100.080 -6.511 7.888 1.00 1.00 C ATOM 1174 CE2 PHE X 70 98.330 -4.833 7.822 1.00 1.00 C ATOM 1175 CZ PHE X 70 98.875 -5.996 8.380 1.00 1.00 C ATOM 0 H PHE X 70 100.526 -1.468 5.826 1.00 1.00 H new ATOM 0 HA PHE X 70 102.588 -3.560 6.439 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.194 -3.454 4.534 1.00 1.00 H new ATOM 0 HB3 PHE X 70 101.386 -4.737 4.495 1.00 1.00 H new ATOM 0 HD1 PHE X 70 101.669 -6.262 6.456 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.571 -3.290 6.338 1.00 1.00 H new ATOM 0 HE1 PHE X 70 100.500 -7.407 8.319 1.00 1.00 H new ATOM 0 HE2 PHE X 70 97.401 -4.435 8.202 1.00 1.00 H new ATOM 0 HZ PHE X 70 98.365 -6.496 9.190 1.00 1.00 H new ATOM 1185 N GLY X 71 102.285 -1.743 3.694 1.00 1.00 N ATOM 1186 CA GLY X 71 103.088 -1.219 2.551 1.00 1.00 C ATOM 1187 C GLY X 71 102.228 -1.227 1.285 1.00 1.00 C ATOM 1188 O GLY X 71 101.033 -1.439 1.333 1.00 1.00 O ATOM 0 H GLY X 71 101.311 -1.441 3.715 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.431 -0.207 2.766 1.00 1.00 H new ATOM 0 HA3 GLY X 71 103.977 -1.832 2.405 1.00 1.00 H new ATOM 1192 N PRO X 72 102.842 -1.000 0.160 1.00 1.00 N ATOM 1193 CA PRO X 72 102.143 -0.977 -1.155 1.00 1.00 C ATOM 1194 C PRO X 72 101.614 -2.359 -1.548 1.00 1.00 C ATOM 1195 O PRO X 72 100.742 -2.487 -2.382 1.00 1.00 O ATOM 1196 CB PRO X 72 103.210 -0.505 -2.155 1.00 1.00 C ATOM 1197 CG PRO X 72 104.390 -0.070 -1.345 1.00 1.00 C ATOM 1198 CD PRO X 72 104.279 -0.753 0.013 1.00 1.00 C ATOM 0 HA PRO X 72 101.270 -0.325 -1.129 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.484 -1.309 -2.838 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.834 0.317 -2.764 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.320 -0.347 -1.841 1.00 1.00 H new ATOM 0 HG3 PRO X 72 104.400 1.014 -1.231 1.00 1.00 H new ATOM 0 HD2 PRO X 72 104.850 -1.681 0.043 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.660 -0.118 0.813 1.00 1.00 H new ATOM 1206 N GLU X 73 102.147 -3.397 -0.964 1.00 1.00 N ATOM 1207 CA GLU X 73 101.683 -4.768 -1.320 1.00 1.00 C ATOM 1208 C GLU X 73 100.177 -4.872 -1.079 1.00 1.00 C ATOM 1209 O GLU X 73 99.428 -5.280 -1.944 1.00 1.00 O ATOM 1210 CB GLU X 73 102.408 -5.792 -0.444 1.00 1.00 C ATOM 1211 CG GLU X 73 103.910 -5.750 -0.739 1.00 1.00 C ATOM 1212 CD GLU X 73 104.168 -6.268 -2.155 1.00 1.00 C ATOM 1213 OE1 GLU X 73 103.304 -6.948 -2.682 1.00 1.00 O ATOM 1214 OE2 GLU X 73 105.229 -5.978 -2.686 1.00 1.00 O ATOM 0 H GLU X 73 102.882 -3.356 -0.258 1.00 1.00 H new ATOM 0 HA GLU X 73 101.900 -4.966 -2.370 1.00 1.00 H new ATOM 0 HB2 GLU X 73 102.228 -5.577 0.609 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.017 -6.791 -0.636 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.282 -4.730 -0.640 1.00 1.00 H new ATOM 0 HG3 GLU X 73 104.451 -6.358 -0.014 1.00 1.00 H new ATOM 1221 N LYS X 74 99.728 -4.509 0.089 1.00 1.00 N ATOM 1222 CA LYS X 74 98.272 -4.586 0.380 1.00 1.00 C ATOM 1223 C LYS X 74 97.509 -3.612 -0.513 1.00 1.00 C ATOM 1224 O LYS X 74 96.500 -3.955 -1.098 1.00 1.00 O ATOM 1225 CB LYS X 74 98.030 -4.226 1.848 1.00 1.00 C ATOM 1226 CG LYS X 74 98.712 -5.253 2.757 1.00 1.00 C ATOM 1227 CD LYS X 74 98.057 -6.625 2.577 1.00 1.00 C ATOM 1228 CE LYS X 74 98.297 -7.472 3.823 1.00 1.00 C ATOM 1229 NZ LYS X 74 97.635 -8.796 3.651 1.00 1.00 N ATOM 0 H LYS X 74 100.307 -4.162 0.854 1.00 1.00 H new ATOM 0 HA LYS X 74 97.920 -5.599 0.185 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.419 -3.229 2.056 1.00 1.00 H new ATOM 0 HB3 LYS X 74 96.960 -4.200 2.053 1.00 1.00 H new ATOM 0 HG2 LYS X 74 99.774 -5.313 2.519 1.00 1.00 H new ATOM 0 HG3 LYS X 74 98.636 -4.938 3.798 1.00 1.00 H new ATOM 0 HD2 LYS X 74 96.987 -6.509 2.404 1.00 1.00 H new ATOM 0 HD3 LYS X 74 98.469 -7.124 1.700 1.00 1.00 H new ATOM 0 HE2 LYS X 