USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=25 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 Single : X 1 MET CE :methyl -155:sc= -0.168 (180deg=-1.06) USER MOD Single : X 1 MET N :NH3+ -148:sc= -0.0321 (180deg=-0.383) USER MOD Single : X 3 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.25) USER MOD Single : X 6 SER OG : rot 180:sc= -0.211 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 8 HIS : no HD1:sc= -1.98! K(o=-2!,f=0.34) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : X 16 LYS NZ :NH3+ -128:sc= 0.25 (180deg=-1.15) USER MOD Single : X 17 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.44) 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+ -160:sc=-0.00979 (180deg=-0.27) USER MOD Single : X 27 LYS NZ :NH3+ -170:sc= -1.13 (180deg=-1.46) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 173:sc= 0.468 (180deg=0.439) USER MOD Single : X 39 LYS NZ :NH3+ -175:sc= -2.12! (180deg=-2.39!) USER MOD Single : X 41 THR OG1 : rot 114:sc= 0.651 USER MOD Single : X 42 CYS SG : rot 180:sc= -3.1! USER MOD Single : X 47 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.92!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ -141:sc= -3.42 (180deg=-5.02!) USER MOD Single : X 62 CYS SG : rot 180:sc= 0 USER MOD Single : X 64 GLN : amide:sc= 0 K(o=0,f=-0.72) 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= -3.65! K(o=-3.7!,f=-0.81) USER MOD Single : X 69 THR OG1 : rot 83:sc= 1.04 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot -170:sc= -0.915 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN : amide:sc= -0.335 K(o=-0.33,f=-2.7!) USER MOD Single : X 87 LYS NZ :NH3+ -175:sc= 0.00521 (180deg=-0.289!) USER MOD Single : X 92 LYS NZ :NH3+ -166:sc=-0.00338 (180deg=-0.198) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= -2.6! K(o=-2.6!,f=0.083) USER MOD Single : X 98 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.6!) USER MOD Single : X 100 MET CE :methyl 140:sc= -0.24 (180deg=-1.37!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 70.747 -5.540 0.837 1.00 1.00 N ATOM 2 CA MET X 1 70.913 -7.013 1.001 1.00 1.00 C ATOM 3 C MET X 1 70.378 -7.727 -0.243 1.00 1.00 C ATOM 4 O MET X 1 70.818 -7.481 -1.348 1.00 1.00 O ATOM 5 CB MET X 1 70.132 -7.479 2.231 1.00 1.00 C ATOM 6 CG MET X 1 70.749 -6.865 3.489 1.00 1.00 C ATOM 7 SD MET X 1 69.867 -7.469 4.950 1.00 1.00 S ATOM 8 CE MET X 1 68.307 -6.605 4.645 1.00 1.00 C ATOM 0 H1 MET X 1 71.519 -5.047 1.329 1.00 1.00 H new ATOM 0 H2 MET X 1 70.770 -5.298 -0.174 1.00 1.00 H new ATOM 0 H3 MET X 1 69.835 -5.246 1.242 1.00 1.00 H new ATOM 0 HA MET X 1 71.969 -7.249 1.130 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.086 -7.184 2.144 1.00 1.00 H new ATOM 0 HB3 MET X 1 70.152 -8.567 2.297 1.00 1.00 H new ATOM 0 HG2 MET X 1 71.805 -7.127 3.554 1.00 1.00 H new ATOM 0 HG3 MET X 1 70.693 -5.778 3.441 1.00 1.00 H new ATOM 0 HE1 MET X 1 67.781 -6.460 5.589 1.00 1.00 H new ATOM 0 HE2 MET X 1 68.511 -5.636 4.190 1.00 1.00 H new ATOM 0 HE3 MET X 1 67.688 -7.198 3.972 1.00 1.00 H new ATOM 20 N GLY X 2 69.434 -8.610 -0.070 1.00 1.00 N ATOM 21 CA GLY X 2 68.863 -9.330 -1.245 1.00 1.00 C ATOM 22 C GLY X 2 69.734 -10.543 -1.574 1.00 1.00 C ATOM 23 O GLY X 2 69.509 -11.234 -2.549 1.00 1.00 O ATOM 0 H GLY X 2 69.033 -8.865 0.833 1.00 1.00 H new ATOM 0 HA2 GLY X 2 67.843 -9.649 -1.029 1.00 1.00 H new ATOM 0 HA3 GLY X 2 68.812 -8.662 -2.105 1.00 1.00 H new ATOM 27 N GLN X 3 70.727 -10.808 -0.771 1.00 1.00 N ATOM 28 CA GLN X 3 71.623 -11.967 -1.049 1.00 1.00 C ATOM 29 C GLN X 3 71.748 -12.828 0.210 1.00 1.00 C ATOM 30 O GLN X 3 71.490 -12.379 1.309 1.00 1.00 O ATOM 31 CB GLN X 3 73.005 -11.456 -1.459 1.00 1.00 C ATOM 32 CG GLN X 3 72.902 -10.717 -2.795 1.00 1.00 C ATOM 33 CD GLN X 3 72.495 -11.698 -3.894 1.00 1.00 C ATOM 34 OE1 GLN X 3 73.179 -12.673 -4.138 1.00 1.00 O ATOM 35 NE2 GLN X 3 71.401 -11.483 -4.573 1.00 1.00 N ATOM 0 H GLN X 3 70.957 -10.272 0.066 1.00 1.00 H new ATOM 0 HA GLN X 3 71.204 -12.566 -1.858 1.00 1.00 H new ATOM 0 HB2 GLN X 3 73.400 -10.789 -0.692 1.00 1.00 H new ATOM 0 HB3 GLN X 3 73.702 -12.290 -1.546 1.00 1.00 H new ATOM 0 HG2 GLN X 3 72.170 -9.913 -2.722 1.00 1.00 H new ATOM 0 HG3 GLN X 3 73.858 -10.256 -3.041 1.00 1.00 H new ATOM 0 HE21 GLN X 3 70.827 -10.665 -4.369 1.00 1.00 H new ATOM 0 HE22 GLN X 3 71.121 -12.133 -5.308 1.00 1.00 H new ATOM 44 N GLU X 4 72.144 -14.062 0.059 1.00 1.00 N ATOM 45 CA GLU X 4 72.297 -14.946 1.248 1.00 1.00 C ATOM 46 C GLU X 4 73.261 -14.300 2.246 1.00 1.00 C ATOM 47 O GLU X 4 74.244 -13.693 1.870 1.00 1.00 O ATOM 48 CB GLU X 4 72.855 -16.302 0.807 1.00 1.00 C ATOM 49 CG GLU X 4 71.796 -17.050 -0.004 1.00 1.00 C ATOM 50 CD GLU X 4 72.358 -18.401 -0.453 1.00 1.00 C ATOM 51 OE1 GLU X 4 73.502 -18.680 -0.134 1.00 1.00 O ATOM 52 OE2 GLU X 4 71.635 -19.132 -1.109 1.00 1.00 O ATOM 0 H GLU X 4 72.368 -14.496 -0.836 1.00 1.00 H new ATOM 0 HA GLU X 4 71.325 -15.088 1.721 1.00 1.00 H new ATOM 0 HB2 GLU X 4 73.754 -16.160 0.207 1.00 1.00 H new ATOM 0 HB3 GLU X 4 73.143 -16.890 1.679 1.00 1.00 H new ATOM 0 HG2 GLU X 4 70.900 -17.199 0.598 1.00 1.00 H new ATOM 0 HG3 GLU X 4 71.503 -16.459 -0.872 1.00 1.00 H new ATOM 59 N LEU X 5 72.985 -14.424 3.516 1.00 1.00 N ATOM 60 CA LEU X 5 73.888 -13.822 4.537 1.00 1.00 C ATOM 61 C LEU X 5 74.852 -14.889 5.059 1.00 1.00 C ATOM 62 O LEU X 5 74.481 -15.751 5.829 1.00 1.00 O ATOM 63 CB LEU X 5 73.054 -13.273 5.698 1.00 1.00 C ATOM 64 CG LEU X 5 72.289 -12.032 5.236 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.321 -11.591 6.335 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.279 -10.902 4.944 1.00 1.00 C ATOM 0 H LEU X 5 72.174 -14.916 3.890 1.00 1.00 H new ATOM 0 HA LEU X 5 74.457 -13.010 4.084 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.356 -14.033 6.050 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.702 -13.022 6.538 1.00 1.00 H new ATOM 0 HG LEU X 5 71.728 -12.267 4.331 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.776 -10.706 6.006 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.616 -12.396 6.543 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.881 -11.356 7.240 1.00 1.00 H new ATOM 0 HD21 LEU X 5 72.734 -10.017 4.615 1.00 1.00 H new ATOM 0 HD22 LEU X 5 73.840 -10.667 5.849 1.00 1.00 H new ATOM 0 HD23 LEU X 5 73.969 -11.216 4.161 1.00 1.00 H new ATOM 78 N SER X 6 76.090 -14.835 4.648 1.00 1.00 N ATOM 79 CA SER X 6 77.078 -15.848 5.119 1.00 1.00 C ATOM 80 C SER X 6 77.633 -15.429 6.482 1.00 1.00 C ATOM 81 O SER X 6 77.368 -14.346 6.964 1.00 1.00 O ATOM 82 CB SER X 6 78.224 -15.947 4.112 1.00 1.00 C ATOM 83 OG SER X 6 78.695 -14.640 3.806 1.00 1.00 O ATOM 0 H SER X 6 76.460 -14.133 4.007 1.00 1.00 H new ATOM 0 HA SER X 6 76.587 -16.817 5.210 1.00 1.00 H new ATOM 0 HB2 SER X 6 79.033 -16.551 4.523 1.00 1.00 H new ATOM 0 HB3 SER X 6 77.884 -16.445 3.204 1.00 1.00 H new ATOM 0 HG SER X 6 79.431 -14.700 3.162 1.00 1.00 H new ATOM 89 N GLN X 7 78.398 -16.280 7.107 1.00 1.00 N ATOM 90 CA GLN X 7 78.968 -15.929 8.439 1.00 1.00 C ATOM 91 C GLN X 7 79.767 -14.628 8.325 1.00 1.00 C ATOM 92 O GLN X 7 79.633 -13.732 9.134 1.00 1.00 O ATOM 93 CB GLN X 7 79.890 -17.054 8.915 1.00 1.00 C ATOM 94 CG GLN X 7 79.054 -18.180 9.525 1.00 1.00 C ATOM 95 CD GLN X 7 79.968 -19.341 9.921 1.00 1.00 C ATOM 96 OE1 GLN X 7 80.457 -19.393 11.032 1.00 1.00 O ATOM 97 NE2 GLN X 7 80.222 -20.281 9.051 1.00 1.00 N ATOM 0 H GLN X 7 78.653 -17.202 6.754 1.00 1.00 H new ATOM 0 HA GLN X 7 78.158 -15.797 9.156 1.00 1.00 H new ATOM 0 HB2 GLN X 7 80.477 -17.435 8.079 1.00 1.00 H new ATOM 0 HB3 GLN X 7 80.596 -16.672 9.652 1.00 1.00 H new ATOM 0 HG2 GLN X 7 78.515 -17.814 10.399 1.00 1.00 H new ATOM 0 HG3 GLN X 7 78.306 -18.521 8.809 1.00 1.00 H new ATOM 0 HE21 GLN X 7 79.811 -20.237 8.118 1.00 1.00 H new ATOM 0 HE22 GLN X 7 80.831 -21.059 9.304 1.00 1.00 H new ATOM 106 N HIS X 8 80.598 -14.519 7.324 1.00 1.00 N ATOM 107 CA HIS X 8 81.404 -13.277 7.157 1.00 1.00 C ATOM 108 C HIS X 8 80.477 -12.105 6.828 1.00 1.00 C ATOM 109 O HIS X 8 80.612 -11.024 7.367 1.00 1.00 O ATOM 110 CB HIS X 8 82.405 -13.469 6.015 1.00 1.00 C ATOM 111 CG HIS X 8 82.788 -14.920 5.923 1.00 1.00 C ATOM 112 ND1 HIS X 8 83.930 -15.424 6.532 1.00 1.00 N ATOM 113 CD2 HIS X 8 82.192 -15.989 5.299 1.00 1.00 C ATOM 114 CE1 HIS X 8 83.985 -16.743 6.263 1.00 1.00 C ATOM 115 NE2 HIS X 8 82.950 -17.134 5.517 1.00 1.00 N ATOM 0 H HIS X 8 80.753 -15.236 6.615 1.00 1.00 H new ATOM 0 HA HIS X 8 81.941 -13.067 8.082 1.00 1.00 H new ATOM 0 HB2 HIS X 8 81.967 -13.137 5.074 1.00 1.00 H new ATOM 0 HB3 HIS X 8 83.291 -12.858 6.187 1.00 1.00 H new ATOM 0 HD2 HIS X 8 81.277 -15.947 4.728 1.00 1.00 H new ATOM 0 HE1 HIS X 8 84.769 -17.401 6.608 1.00 1.00 H new ATOM 0 HE2 HIS X 8 82.756 -18.076 5.178 1.00 1.00 H new ATOM 123 N GLU X 9 79.534 -12.310 5.949 1.00 1.00 N ATOM 124 CA GLU X 9 78.611 -11.201 5.577 1.00 1.00 C ATOM 125 C GLU X 9 77.858 -10.727 6.821 1.00 1.00 C ATOM 126 O GLU X 9 77.628 -9.548 7.009 1.00 1.00 O ATOM 127 CB GLU X 9 77.610 -11.701 4.532 1.00 1.00 C ATOM 128 CG GLU X 9 78.276 -11.723 3.156 1.00 1.00 C ATOM 129 CD GLU X 9 77.291 -12.271 2.121 1.00 1.00 C ATOM 130 OE1 GLU X 9 76.147 -12.493 2.481 1.00 1.00 O ATOM 131 OE2 GLU X 9 77.698 -12.459 0.986 1.00 1.00 O ATOM 0 H GLU X 9 79.363 -13.196 5.473 1.00 1.00 H new ATOM 0 HA GLU X 9 79.185 -10.372 5.163 1.00 1.00 H new ATOM 0 HB2 GLU X 9 77.262 -12.700 4.795 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.734 -11.053 4.513 1.00 1.00 H new ATOM 0 HG2 GLU X 9 78.592 -10.718 2.877 1.00 1.00 H new ATOM 0 HG3 GLU X 9 79.173 -12.342 3.184 1.00 1.00 H new ATOM 138 N ARG X 10 77.473 -11.636 7.675 1.00 1.00 N ATOM 139 CA ARG X 10 76.750 -11.238 8.916 1.00 1.00 C ATOM 140 C ARG X 10 77.667 -10.379 9.790 1.00 1.00 C ATOM 141 O ARG X 10 77.235 -9.425 10.407 1.00 1.00 O ATOM 142 CB ARG X 10 76.339 -12.492 9.690 1.00 1.00 C ATOM 143 CG ARG X 10 75.202 -13.200 8.949 1.00 1.00 C ATOM 144 CD ARG X 10 74.857 -14.505 9.670 1.00 1.00 C ATOM 145 NE ARG X 10 74.348 -14.200 11.037 1.00 1.00 N ATOM 146 CZ ARG X 10 73.084 -13.933 11.219 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.264 -13.937 10.204 1.00 1.00 N ATOM 148 NH2 ARG X 10 72.639 -13.665 12.416 1.00 1.00 N ATOM 0 H ARG X 10 77.628 -12.638 7.567 1.00 1.00 H new ATOM 0 HA ARG X 10 75.861 -10.665 8.650 1.00 1.00 H new ATOM 0 HB2 ARG X 10 77.192 -13.163 9.796 1.00 1.00 H new ATOM 0 HB3 ARG X 10 76.019 -12.222 10.696 1.00 1.00 H new ATOM 0 HG2 ARG X 10 74.325 -12.554 8.904 1.00 1.00 H new ATOM 0 HG3 ARG X 10 75.498 -13.408 7.921 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.105 -15.057 9.106 1.00 1.00 H new ATOM 0 HD3 ARG X 10 75.739 -15.142 9.733 1.00 1.00 H new ATOM 0 HE ARG X 10 74.988 -14.200 11.831 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.611 -14.149 9.269 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.276 -13.728 10.346 1.00 1.00 H new ATOM 0 HH21 ARG X 10 73.279 -13.664 13.210 1.00 1.00 H new ATOM 0 HH22 ARG X 10 71.651 -13.456 12.558 1.00 1.00 H new ATOM 162 N TYR X 11 78.928 -10.708 9.849 1.00 1.00 N ATOM 163 CA TYR X 11 79.866 -9.909 10.686 1.00 1.00 C ATOM 164 C TYR X 11 79.886 -8.463 10.190 1.00 1.00 C ATOM 165 O TYR X 11 79.921 -7.530 10.967 1.00 1.00 O ATOM 166 CB TYR X 11 81.273 -10.503 10.583 1.00 1.00 C ATOM 167 CG TYR X 11 82.251 -9.606 11.306 1.00 1.00 C ATOM 168 CD1 TYR X 11 82.406 -9.714 12.694 1.00 1.00 C ATOM 169 CD2 TYR X 11 83.002 -8.669 10.588 1.00 1.00 C ATOM 170 CE1 TYR X 11 83.313 -8.883 13.362 1.00 1.00 C ATOM 171 CE2 TYR X 11 83.909 -7.838 11.257 1.00 1.00 C ATOM 172 CZ TYR X 11 84.064 -7.945 12.645 1.00 1.00 C ATOM 173 OH TYR X 11 84.957 -7.126 13.304 1.00 1.00 O ATOM 0 H TYR X 11 79.349 -11.495 9.354 1.00 1.00 H new ATOM 0 HA TYR X 11 79.536 -9.932 11.725 1.00 1.00 H new ATOM 0 HB2 TYR X 11 81.290 -11.503 11.017 1.00 1.00 H new ATOM 0 HB3 TYR X 11 81.561 -10.605 9.537 1.00 1.00 H new ATOM 0 HD1 TYR X 11 81.826 -10.438 13.248 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.882 -8.587 9.518 1.00 1.00 H new ATOM 0 HE1 TYR X 11 83.433 -8.966 14.432 1.00 1.00 H new ATOM 0 HE2 TYR X 11 84.489 -7.115 10.703 1.00 1.00 H new ATOM 0 HH TYR X 11 85.396 -6.534 12.658 1.00 1.00 H new ATOM 183 N VAL X 12 79.867 -8.267 8.898 1.00 1.00 N ATOM 184 CA VAL X 12 79.894 -6.879 8.357 1.00 1.00 C ATOM 185 C VAL X 