74 99.366 -7.605 3.986 1.00 1.00 H new ATOM 0 HE3 LYS X 74 97.901 -6.966 4.703 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 97.796 -9.377 4.498 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 96.613 -8.658 3.515 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 98.033 -9.278 2.820 1.00 1.00 H new ATOM 1243 N VAL X 75 97.982 -2.404 -0.622 1.00 1.00 N ATOM 1244 CA VAL X 75 97.282 -1.406 -1.474 1.00 1.00 C ATOM 1245 C VAL X 75 98.318 -0.473 -2.122 1.00 1.00 C ATOM 1246 O VAL X 75 98.636 0.576 -1.598 1.00 1.00 O ATOM 1247 CB VAL X 75 96.320 -0.588 -0.619 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.310 -1.526 0.042 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.103 0.161 0.456 1.00 1.00 C ATOM 0 H VAL X 75 98.824 -2.064 -0.157 1.00 1.00 H new ATOM 0 HA VAL X 75 96.720 -1.922 -2.253 1.00 1.00 H new ATOM 0 HB VAL X 75 95.793 0.131 -1.247 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.620 -0.945 0.654 1.00 1.00 H new ATOM 0 HG12 VAL X 75 94.751 -2.059 -0.727 1.00 1.00 H new ATOM 0 HG13 VAL X 75 95.837 -2.243 0.671 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.415 0.745 1.067 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.630 -0.554 1.087 1.00 1.00 H new ATOM 0 HG23 VAL X 75 97.824 0.828 -0.017 1.00 1.00 H new ATOM 1259 N PRO X 76 98.847 -0.860 -3.250 1.00 1.00 N ATOM 1260 CA PRO X 76 99.863 -0.061 -3.979 1.00 1.00 C ATOM 1261 C PRO X 76 99.236 1.055 -4.817 1.00 1.00 C ATOM 1262 O PRO X 76 98.079 1.387 -4.658 1.00 1.00 O ATOM 1263 CB PRO X 76 100.552 -1.090 -4.872 1.00 1.00 C ATOM 1264 CG PRO X 76 99.550 -2.176 -5.094 1.00 1.00 C ATOM 1265 CD PRO X 76 98.530 -2.106 -3.960 1.00 1.00 C ATOM 0 HA PRO X 76 100.544 0.451 -3.299 1.00 1.00 H new ATOM 0 HB2 PRO X 76 100.860 -0.643 -5.817 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.452 -1.480 -4.396 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.058 -2.051 -6.059 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.039 -3.150 -5.109 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.510 -2.094 -4.345 1.00 1.00 H new ATOM 0 HD3 PRO X 76 98.612 -2.970 -3.300 1.00 1.00 H new ATOM 1273 N VAL X 77 99.994 1.643 -5.701 1.00 1.00 N ATOM 1274 CA VAL X 77 99.445 2.741 -6.542 1.00 1.00 C ATOM 1275 C VAL X 77 98.394 2.179 -7.500 1.00 1.00 C ATOM 1276 O VAL X 77 97.618 2.911 -8.084 1.00 1.00 O ATOM 1277 CB VAL X 77 100.576 3.386 -7.345 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.566 4.055 -6.390 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.300 2.311 -8.158 1.00 1.00 C ATOM 0 H VAL X 77 100.971 1.409 -5.877 1.00 1.00 H new ATOM 0 HA VAL X 77 98.983 3.491 -5.899 1.00 1.00 H new ATOM 0 HB VAL X 77 100.160 4.135 -8.019 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.371 4.514 -6.964 1.00 1.00 H new ATOM 0 HG12 VAL X 77 101.051 4.821 -5.810 1.00 1.00 H new ATOM 0 HG13 VAL X 77 101.982 3.307 -5.715 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.106 2.769 -8.731 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.715 1.562 -7.483 1.00 1.00 H new ATOM 0 HG23 VAL X 77 100.596 1.835 -8.840 1.00 1.00 H new ATOM 1289 N THR X 78 98.369 0.888 -7.676 1.00 1.00 N ATOM 1290 CA THR X 78 97.375 0.283 -8.606 1.00 1.00 C ATOM 1291 C THR X 78 95.963 0.585 -8.102 1.00 1.00 C ATOM 1292 O THR X 78 95.047 0.775 -8.875 1.00 1.00 O ATOM 1293 CB THR X 78 97.578 -1.234 -8.657 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.216 -1.799 -7.406 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.049 -1.544 -8.952 1.00 1.00 C ATOM 0 H THR X 78 98.994 0.225 -7.216 1.00 1.00 H new ATOM 0 HA THR X 78 97.509 0.702 -9.603 1.00 1.00 H new ATOM 0 HB THR X 78 96.954 -1.659 -9.443 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.343 -2.770 -7.437 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.193 -2.624 -8.988 1.00 1.00 H new ATOM 0 HG22 THR X 78 99.327 -1.108 -9.912 1.00 1.00 H new ATOM 0 HG23 THR X 78 99.675 -1.121 -8.166 1.00 1.00 H new ATOM 1303 N ALA X 79 95.779 0.635 -6.810 1.00 1.00 N ATOM 1304 CA ALA X 79 94.425 0.929 -6.263 1.00 1.00 C ATOM 1305 C ALA X 79 94.038 2.371 -6.597 1.00 1.00 C ATOM 1306 O ALA X 79 92.936 2.645 -7.030 1.00 1.00 O ATOM 1307 CB ALA X 79 94.440 0.745 -4.744 1.00 1.00 C ATOM 0 H ALA X 79 96.507 0.485 -6.111 1.00 1.00 H new ATOM 0 HA ALA X 79 93.699 0.248 -6.707 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.450 0.960 -4.342 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.714 -0.283 -4.505 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.167 1.427 -4.302 1.00 1.00 H new ATOM 1313 N PHE X 80 94.938 3.295 -6.401 1.00 1.00 N ATOM 1314 CA PHE X 80 94.623 4.718 -6.707 1.00 1.00 C ATOM 1315 C PHE X 80 94.365 4.871 -8.207 1.00 1.00 C ATOM 1316 O PHE X 80 93.415 5.504 -8.623 1.00 1.00 O ATOM 1317 CB PHE X 80 95.805 5.599 -6.300 1.00 1.00 C ATOM 1318 CG PHE X 80 95.926 5.615 -4.795 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.585 4.572 -4.135 1.00 1.00 C ATOM 1320 CD2 PHE X 80 95.379 6.673 -4.059 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.698 4.586 -2.740 1.00 1.00 C ATOM 1322 CE2 PHE X 80 95.490 6.688 -2.664 1.00 1.00 C ATOM 1323 CZ PHE X 80 96.150 5.644 -2.004 1.00 1.00 C ATOM 0 H PHE X 80 95.878 3.126 -6.042 1.00 1.00 H new ATOM 0 HA PHE X 80 93.735 5.022 -6.153 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.725 5.220 -6.745 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.663 6.613 -6.675 1.00 1.00 H new ATOM 0 HD1 PHE X 80 97.007 3.756 -4.702 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.871 7.478 -4.568 1.00 1.00 H new ATOM 0 HE1 PHE X 80 97.208 3.781 -2.231 1.00 1.00 H new ATOM 0 HE2 PHE X 80 95.067 7.504 -2.097 1.00 1.00 H new ATOM 0 HZ PHE X 80 96.236 5.655 -0.928 1.00 1.00 H new ATOM 1333 N SER X 81 95.208 4.299 -9.025 1.00 1.00 N ATOM 1334 CA SER X 81 95.012 4.415 -10.497 1.00 1.00 C ATOM 1335 C SER X 81 93.675 3.779 -10.888 1.00 1.00 C ATOM 1336 O SER X 81 92.893 4.350 -11.627 1.00 1.00 O ATOM 1337 CB SER X 81 96.151 3.690 -11.219 1.00 1.00 C ATOM 1338 OG SER X 81 97.386 4.311 -10.888 1.00 1.00 O ATOM 0 H SER X 81 96.023 3.757 -8.737 1.00 1.00 H new ATOM 0 HA SER X 81 95.009 5.467 -10.781 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.170 2.639 -10.930 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.992 3.721 -12.297 1.00 1.00 H new ATOM 0 HG SER X 81 97.684 3.999 -10.008 1.00 1.00 H new ATOM 1344 N TYR X 82 93.398 2.606 -10.386 1.00 1.00 N ATOM 1345 CA TYR X 82 92.108 1.940 -10.719 1.00 1.00 C ATOM 1346 C TYR X 82 90.945 2.797 -10.216 1.00 1.00 C ATOM 1347 O TYR X 82 89.951 2.971 -10.892 1.00 1.00 O ATOM 1348 CB TYR X 82 92.055 0.561 -10.057 1.00 1.00 C ATOM 1349 CG TYR X 82 92.512 -0.493 -11.039 1.00 1.00 C ATOM 1350 CD1 TYR X 82 93.844 -0.521 -11.468 1.00 1.00 C ATOM 1351 CD2 TYR X 82 91.602 -1.441 -11.520 1.00 1.00 C ATOM 1352 CE1 TYR X 82 94.267 -1.498 -12.378 1.00 1.00 C ATOM 1353 CE2 TYR X 82 92.023 -2.419 -12.430 1.00 1.00 C ATOM 1354 CZ TYR X 82 93.356 -2.447 -12.859 1.00 1.00 C ATOM 1355 OH TYR X 82 93.772 -3.410 -13.755 1.00 1.00 O ATOM 0 H TYR X 82 94.009 2.081 -9.760 1.00 1.00 H new ATOM 0 HA TYR X 82 92.030 1.823 -11.800 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.691 0.547 -9.172 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.040 0.346 -9.724 1.00 1.00 H new ATOM 0 HD1 TYR X 82 94.546 0.211 -11.097 1.00 1.00 H new ATOM 0 HD2 TYR X 82 90.574 -1.419 -11.189 1.00 1.00 H new ATOM 0 HE1 TYR X 82 95.295 -1.520 -12.709 1.00 1.00 H new ATOM 0 HE2 TYR X 82 91.320 -3.151 -12.801 1.00 1.00 H new ATOM 0 HH TYR X 82 93.016 -3.990 -13.987 1.00 1.00 