12 78.627 -6.141 8.794 1.00 1.00 C ATOM 186 O VAL X 12 78.674 -5.003 9.215 1.00 1.00 O ATOM 187 CB VAL X 12 79.950 -6.926 6.830 1.00 1.00 C ATOM 188 CG1 VAL X 12 80.320 -5.543 6.291 1.00 1.00 C ATOM 189 CG2 VAL X 12 81.009 -7.942 6.393 1.00 1.00 C ATOM 0 H VAL X 12 79.834 -9.007 8.197 1.00 1.00 H new ATOM 0 HA VAL X 12 80.773 -6.358 8.737 1.00 1.00 H new ATOM 0 HB VAL X 12 78.976 -7.220 6.438 1.00 1.00 H new ATOM 0 HG11 VAL X 12 80.360 -5.576 5.202 1.00 1.00 H new ATOM 0 HG12 VAL X 12 79.570 -4.817 6.605 1.00 1.00 H new ATOM 0 HG13 VAL X 12 81.294 -5.249 6.681 1.00 1.00 H new ATOM 0 HG21 VAL X 12 81.051 -7.978 5.304 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.982 -7.645 6.784 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.749 -8.928 6.779 1.00 1.00 H new ATOM 199 N GLU X 13 77.496 -6.783 8.697 1.00 1.00 N ATOM 200 CA GLU X 13 76.229 -6.120 9.110 1.00 1.00 C ATOM 201 C GLU X 13 76.350 -5.652 10.560 1.00 1.00 C ATOM 202 O GLU X 13 75.923 -4.570 10.910 1.00 1.00 O ATOM 203 CB GLU X 13 75.069 -7.110 8.987 1.00 1.00 C ATOM 204 CG GLU X 13 73.761 -6.417 9.375 1.00 1.00 C ATOM 205 CD GLU X 13 72.598 -7.398 9.226 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.789 -8.419 8.587 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.535 -7.111 9.753 1.00 1.00 O ATOM 0 H GLU X 13 77.395 -7.737 8.350 1.00 1.00 H new ATOM 0 HA GLU X 13 76.041 -5.262 8.465 1.00 1.00 H new ATOM 0 HB2 GLU X 13 75.005 -7.486 7.966 1.00 1.00 H new ATOM 0 HB3 GLU X 13 75.242 -7.971 9.633 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.818 -6.059 10.403 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.598 -5.545 8.742 1.00 1.00 H new ATOM 214 N GLN X 14 76.927 -6.459 11.410 1.00 1.00 N ATOM 215 CA GLN X 14 77.086 -6.042 12.832 1.00 1.00 C ATOM 216 C GLN X 14 78.052 -4.861 12.896 1.00 1.00 C ATOM 217 O GLN X 14 77.899 -3.963 13.701 1.00 1.00 O ATOM 218 CB GLN X 14 77.651 -7.209 13.646 1.00 1.00 C ATOM 219 CG GLN X 14 77.695 -6.825 15.126 1.00 1.00 C ATOM 220 CD GLN X 14 78.057 -8.053 15.962 1.00 1.00 C ATOM 221 OE1 GLN X 14 78.271 -9.124 15.429 1.00 1.00 O ATOM 222 NE2 GLN X 14 78.133 -7.946 17.261 1.00 1.00 N ATOM 0 H GLN X 14 77.293 -7.383 11.182 1.00 1.00 H new ATOM 0 HA GLN X 14 76.119 -5.752 13.243 1.00 1.00 H new ATOM 0 HB2 GLN X 14 77.032 -8.096 13.508 1.00 1.00 H new ATOM 0 HB3 GLN X 14 78.652 -7.460 13.295 1.00 1.00 H new ATOM 0 HG2 GLN X 14 78.428 -6.034 15.286 1.00 1.00 H new ATOM 0 HG3 GLN X 14 76.728 -6.431 15.439 1.00 1.00 H new ATOM 0 HE21 GLN X 14 77.954 -7.048 17.710 1.00 1.00 H new ATOM 0 HE22 GLN X 14 78.372 -8.760 17.827 1.00 1.00 H new ATOM 231 N LEU X 15 79.055 -4.858 12.062 1.00 1.00 N ATOM 232 CA LEU X 15 80.039 -3.743 12.091 1.00 1.00 C ATOM 233 C LEU X 15 79.322 -2.443 11.726 1.00 1.00 C ATOM 234 O LEU X 15 79.555 -1.404 12.311 1.00 1.00 O ATOM 235 CB LEU X 15 81.154 -4.016 11.079 1.00 1.00 C ATOM 236 CG LEU X 15 82.137 -2.845 11.077 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.757 -2.696 12.466 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.242 -3.112 10.051 1.00 1.00 C ATOM 0 H LEU X 15 79.234 -5.579 11.363 1.00 1.00 H new ATOM 0 HA LEU X 15 80.474 -3.659 13.087 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.673 -4.940 11.334 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.731 -4.152 10.084 1.00 1.00 H new ATOM 0 HG LEU X 15 81.610 -1.928 10.816 1.00 1.00 H new ATOM 0 HD11 LEU X 15 83.458 -1.861 12.464 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.971 -2.508 13.197 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.285 -3.612 12.729 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.944 -2.278 10.047 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.769 -4.029 10.314 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.800 -3.219 9.060 1.00 1.00 H new ATOM 250 N LYS X 16 78.448 -2.496 10.756 1.00 1.00 N ATOM 251 CA LYS X 16 77.721 -1.267 10.334 1.00 1.00 C ATOM 252 C LYS X 16 76.870 -0.752 11.496 1.00 1.00 C ATOM 253 O LYS X 16 76.791 0.435 11.740 1.00 1.00 O ATOM 254 CB LYS X 16 76.814 -1.593 9.145 1.00 1.00 C ATOM 255 CG LYS X 16 76.119 -0.316 8.669 1.00 1.00 C ATOM 256 CD LYS X 16 75.307 -0.619 7.408 1.00 1.00 C ATOM 257 CE LYS X 16 74.593 0.652 6.943 1.00 1.00 C ATOM 258 NZ LYS X 16 73.833 0.366 5.694 1.00 1.00 N ATOM 0 H LYS X 16 78.207 -3.341 10.237 1.00 1.00 H new ATOM 0 HA LYS X 16 78.441 -0.502 10.044 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.401 -2.025 8.334 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.072 -2.338 9.433 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.466 0.069 9.452 1.00 1.00 H new ATOM 0 HG3 LYS X 16 76.858 0.458 8.462 1.00 1.00 H new ATOM 0 HD2 LYS X 16 75.963 -0.989 6.620 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.579 -1.404 7.611 1.00 1.00 H new ATOM 0 HE2 LYS X 16 73.916 1.007 7.720 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.319 1.446 6.766 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 74.085 1.066 4.967 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 74.070 -0.588 5.354 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 72.813 0.420 5.888 1.00 1.00 H new ATOM 272 N GLN X 17 76.235 -1.635 12.215 1.00 1.00 N ATOM 273 CA GLN X 17 75.391 -1.189 13.358 1.00 1.00 C ATOM 274 C GLN X 17 76.252 -0.386 14.334 1.00 1.00 C ATOM 275 O GLN X 17 75.863 0.665 14.802 1.00 1.00 O ATOM 276 CB GLN X 17 74.812 -2.410 14.075 1.00 1.00 C ATOM 277 CG GLN X 17 73.835 -3.133 13.146 1.00 1.00 C ATOM 278 CD GLN X 17 72.642 -2.222 12.849 1.00 1.00 C ATOM 279 OE1 GLN X 17 72.040 -1.676 13.753 1.00 1.00 O ATOM 280 NE2 GLN X 17 72.273 -2.034 11.612 1.00 1.00 N ATOM 0 H GLN X 17 76.264 -2.643 12.061 1.00 1.00 H new ATOM 0 HA GLN X 17 74.575 -0.567 12.989 1.00 1.00 H new ATOM 0 HB2 GLN X 17 75.615 -3.085 14.372 1.00 1.00 H new ATOM 0 HB3 GLN X 17 74.302 -2.101 14.987 1.00 1.00 H new ATOM 0 HG2 GLN X 17 74.336 -3.408 12.218 1.00 1.00 H new ATOM 0 HG3 GLN X 17 73.493 -4.058 13.610 1.00 1.00 H new ATOM 0 HE21 GLN X 17 72.778 -2.492 10.854 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.479 -1.429 11.403 1.00 1.00 H new ATOM 289 N ALA X 18 77.424 -0.874 14.641 1.00 1.00 N ATOM 290 CA ALA X 18 78.313 -0.141 15.584 1.00 1.00 C ATOM 291 C ALA X 18 78.777 1.163 14.934 1.00 1.00 C ATOM 292 O ALA X 18 78.841 2.196 15.571 1.00 1.00 O ATOM 293 CB ALA X 18 79.531 -1.007 15.914 1.00 1.00 C ATOM 0 H ALA X 18 77.803 -1.749 14.279 1.00 1.00 H new ATOM 0 HA ALA X 18 77.767 0.082 16.501 1.00 1.00 H new ATOM 0 HB1 ALA X 18 80.182 -0.471 16.604 1.00 1.00 H new ATOM 0 HB2 ALA X 18 79.201 -1.938 16.375 1.00 1.00 H new ATOM 0 HB3 ALA X 18 80.078 -1.230 14.998 1.00 1.00 H new ATOM 299 N LEU X 19 79.099 1.125 13.670 1.00 1.00 N ATOM 300 CA LEU X 19 79.540 2.368 12.980 1.00 1.00 C ATOM 301 C LEU X 19 78.390 3.376 12.967 1.00 1.00 C ATOM 302 O LEU X 19 78.588 4.562 13.135 1.00 1.00 O ATOM 303 CB LEU X 19 79.947 2.038 11.543 1.00 1.00 C ATOM 304 CG LEU X 19 81.245 1.228 11.550 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.561 0.752 10.131 1.00 1.00 C ATOM 306 CD2 LEU X 19 82.390 2.106 12.058 1.00 1.00 C ATOM 0 H LEU X 19 79.076 0.288 13.087 1.00 1.00 H new ATOM 0 HA LEU X 19 80.393 2.795 13.508 1.00 1.00 H new ATOM 0 HB2 LEU X 19 79.156 1.472 11.051 1.00 1.00 H new ATOM 0 HB3 LEU X 19 80.083 2.957 10.973 1.00 1.00 H new ATOM 0 HG LEU X 19 81.129 0.364 12.204 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.486 0.175 10.138 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.746 0.126 9.767 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.677 1.615 9.475 1.00 1.00 H new ATOM 0 HD21 LEU X 19 83.315 1.530 12.063 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.504 2.970 11.403 1.00 1.00 H new ATOM 0 HD23 LEU X 19 82.167 2.445 13.070 1.00 1.00 H new ATOM 318 N LYS X 20 77.186 2.910 12.772 1.00 1.00 N ATOM 319 CA LYS X 20 76.023 3.840 12.756 1.00 1.00 C ATOM 320 C LYS X 20 75.925 4.551 14.107 1.00 1.00 C ATOM 321 O LYS X 20 75.562 5.707 14.189 1.00 1.00 O ATOM 322 CB LYS X 20 74.740 3.047 12.501 1.00 1.00 C ATOM 323 CG LYS X 20 73.571 4.015 12.307 1.00 1.00 C ATOM 324 CD LYS X 20 72.300 3.226 11.983 1.00 1.00 C ATOM 325 CE LYS X 20 71.134 4.194 11.783 1.00 1.00 C ATOM 326 NZ LYS X 20 69.904 3.424 11.443 1.00 1.00 N ATOM 0 H LYS X 20 76.959 1.927 12.623 1.00 1.00 H new ATOM 0 HA LYS X 20 76.156 4.578 11.965 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.857 2.420 11.617 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.539 2.381 13.340 1.00 1.00 H new ATOM 0 HG2 LYS X 20 73.423 4.608 13.210 1.00 1.00 H new ATOM 0 HG3 LYS X 20 73.794 4.713 11.500 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.449 2.630 11.083 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.075 2.531 12.792 1.00 1.00 H new ATOM 0 HE2 LYS X 20 70.972 4.778 12.689 1.00 1.00 H new ATOM 0 HE3 LYS X 20 71.366 4.900 10.986 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 69.110 4.081 11.307 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 70.062 2.886 10.567 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 69.681 2.767 12.218 1.00 1.00 H new ATOM 340 N THR X 21 76.249 3.865 15.169 1.00 1.00 N ATOM 341 CA THR X 21 76.184 4.500 16.515 1.00 1.00 C ATOM 342 C THR X 21 77.233 5.610 16.603 1.00 1.00 C ATOM 343 O THR X 21 76.992 6.661 17.161 1.00 1.00 O ATOM 344 CB THR X 21 76.462 3.447 17.589 1.00 1.00 C ATOM 345 OG1 THR X 21 75.598 2.336 17.394 1.00 1.00 O ATOM 346 CG2 THR X 21 76.216 4.049 18.973 1.00 1.00 C ATOM 0 H THR X 21 76.556 2.892 15.162 1.00 1.00 H new ATOM 0 HA THR X 21 75.192 4.924 16.672 1.00 1.00 H new ATOM 0 HB THR X 21 77.499 3.120 17.517 1.00 1.00 H new ATOM 0 HG1 THR X 21 75.776 1.659 18.080 1.00 1.00 H new ATOM 0 HG21 THR X 21 76.414 3.297 19.737 1.00 1.00 H new ATOM 0 HG22 THR X 21 76.878 4.902 19.122 1.00 1.00 H new ATOM 0 HG23 THR X 21 75.179 4.378 19.048 1.00 1.00 H new ATOM 354 N ARG X 22 78.395 5.384 16.053 1.00 1.00 N ATOM 355 CA ARG X 22 79.458 6.425 16.114 1.00 1.00 C ATOM 356 C ARG X 22 79.047 7.617 15.248 1.00 1.00 C ATOM 357 O ARG X 22 79.560 8.709 15.395 1.00 1.00 O ATOM 358 CB ARG X 22 80.772 5.843 15.586 1.00 1.00 C ATOM 359 CG ARG X 22 81.269 4.758 16.544 1.00 1.00 C ATOM 360 CD ARG X 22 82.617 4.225 16.056 1.00 1.00 C ATOM 361 NE ARG X 22 83.064 3.114 16.943 1.00 1.00 N ATOM 362 CZ ARG X 22 83.710 3.377 18.046 1.00 1.00 C ATOM 363 NH1 ARG X 22 83.971 4.614 18.371 1.00 1.00 N ATOM 364 NH2 ARG X 22 84.098 2.403 18.824 1.00 1.00 N ATOM 0 H ARG X 22 78.653 4.526 15.566 1.00 1.00 H new ATOM 0 HA ARG X 22 79.593 6.750 17.146 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.623 5.424 14.591 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.520 6.631 15.492 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.369 5.165 17.550 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.543 3.946 16.599 1.00 1.00 H new ATOM 0 HD2 ARG X 22 82.530 3.871 15.029 1.00 1.00 H new ATOM 0 HD3 ARG X 22 83.358 5.025 16.056 1.00 1.00 H new ATOM 0 HE ARG X 22 82.865 2.147 16.688 1.00 1.00 H new ATOM 0 HH11 ARG X 22 83.670 5.375 17.763 1.00 1.00 H new ATOM 0 HH12 ARG X 22 84.476 4.819 19.233 1.00 1.00 H new ATOM 0 HH21 ARG X 22 83.896 1.436 18.570 1.00 1.00 H new ATOM 0 HH22 ARG X 22 84.603 2.609 19.686 1.00 1.00 H new ATOM 378 N GLY X 23 78.128 7.417 14.345 1.00 1.00 N ATOM 379 CA GLY X 23 77.680 8.543 13.481 1.00 1.00 C ATOM 380 C GLY X 23 78.057 8.248 12.029 1.00 1.00 C ATOM 381 O GLY X 23 78.642 9.068 11.349 1.00 1.00 O ATOM 0 H GLY X 23 77.669 6.524 14.168 1.00 1.00 H new ATOM 0 HA2 GLY X 23 76.602 8.677 13.569 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.144 9.474 13.807 1.00 1.00 H new ATOM 385 N VAL X 24 77.726 7.081 11.547 1.00 1.00 N ATOM 386 CA VAL X 24 78.057 6.734 10.136 1.00 1.00 C ATOM 387 C VAL X 24 76.776 6.361 9.390 1.00 1.00 C ATOM 388 O VAL X 24 75.993 5.553 9.848 1.00 1.00 O ATOM 389 CB VAL X 24 79.022 5.546 10.118 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.164 5.027 8.686 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.390 5.995 10.634 1.00 1.00 C ATOM 0 H VAL X 24 77.240 6.352 12.070 1.00 1.00 H new ATOM 0 HA VAL X 24 78.524 7.590 9.650 1.00 1.00 H new ATOM 0 HB VAL X 24 78.634 4.752 10.756 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.851 4.181 8.672 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.189 4.709 8.316 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.553 5.821 8.048 1.00 1.00 H new ATOM 0 HG21 VAL X 24 81.079 5.150 10.622 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.778 6.788 9.995 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.290 6.367 11.654 1.00 1.00 H new ATOM 401 N LYS X 25 76.553 6.944 8.244 1.00 1.00 N ATOM 402 CA LYS X 25 75.319 6.621 7.476 1.00 1.00 C ATOM 403 C LYS X 25 75.706 6.211 6.054 1.00 1.00 C ATOM 404 O LYS X 25 76.003 7.040 5.217 1.00 1.00 O ATOM 405 CB LYS X 25 74.414 7.853 7.424 1.00 1.00 C ATOM 406 CG LYS X 25 74.319 8.477 8.818 1.00 1.00 C ATOM 407 CD LYS X 25 73.451 7.592 9.715 1.00 1.00 C ATOM 408 CE LYS X 25 73.283 8.259 11.081 1.00 1.00 C ATOM 409 NZ LYS X 25 72.442 7.395 11.957 1.00 1.00 N ATOM 0 H LYS X 25 77.171 7.628 7.808 1.00 1.00 H new ATOM 0 HA LYS X 25 74.787 5.803 7.962 1.00 1.00 H new ATOM 0 HB2 LYS X 25 74.812 8.579 6.715 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.421 7.573 7.071 1.00 1.00 H new ATOM 0 HG2 LYS X 25 75.315 8.584 9.249 1.00 1.00 H new ATOM 0 HG3 LYS X 25 73.891 9.477 8.752 1.00 1.00 H new ATOM 0 HD2 LYS X 25 72.476 7.433 9.254 1.00 1.00 H new ATOM 0 HD3 LYS X 25 73.912 6.611 9.832 1.00 1.00 H new ATOM 0 HE2 LYS X 25 74.258 8.421 11.541 1.00 1.00 H new ATOM 0 HE3 LYS X 25 72.819 9.238 10.965 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 72.048 7.966 12.732 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 71.666 6.986 11.399 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 73.025 6.630 12.353 1.00 1.00 H new ATOM 423 N VAL X 26 75.707 4.935 5.775 1.00 1.00 N ATOM 424 CA VAL X 26 76.075 4.471 4.409 1.00 1.00 C ATOM 425 C VAL X 26 75.089 3.393 3.957 1.00 1.00 C ATOM 426 O VAL X 26 74.381 2.810 4.755 1.00 1.00 O ATOM 427 CB VAL X 26 77.491 3.893 4.431 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.489 4.996 4.786 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.568 2.780 5.478 1.00 1.00 C ATOM 0 H VAL X 26 75.469 4.195 6.435 1.00 1.00 H new ATOM 0 HA VAL X 26 76.038 5.311 3.716 1.00 1.00 H new ATOM 0 HB VAL X 26 77.734 3.488 3.448 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.498 4.583 4.801 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.433 5.790 4.042 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.248 5.402 5.768 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.576 2.366 5.496 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.325 3.187 6.460 1.00 1.00 H new ATOM 0 HG23 VAL X 26 76.857 1.993 5.225 1.00 1.00 H new ATOM 439 N LYS X 27 75.036 3.124 2.681 1.00 1.00 N ATOM 440 CA LYS X 27 74.099 2.083 2.176 1.00 1.00 C ATOM 441 C LYS X 27 74.662 0.695 2.484 1.00 1.00 C ATOM 442 O LYS X 27 75.858 0.481 2.457 1.00 1.00 O ATOM 443 CB LYS X 27 73.927 2.239 0.663 1.00 1.00 C ATOM 444 CG LYS X 27 73.222 3.564 0.361 1.00 1.00 C ATOM 445 CD LYS X 27 73.031 3.709 -1.150 1.00 1.00 C ATOM 446 CE LYS X 27 72.290 5.013 -1.447 1.00 1.00 C ATOM 447 NZ LYS X 27 72.136 5.172 -2.921 1.00 1.00 N ATOM 0 H LYS X 27 75.602 3.581 1.966 1.00 1.00 H new ATOM 0 HA LYS X 27 73.132 2.199 2.665 1.00 1.00 H new ATOM 0 HB2 LYS X 27 74.900 2.212 0.171 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.346 1.407 0.265 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.256 3.597 0.865 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.811 4.397 0.745 1.00 1.00 H new ATOM 0 HD2 LYS X 27 73.999 3.706 -1.652 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.467 2.861 -1.539 1.00 1.00 H new ATOM 0 HE2 LYS X 27 71.311 5.005 -0.967 1.00 1.00 H new ATOM 0 HE3 LYS X 27 72.840 5.859 -1.035 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 71.788 6.129 -3.132 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.056 5.028 -3.384 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.456 4.470 -3.277 1.00 1.00 H new ATOM 461 N TYR X 28 73.812 -0.250 2.779 1.00 1.00 N ATOM 462 CA TYR X 28 74.304 -1.621 3.084 1.00 1.00 C ATOM 463 C TYR X 28 75.065 -2.166 1.876 1.00 1.00 C ATOM 464 O TYR X 28 76.080 -2.822 2.011 1.00 1.00 O ATOM 465 CB TYR X 28 73.115 -2.534 3.397 1.00 1.00 C ATOM 466 CG TYR X 28 73.618 -3.895 3.811 1.00 1.00 C ATOM 467 CD1 TYR X 28 73.977 -4.134 5.144 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.723 -4.921 2.863 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.442 -5.398 5.527 1.00 1.00 C ATOM 470 CE2 TYR X 28 74.188 -6.184 3.248 1.00 1.00 C ATOM 471 CZ TYR X 28 74.548 -6.423 4.579 1.00 1.00 C ATOM 472 OH TYR X 28 75.006 -7.669 4.957 1.00 1.00 O ATOM 0 H TYR X 28 72.800 -0.131 2.822 1.00 1.00 H new ATOM 0 HA TYR X 28 74.969 -1.587 3.947 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.510 -2.101 4.194 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.472 -2.624 2.522 1.00 1.00 H new ATOM 0 HD1 TYR X 28 73.895 -3.344 5.876 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.445 -4.738 1.836 1.00 1.00 H new ATOM 0 HE1 TYR X 28 74.719 -5.582 6.554 1.00 1.00 H new ATOM 0 HE2 TYR X 28 74.269 -6.975 2.517 1.00 1.00 H new ATOM 0 HH TYR X 28 75.017 -8.264 4.178 1.00 1.00 H new ATOM 482 N ALA X 29 74.583 -1.899 0.692 1.00 1.00 N ATOM 483 CA ALA X 29 75.270 -2.411 -0.526 1.00 1.00 C ATOM 484 C ALA X 29 76.710 -1.894 -0.553 1.00 1.00 C ATOM 485 O ALA X 29 77.607 -2.555 -1.036 1.00 1.00 O ATOM 486 CB ALA X 29 74.531 -1.921 -1.774 1.00 1.00 C ATOM 0 H ALA X 29 73.743 -1.348 0.517 1.00 1.00 H new ATOM 0 HA ALA X 29 75.273 -3.501 -0.510 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.034 -2.296 -2.665 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.504 -2.287 -1.756 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.528 -0.831 -1.791 1.00 1.00 H new ATOM 492 N ASP X 30 76.936 -0.716 -0.040 1.00 1.00 N ATOM 493 CA ASP X 30 78.317 -0.156 -0.044 1.00 1.00 C ATOM 494 C ASP X 30 79.245 -1.087 0.739 1.00 1.00 C ATOM 495 O ASP X 30 80.376 -1.314 0.360 1.00 1.00 O ATOM 496 CB ASP X 30 78.309 1.227 0.612 1.00 1.00 C ATOM 497 CG ASP X 30 77.555 2.211 -0.283 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.310 1.872 -1.428 1.00 1.00 O ATOM 499 OD2 ASP X 30 77.235 3.288 0.193 1.00 1.00 O ATOM 0 H ASP X 30 76.225 -0.118 0.381 1.00 1.00 H new ATOM 0 HA ASP X 30 78.671 -0.068 -1.071 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.835 1.174 1.592 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.331 1.572 0.770 1.00 1.00 H new ATOM 504 N LEU X 31 78.775 -1.627 1.830 1.00 1.00 N ATOM 505 CA LEU X 31 79.628 -2.549 2.630 1.00 1.00 C ATOM 506 C LEU X 31 79.969 -3.782 1.791 1.00 1.00 C ATOM 507 O LEU X 31 81.096 -4.239 1.771 1.00 1.00 O ATOM 508 CB LEU X 31 78.871 -2.981 3.887 1.00 1.00 C ATOM 509 CG LEU X 31 79.062 -1.932 4.984 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.521 -1.933 5.445 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.703 -0.550 4.433 1.00 1.00 C ATOM 0 H LEU X 31 77.838 -1.469 2.201 1.00 1.00 H new ATOM 0 HA LEU X 31 80.547 -2.038 2.917 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.811 -3.099 3.663 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.235 -3.950 4.228 1.00 1.00 H new ATOM 0 HG LEU X 31 78.415 -2.168 5.829 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.656 -1.185 6.227 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.778 -2.917 5.836 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.169 -1.697 4.601 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.838 0.199 5.213 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.351 -0.316 3.588 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.664 -0.548 4.105 1.00 1.00 H new ATOM 523 N LEU X 32 79.006 -4.324 1.098 1.00 1.00 N ATOM 524 CA LEU X 32 79.277 -5.523 0.256 1.00 1.00 C ATOM 525 C LEU X 32 80.274 -5.157 -0.845 1.00 1.00 C ATOM 526 O LEU X 32 81.178 -5.908 -1.151 1.00 1.00 O ATOM 527 CB LEU X 32 77.970 -6.006 -0.377 1.00 1.00 C ATOM 528 CG LEU X 32 77.058 -6.581 0.708 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.704 -6.949 0.097 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.704 -7.834 1.304 1.00 1.00 C ATOM 0 H LEU X 32 78.043 -3.988 1.078 1.00 1.00 H new ATOM 0 HA LEU X 32 79.696 -6.317 0.875 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.472 -5.180 -0.884 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.178 -6.765 -1.132 1.00 1.00 H new ATOM 0 HG LEU X 32 76.913 -5.837 1.491 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.055 -7.359 0.871 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.243 -6.058 -0.329 1.00 1.00 H new ATOM 0 HD13 LEU X 32 75.848 -7.693 -0.687 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.055 -8.245 2.077 1.00 1.00 H new ATOM 0 HD22 LEU X 32 77.849 -8.577 0.520 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.669 -7.574 1.740 1.00 1.00 H new ATOM 542 N LYS X 33 80.118 -4.007 -1.442 1.00 1.00 N ATOM 543 CA LYS X 33 81.064 -3.594 -2.516 1.00 1.00 C ATOM 544 C LYS X 33 82.464 -3.424 -1.923 1.00 1.00 C ATOM 545 O LYS X 33 83.455 -3.771 -2.535 1.00 1.00 O ATOM 546 CB LYS X 33 80.600 -2.267 -3.122 1.00 1.00 C ATOM 547 CG LYS X 33 79.274 -2.475 -3.856 1.00 1.00 C ATOM 548 CD LYS X 33 78.771 -1.133 -4.393 1.00 1.00 C ATOM 549 CE LYS X 33 77.438 -1.338 -5.114 1.00 1.00 C ATOM 550 NZ LYS X 33 76.995 -0.049 -5.717 1.00 1.00 N ATOM 0 H LYS X 33 79.378 -3.337 -1.233 1.00 1.00 H new ATOM 0 HA LYS X 33 81.089 -4.358 -3.293 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.480 -1.520 -2.338 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.354 -1.887 -3.812 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.407 -3.180 -4.677 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.536 -2.908 -3.180 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.648 -0.425 -3.574 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.504 -0.705 -5.077 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.545 -2.097 -5.889 1.00 1.00 H new ATOM 0 HE3 LYS X 33 76.686 -1.702 -4.414 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.153 -0.212 -6.305 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.763 0.627 -4.961 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.759 0.339 -6.306 1.00 1.00 H new ATOM 564 N PHE X 34 82.555 -2.895 -0.733 1.00 1.00 N ATOM 565 CA PHE X 34 83.891 -2.701 -0.103 1.00 1.00 C ATOM 566 C PHE X 34 84.608 -4.049 -0.006 1.00 1.00 C ATOM 567 O PHE X 34 85.756 -4.182 -0.383 1.00 1.00 O ATOM 568 CB PHE X 34 83.715 -2.116 1.299 1.00 1.00 C ATOM 569 CG PHE X 34 85.048 -2.095 2.008 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.061 -1.235 1.569 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.271 -2.937 3.105 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.297 -1.215 2.226 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.507 -2.918 3.761 1.00 1.00 C ATOM 574 CZ PHE X 34 87.521 -2.057 3.322 1.00 1.00 C ATOM 0 H PHE X 34 81.761 -2.589 -0.170 1.00 1.00 H new ATOM 0 HA PHE X 34 84.483 -2.016 -0.710 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.310 -1.106 1.235 1.00 1.00 H new ATOM 0 HB3 PHE X 34 82.999 -2.712 1.866 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.889 -0.586 0.723 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.489 -3.601 3.444 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.078 -0.550 1.887 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.679 -3.568 4.606 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.475 -2.043 3.829 1.00 1.00 H new ATOM 584 N PHE X 35 83.942 -5.051 0.498 1.00 1.00 N ATOM 585 CA PHE X 35 84.583 -6.391 0.611 1.00 1.00 C ATOM 586 C PHE X 35 84.898 -6.922 -0.788 1.00 1.00 C ATOM 587 O PHE X 35 85.976 -7.423 -1.044 1.00 1.00 O ATOM 588 CB PHE X 35 83.629 -7.357 1.316 1.00 1.00 C ATOM 589 CG PHE X 35 83.799 -7.228 2.811 1.00 1.00 C ATOM 590 CD1 PHE X 35 83.322 -6.091 3.474 1.00 1.00 C ATOM 591 CD2 PHE X 35 84.433 -8.245 3.534 1.00 1.00 C ATOM 592 CE1 PHE X 35 83.480 -5.971 4.860 1.00 1.00 C ATOM 593 CE2 PHE X 35 84.591 -8.126 4.921 1.00 1.00 C ATOM 594 CZ PHE X 35 84.114 -6.988 5.583 1.00 1.00 C ATOM 0 H PHE X 35 82.981 -5.000 0.837 1.00 1.00 H new ATOM 0 HA PHE X 35 85.504 -6.305 1.187 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.599 -7.137 1.036 1.00 1.00 H new ATOM 0 HB3 PHE X 35 83.833 -8.381 1.003 1.00 1.00 H new ATOM 0 HD1 PHE X 35 82.832 -5.306 2.916 1.00 1.00 H new ATOM 0 HD2 PHE X 35 84.801 -9.122 3.022 1.00 1.00 H new ATOM 0 HE1 