H new ATOM 1365 N TRP X 83 91.063 3.337 -9.035 1.00 1.00 N ATOM 1366 CA TRP X 83 89.971 4.187 -8.488 1.00 1.00 C ATOM 1367 C TRP X 83 89.823 5.437 -9.359 1.00 1.00 C ATOM 1368 O TRP X 83 88.734 5.927 -9.579 1.00 1.00 O ATOM 1369 CB TRP X 83 90.303 4.594 -7.053 1.00 1.00 C ATOM 1370 CG TRP X 83 89.037 4.733 -6.271 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.323 5.874 -6.143 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.324 3.716 -5.509 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.217 5.623 -5.350 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.175 4.308 -4.935 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.563 2.352 -5.262 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.291 3.572 -4.144 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.675 1.609 -4.466 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.542 2.217 -3.908 1.00 1.00 C ATOM 0 H TRP X 83 91.872 3.225 -8.424 1.00 1.00 H new ATOM 0 HA TRP X 83 89.036 3.627 -8.491 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.948 3.847 -6.591 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.852 5.536 -7.048 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.575 6.826 -6.587 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.519 6.324 -5.103 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.433 1.874 -5.686 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.419 4.046 -3.717 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.867 0.562 -4.283 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.864 1.640 -3.297 1.00 1.00 H new ATOM 1389 N ASN X 84 90.913 5.964 -9.848 1.00 1.00 N ATOM 1390 CA ASN X 84 90.833 7.190 -10.693 1.00 1.00 C ATOM 1391 C ASN X 84 89.889 6.923 -11.867 1.00 1.00 C ATOM 1392 O ASN X 84 89.029 7.726 -12.181 1.00 1.00 O ATOM 1393 CB ASN X 84 92.229 7.524 -11.229 1.00 1.00 C ATOM 1394 CG ASN X 84 92.143 8.741 -12.150 1.00 1.00 C ATOM 1395 OD1 ASN X 84 91.075 9.279 -12.365 1.00 1.00 O ATOM 1396 ND2 ASN X 84 93.230 9.202 -12.706 1.00 1.00 N ATOM 0 H ASN X 84 91.854 5.599 -9.699 1.00 1.00 H new ATOM 0 HA ASN X 84 90.460 8.026 -10.102 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.909 7.728 -10.402 1.00 1.00 H new ATOM 0 HB3 ASN X 84 92.635 6.671 -11.773 1.00 1.00 H new ATOM 0 HD21 ASN X 84 93.183 10.014 -13.321 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.126 8.750 -12.525 1.00 1.00 H new ATOM 1403 N LEU X 85 90.024 5.790 -12.499 1.00 1.00 N ATOM 1404 CA LEU X 85 89.114 5.464 -13.639 1.00 1.00 C ATOM 1405 C LEU X 85 87.675 5.373 -13.133 1.00 1.00 C ATOM 1406 O LEU X 85 86.763 5.890 -13.741 1.00 1.00 O ATOM 1407 CB LEU X 85 89.522 4.122 -14.248 1.00 1.00 C ATOM 1408 CG LEU X 85 90.872 4.274 -14.953 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.380 2.899 -15.386 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.714 5.172 -16.186 1.00 1.00 C ATOM 0 H LEU X 85 90.720 5.078 -12.279 1.00 1.00 H new ATOM 0 HA LEU X 85 89.186 6.246 -14.395 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.589 3.362 -13.469 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.765 3.786 -14.957 1.00 1.00 H new ATOM 0 HG LEU X 85 91.587 4.727 -14.266 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.341 3.008 -15.888 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.498 2.262 -14.509 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.663 2.445 -16.070 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.677 5.278 -16.685 1.00 1.00 H new ATOM 0 HD22 LEU X 85 89.997 4.724 -16.873 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.356 6.154 -15.877 1.00 1.00 H new ATOM 1422 N ILE X 86 87.468 4.748 -12.010 1.00 1.00 N ATOM 1423 CA ILE X 86 86.089 4.646 -11.455 1.00 1.00 C ATOM 1424 C ILE X 86 85.550 6.046 -11.169 1.00 1.00 C ATOM 1425 O ILE