PHE X 35 83.113 -5.094 5.371 1.00 1.00 H new ATOM 0 HE2 PHE X 35 85.080 -8.911 5.479 1.00 1.00 H new ATOM 0 HZ PHE X 35 84.235 -6.895 6.652 1.00 1.00 H new ATOM 604 N ASP X 36 83.966 -6.821 -1.696 1.00 1.00 N ATOM 605 CA ASP X 36 84.213 -7.331 -3.074 1.00 1.00 C ATOM 606 C ASP X 36 85.430 -6.618 -3.667 1.00 1.00 C ATOM 607 O ASP X 36 86.276 -7.226 -4.289 1.00 1.00 O ATOM 608 CB ASP X 36 82.985 -7.061 -3.947 1.00 1.00 C ATOM 609 CG ASP X 36 81.968 -8.187 -3.763 1.00 1.00 C ATOM 610 OD1 ASP X 36 82.383 -9.333 -3.725 1.00 1.00 O ATOM 611 OD2 ASP X 36 80.790 -7.884 -3.663 1.00 1.00 O ATOM 0 H ASP X 36 83.046 -6.408 -1.543 1.00 1.00 H new ATOM 0 HA ASP X 36 84.401 -8.404 -3.038 1.00 1.00 H new ATOM 0 HB2 ASP X 36 82.537 -6.105 -3.676 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.279 -6.990 -4.994 1.00 1.00 H new ATOM 616 N PHE X 37 85.521 -5.329 -3.477 1.00 1.00 N ATOM 617 CA PHE X 37 86.677 -4.574 -4.038 1.00 1.00 C ATOM 618 C PHE X 37 87.964 -5.016 -3.339 1.00 1.00 C ATOM 619 O PHE X 37 88.982 -5.224 -3.967 1.00 1.00 O ATOM 620 CB PHE X 37 86.464 -3.074 -3.812 1.00 1.00 C ATOM 621 CG PHE X 37 87.560 -2.300 -4.504 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.467 -2.028 -5.875 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.667 -1.852 -3.775 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.483 -1.308 -6.516 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.683 -1.133 -4.416 1.00 1.00 C ATOM 626 CZ PHE X 37 89.591 -0.861 -5.786 1.00 1.00 C ATOM 0 H PHE X 37 84.846 -4.768 -2.958 1.00 1.00 H new ATOM 0 HA PHE X 37 86.757 -4.774 -5.106 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.491 -2.772 -4.199 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.466 -2.852 -2.745 1.00 1.00 H new ATOM 0 HD1 PHE X 37 86.612 -2.373 -6.437 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.738 -2.061 -2.718 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.412 -1.098 -7.573 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.538 -0.788 -3.853 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.375 -0.306 -6.280 1.00 1.00 H new ATOM 636 N VAL X 38 87.926 -5.160 -2.043 1.00 1.00 N ATOM 637 CA VAL X 38 89.148 -5.591 -1.305 1.00 1.00 C ATOM 638 C VAL X 38 89.591 -6.966 -1.808 1.00 1.00 C ATOM 639 O VAL X 38 90.755 -7.196 -2.068 1.00 1.00 O ATOM 640 CB VAL X 38 88.838 -5.670 0.190 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.009 -6.331 0.919 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.626 -4.258 0.742 1.00 1.00 C ATOM 0 H VAL X 38 87.103 -4.998 -1.463 1.00 1.00 H new ATOM 0 HA VAL X 38 89.947 -4.869 -1.473 1.00 1.00 H new ATOM 0 HB VAL X 38 87.934 -6.260 0.343 1.00 1.00 H new ATOM 0 HG11 VAL X 38 89.789 -6.388 1.985 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.161 -7.336 0.526 1.00 1.00 H new ATOM 0 HG13 VAL X 38 90.913 -5.741 0.766 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.405 -4.313 1.808 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.530 -3.668 0.589 1.00 1.00 H new ATOM 0 HG23 VAL X 38 87.792 -3.786 0.223 1.00 1.00 H new ATOM 652 N LYS X 39 88.672 -7.883 -1.948 1.00 1.00 N ATOM 653 CA LYS X 39 89.042 -9.235 -2.454 1.00 1.00 C ATOM 654 C LYS X 39 89.499 -9.126 -3.909 1.00 1.00 C ATOM 655 O LYS X 39 90.356 -9.860 -4.360 1.00 1.00 O ATOM 656 CB LYS X 39 87.826 -10.161 -2.370 1.00 1.00 C ATOM 657 CG LYS X 39 88.294 -11.618 -2.342 1.00 1.00 C ATOM 658 CD LYS X 39 87.097 -12.534 -2.081 1.00 1.00 C ATOM 659 CE LYS X 39 87.558 -13.992 -2.089 1.00 1.00 C ATOM 660 NZ LYS X 39 88.274 -14.279 -3.365 1.00 1.00 N ATOM 0 H LYS X 39 87.683 -7.754 -1.734 1.00 1.00 H new ATOM 0 HA LYS X 39 89.851 -9.642 -1.848 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.246 -9.937 -1.475 1.00 1.00 H new ATOM 0 HB3 LYS X 39 87.170 -9.995 -3.224 1.00 1.00 H new ATOM 0 HG2 LYS X 39 88.764 -11.878 -3.290 1.00 1.00 H new ATOM 0 HG3 LYS X 39 89.046 -11.755 -1.565 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.642 -12.291 -1.121 1.00 1.00 H new ATOM 0 HD3 LYS X 39 86.334 -12.379 -2.844 1.00 1.00 H new ATOM 0 HE2 LYS X 39 88.215 -14.182 -1.240 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.700 -14.656 -1.983 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 88.513 -15.290 -3.409 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 87.662 -14.033 -4.169 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 89.146 -13.714 -3.408 1.00 1.00 H new ATOM 674 N ASP X 40 88.933 -8.212 -4.649 1.00 1.00 N ATOM 675 CA ASP X 40 89.339 -8.045 -6.072 1.00 1.00 C ATOM 676 C ASP X 40 90.764 -7.490 -6.140 1.00 1.00 C ATOM 677 O ASP X 40 91.434 -7.598 -7.149 1.00 1.00 O ATOM 678 CB ASP X 40 88.381 -7.071 -6.762 1.00 1.00 C ATOM 679 CG ASP X 40 86.998 -7.712 -6.881 1.00 1.00 C ATOM 680 OD1 ASP X 40 86.893 -8.899 -6.618 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.068 -7.005 -7.232 1.00 1.00 O ATOM 0 H ASP X 40 88.206 -7.573 -4.328 1.00 1.00 H new ATOM 0 HA ASP X 40 89.304 -9.012 -6.574 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.316 -6.144 -6.192 1.00 1.00 H new ATOM 0 HB3 ASP X 40 88.759 -6.812 -7.751 1.00 1.00 H new ATOM 686 N THR X 41 91.235 -6.899 -5.077 1.00 1.00 N ATOM 687 CA THR X 41 92.592 -6.283 -5.107 1.00 1.00 C ATOM 688 C THR X 41 93.613 -7.324 -5.570 1.00 1.00 C ATOM 689 O THR X 41 94.263 -7.162 -6.584 1.00 1.00 O ATOM 690 CB THR X 41 92.963 -5.792 -3.706 1.00 1.00 C ATOM 691 OG1 THR X 41 91.851 -5.117 -3.133 1.00 1.00 O ATOM 692 CG2 THR X 41 94.153 -4.836 -3.795 1.00 1.00 C ATOM 0 H THR X 41 90.740 -6.816 -4.189 1.00 1.00 H new ATOM 0 HA THR X 41 92.593 -5.440 -5.798 1.00 1.00 H new ATOM 0 HB THR X 41 93.233 -6.644 -3.082 1.00 1.00 H new ATOM 0 HG1 THR X 41 91.517 -5.629 -2.367 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.415 -4.488 -2.796 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.005 -5.355 -4.234 1.00 1.00 H new ATOM 0 HG23 THR X 41 93.888 -3.982 -4.419 1.00 1.00 H new ATOM 700 N CYS X 42 93.760 -8.392 -4.836 1.00 1.00 N ATOM 701 CA CYS X 42 94.779 -9.416 -5.201 1.00 1.00 C ATOM 702 C CYS X 42 94.081 -10.643 -5.791 1.00 1.00 C ATOM 703 O CYS X 42 94.315 -11.016 -6.924 1.00 1.00 O ATOM 704 CB CYS X 42 95.563 -9.825 -3.953 1.00 1.00 C ATOM 705 SG CYS X 42 95.834 -11.614 -3.972 1.00 1.00 S ATOM 0 H CYS X 42 93.218 -8.600 -3.998 1.00 1.00 H new ATOM 0 HA CYS X 42 95.464 -8.999 -5.939 1.00 1.00 H new ATOM 0 HB2 CYS X 42 96.519 -9.302 -3.923 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.014 -9.539 -3.056 1.00 1.00 H new ATOM 0 HG CYS X 42 96.502 -11.963 -2.913 1.00 1.00 H new ATOM 711 N PRO X 43 93.230 -11.263 -5.022 1.00 1.00 N ATOM 712 CA PRO X 43 92.501 -12.492 -5.447 1.00 1.00 C ATOM 713 C PRO X 43 92.008 -12.402 -6.894 1.00 1.00 C ATOM 714 O PRO X 43 92.254 -13.278 -7.700 1.00 1.00 O ATOM 715 CB PRO X 43 91.319 -12.563 -4.480 1.00 1.00 C ATOM 716 CG PRO X 43 91.780 -11.873 -3.237 1.00 1.00 C ATOM 717 CD PRO X 43 92.867 -10.854 -3.656 1.00 1.00 C ATOM 0 HA PRO X 43 93.140 -13.374 -5.418 1.00 1.00 H new ATOM 0 HB2 PRO X 43 90.440 -12.073 -4.898 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.041 -13.597 -4.275 1.00 1.00 H new ATOM 0 HG2 PRO X 43 90.948 -11.368 -2.746 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.182 -12.593 -2.524 1.00 1.00 H new ATOM 0 HD2 PRO X 43 92.487 -9.833 -3.633 1.00 1.00 H new ATOM 0 HD3 PRO X 43 93.727 -10.890 -2.987 1.00 1.00 H new ATOM 725 N TRP X 44 91.316 -11.349 -7.231 1.00 1.00 N ATOM 726 CA TRP X 44 90.828 -11.190 -8.631 1.00 1.00 C ATOM 727 C TRP X 44 91.136 -9.774 -9.123 1.00 1.00 C ATOM 728 O TRP X 44 92.108 -9.164 -8.723 1.00 1.00 O ATOM 729 CB TRP X 44 89.316 -11.426 -8.671 1.00 1.00 C ATOM 730 CG TRP X 44 89.002 -12.738 -8.028 1.00 1.00 C ATOM 731 CD1 TRP X 44 89.644 -13.902 -8.281 1.00 1.00 C ATOM 732 CD2 TRP X 44 87.982 -13.040 -7.032 1.00 1.00 C ATOM 733 NE1 TRP X 44 89.082 -14.899 -7.504 1.00 1.00 N ATOM 734 CE2 TRP X 44 88.054 -14.418 -6.717 1.00 1.00 C ATOM 735 CE3 TRP X 44 87.011 -12.260 -6.378 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.193 -15.001 -5.786 1.00 1.00 C ATOM 737 CZ3 TRP X 44 86.143 -12.843 -5.442 1.00 1.00 C ATOM 738 CH2 TRP X 44 86.233 -14.211 -5.146 1.00 1.00 C ATOM 0 H TRP X 44 91.067 -10.590 -6.597 1.00 1.00 H new ATOM 0 HA TRP X 44 91.328 -11.914 -9.275 1.00 1.00 H new ATOM 0 HB2 TRP X 44 88.797 -10.620 -8.152 1.00 1.00 H new ATOM 0 HB3 TRP X 44 88.963 -11.420 -9.702 1.00 1.00 H new ATOM 0 HD1 TRP X 44 90.461 -14.031 -8.975 1.00 1.00 H new ATOM 0 HE1 TRP X 44 89.390 -15.872 -7.511 1.00 1.00 H new ATOM 0 HE3 TRP X 44 86.933 -11.205 -6.598 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 87.268 -16.055 -5.561 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 85.401 -12.234 -4.946 1.00 1.00 H new ATOM 0 HH2 TRP X 44 85.562 -14.654 -4.425 1.00 1.00 H new ATOM 749 N PHE X 45 90.317 -9.248 -9.991 1.00 1.00 N ATOM 750 CA PHE X 45 90.552 -7.867 -10.505 1.00 1.00 C ATOM 751 C PHE X 45 89.522 -7.532 -11.587 1.00 1.00 C ATOM 752 O PHE X 45 88.956 -6.457 -11.603 1.00 1.00 O ATOM 753 CB PHE X 45 91.959 -7.779 -11.097 1.00 1.00 C ATOM 754 CG PHE X 45 92.742 -6.700 -10.385 1.00 1.00 C ATOM 755 CD1 PHE X 45 92.289 -5.375 -10.409 1.00 1.00 C ATOM 756 CD2 PHE X 45 93.919 -7.027 -9.702 1.00 1.00 C ATOM 757 CE1 PHE X 45 93.016 -4.377 -9.749 1.00 1.00 C ATOM 758 CE2 PHE X 45 94.645 -6.027 -9.043 1.00 1.00 C ATOM 759 CZ PHE X 45 94.193 -4.702 -9.066 1.00 1.00 C ATOM 0 H PHE X 45 89.493 -9.715 -10.368 1.00 1.00 H new ATOM 0 HA PHE X 45 90.454 -7.156 -9.684 1.00 1.00 H new ATOM 0 HB2 PHE X 45 92.467 -8.738 -10.996 1.00 1.00 H new ATOM 0 HB3 PHE X 45 91.903 -7.558 -12.163 1.00 1.00 H new ATOM 0 HD1 PHE X 45 91.380 -5.123 -10.936 1.00 1.00 H new ATOM 0 HD2 PHE X 45 94.267 -8.049 -9.683 1.00 1.00 H new ATOM 0 HE1 PHE X 45 92.668 -3.355 -9.767 1.00 1.00 H new ATOM 0 HE2 PHE X 45 95.554 -6.278 -8.517 1.00 1.00 H new ATOM 0 HZ PHE X 45 94.753 -3.931 -8.557 1.00 1.00 H new ATOM 769 N PRO X 46 89.289 -8.446 -12.489 1.00 1.00 N ATOM 770 CA PRO X 46 88.333 -8.241 -13.618 1.00 1.00 C ATOM 771 C PRO X 46 86.927 -7.872 -13.132 1.00 1.00 C ATOM 772 O PRO X 46 86.205 -7.148 -13.787 1.00 1.00 O ATOM 773 CB PRO X 46 88.309 -9.592 -14.341 1.00 1.00 C ATOM 774 CG PRO X 46 89.559 -10.297 -13.927 1.00 1.00 C ATOM 775 CD PRO X 46 89.910 -9.776 -12.531 1.00 1.00 C ATOM 0 HA PRO X 46 88.644 -7.414 -14.257 1.00 1.00 H new ATOM 0 HB2 PRO X 46 87.426 -10.168 -14.065 1.00 1.00 H new ATOM 0 HB3 PRO X 46 88.276 -9.457 -15.422 1.00 1.00 H new ATOM 0 HG2 PRO X 46 89.409 -11.376 -13.912 1.00 1.00 H new ATOM 0 HG3 PRO X 46 90.368 -10.098 -14.630 1.00 1.00 H new ATOM 0 HD2 PRO X 46 89.516 -10.427 -11.750 1.00 1.00 H new ATOM 0 HD3 PRO X 46 90.989 -9.719 -12.384 1.00 1.00 H new ATOM 783 N GLN X 47 86.535 -8.365 -11.990 1.00 1.00 N ATOM 784 CA GLN X 47 85.181 -8.037 -11.460 1.00 1.00 C ATOM 785 C GLN X 47 85.107 -6.544 -11.124 1.00 1.00 C ATOM 786 O GLN X 47 85.914 -6.027 -10.376 1.00 1.00 O ATOM 787 CB GLN X 47 84.915 -8.859 -10.199 1.00 1.00 C ATOM 788 CG GLN X 47 84.823 -10.341 -10.566 1.00 1.00 C ATOM 789 CD GLN X 47 84.639 -11.172 -9.294 1.00 1.00 C ATOM 790 OE1 GLN X 47 85.471 -11.142 -8.410 1.00 1.00 O ATOM 791 NE2 GLN X 47 83.576 -11.916 -9.166 1.00 1.00 N ATOM 0 H GLN X 47 87.094 -8.981 -11.400 1.00 1.00 H new ATOM 0 HA GLN X 47 84.430 -8.274 -12.214 1.00 1.00 H new ATOM 0 HB2 GLN X 47 85.714 -8.702 -9.474 1.00 1.00 H new ATOM 0 HB3 GLN X 47 83.988 -8.532 -9.728 1.00 1.00 H new ATOM 0 HG2 GLN X 47 83.987 -10.507 -11.246 1.00 1.00 H new ATOM 0 HG3 GLN X 47 85.726 -10.654 -11.090 1.00 1.00 H new ATOM 0 HE21 GLN X 47 82.878 -11.940 -9.909 1.00 1.00 H new ATOM 0 HE22 GLN X 47 83.442 -12.474 -8.323 1.00 1.00 H new ATOM 800 N GLU X 48 84.149 -5.849 -11.673 1.00 1.00 N ATOM 801 CA GLU X 48 84.026 -4.391 -11.386 1.00 1.00 C ATOM 802 C GLU X 48 82.577 -4.052 -11.033 1.00 1.00 C ATOM 803 O GLU X 48 81.662 -4.787 -11.351 1.00 1.00 O ATOM 804 CB GLU X 48 84.450 -3.590 -12.619 1.00 1.00 C ATOM 805 CG GLU X 48 85.951 -3.765 -12.851 1.00 1.00 C ATOM 806 CD GLU X 48 86.365 -3.006 -14.113 1.00 1.00 C ATOM 807 OE1 GLU X 48 85.489 -2.472 -14.773 1.00 1.00 O ATOM 808 OE2 GLU X 48 87.551 -2.973 -14.399 1.00 1.00 O ATOM 0 H GLU X 48 83.446 -6.227 -12.308 1.00 1.00 H new ATOM 0 HA GLU X 48 84.670 -4.136 -10.545 1.00 1.00 H new ATOM 0 HB2 GLU X 48 83.894 -3.928 -13.494 1.00 1.00 H new ATOM 0 HB3 GLU X 48 84.214 -2.535 -12.479 1.00 1.00 H new ATOM 0 HG2 GLU X 48 86.508 -3.393 -11.991 1.00 1.00 H new ATOM 0 HG3 GLU X 48 86.193 -4.823 -12.954 1.00 1.00 H new ATOM 815 N GLY X 49 82.360 -2.948 -10.371 1.00 1.00 N ATOM 816 CA GLY X 49 80.969 -2.568 -9.990 1.00 1.00 C ATOM 817 C GLY X 49 80.908 -1.071 -9.679 1.00 1.00 C ATOM 818 O GLY X 49 81.901 -0.459 -9.339 1.00 1.00 O ATOM 0 H GLY X 49 83.085 -2.293 -10.078 1.00 1.00 H new ATOM 0 HA2 GLY X 49 80.281 -2.809 -10.801 1.00 1.00 H new ATOM 0 HA3 GLY X 49 80.650 -3.143 -9.120 1.00 1.00 H new ATOM 822 N THR X 50 79.752 -0.476 -9.789 1.00 1.00 N ATOM 823 CA THR X 50 79.635 0.977 -9.482 1.00 1.00 C ATOM 824 C THR X 50 79.947 1.210 -8.003 1.00 1.00 C ATOM 825 O THR X 50 79.595 0.417 -7.153 1.00 1.00 O ATOM 826 CB THR X 50 78.211 1.452 -9.785 1.00 1.00 C ATOM 827 OG1 THR X 50 77.832 1.008 -11.081 1.00 1.00 O ATOM 828 CG2 THR X 50 78.158 2.980 -9.732 1.00 1.00 C ATOM 0 H THR X 50 78.886 -0.932 -10.077 1.00 1.00 H new ATOM 0 HA THR X 50 80.341 1.536 -10.096 1.00 1.00 H new ATOM 0 HB THR X 50 77.525 1.041 -9.044 1.00 1.00 H new ATOM 0 HG1 THR X 50 76.920 1.309 -11.276 1.00 1.00 H new ATOM 0 HG21 THR X 50 77.144 3.317 -9.948 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.449 3.320 -8.738 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.843 3.394 -10.472 1.00 1.00 H new ATOM 836 N ILE X 51 80.603 2.292 -7.687 1.00 1.00 N ATOM 837 CA ILE X 51 80.936 2.574 -6.262 1.00 1.00 C ATOM 838 C ILE X 51 80.442 3.973 -5.888 1.00 1.00 C ATOM 839 O ILE X 51 80.652 4.930 -6.608 1.00 1.00 O ATOM 840 CB ILE X 51 82.452 2.499 -6.072 1.00 1.00 C ATOM 841 CG1 ILE X 51 82.764 1.962 -4.673 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.056 3.896 -6.226 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.032 2.804 -3.627 1.00 1.00 C ATOM 0 H ILE X 51 80.923 2.994 -8.354 1.00 1.00 H new ATOM 0 HA ILE X 51 80.451 1.837 -5.622 1.00 1.00 H new ATOM 0 HB ILE X 51 82.879 1.833 -6.822 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.457 0.919 -4.596 1.00 1.00 H new ATOM 0 HG13 ILE X 51 83.838 1.992 -4.492 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.136 3.842 -6.091 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.834 4.281 -7.221 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.629 4.562 -5.476 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.255 2.421 -2.631 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.361 3.841 -3.699 1.00 1.00 H new ATOM 0 HD13 ILE X 51 80.958 2.751 -3.804 1.00 1.00 H new ATOM 855 N ASP X 52 79.786 4.099 -4.766 1.00 1.00 N ATOM 856 CA ASP X 52 79.268 5.434 -4.348 1.00 1.00 C ATOM 857 C ASP X 52 80.432 6.327 -3.911 1.00 1.00 C ATOM 858 O ASP X 52 81.316 5.901 -3.195 1.00 1.00 O ATOM 859 CB ASP X 52 78.295 5.259 -3.182 1.00 1.00 C ATOM 860 CG ASP X 52 76.949 4.756 -3.709 1.00 1.00 C ATOM 861 OD1 ASP X 52 76.796 4.690 -4.918 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.096 4.444 -2.895 1.00 1.00 O ATOM 0 H ASP X 52 79.586 3.335 -4.120 1.00 1.00 H new ATOM 0 HA ASP X 52 78.753 5.900 -5.188 1.00 1.00 H new ATOM 0 HB2 ASP X 52 78.701 4.552 -2.459 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.162 6.207 -2.661 1.00 1.00 H new ATOM 867 N ILE X 53 80.442 7.561 -4.335 1.00 1.00 N ATOM 868 CA ILE X 53 81.546 8.478 -3.932 1.00 1.00 C ATOM 869 C ILE X 53 81.478 8.724 -2.423 1.00 1.00 C ATOM 870 O ILE X 53 82.457 9.081 -1.799 1.00 1.00 O ATOM 871 CB ILE X 53 81.401 9.808 -4.673 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.289 9.545 -6.177 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.628 10.682 -4.402 1.00 1.00 C ATOM 874 CD1 ILE X 53 81.105 10.873 -6.915 1.00 1.00 C ATOM 0 H ILE X 53 79.734 7.974 -4.943 1.00 1.00 H new ATOM 0 HA ILE X 53 82.505 8.025 -4.184 1.00 1.00 H new ATOM 0 HB ILE X 53 80.505 10.320 -4.324 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.185 9.038 -6.536 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.446 8.884 -6.380 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.524 11.630 -4.931 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.711 10.871 -3.332 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.524 10.169 -4.751 1.00 1.00 H new ATOM 0 HD11 ILE X 53 81.025 10.686 -7.986 1.00 1.00 H new ATOM 0 HD12 ILE X 53 80.196 11.362 -6.563 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.962 11.518 -6.722 1.00 1.00 H new ATOM 886 N LYS X 54 80.330 8.538 -1.831 1.00 1.00 N ATOM 887 CA LYS X 54 80.204 8.760 -0.364 1.00 1.00 C ATOM 888 C LYS X 54 81.080 7.748 0.380 1.00 1.00 C ATOM 889 O LYS X 54 81.741 8.076 1.345 1.00 1.00 O ATOM 890 CB LYS X 54 78.745 8.578 0.058 1.00 1.00 C ATOM 891 CG LYS X 54 77.896 9.700 -0.542 1.00 1.00 C ATOM 892 CD LYS X 54 76.446 9.546 -0.078 1.00 1.00 C ATOM 893 CE LYS X 54 75.752 8.472 -0.918 1.00 1.00 C ATOM 894 NZ LYS X 54 74.279 8.553 -0.711 1.00 1.00 N ATOM 0 H LYS X 54 79.474 8.242 -2.300 1.00 1.00 H new ATOM 0 HA LYS X 54 80.528 9.772 -0.121 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.376 7.609 -0.278 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.666 8.589 1.145 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.286 10.670 -0.235 1.00 1.00 H new ATOM 0 HG3 LYS X 54 77.946 9.666 -1.630 1.00 1.00 H new ATOM 0 HD2 LYS X 54 76.418 9.272 0.977 1.00 1.00 H new ATOM 0 HD3 LYS X 54 75.919 10.495 -0.175 1.00 1.00 H new ATOM 0 HE2 LYS X 54 75.990 8.610 -1.973 1.00 1.00 H new ATOM 0 HE3 LYS X 54 76.116 7.484 -0.636 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 73.880 7.593 -0.673 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 74.081 9.045 0.183 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 73.846 9.077 -1.498 1.00 1.00 H new ATOM 908 N PHE X 55 81.094 6.521 -0.065 1.00 1.00 N ATOM 909 CA PHE X 55 81.915 5.487 0.625 1.00 1.00 C ATOM 910 C PHE X 55 83.367 5.600 0.158 1.00 1.00 C ATOM 911 O PHE X 55 84.272 5.092 0.791 1.00 1.00 O ATOM 912 CB PHE X 55 81.372 4.095 0.289 1.00 1.00 C ATOM 913 CG PHE X 55 81.767 3.122 1.373 1.00 1.00 C ATOM 914 CD1 PHE X 55 80.932 2.930 2.481 1.00 1.00 C ATOM 915 CD2 PHE X 55 82.968 2.409 1.271 1.00 1.00 C ATOM 916 CE1 PHE X 55 81.297 2.026 3.485 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.333 1.505 2.275 1.00 1.00 C ATOM 918 CZ PHE X 55 82.497 1.314 3.383 1.00 1.00 C ATOM 0 H PHE X 55 80.572 6.190 -0.877 1.00 1.00 H new ATOM 0 HA PHE X 55 81.867 5.641 1.703 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.287 4.130 0.196 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.764 3.763 -0.672 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.006 3.480 2.561 1.00 1.00 H new ATOM 0 HD2 PHE X 55 83.613 2.557 0.417 1.00 1.00 H new ATOM 0 HE1 PHE X 55 80.652 1.878 4.339 1.00 1.00 H new ATOM 0 HE2 PHE X 55 84.259 0.955 2.196 1.00 1.00 H new ATOM 0 HZ PHE X 55 82.779 0.617 4.158 1.00 1.00 H new ATOM 928 N TRP X 56 83.602 6.260 -0.943 1.00 1.00 N ATOM 929 CA TRP X 56 85.001 6.397 -1.440 1.00 1.00 C ATOM 930 C TRP X 56 85.861 7.079 -0.375 1.00 1.00 C ATOM 931 O TRP X 56 87.015 6.745 -0.188 1.00 1.00 O ATOM 932 CB TRP X 56 85.006 7.241 -2.716 1.00 1.00 C ATOM 933 CG TRP X 56 86.401 7.690 -3.009 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.489 6.887 -3.025 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.877 9.030 -3.329 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.602 7.647 -3.334 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.276 8.974 -3.530 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.235 10.275 -3.462 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.013 10.114 -3.852 1.00 1.00 C ATOM 940 CZ3 TRP X 56 86.975 11.423 -3.787 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.361 11.343 -3.981 1.00 1.00 C ATOM 0 H TRP X 56 82.889 6.709 -1.518 1.00 1.00 H new ATOM 0 HA TRP X 56 85.408 5.409 -1.654 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.616 6.659 -3.551 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.352 8.105 -2.596 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.489 5.825 -2.828 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.548 7.273 -3.408 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.168 10.348 -3.313 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.081 10.047 -4.001 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.473 12.374 -3.888 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.924 12.230 -4.230 1.00 1.00 H new ATOM 952 N ARG X 57 85.313 8.033 0.326 1.00 1.00 N ATOM 953 CA ARG X 57 86.104 8.732 1.377 1.00 1.00 C ATOM 954 C ARG X 57 86.583 7.717 2.416 1.00 1.00 C ATOM 955 O ARG X 57 87.718 7.745 2.848 1.00 1.00 O ATOM 956 CB ARG X 57 85.228 9.787 2.059 1.00 1.00 C ATOM 957 CG ARG X 57 84.566 10.667 0.996 1.00 1.00 C ATOM 958 CD ARG X 57 85.636 11.485 0.271 1.00 1.00 C ATOM 959 NE ARG X 57 84.986 12.582 -0.500 1.00 1.00 N ATOM 960 CZ ARG X 57 85.700 13.339 -1.287 1.00 1.00 C ATOM 961 NH1 ARG X 57 86.984 13.132 -1.404 1.00 1.00 N ATOM 962 NH2 ARG X 57 85.131 14.301 -1.959 1.00 1.00 N ATOM 0 H ARG X 57 84.353 8.358 0.216 1.00 1.00 H new ATOM 0 HA ARG X 57 86.966 9.217 0.919 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.467 9.303 2.671 1.00 1.00 H new ATOM 0 HB3 ARG X 57 85.832 10.399 2.728 1.00 1.00 H new ATOM 0 HG2 ARG X 57 84.022 10.047 0.283 1.00 1.00 H new ATOM 0 HG3 ARG X 57 83.838 11.332 1.461 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.341 11.901 0.991 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.207 10.843 -0.400 1.00 1.00 H new ATOM 0 HE ARG X 57 83.982 12.741 -0.412 1.00 1.00 H new ATOM 0 HH11 ARG X 57 87.429 12.378 -0.880 1.00 1.00 H new ATOM 0 HH12 ARG X 57 87.542 13.724 -2.019 1.00 1.00 H new ATOM 0 HH21 ARG X 57 84.128 14.462 -1.869 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.689 14.893 -2.574 1.00 1.00 H new ATOM 976 N ARG X 58 85.727 6.819 2.821 1.00 1.00 N ATOM 977 CA ARG X 58 86.137 5.805 3.832 1.00 1.00 C ATOM 978 C ARG X 58 87.183 4.870 3.223 1.00 1.00 C ATOM 979 O ARG X 58 88.110 4.445 3.882 1.00 1.00 O ATOM 980 CB ARG X 58 84.914 4.992 4.263 1.00 1.00 C ATOM 981 CG ARG X 58 83.960 5.885 5.058 1.00 1.00 C ATOM 982 CD ARG X 58 82.704 5.092 5.426 1.00 1.00 C ATOM 983 NE ARG X 58 83.067 4.001 6.375 1.00 1.00 N ATOM 984 CZ ARG X 58 83.226 4.267 7.644 1.00 1.00 C ATOM 985 NH1 ARG X 58 83.069 5.486 8.080 1.00 1.00 N ATOM 986 NH2 ARG X 58 83.543 3.311 8.474 1.00 1.00 N ATOM 0 H ARG X 58 84.763 6.744 2.496 1.00 1.00 H new ATOM 0 HA ARG X 58 86.563 6.309 4.700 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.406 4.588 3.387 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.225 4.142 4.871 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.452 6.247 5.961 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.690 6.761 4.469 1.00 1.00 H new ATOM 0 HD2 ARG X 58 81.964 5.752 5.879 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.250 4.672 4.529 1.00 1.00 H new ATOM 0 HE ARG X 58 83.191 3.048 6.034 1.00 1.00 H new ATOM 0 HH11 ARG X 58 82.822 6.232 7.430 1.00 1.00 H new ATOM 0 HH12 ARG X 58 83.193 5.693 9.071 1.00 1.00 H new ATOM 0 HH21 ARG X 58 83.666 2.358 8.131 1.00 1.00 H new ATOM 0 HH22 ARG X 58 83.668 3.517 9.465 1.00 1.00 H new ATOM 1000 N VAL X 59 87.041 4.545 1.967 1.00 1.00 N ATOM 1001 CA VAL X 59 88.018 3.626 1.320 1.00 1.00 C ATOM 1002 C VAL X 59 89.399 4.283 1.307 1.00 1.00 C ATOM 1003 O VAL X 59 90.399 3.654 1.590 1.00 1.00 O ATOM 1004 CB VAL X 59 87.576 3.339 -0.116 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.727 2.691 -0.887 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.376 2.388 -0.099 1.00 1.00 C ATOM 0 H VAL X 59 86.290 4.877 1.361 1.00 1.00 H new ATOM 0 HA VAL X 59 88.064 2.691 1.878 1.00 1.00 H new ATOM 0 HB VAL X 59 87.295 4.273 -0.602 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.410 2.487 -1.910 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.582 3.367 -0.900 1.00 1.00 H new ATOM 0 HG13 VAL X 59 89.010 1.757 -0.402 1.00 1.00 H new ATOM 0 HG21 VAL X 59 86.060 2.183 -1.122 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.658 1.455 0.388 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.554 2.849 0.449 1.00 1.00 H new ATOM 1016 N GLY X 60 89.462 5.545 0.983 1.00 1.00 N ATOM 1017 CA GLY X 60 90.779 6.243 0.949 1.00 1.00 C ATOM 1018 C GLY X 60 91.428 6.177 2.333 1.00 1.00 C ATOM 1019 O GLY X 60 92.591 