X 86 84.401 6.343 -11.427 1.00 1.00 O ATOM 1426 CB ILE X 86 86.112 3.830 -10.158 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.122 2.333 -10.493 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.881 4.167 -9.314 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.679 1.827 -10.626 1.00 1.00 C ATOM 0 H ILE X 86 88.195 4.302 -11.450 1.00 1.00 H new ATOM 0 HA ILE X 86 85.444 4.149 -12.180 1.00 1.00 H new ATOM 0 HB ILE X 86 87.010 4.076 -9.591 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.666 2.161 -11.422 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.642 1.778 -9.712 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.901 3.585 -8.393 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.886 5.230 -9.072 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.978 3.927 -9.875 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.687 0.763 -10.864 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.150 1.985 -9.686 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.174 2.373 -11.423 1.00 1.00 H new ATOM 1441 N LYS X 87 86.367 6.904 -10.626 1.00 1.00 N ATOM 1442 CA LYS X 87 85.902 8.279 -10.310 1.00 1.00 C ATOM 1443 C LYS X 87 85.345 8.925 -11.579 1.00 1.00 C ATOM 1444 O LYS X 87 84.389 9.667 -11.540 1.00 1.00 O ATOM 1445 CB LYS X 87 87.077 9.112 -9.796 1.00 1.00 C ATOM 1446 CG LYS X 87 86.569 10.469 -9.309 1.00 1.00 C ATOM 1447 CD LYS X 87 87.743 11.294 -8.775 1.00 1.00 C ATOM 1448 CE LYS X 87 87.231 12.643 -8.269 1.00 1.00 C ATOM 1449 NZ LYS X 87 88.363 13.416 -7.682 1.00 1.00 N ATOM 0 H LYS X 87 87.340 6.710 -10.387 1.00 1.00 H new ATOM 0 HA LYS X 87 85.126 8.234 -9.546 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.580 8.588 -8.983 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.812 9.251 -10.589 1.00 1.00 H new ATOM 0 HG2 LYS X 87 86.080 11.000 -10.125 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.823 10.330 -8.527 1.00 1.00 H new ATOM 0 HD2 LYS X 87 88.242 10.757 -7.968 1.00 1.00 H new ATOM 0 HD3 LYS X 87 88.482 11.446 -9.562 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.780 13.203 -9.088 1.00 1.00 H new ATOM 0 HE3 LYS X 87 86.453 12.491 -7.520 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 88.015 14.334 -7.338 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 88.774 12.882 -6.890 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 89.090 13.572 -8.409 1.00 1.00 H new ATOM 1463 N GLU X 88 85.945 8.657 -12.706 1.00 1.00 N ATOM 1464 CA GLU X 88 85.444 9.262 -13.974 1.00 1.00 C ATOM 1465 C GLU X 88 84.106 8.624 -14.356 1.00 1.00 C ATOM 1466 O GLU X 88 83.193 9.291 -14.803 1.00 1.00 O ATOM 1467 CB GLU X 88 86.458 9.016 -15.094 1.00 1.00 C ATOM 1468 CG GLU X 88 87.758 9.756 -14.776 1.00 1.00 C ATOM 1469 CD GLU X 88 88.770 9.514 -15.898 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.415 8.846 -16.855 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.880 10.006 -15.783 1.00 1.00 O ATOM 0 H GLU X 88 86.757 8.048 -12.805 1.00 1.00 H new ATOM 0 HA GLU X 88 85.309 10.334 -13.831 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.651 7.948 -15.197 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.055 9.360 -16.046 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.565 10.823 -14.670 1.00 1.00 H new ATOM 0 HG3 GLU X 88 88.163 9.409 -13.825 1.00 1.00 H new ATOM 1478 N LEU X 89 83.985 7.335 -14.201 1.00 1.00 N ATOM 1479 CA LEU X 89 82.708 6.662 -14.570 1.00 1.00 C ATOM 1480 C LEU X 89 81.561 7.196 -13.720 1.00 1.00 C ATOM 1481 O LEU X 89 80.505 7.525 -14.224 1.00 1.00 O ATOM 1482 CB LEU X 89 82.845 5.151 -14.342 1.00 1.00 C ATOM 1483 CG LEU X 89 83.330 4.470 -15.623 1.00 1.00 C ATOM 1484 CD1 LEU X 89 84.708 5.005 -16.011 1.00 1.00 C ATOM 1485 CD2 LEU X 89 83.422 2.958 -15.391 1.00 1.00 C ATOM 0 H LEU X 89 