5.855 2.468 1.00 1.00 O ATOM 0 H GLY X 60 88.658 6.124 0.740 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.430 5.778 0.208 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.644 7.282 0.648 1.00 1.00 H new ATOM 1023 N ASP X 61 90.686 6.482 3.362 1.00 1.00 N ATOM 1024 CA ASP X 61 91.265 6.444 4.734 1.00 1.00 C ATOM 1025 C ASP X 61 91.575 4.995 5.116 1.00 1.00 C ATOM 1026 O ASP X 61 92.590 4.706 5.717 1.00 1.00 O ATOM 1027 CB ASP X 61 90.260 7.029 5.728 1.00 1.00 C ATOM 1028 CG ASP X 61 90.394 8.554 5.752 1.00 1.00 C ATOM 1029 OD1 ASP X 61 91.316 9.057 5.133 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.570 9.190 6.388 1.00 1.00 O ATOM 0 H ASP X 61 89.705 6.756 3.312 1.00 1.00 H new ATOM 0 HA ASP X 61 92.183 7.031 4.758 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.246 6.747 5.445 1.00 1.00 H new ATOM 0 HB3 ASP X 61 90.438 6.622 6.723 1.00 1.00 H new ATOM 1035 N CYS X 62 90.709 4.082 4.771 1.00 1.00 N ATOM 1036 CA CYS X 62 90.949 2.656 5.127 1.00 1.00 C ATOM 1037 C CYS X 62 92.179 2.143 4.374 1.00 1.00 C ATOM 1038 O CYS X 62 93.077 1.568 4.955 1.00 1.00 O ATOM 1039 CB CYS X 62 89.728 1.821 4.736 1.00 1.00 C ATOM 1040 SG CYS X 62 88.541 1.813 6.101 1.00 1.00 S ATOM 0 H CYS X 62 89.846 4.262 4.258 1.00 1.00 H new ATOM 0 HA CYS X 62 91.118 2.573 6.201 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.265 2.233 3.839 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.032 0.802 4.498 1.00 1.00 H new ATOM 0 HG CYS X 62 87.502 1.106 5.769 1.00 1.00 H new ATOM 1046 N PHE X 63 92.227 2.348 3.086 1.00 1.00 N ATOM 1047 CA PHE X 63 93.396 1.865 2.299 1.00 1.00 C ATOM 1048 C PHE X 63 94.674 2.518 2.829 1.00 1.00 C ATOM 1049 O PHE X 63 95.692 1.875 2.988 1.00 1.00 O ATOM 1050 CB PHE X 63 93.207 2.234 0.826 1.00 1.00 C ATOM 1051 CG PHE X 63 92.540 1.090 0.101 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.384 0.506 0.631 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.077 0.615 -1.101 1.00 1.00 C ATOM 1054 CE1 PHE X 63 90.765 -0.555 -0.041 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.458 -0.447 -1.773 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.302 -1.031 -1.242 1.00 1.00 C ATOM 0 H PHE X 63 91.508 2.829 2.545 1.00 1.00 H new ATOM 0 HA PHE X 63 93.476 0.782 2.395 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.600 3.135 0.741 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.172 2.455 0.369 1.00 1.00 H new ATOM 0 HD1 PHE X 63 90.969 0.874 1.558 1.00 1.00 H new ATOM 0 HD2 PHE X 63 93.968 1.067 -1.510 1.00 1.00 H new ATOM 0 HE1 PHE X 63 89.873 -1.006 0.368 1.00 1.00 H new ATOM 0 HE2 PHE X 63 92.872 -0.815 -2.700 1.00 1.00 H new ATOM 0 HZ PHE X 63 90.824 -1.850 -1.760 1.00 1.00 H new ATOM 1066 N GLN X 64 94.629 3.793 3.105 1.00 1.00 N ATOM 1067 CA GLN X 64 95.839 4.485 3.632 1.00 1.00 C ATOM 1068 C GLN X 64 96.235 3.870 4.975 1.00 1.00 C ATOM 1069 O GLN X 64 97.400 3.790 5.312 1.00 1.00 O ATOM 1070 CB GLN X 64 95.533 5.972 3.824 1.00 1.00 C ATOM 1071 CG GLN X 64 96.806 6.704 4.255 1.00 1.00 C ATOM 1072 CD GLN X 64 96.480 8.173 4.536 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.460 8.481 5.117 1.00 1.00 O ATOM 1074 NE2 GLN X 64 97.313 9.099 4.144 1.00 1.00 N ATOM 0 H GLN X 64 93.807 4.385 2.988 1.00 1.00 H new ATOM 0 HA GLN X 64 96.660 4.370 2.924 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.152 6.398 2.896 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.755 6.100 4.577 1.00 1.00 H new ATOM 0 HG2 GLN X 64 97.223 6.236 5.147 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.562 6.631 3.473 1.00 1.00 H new ATOM 0 HE21 GLN X 64 98.170 8.840 3.656 1.00 1.00 H new ATOM 0 HE22 GLN X 64 97.106 10.081 4.326 1.00 1.00 H new ATOM 1083 N ASP X 65 95.276 3.434 5.745 1.00 1.00 N ATOM 1084 CA ASP X 65 95.604 2.817 7.060 1.00 1.00 C ATOM 1085 C ASP X 65 96.383 1.521 6.831 1.00 1.00 C ATOM 1086 O ASP X 65 97.355 1.241 7.504 1.00 1.00 O ATOM 1087 CB ASP X 65 94.308 2.508 7.814 1.00 1.00 C ATOM 1088 CG ASP X 65 94.637 1.778 9.117 1.00 1.00 C ATOM 1089 OD1 ASP X 65 95.792 1.805 9.513 1.00 1.00 O ATOM 1090 OD2 ASP X 65 93.730 1.206 9.698 1.00 1.00 O ATOM 0 H ASP X 65 94.282 3.478 5.521 1.00 1.00 H new ATOM 0 HA ASP X 65 96.210 3.507 7.647 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.770 3.432 8.028 1.00 1.00 H new ATOM 0 HB3 ASP X 65 93.653 1.894 7.196 1.00 1.00 H new ATOM 1095 N TYR X 66 95.965 0.726 5.883 1.00 1.00 N ATOM 1096 CA TYR X 66 96.676 -0.555 5.616 1.00 1.00 C ATOM 1097 C TYR X 66 98.046 -0.260 5.004 1.00 1.00 C ATOM 1098 O TYR X 66 99.011 -0.954 5.256 1.00 1.00 O ATOM 1099 CB TYR X 66 95.854 -1.401 4.640 1.00 1.00 C ATOM 1100 CG TYR X 66 94.614 -1.911 5.335 1.00 1.00 C ATOM 1101 CD1 TYR X 66 94.724 -2.880 6.340 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.356 -1.416 4.974 1.00 1.00 C ATOM 1103 CE1 TYR X 66 93.573 -3.353 6.984 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.206 -1.889 5.617 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.314 -2.858 6.622 1.00 1.00 C ATOM 1106 OH TYR X 66 91.180 -3.324 7.256 1.00 1.00 O ATOM 0 H TYR X 66 95.161 0.909 5.282 1.00 1.00 H new ATOM 0 HA TYR X 66 96.805 -1.100 6.551 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.577 -0.805 3.770 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.450 -2.238 4.277 1.00 1.00 H new ATOM 0 HD1 TYR X 66 95.695 -3.262 6.618 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.272 -0.669 4.199 1.00 1.00 H new ATOM 0 HE1 TYR X 66 93.657 -4.100 7.760 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.235 -1.506 5.338 1.00 1.00 H new ATOM 0 HH TYR X 66 90.391 -2.876 6.886 1.00 1.00 H new ATOM 1116 N TYR X 67 98.140 0.765 4.202 1.00 1.00 N ATOM 1117 CA TYR X 67 99.447 1.097 3.570 1.00 1.00 C ATOM 1118 C TYR X 67 100.479 1.389 4.660 1.00 1.00 C ATOM 1119 O TYR X 67 101.535 0.790 4.705 1.00 1.00 O ATOM 1120 CB TYR X 67 99.283 2.329 2.679 1.00 1.00 C ATOM 1121 CG TYR X 67 100.634 2.961 2.442 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.556 2.344 1.588 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.964 4.164 3.076 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.808 2.930 1.369 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.217 4.751 2.857 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.139 4.133 2.003 1.00 1.00 C ATOM 1127 OH TYR X 67 104.373 4.711 1.787 1.00 1.00 O ATOM 0 H TYR X 67 97.369 1.386 3.958 1.00 1.00 H new ATOM 0 HA TYR X 67 99.785 0.255 2.966 1.00 1.00 H new ATOM 0 HB2 TYR X 67 98.830 2.046 1.729 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.612 3.046 3.151 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.301 1.416 1.098 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.252 4.640 3.734 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.519 2.454 0.710 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.472 5.679 3.346 1.00 1.00 H new ATOM 0 HH TYR X 67 104.440 5.542 2.302 1.00 1.00 H new ATOM 1137 N ASN X 68 100.183 2.307 5.540 1.00 1.00 N ATOM 1138 CA ASN X 68 101.158 2.651 6.612 1.00 1.00 C ATOM 1139 C ASN X 68 101.320 1.456 7.552 1.00 1.00 C ATOM 1140 O ASN X 68 102.397 1.180 8.043 1.00 1.00 O ATOM 1141 CB ASN X 68 100.645 3.857 7.402 1.00 1.00 C ATOM 1142 CG ASN X 68 100.747 5.115 6.538 1.00 1.00 C ATOM 1143 OD1 ASN X 68 99.897 5.981 6.602 1.00 1.00 O ATOM 1144 ND2 ASN X 68 101.758 5.252 5.725 1.00 1.00 N ATOM 0 H ASN X 68 99.309 2.833 5.562 1.00 1.00 H new ATOM 0 HA ASN X 68 102.121 2.896 6.164 1.00 1.00 H new ATOM 0 HB2 ASN X 68 99.611 3.694 7.704 1.00 1.00 H new ATOM 0 HB3 ASN X 68 101.228 3.982 8.315 1.00 1.00 H new ATOM 0 HD21 ASN X 68 101.835 6.086 5.143 1.00 1.00 H new ATOM 0 HD22 ASN X 68 102.471 4.525 5.671 1.00 1.00 H new ATOM 1151 N THR X 69 100.257 0.740 7.805 1.00 1.00 N ATOM 1152 CA THR X 69 100.345 -0.419 8.736 1.00 1.00 C ATOM 1153 C THR X 69 101.267 -1.482 8.135 1.00 1.00 C ATOM 1154 O THR X 69 102.142 -2.005 8.796 1.00 1.00 O ATOM 1155 CB THR X 69 98.950 -1.013 8.947 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.098 -0.026 9.511 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.040 -2.212 9.891 1.00 1.00 C ATOM 0 H THR X 69 99.333 0.908 7.407 1.00 1.00 H new ATOM 0 HA THR X 69 100.745 -0.088 9.694 1.00 1.00 H new ATOM 0 HB THR X 69 98.545 -1.339 7.989 1.00 1.00 H new ATOM 0 HG1 THR X 69 97.741 0.544 8.798 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.046 -2.633 10.040 1.00 1.00 H new ATOM 0 HG22 THR X 69 99.694 -2.969 9.457 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.445 -1.890 10.850 1.00 1.00 H new ATOM 1165 N PHE X 70 101.081 -1.802 6.883 1.00 1.00 N ATOM 1166 CA PHE X 70 101.913 -2.867 6.256 1.00 1.00 C ATOM 1167 C PHE X 70 102.820 -2.240 5.195 1.00 1.00 C ATOM 1168 O PHE X 70 104.020 -2.427 5.202 1.00 1.00 O ATOM 1169 CB PHE X 70 101.002 -3.906 5.598 1.00 1.00 C ATOM 1170 CG PHE X 70 100.355 -4.756 6.666 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.074 -5.799 7.261 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.036 -4.501 7.060 1.00 1.00 C ATOM 1173 CE1 PHE X 70 100.474 -6.587 8.250 1.00 1.00 C ATOM 1174 CE2 PHE X 70 98.436 -5.289 8.050 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.155 -6.332 8.645 1.00 1.00 C ATOM 0 H PHE X 70 100.390 -1.372 6.268 1.00 1.00 H new ATOM 0 HA PHE X 70 102.522 -3.351 7.019 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.237 -3.409 5.001 1.00 1.00 H new ATOM 0 HB3 PHE X 70 101.579 -4.533 4.919 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.092 -5.996 6.957 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.481 -3.696 6.600 1.00 1.00 H new ATOM 0 HE1 PHE X 70 101.029 -7.392 8.709 1.00 1.00 H new ATOM 0 HE2 PHE X 70 97.419 -5.092 8.354 1.00 1.00 H new ATOM 0 HZ PHE X 70 98.693 -6.940 9.409 1.00 1.00 H new ATOM 1185 N GLY X 71 102.253 -1.496 4.285 1.00 1.00 N ATOM 1186 CA GLY X 71 103.077 -0.879 3.208 1.00 1.00 C ATOM 1187 C GLY X 71 102.311 -0.936 1.886 1.00 1.00 C ATOM 1188 O GLY X 71 101.119 -1.167 1.858 1.00 1.00 O ATOM 0 H GLY X 71 101.255 -1.289 4.241 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.311 0.155 3.461 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.026 -1.406 3.114 1.00 1.00 H new ATOM 1192 N PRO X 72 103.000 -0.727 0.798 1.00 1.00 N ATOM 1193 CA PRO X 72 102.392 -0.747 -0.562 1.00 1.00 C ATOM 1194 C PRO X 72 102.052 -2.169 -1.017 1.00 1.00 C ATOM 1195 O PRO X 72 101.323 -2.370 -1.967 1.00 1.00 O ATOM 1196 CB PRO X 72 103.466 -0.134 -1.475 1.00 1.00 C ATOM 1197 CG PRO X 72 104.756 -0.196 -0.717 1.00 1.00 C ATOM 1198 CD PRO X 72 104.436 -0.450 0.743 1.00 1.00 C ATOM 0 HA PRO X 72 101.451 -0.198 -0.585 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.540 -0.686 -2.412 1.00 1.00 H new ATOM 0 HB3 PRO X 72 103.216 0.896 -1.731 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.390 -0.990 -1.111 1.00 1.00 H new ATOM 0 HG3 PRO X 72 105.308 0.738 -0.828 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.011 -1.292 1.128 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.690 0.416 1.355 1.00 1.00 H new ATOM 1206 N GLU X 73 102.571 -3.158 -0.342 1.00 1.00 N ATOM 1207 CA GLU X 73 102.275 -4.563 -0.736 1.00 1.00 C ATOM 1208 C GLU X 73 100.772 -4.815 -0.616 1.00 1.00 C ATOM 1209 O GLU X 73 100.140 -5.317 -1.524 1.00 1.00 O ATOM 1210 CB GLU X 73 103.030 -5.524 0.185 1.00 1.00 C ATOM 1211 CG GLU X 73 104.529 -5.451 -0.115 1.00 1.00 C ATOM 1212 CD GLU X 73 104.798 -6.019 -1.510 1.00 1.00 C ATOM 1213 OE1 GLU X 73 103.967 -6.769 -1.994 1.00 1.00 O ATOM 1214 OE2 GLU X 73 105.832 -5.693 -2.071 1.00 1.00 O ATOM 0 H GLU X 73 103.187 -3.053 0.465 1.00 1.00 H new ATOM 0 HA GLU X 73 102.592 -4.727 -1.766 1.00 1.00 H new ATOM 0 HB2 GLU X 73 102.844 -5.266 1.228 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.669 -6.542 0.040 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.872 -4.418 -0.059 1.00 1.00 H new ATOM 0 HG3 GLU X 73 105.088 -6.014 0.633 1.00 1.00 H new ATOM 1221 N LYS X 74 100.192 -4.467 0.501 1.00 1.00 N ATOM 1222 CA LYS X 74 98.731 -4.691 0.684 1.00 1.00 C ATOM 1223 C LYS X 74 97.956 -3.776 -0.265 1.00 1.00 C ATOM 1224 O LYS X 74 97.033 -4.197 -0.934 1.00 1.00 O ATOM 1225 CB LYS X 74 98.342 -4.372 2.130 1.00 1.00 C ATOM 1226 CG LYS X 74 99.043 -5.352 3.074 1.00 1.00 C ATOM 1227 CD LYS X 74 98.433 -6.745 2.908 1.00 1.00 C ATOM 1228 CE LYS X 74 98.681 -7.564 4.177 1.00 1.00 C ATOM 1229 NZ LYS X 74 98.118 -8.933 4.001 1.00 1.00 N ATOM 0 H LYS X 74 100.668 -4.037 1.294 1.00 1.00 H new ATOM 0 HA LYS X 74 98.492 -5.732 0.465 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.624 -3.348 2.376 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.261 -4.443 2.251 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.111 -5.383 2.856 1.00 1.00 H new ATOM 0 HG3 LYS X 74 98.938 -5.018 4.106 1.00 1.00 H new ATOM 0 HD2 LYS X 74 97.363 -6.665 2.717 1.00 1.00 H new ATOM 0 HD3 LYS X 74 98.874 -7.247 2.046 1.00 1.00 H new ATOM 0 HE2 LYS X 74 99.750 -7.622 4.382 1.00 1.00 H new ATOM 0 HE3 LYS X 74 98.218 -7.076 5.034 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 98.286 -9.491 4.863 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 97.095 -8.868 3.825 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 98.580 -9.397 3.193 1.00 1.00 H new ATOM 1243 N VAL X 75 98.323 -2.526 -0.328 1.00 1.00 N ATOM 1244 CA VAL X 75 97.604 -1.582 -1.227 1.00 1.00 C ATOM 1245 C VAL X 75 98.585 -0.535 -1.757 1.00 1.00 C ATOM 1246 O VAL X 75 98.767 0.513 -1.167 1.00 1.00 O ATOM 1247 CB VAL X 75 96.488 -0.886 -0.447 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.478 -1.927 0.038 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.088 -0.159 0.759 1.00 1.00 C ATOM 0 H VAL X 75 99.091 -2.118 0.205 1.00 1.00 H new ATOM 0 HA VAL X 75 97.174 -2.133 -2.063 1.00 1.00 H new ATOM 0 HB VAL X 75 95.986 -0.167 -1.094 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.683 -1.431 0.594 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.051 -2.447 -0.820 1.00 1.00 H new ATOM 0 HG13 VAL X 75 95.979 -2.646 0.686 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.294 0.338 1.316 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.589 -0.879 1.406 1.00 1.00 H new ATOM 0 HG23 VAL X 75 97.809 0.583 0.415 1.00 1.00 H new ATOM 1259 N PRO X 76 99.214 -0.821 -2.864 1.00 1.00 N ATOM 1260 CA PRO X 76 100.216 0.091 -3.482 1.00 1.00 C ATOM 1261 C PRO X 76 99.556 1.220 -4.280 1.00 1.00 C ATOM 1262 O PRO X 76 98.359 1.417 -4.223 1.00 1.00 O ATOM 1263 CB PRO X 76 101.010 -0.829 -4.409 1.00 1.00 C ATOM 1264 CG PRO X 76 100.073 -1.940 -4.760 1.00 1.00 C ATOM 1265 CD PRO X 76 99.036 -2.051 -3.650 1.00 1.00 C ATOM 0 HA PRO X 76 100.830 0.592 -2.734 1.00 1.00 H new ATOM 0 HB2 PRO X 76 101.341 -0.297 -5.301 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.904 -1.210 -3.914 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.588 -1.742 -5.716 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.618 -2.878 -4.868 1.00 1.00 H new ATOM 0 HD2 PRO X 76 98.026 -2.122 -4.054 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.199 -2.940 -3.041 1.00 1.00 H new ATOM 1273 N VAL X 77 100.330 1.963 -5.024 1.00 1.00 N ATOM 1274 CA VAL X 77 99.753 3.091 -5.807 1.00 1.00 C ATOM 1275 C VAL X 77 98.798 2.538 -6.867 1.00 1.00 C ATOM 1276 O VAL X 77 97.971 3.249 -7.404 1.00 1.00 O ATOM 1277 CB VAL X 77 100.879 3.867 -6.492 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.923 4.275 -5.452 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.536 2.982 -7.553 1.00 1.00 C ATOM 0 H VAL X 77 101.337 1.837 -5.123 1.00 1.00 H new ATOM 0 HA VAL X 77 99.209 3.757 -5.137 1.00 1.00 H new ATOM 0 HB VAL X 77 100.469 4.759 -6.965 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.726 4.828 -5.940 1.00 1.00 H new ATOM 0 HG12 VAL X 77 101.456 4.905 -4.695 1.00 1.00 H new ATOM 0 HG13 VAL X 77 102.333 3.383 -4.978 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.339 3.535 -8.042 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.946 2.090 -7.080 1.00 1.00 H new ATOM 0 HG23 VAL X 77 100.792 2.690 -8.295 1.00 1.00 H new ATOM 1289 N THR X 78 98.906 1.275 -7.175 1.00 1.00 N ATOM 1290 CA THR X 78 98.015 0.681 -8.211 1.00 1.00 C ATOM 1291 C THR X 78 96.556 0.864 -7.792 1.00 1.00 C ATOM 1292 O THR X 78 95.674 0.992 -8.617 1.00 1.00 O ATOM 1293 CB THR X 78 98.321 -0.813 -8.355 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.906 -1.495 -7.180 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.824 -1.012 -8.559 1.00 1.00 C ATOM 0 H THR X 78 99.573 0.628 -6.754 1.00 1.00 H new ATOM 0 HA THR X 78 98.186 1.179 -9.165 1.00 1.00 H new ATOM 0 HB THR X 78 97.785 -1.212 -9.216 1.00 1.00 H new ATOM 0 HG1 THR X 78 98.240 -2.416 -7.201 1.00 1.00 H new ATOM 0 HG21 THR X 78 100.040 -2.076 -8.661 1.00 1.00 H new ATOM 0 HG22 THR X 78 100.141 -0.489 -9.461 1.00 1.00 H new ATOM 0 HG23 THR X 78 100.364 -0.613 -7.700 1.00 1.00 H new ATOM 1303 N ALA X 79 96.294 0.877 -6.514 1.00 1.00 N ATOM 1304 CA ALA X 79 94.891 1.052 -6.042 1.00 1.00 C ATOM 1305 C ALA X 79 94.354 2.398 -6.533 1.00 1.00 C ATOM 1306 O ALA X 79 93.236 2.499 -6.995 1.00 1.00 O ATOM 1307 CB ALA X 79 94.860 1.019 -4.512 1.00 1.00 C ATOM 0 H ALA X 79 96.991 0.774 -5.776 1.00 1.00 H new ATOM 0 HA ALA X 79 94.271 0.246 -6.436 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.834 1.147 -4.166 1.00 1.00 H new ATOM 0 HB2 ALA X 79 95.245 0.061 -4.161 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.479 1.825 -4.118 1.00 1.00 H new ATOM 1313 N PHE X 80 95.145 3.433 -6.437 1.00 1.00 N ATOM 1314 CA PHE X 80 94.679 4.771 -6.896 1.00 1.00 C ATOM 1315 C PHE X 80 94.448 4.739 -8.407 1.00 1.00 C ATOM 1316 O PHE X 80 93.502 5.309 -8.914 1.00 1.00 O ATOM 1317 CB PHE X 80 95.741 5.821 -6.565 1.00 1.00 C ATOM 1318 CG PHE X 80 95.722 6.103 -5.082 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.461 5.299 -4.206 1.00 1.00 C ATOM 1320 CD2 PHE X 80 94.966 7.171 -4.583 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.443 5.562 -2.831 1.00 1.00 C ATOM 1322 CE2 PHE X 80 94.949 7.434 -3.208 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.686 6.630 -2.332 1.00 1.00 C ATOM 0 H PHE X 80 96.093 3.409 -6.061 1.00 1.00 H new ATOM 0 HA PHE X 80 93.747 5.025 -6.391 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.726 5.465 -6.866 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.549 6.737 -7.123 1.00 1.00 H new ATOM 0 HD1 PHE X 80 97.045 4.476 -4.591 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.396 7.792 -5.259 1.00 1.00 H new ATOM 0 HE1 PHE X 80 97.013 4.942 -2.155 1.00 1.00 H new ATOM 0 HE2 PHE X 80 94.367 8.258 -2.823 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.671 6.833 -1.271 1.00 1.00 H new ATOM 1333 N SER X 81 95.307 4.076 -9.132 1.00 1.00 N ATOM 1334 CA SER X 81 95.136 4.003 -10.611 1.00 1.00 C ATOM 1335 C SER X 81 93.813 3.306 -10.936 1.00 1.00 C ATOM 1336 O SER X 81 93.050 3.759 -11.766 1.00 1.00 O ATOM 1337 CB SER X 81 96.295 3.212 -11.220 1.00 1.00 C ATOM 1338 OG SER X 81 97.518 3.881 -10.941 1.00 1.00 O ATOM 0 H SER X 81 96.120 3.582 -8.764 1.00 1.00 H new ATOM 0 HA SER X 81 95.127 5.010 -11.027 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.317 2.203 -10.809 1.00 1.00 H new ATOM 0 HB3 SER X 81 96.158 3.115 -12.297 1.00 1.00 H new ATOM 0 HG SER X 81 98.263 3.376 -11.328 1.00 1.00 H new ATOM 1344 N TYR X 82 93.535 2.208 -10.287 1.00 1.00 N ATOM 1345 CA TYR X 82 92.261 1.486 -10.559 1.00 1.00 C ATOM 1346 C TYR X 82 91.080 2.343 -10.099 1.00 1.00 C ATOM 1347 O TYR X 82 90.076 2.447 -10.776 1.00 1.00 O ATOM 1348 CB TYR X 82 92.256 0.156 -9.799 1.00 1.00 C ATOM 1349 CG TYR X 82 93.090 -0.858 -10.545 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.675 -1.314 -11.802 1.00 1.00 C ATOM 1351 CD2 TYR X 82 94.276 -1.343 -9.982 1.00 1.00 C ATOM 1352 CE1 TYR X 82 93.446 -2.255 -12.496 1.00 1.00 C ATOM 1353 CE2 TYR X 82 95.048 -2.283 -10.675 1.00 1.00 C ATOM 1354 CZ TYR X 82 94.632 -2.739 -11.933 1.00 1.00 C ATOM 1355 OH TYR X 82 95.393 -3.664 -12.617 1.00 1.00 O ATOM 0 H TYR X 82 94.135 1.781 -9.581 1.00 1.00 H new ATOM 0 HA TYR X 82 92.173 1.293 -11.628 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.652 0.299 -8.794 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.234 -0.208 -9.690 1.00 1.00 H new ATOM 0 HD1 TYR X 82 91.760 -0.940 -12.237 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.596 -0.992 -9.012 1.00 1.00 H new ATOM 0 HE1 TYR X 82 93.125 -2.607 -13.465 1.00 1.00 H new ATOM 0 HE2 TYR X 82 95.963 -2.656 -10.240 1.00 1.00 H new ATOM 0 HH TYR X 82 96.184 -3.894 -12.086 1.00 1.00 H new ATOM 1365 N TRP X 83 91.190 2.961 -8.956 1.00 1.00 N ATOM 1366 CA TRP X 83 90.077 3.820 -8.462 1.00 1.00 C ATOM 1367 C TRP X 83 89.884 4.998 -9.420 1.00 1.00 C ATOM 1368 O TRP X 83 88.780 5.453 -9.643 1.00 1.00 O ATOM 1369 CB TRP X 83 90.421 4.347 -7.068 1.00 1.00 C ATOM 1370 CG TRP X 83 89.158 4.626 -6.317 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.509 5.814 -6.302 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.382 3.725 -5.476 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.384 5.699 -5.506 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.263 4.430 -4.974 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.539 2.379 -5.102 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.331 3.820 -4.132 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.604 1.761 -4.256 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.502 2.481 -3.772 1.00 1.00 C ATOM 0 H TRP X 83 92.003 2.908 -8.342 1.00 1.00 H new ATOM 0 HA TRP X 83 89.158 3.236 -8.412 1.00 1.00 H new ATOM 0 HB2 TRP X 83 91.024 3.616 -6.529 1.00 1.00 H new ATOM 0 HB3 TRP X 83 91.018 5.255 -7.148 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.819 6.706 -6.826 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.725 6.458 -5.333 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.385 1.816 -5.468 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.484 4.379 -3.762 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.734 0.726 -3.977 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.786 2.001 -3.121 1.00 1.00 H new ATOM 1389 N ASN X 84 90.948 5.490 -9.989 1.00 1.00 N ATOM 1390 CA ASN X 84 90.824 6.628 -10.942 1.00 1.00 C ATOM 1391 C ASN X 84 89.899 6.223 -12.092 1.00 1.00 C ATOM 1392 O ASN X 84 89.078 6.996 -12.544 1.00 1.00 O ATOM 1393 CB ASN X 84 92.206 6.985 -11.496 1.00 1.00 C ATOM 1394 CG ASN X 84 92.979 7.797 -10.455 1.00 1.00 C ATOM 1395 OD1 ASN X 84 92.395 8.357 -9.548 1.00 1.00 O ATOM 1396 ND2 ASN X 84 94.278 7.883 -10.547 1.00 1.00 N ATOM 0 H ASN X 84 91.899 5.154 -9.836 1.00 1.00 H new ATOM 0 HA ASN X 84 90.409 7.494 -10.427 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.755 6.077 -11.746 1.00 1.00 H new ATOM 0 HB3 ASN X 84 92.103 7.559 -12.417 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.804 8.420 -9.858 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.768 7.413 -11.308 1.00 1.00 H new ATOM 1403 N LEU X 85 90.029 5.015 -12.569 1.00 1.00 N ATOM 1404 CA LEU X 85 89.142 4.547 -13.671 1.00 1.00 C ATOM 1405 C LEU X 85 87.691 4.520 -13.185 1.00 1.00 C ATOM 1406 O LEU X 85 86.784 4.921 -13.887 1.00 1.00 O ATOM 1407 CB LEU X 85 89.562 3.140 -14.102 1.00 1.00 C ATOM 1408 CG LEU X 85 90.941 3.199 -14.761 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.418 1.781 -15.076 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.849 4.005 -16.058 1.00 1.00 C ATOM 0 H LEU X 85 90.712 4.331 -12.243 1.00 1.00 H new ATOM 0 HA LEU X 85 89.228 5.228 -14.518 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.588 2.476 -13.238 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.832 2.728 -14.798 1.00 1.00 H new ATOM 0 HG LEU X 85 91.648 3.677 -14.083 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.401 1.824 -15.546 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.482 1.205 -14.153 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.712 1.302 -15.755 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.831 4.049 -16.530 1.00 1.00 H new ATOM 0 HD22 LEU X 85 90.142 3.525 -16.735 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.509 5.016 -15.835 1.00 1.00 H new ATOM 1422 N ILE X 86 87.465 4.051 -11.989 1.00 1.00 N ATOM 1423 CA ILE X 86 86.075 4.019 -11.452 1.00 1.00 C ATOM 1424 C ILE X 86 85.546 5.448 -11.327 1.00 1.00 C ATOM 1425 O ILE X 86 84.406 5.730 -11.640 1.00 1.00 O ATOM 1426 CB ILE X 86 86.075 3.353 -10.075 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.126 1.833 -10.244 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.801 3.739 -9.322 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.707 1.289 -10.411 1.00 1.00 C ATOM 0 H ILE X 86 88.182 3.689 -11.360 1.00 1.00 H new ATOM 0 HA ILE X 86 85.436 3.452 -12.129 