84.712 6.720 -13.836 1.00 1.00 H new ATOM 0 HA LEU X 89 82.495 6.863 -15.620 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.547 4.960 -13.530 1.00 1.00 H new ATOM 0 HB3 LEU X 89 81.885 4.732 -14.039 1.00 1.00 H new ATOM 0 HG LEU X 89 82.625 4.679 -16.427 1.00 1.00 H new ATOM 0 HD11 LEU X 89 85.045 4.514 -16.924 1.00 1.00 H new ATOM 0 HD12 LEU X 89 84.647 6.080 -16.178 1.00 1.00 H new ATOM 0 HD13 LEU X 89 85.416 4.802 -15.208 1.00 1.00 H new ATOM 0 HD21 LEU X 89 83.767 2.470 -16.303 1.00 1.00 H new ATOM 0 HD22 LEU X 89 84.125 2.756 -14.583 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.439 2.571 -15.122 1.00 1.00 H new ATOM 1497 N ILE X 90 81.758 7.290 -12.438 1.00 1.00 N ATOM 1498 CA ILE X 90 80.679 7.807 -11.555 1.00 1.00 C ATOM 1499 C ILE X 90 80.507 9.309 -11.777 1.00 1.00 C ATOM 1500 O ILE X 90 79.405 9.818 -11.822 1.00 1.00 O ATOM 1501 CB ILE X 90 81.041 7.531 -10.094 1.00 1.00 C ATOM 1502 CG1 ILE X 90 82.316 8.291 -9.737 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.270 6.030 -9.897 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.862 7.786 -8.402 1.00 1.00 C ATOM 0 H ILE X 90 82.622 7.031 -11.961 1.00 1.00 H new ATOM 0 HA ILE X 90 79.741 7.305 -11.793 1.00 1.00 H new ATOM 0 HB ILE X 90 80.226 7.860 -9.449 1.00 1.00 H new ATOM 0 HG12 ILE X 90 83.062 8.156 -10.520 1.00 1.00 H new ATOM 0 HG13 ILE X 90 82.108 9.359 -9.675 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.528 5.835 -8.856 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.361 5.486 -10.154 1.00 1.00 H new ATOM 0 HG23 ILE X 90 82.085 5.699 -10.541 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.772 8.331 -8.151 1.00 1.00 H new ATOM 0 HD12 ILE X 90 82.118 7.944 -7.621 1.00 1.00 H new ATOM 0 HD13 ILE X 90 83.086 6.722 -8.480 1.00 1.00 H new ATOM 1516 N ASP X 91 81.591 10.027 -11.899 1.00 1.00 N ATOM 1517 CA ASP X 91 81.489 11.498 -12.098 1.00 1.00 C ATOM 1518 C ASP X 91 80.724 11.782 -13.392 1.00 1.00 C ATOM 1519 O ASP X 91 79.828 12.600 -13.424 1.00 1.00 O ATOM 1520 CB ASP X 91 82.897 12.099 -12.196 1.00 1.00 C ATOM 1521 CG ASP X 91 83.469 12.313 -10.787 1.00 1.00 C ATOM 1522 OD1 ASP X 91 82.748 12.067 -9.835 1.00 1.00 O ATOM 1523 OD2 ASP X 91 84.616 12.718 -10.689 1.00 1.00 O ATOM 0 H ASP X 91 82.541 9.657 -11.869 1.00 1.00 H new ATOM 0 HA ASP X 91 80.961 11.944 -11.255 1.00 1.00 H new ATOM 0 HB2 ASP X 91 83.547 11.435 -12.766 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.861 13.047 -12.732 1.00 1.00 H new ATOM 1528 N LYS X 92 81.065 11.106 -14.457 1.00 1.00 N ATOM 1529 CA LYS X 92 80.348 11.338 -15.743 1.00 1.00 C ATOM 1530 C LYS X 92 78.875 10.954 -15.588 1.00 1.00 C ATOM 1531 O LYS X 92 77.989 11.684 -15.989 1.00 1.00 O ATOM 1532 CB LYS X 92 80.982 10.479 -16.839 1.00 1.00 C ATOM 1533 CG LYS X 92 82.357 11.043 -17.200 1.00 1.00 C ATOM 1534 CD LYS X 92 83.001 10.167 -18.278 1.00 1.00 C ATOM 1535 CE LYS X 92 84.374 10.734 -18.644 1.00 1.00 C ATOM 1536 NZ LYS X 92 85.003 9.878 -19.689 1.00 1.00 N ATOM 0 H LYS X 92 81.806 10.406 -14.491 1.00 1.00 H new ATOM 0 HA LYS X 92 80.421 12.392 -16.013 1.00 1.00 H new ATOM 0 HB2 LYS X 92 81.078 9.448 -16.497 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.341 10.464 -17.720 1.00 1.00 H new ATOM 0 HG2 LYS X 92 82.259 12.067 -17.559 1.00 1.00 H new ATOM 0 HG3 LYS X 92 82.992 11.075 -16.315 1.00 1.00 H new ATOM 0 HD2 LYS X 92 83.103 9.144 -17.917 1.00 1.00 H new ATOM 0 HD3 LYS X 92 82.363 10.131 -19.161 1.00 1.00 H new ATOM 0 HE2 LYS X 92 84.272 11.756 -19.009 1.00 1.00 H new ATOM 0 HE3 LYS X 92 85.010 10.774 -17.760 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 85.936 10.263 -19.938 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 85.114 8.910 -19.325 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 84.398 9.862 -20.535 1.00 1.00 H new ATOM 1550 N LYS X 93 78.603 9.822 -14.997 1.00 1.00 N ATOM 1551 CA LYS X 93 77.187 9.400 -14.811 1.00 1.00 C ATOM 1552 C LYS X 93 76.571 10.181 -13.648 1.00 1.00 C ATOM 1553 O LYS X 93 77.157 10.304 -12.591 1.00 1.00 O ATOM 1554 CB LYS X 93 77.137 7.901 -14.507 1.00 1.00 C ATOM 1555 CG LYS X 93 75.681 7.458 -14.351 1.00 1.00 C ATOM 1556 CD LYS X 93 75.625 5.942 -14.164 1.00 1.00 C ATOM 1557 CE LYS X 93 74.169 5.499 -14.011 1.00 1.00 C ATOM 1558 NZ LYS X 93 74.116 4.023 -13.814 1.00 1.00 N ATOM 0 H LYS X 93 79.301 9.172 -14.635 1.00 1.00 H new ATOM 0 HA LYS X 93 76.624 9.603 -15.722 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.614 7.340 -15.311 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.693 7.686 -13.595 1.00 1.00 H new ATOM 0 HG2 LYS X 93 75.228 7.957 -13.495 1.00 1.00 H new ATOM 0 HG3 LYS X 93 75.106 7.748 -15.230 1.00 1.00 H new ATOM 0 HD2 LYS X 93 76.080 5.443 -15.019 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.199 5.652 -13.284 1.00 1.00 H new ATOM 0 HE2 LYS X 93 73.711 6.006 -13.162 1.00 1.00 H new ATOM 0 HE3 LYS X 93 73.598 5.779 -14.896 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 73.126 3.722 -13.710 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 74.538 3.548 -14.637 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 74.647 3.768 -12.957 1.00 1.00 H new ATOM 1572 N GLU X 94 75.393 10.713 -13.836 1.00 1.00 N ATOM 1573 CA GLU X 94 74.743 11.489 -12.744 1.00 1.00 C ATOM 1574 C GLU X 94 74.068 10.526 -11.768 1.00 1.00 C ATOM 1575 O GLU X 94 73.279 9.689 -12.159 1.00 1.00 O ATOM 1576 CB GLU X 94 73.691 12.424 -13.341 1.00 1.00 C ATOM 1577 CG GLU X 94 74.382 13.498 -14.185 1.00 1.00 C ATOM 1578 CD GLU X 94 73.328 14.406 -14.820 1.00 1.00 C ATOM 1579 OE1 GLU X 94 72.153 14.162 -14.599 1.00 1.00 O ATOM 1580 OE2 GLU X 94 73.713 15.332 -15.515 1.00 1.00 O ATOM 0 H GLU X 94 74.854 10.643 -14.699 1.00 1.00 H new ATOM 0 HA GLU X 94 75.496 12.075 -12.217 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.992 11.857 -13.956 1.00 1.00 H new ATOM 0 HB3 GLU X 94 73.110 12.890 -12.545 1.00 1.00 H new ATOM 0 HG2 GLU X 94 75.056 14.086 -13.563 1.00 1.00 H new ATOM 0 HG3 GLU X 94 74.989 13.031 -14.960 1.00 1.00 H new ATOM 1587 N VAL X 95 74.377 10.636 -10.501 1.00 1.00 N ATOM 1588 CA VAL X 95 73.757 9.726 -9.493 1.00 1.00 C ATOM 1589 C VAL X 95 73.274 10.548 -8.299 1.00 1.00 C ATOM 1590 O VAL X 95 73.588 11.715 -8.178 1.00 1.00 O ATOM 1591 CB VAL X 95 74.789 8.701 -9.028 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.973 9.423 -8.385 1.00 1.00 C ATOM 1593 CG2 VAL X 95 74.145 7.764 -8.004 1.00 1.00 C ATOM 0 H VAL X 95 75.033 11.318 -10.121 1.00 1.00 H new ATOM 0 HA VAL X 95 72.911 9.206 -9.942 1.00 1.00 H new ATOM 0 HB VAL X 95 75.140 8.123 -9.883 1.00 1.00 H new ATOM 0 HG11 VAL X 95 76.709 8.691 -8.053 1.00 1.00 H new ATOM 0 HG12 VAL X 95 76.430 10.093 -9.114 1.00 1.00 H new ATOM 0 HG13 VAL X 95 75.625 10.001 -7.529 1.00 1.00 H new ATOM 0 HG21 VAL X 95 74.879 7.031 -7.670 1.00 1.00 H new ATOM 0 HG22 VAL X 95 73.796 8.344 -7.149 1.00 1.00 H new ATOM 0 HG23 VAL X 95 73.301 7.249 -8.462 1.00 1.00 H new ATOM 1603 N ASN X 96 72.507 9.948 -7.425 1.00 1.00 N ATOM 1604 CA ASN X 96 71.994 10.691 -6.236 1.00 1.00 C ATOM 1605 C ASN X 96 72.377 9.936 -4.957 1.00 1.00 C ATOM 1606 O ASN X 96 71.586 9.201 -4.404 1.00 1.00 O ATOM 1607 CB ASN X 96 70.476 10.809 -6.325 1.00 1.00 C ATOM 1608 CG ASN X 96 69.986 11.810 -5.277 1.00 1.00 C ATOM 1609 OD1 ASN X 96 69.768 11.454 -4.136 1.00 1.00 O ATOM 1610 ND2 ASN X 96 69.797 13.056 -5.618 1.00 1.00 N ATOM 0 H ASN X 96 72.213 8.973 -7.484 1.00 1.00 H new ATOM 0 HA ASN X 96 72.433 11.688 -6.213 1.00 1.00 H new ATOM 0 HB2 ASN X 96 70.183 11.136 -7.323 1.00 1.00 H new ATOM 0 HB3 ASN X 96 70.013 9.836 -6.160 1.00 1.00 H new ATOM 0 HD21 ASN X 96 69.467 13.729 -4.927 1.00 1.00 H new ATOM 0 HD22 ASN X 96 69.980 13.356 -6.576 1.00 1.00 H new ATOM 1617 N PRO X 97 73.589 10.116 -4.498 1.00 1.00 N ATOM 1618 CA PRO X 97 74.098 9.445 -3.273 1.00 1.00 C ATOM 1619 C PRO X 97 73.663 10.165 -1.994 1.00 1.00 C ATOM 1620 O PRO X 97 72.821 11.039 -2.016 1.00 1.00 O ATOM 1621 CB PRO X 97 75.615 9.509 -3.436 1.00 1.00 C ATOM 1622 CG PRO X 97 75.881 10.704 -4.294 1.00 1.00 C ATOM 1623 CD PRO X 97 74.611 10.985 -5.097 1.00 1.00 C ATOM 0 HA PRO X 97 73.712 8.431 -3.173 1.00 1.00 H new ATOM 0 HB2 PRO X 97 76.109 9.604 -2.469 1.00 1.00 H new ATOM 0 HB3 PRO X 97 75.997 8.600 -3.901 1.00 1.00 H new ATOM 0 HG2 PRO X 97 76.145 11.565 -3.680 1.00 1.00 H new ATOM 0 HG3 PRO X 97 76.723 10.517 -4.961 1.00 1.00 H new ATOM 0 HD2 PRO X 97 74.326 12.035 -5.031 1.00 1.00 H new ATOM 0 HD3 PRO X 97 74.753 10.759 -6.154 1.00 1.00 H new ATOM 1631 N GLN X 98 74.233 9.802 -0.880 1.00 1.00 N ATOM 1632 CA GLN X 98 73.854 10.464 0.402 1.00 1.00 C ATOM 1633 C GLN X 98 74.295 11.926 0.373 1.00 1.00 C ATOM 1634 O GLN X 98 73.560 12.808 0.772 1.00 1.00 O ATOM 1635 CB GLN X 98 74.532 9.748 1.572 1.00 1.00 C ATOM 1636 CG GLN X 98 73.917 8.359 1.749 1.00 1.00 C ATOM 1637 CD GLN X 98 74.644 7.616 2.870 1.00 1.00 C ATOM 1638 OE1 GLN X 98 75.454 8.189 3.571 1.00 1.00 O ATOM 1639 NE2 GLN X 98 74.388 6.352 3.071 1.00 1.00 N ATOM 0 H GLN X 98 74.945 9.076 -0.800 1.00 1.00 H new ATOM 0 HA GLN X 98 72.772 10.414 0.527 1.00 1.00 H new ATOM 0 HB2 GLN X 98 75.603 9.662 1.388 1.00 1.00 H new ATOM 0 HB3 GLN X 98 74.412 10.329 2.486 1.00 1.00 H new ATOM 0 HG2 GLN X 98 72.857 8.447 1.985 1.00 1.00 H new ATOM 0 HG3 GLN X 98 73.991 7.796 0.818 1.00 1.00 H new ATOM 0 HE21 GLN X 98 73.708 5.870 2.483 1.00 1.00 H new ATOM 0 HE22 GLN X 98 74.868 5.847 3.816 1.00 1.00 H new ATOM 1648 N VAL X 99 75.488 12.187 -0.097 1.00 1.00 N ATOM 1649 CA VAL X 99 75.986 13.594 -0.155 1.00 1.00 C ATOM 1650 C VAL X 99 76.415 13.923 -1.584 1.00 1.00 C ATOM 1651 O VAL X 99 77.105 13.159 -2.228 1.00 1.00 O ATOM 1652 CB VAL X 99 77.179 13.753 0.788 1.00 1.00 C ATOM 1653 CG1 VAL X 99 77.837 15.113 0.550 1.00 1.00 C ATOM 1654 CG2 VAL X 99 76.700 13.664 2.240 1.00 1.00 C ATOM 0 H VAL X 99 76.140 11.484 -0.444 1.00 1.00 H new ATOM 0 HA VAL X 99 75.191 14.274 0.151 1.00 1.00 H new ATOM 0 HB VAL X 99 77.902 12.960 0.596 1.00 1.00 H new ATOM 0 HG11 VAL X 99 78.688 15.228 1.222 1.00 1.00 H new ATOM 0 HG12 VAL X 99 78.179 15.176 -0.483 1.00 1.00 H new ATOM 0 HG13 VAL X 99 77.114 15.906 0.742 1.00 1.00 H new ATOM 0 HG21 VAL X 99 77.551 13.777 2.911 1.00 1.00 H new ATOM 0 HG22 VAL X 99 75.977 14.456 2.434 1.00 1.00 H new ATOM 0 HG23 VAL X 99 76.231 12.695 2.410 1.00 1.00 H new ATOM 1664 N MET X 100 76.010 15.057 -2.086 1.00 1.00 N ATOM 1665 CA MET X 100 76.395 15.437 -3.474 1.00 1.00 C ATOM 1666 C MET X 100 77.686 16.256 -3.439 1.00 1.00 C ATOM 1667 O MET X 100 77.594 17.468 -3.344 1.00 1.00 O ATOM 1668 CB MET X 100 75.277 16.271 -4.103 1.00 1.00 C ATOM 1669 CG MET X 100 75.646 16.608 -5.549 1.00 1.00 C ATOM 1670 SD MET X 100 74.261 17.472 -6.334 1.00 1.00 S ATOM 1671 CE MET X 100 74.318 18.969 -5.319 1.00 1.00 C ATOM 1672 OXT MET X 100 78.747 15.656 -3.509 1.00 1.00 O ATOM 0 H MET X 100 75.429 15.737 -1.595 1.00 1.00 H new ATOM 0 HA MET X 100 76.553 14.536 -4.067 1.00 1.00 H new ATOM 0 HB2 MET X 100 74.337 15.719 -4.075 1.00 1.00 H new ATOM 0 HB3 MET X 100 75.126 17.187 -3.532 1.00 1.00 H new ATOM 0 HG2 MET X 100 76.539 17.232 -5.573 1.00 1.00 H new ATOM 0 HG3 MET X 100 75.880 15.696 -6.099 1.00 1.00 H new ATOM 0 HE1 MET X 100 74.119 19.840 -5.944 1.00 1.00 H new ATOM 0 HE2 MET X 100 73.564 18.905 -4.534 1.00 1.00 H new ATOM 0 HE3 MET X 100 75.305 19.065 -4.867 1.00 1.00 H new TER 1682 MET X 100