1.00 1.00 H new ATOM 0 HB ILE X 86 86.946 3.686 -9.510 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.731 1.573 -11.113 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.602 1.376 -9.376 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.801 3.265 -8.341 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.763 4.822 -9.202 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.930 3.406 -9.886 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.744 0.206 -10.531 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.116 1.536 -9.529 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.247 1.736 -11.292 1.00 1.00 H new ATOM 1441 N LYS X 87 86.367 6.355 -10.871 1.00 1.00 N ATOM 1442 CA LYS X 87 85.914 7.767 -10.730 1.00 1.00 C ATOM 1443 C LYS X 87 85.343 8.254 -12.064 1.00 1.00 C ATOM 1444 O LYS X 87 84.335 8.932 -12.108 1.00 1.00 O ATOM 1445 CB LYS X 87 87.103 8.646 -10.332 1.00 1.00 C ATOM 1446 CG LYS X 87 87.049 8.925 -8.829 1.00 1.00 C ATOM 1447 CD LYS X 87 88.280 9.735 -8.417 1.00 1.00 C ATOM 1448 CE LYS X 87 88.200 10.059 -6.924 1.00 1.00 C ATOM 1449 NZ LYS X 87 89.420 10.810 -6.512 1.00 1.00 N ATOM 0 H LYS X 87 87.332 6.178 -10.590 1.00 1.00 H new ATOM 0 HA LYS X 87 85.144 7.828 -9.961 1.00 1.00 H new ATOM 0 HB2 LYS X 87 88.039 8.148 -10.587 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.079 9.583 -10.888 1.00 1.00 H new ATOM 0 HG2 LYS X 87 86.140 9.474 -8.582 1.00 1.00 H new ATOM 0 HG3 LYS X 87 87.015 7.987 -8.275 1.00 1.00 H new ATOM 0 HD2 LYS X 87 89.188 9.171 -8.630 1.00 1.00 H new ATOM 0 HD3 LYS X 87 88.334 10.656 -8.998 1.00 1.00 H new ATOM 0 HE2 LYS X 87 87.308 10.651 -6.717 1.00 1.00 H new ATOM 0 HE3 LYS X 87 88.114 9.139 -6.346 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 89.406 10.956 -5.482 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 90.267 10.266 -6.773 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 89.439 11.732 -6.993 1.00 1.00 H new ATOM 1463 N GLU X 88 85.978 7.914 -13.153 1.00 1.00 N ATOM 1464 CA GLU X 88 85.471 8.362 -14.480 1.00 1.00 C ATOM 1465 C GLU X 88 84.163 7.635 -14.797 1.00 1.00 C ATOM 1466 O GLU X 88 83.249 8.199 -15.365 1.00 1.00 O ATOM 1467 CB GLU X 88 86.509 8.041 -15.559 1.00 1.00 C ATOM 1468 CG GLU X 88 87.760 8.892 -15.336 1.00 1.00 C ATOM 1469 CD GLU X 88 88.827 8.510 -16.364 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.538 7.675 -17.205 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.914 9.059 -16.291 1.00 1.00 O ATOM 0 H GLU X 88 86.825 7.346 -13.180 1.00 1.00 H new ATOM 0 HA GLU X 88 85.293 9.437 -14.457 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.766 6.982 -15.527 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.094 8.238 -16.547 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.514 9.950 -15.427 1.00 1.00 H new ATOM 0 HG3 GLU X 88 88.141 8.739 -14.326 1.00 1.00 H new ATOM 1478 N LEU X 89 84.065 6.386 -14.431 1.00 1.00 N ATOM 1479 CA LEU X 89 82.828 5.616 -14.736 1.00 1.00 C ATOM 1480 C LEU X 89 81.645 6.240 -13.992 1.00 1.00 C ATOM 1481 O LEU X 89 80.602 6.489 -14.563 1.00 1.00 O ATOM 1482 CB LEU X 89 83.005 4.164 -14.285 1.00 1.00 C ATOM 1483 CG LEU X 89 81.700 3.397 -14.502 1.00 1.00 C ATOM 1484 CD1 LEU X 89 81.301 3.473 -15.977 1.00 1.00 C ATOM 1485 CD2 LEU X 89 81.897 1.932 -14.104 1.00 1.00 C ATOM 0 H LEU X 89 84.789 5.866 -13.934 1.00 1.00 H new ATOM 0 HA LEU X 89 82.639 5.642 -15.809 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.813 3.694 -14.846 1.00 1.00 H new ATOM 0 HB3 LEU X 89 83.287 4.131 -13.233 1.00 1.00 H new ATOM 0 HG LEU X 89 80.914 3.839 -13.889 1.00 1.00 H new ATOM 0 HD11 LEU X 89 80.371 2.926 -16.131 1.00 1.00 H new ATOM 0 HD12 LEU X 89 81.161 4.515 -16.263 1.00 1.00 H new ATOM 0 HD13 LEU X 89 82.087 3.032 -16.590 1.00 1.00 H new ATOM 0 HD21 LEU X 89 80.967 1.385 -14.258 1.00 1.00 H new ATOM 0 HD22 LEU X 89 82.683 1.491 -14.717 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.181 1.875 -13.053 1.00 1.00 H new ATOM 1497 N ILE X 90 81.801 6.495 -12.723 1.00 1.00 N ATOM 1498 CA ILE X 90 80.683 7.094 -11.941 1.00 1.00 C ATOM 1499 C ILE X 90 80.525 8.567 -12.325 1.00 1.00 C ATOM 1500 O ILE X 90 79.427 9.063 -12.482 1.00 1.00 O ATOM 1501 CB ILE X 90 80.992 6.987 -10.446 1.00 1.00 C ATOM 1502 CG1 ILE X 90 82.288 7.741 -10.139 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.157 5.515 -10.062 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.779 7.361 -8.741 1.00 1.00 C ATOM 0 H ILE X 90 82.654 6.315 -12.193 1.00 1.00 H new ATOM 0 HA ILE X 90 79.758 6.560 -12.160 1.00 1.00 H new ATOM 0 HB ILE X 90 80.172 7.422 -9.874 1.00 1.00 H new ATOM 0 HG12 ILE X 90 83.048 7.498 -10.882 1.00 1.00 H new ATOM 0 HG13 ILE X 90 82.118 8.816 -10.197 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.377 5.439 -8.997 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.235 4.976 -10.281 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.976 5.079 -10.634 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.702 7.897 -8.521 1.00 1.00 H new ATOM 0 HD12 ILE X 90 82.021 7.627 -8.004 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.965 6.288 -8.700 1.00 1.00 H new ATOM 1516 N ASP X 91 81.613 9.269 -12.478 1.00 1.00 N ATOM 1517 CA ASP X 91 81.524 10.713 -12.838 1.00 1.00 C ATOM 1518 C ASP X 91 80.821 10.859 -14.190 1.00 1.00 C ATOM 1519 O ASP X 91 79.991 11.727 -14.378 1.00 1.00 O ATOM 1520 CB ASP X 91 82.932 11.305 -12.928 1.00 1.00 C ATOM 1521 CG ASP X 91 83.522 11.439 -11.523 1.00 1.00 C ATOM 1522 OD1 ASP X 91 82.754 11.418 -10.575 1.00 1.00 O ATOM 1523 OD2 ASP X 91 84.732 11.560 -11.417 1.00 1.00 O ATOM 0 H ASP X 91 82.560 8.906 -12.370 1.00 1.00 H new ATOM 0 HA ASP X 91 80.956 11.243 -12.074 1.00 1.00 H new ATOM 0 HB2 ASP X 91 83.568 10.666 -13.541 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.897 12.280 -13.414 1.00 1.00 H new ATOM 1528 N LYS X 92 81.148 10.017 -15.132 1.00 1.00 N ATOM 1529 CA LYS X 92 80.489 10.099 -16.467 1.00 1.00 C ATOM 1530 C LYS X 92 78.997 9.786 -16.321 1.00 1.00 C ATOM 1531 O LYS X 92 78.156 10.436 -16.910 1.00 1.00 O ATOM 1532 CB LYS X 92 81.134 9.088 -17.416 1.00 1.00 C ATOM 1533 CG LYS X 92 82.491 9.616 -17.884 1.00 1.00 C ATOM 1534 CD LYS X 92 83.135 8.604 -18.832 1.00 1.00 C ATOM 1535 CE LYS X 92 84.519 9.103 -19.248 1.00 1.00 C ATOM 1536 NZ LYS X 92 84.373 10.290 -20.136 1.00 1.00 N ATOM 0 H LYS X 92 81.842 9.276 -15.035 1.00 1.00 H new ATOM 0 HA LYS X 92 80.610 11.104 -16.871 1.00 1.00 H new ATOM 0 HB2 LYS X 92 81.260 8.130 -16.912 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.485 8.914 -18.274 1.00 1.00 H new ATOM 0 HG2 LYS X 92 82.366 10.574 -18.389 1.00 1.00 H new ATOM 0 HG3 LYS X 92 83.140 9.790 -17.026 1.00 1.00 H new ATOM 0 HD2 LYS X 92 83.219 7.634 -18.343 1.00 1.00 H new ATOM 0 HD3 LYS X 92 82.508 8.464 -19.712 1.00 1.00 H new ATOM 0 HE2 LYS X 92 85.103 9.365 -18.366 1.00 1.00 H new ATOM 0 HE3 LYS X 92 85.062 8.312 -19.766 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 85.280 10.485 -20.606 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 83.645 10.099 -20.853 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 84.093 11.115 -19.569 1.00 1.00 H new ATOM 1550 N LYS X 93 78.664 8.792 -15.543 1.00 1.00 N ATOM 1551 CA LYS X 93 77.226 8.447 -15.349 1.00 1.00 C ATOM 1552 C LYS X 93 76.600 9.417 -14.344 1.00 1.00 C ATOM 1553 O LYS X 93 77.127 9.643 -13.272 1.00 1.00 O ATOM 1554 CB LYS X 93 77.111 7.016 -14.818 1.00 1.00 C ATOM 1555 CG LYS X 93 75.636 6.640 -14.680 1.00 1.00 C ATOM 1556 CD LYS X 93 75.520 5.168 -14.281 1.00 1.00 C ATOM 1557 CE LYS X 93 74.047 4.807 -14.082 1.00 1.00 C ATOM 1558 NZ LYS X 93 73.926 3.349 -13.800 1.00 1.00 N ATOM 0 H LYS X 93 79.324 8.204 -15.034 1.00 1.00 H new ATOM 0 HA LYS X 93 76.702 8.523 -16.302 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.612 6.324 -15.495 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.610 6.934 -13.852 1.00 1.00 H new ATOM 0 HG2 LYS X 93 75.158 7.270 -13.930 1.00 1.00 H new ATOM 0 HG3 LYS X 93 75.116 6.815 -15.622 1.00 1.00 H new ATOM 0 HD2 LYS X 93 75.959 4.536 -15.053 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.078 4.984 -13.363 1.00 1.00 H new ATOM 0 HE2 LYS X 93 73.629 5.384 -13.257 1.00 1.00 H new ATOM 0 HE3 LYS X 93 73.475 5.064 -14.973 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 72.924 3.104 -13.665 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 74.310 2.808 -14.601 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 74.459 3.117 -12.938 1.00 1.00 H new ATOM 1572 N GLU X 94 75.477 9.991 -14.679 1.00 1.00 N ATOM 1573 CA GLU X 94 74.816 10.941 -13.742 1.00 1.00 C ATOM 1574 C GLU X 94 73.841 10.177 -12.842 1.00 1.00 C ATOM 1575 O GLU X 94 72.858 9.630 -13.300 1.00 1.00 O ATOM 1576 CB GLU X 94 74.050 11.996 -14.543 1.00 1.00 C ATOM 1577 CG GLU X 94 75.039 12.865 -15.323 1.00 1.00 C ATOM 1578 CD GLU X 94 74.270 13.830 -16.226 1.00 1.00 C ATOM 1579 OE1 GLU X 94 73.052 13.812 -16.179 1.00 1.00 O ATOM 1580 OE2 GLU X 94 74.914 14.572 -16.950 1.00 1.00 O ATOM 0 H GLU X 94 74.989 9.843 -15.562 1.00 1.00 H new ATOM 0 HA GLU X 94 75.572 11.429 -13.126 1.00 1.00 H new ATOM 0 HB2 GLU X 94 73.355 11.512 -15.229 1.00 1.00 H new ATOM 0 HB3 GLU X 94 73.456 12.616 -13.872 1.00 1.00 H new ATOM 0 HG2 GLU X 94 75.672 13.423 -14.633 1.00 1.00 H new ATOM 0 HG3 GLU X 94 75.697 12.236 -15.922 1.00 1.00 H new ATOM 1587 N VAL X 95 74.105 10.136 -11.565 1.00 1.00 N ATOM 1588 CA VAL X 95 73.189 9.418 -10.635 1.00 1.00 C ATOM 1589 C VAL X 95 73.067 10.202 -9.327 1.00 1.00 C ATOM 1590 O VAL X 95 73.975 10.903 -8.925 1.00 1.00 O ATOM 1591 CB VAL X 95 73.749 8.025 -10.345 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.101 8.156 -9.639 1.00 1.00 C ATOM 1593 CG2 VAL X 95 72.775 7.264 -9.443 1.00 1.00 C ATOM 0 H VAL X 95 74.917 10.569 -11.125 1.00 1.00 H new ATOM 0 HA VAL X 95 72.205 9.327 -11.094 1.00 1.00 H new ATOM 0 HB VAL X 95 73.879 7.482 -11.281 1.00 1.00 H new ATOM 0 HG11 VAL X 95 75.501 7.163 -9.432 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.795 8.700 -10.280 1.00 1.00 H new ATOM 0 HG13 VAL X 95 74.971 8.698 -8.702 1.00 1.00 H new ATOM 0 HG21 VAL X 95 73.172 6.271 -9.235 1.00 1.00 H new ATOM 0 HG22 VAL X 95 72.646 7.807 -8.507 1.00 1.00 H new ATOM 0 HG23 VAL X 95 71.811 7.172 -9.944 1.00 1.00 H new ATOM 1603 N ASN X 96 71.951 10.090 -8.659 1.00 1.00 N ATOM 1604 CA ASN X 96 71.777 10.822 -7.371 1.00 1.00 C ATOM 1605 C ASN X 96 71.397 9.832 -6.268 1.00 1.00 C ATOM 1606 O ASN X 96 70.236 9.651 -5.958 1.00 1.00 O ATOM 1607 CB ASN X 96 70.669 11.866 -7.524 1.00 1.00 C ATOM 1608 CG ASN X 96 70.722 12.843 -6.348 1.00 1.00 C ATOM 1609 OD1 ASN X 96 70.055 12.649 -5.351 1.00 1.00 O ATOM 1610 ND2 ASN X 96 71.494 13.893 -6.422 1.00 1.00 N ATOM 0 H ASN X 96 71.153 9.524 -8.949 1.00 1.00 H new ATOM 0 HA ASN X 96 72.710 11.319 -7.106 1.00 1.00 H new ATOM 0 HB2 ASN X 96 70.790 12.405 -8.464 1.00 1.00 H new ATOM 0 HB3 ASN X 96 69.696 11.376 -7.560 1.00 1.00 H new ATOM 0 HD21 ASN X 96 71.537 14.550 -5.643 1.00 1.00 H new ATOM 0 HD22 ASN X 96 72.054 14.056 -7.259 1.00 1.00 H new ATOM 1617 N PRO X 97 72.374 9.197 -5.683 1.00 1.00 N ATOM 1618 CA PRO X 97 72.155 8.195 -4.602 1.00 1.00 C ATOM 1619 C PRO X 97 71.347 8.768 -3.433 1.00 1.00 C ATOM 1620 O PRO X 97 70.491 8.110 -2.877 1.00 1.00 O ATOM 1621 CB PRO X 97 73.572 7.839 -4.148 1.00 1.00 C ATOM 1622 CG PRO X 97 74.455 8.186 -5.302 1.00 1.00 C ATOM 1623 CD PRO X 97 73.803 9.367 -5.992 1.00 1.00 C ATOM 0 HA PRO X 97 71.580 7.338 -4.954 1.00 1.00 H new ATOM 0 HB2 PRO X 97 73.852 8.400 -3.256 1.00 1.00 H new ATOM 0 HB3 PRO X 97 73.650 6.781 -3.897 1.00 1.00 H new ATOM 0 HG2 PRO X 97 75.459 8.440 -4.962 1.00 1.00 H new ATOM 0 HG3 PRO X 97 74.553 7.342 -5.985 1.00 1.00 H new ATOM 0 HD2 PRO X 97 74.186 10.315 -5.614 1.00 1.00 H new ATOM 0 HD3 PRO X 97 73.986 9.356 -7.067 1.00 1.00 H new ATOM 1631 N GLN X 98 71.614 9.989 -3.057 1.00 1.00 N ATOM 1632 CA GLN X 98 70.857 10.603 -1.930 1.00 1.00 C ATOM 1633 C GLN X 98 70.809 12.121 -2.116 1.00 1.00 C ATOM 1634 O GLN X 98 69.836 12.666 -2.597 1.00 1.00 O ATOM 1635 CB GLN X 98 71.553 10.271 -0.607 1.00 1.00 C ATOM 1636 CG GLN X 98 71.357 8.789 -0.282 1.00 1.00 C ATOM 1637 CD GLN X 98 71.914 8.493 1.111 1.00 1.00 C ATOM 1638 OE1 GLN X 98 72.314 9.392 1.823 1.00 1.00 O ATOM 1639 NE2 GLN X 98 71.958 7.259 1.534 1.00 1.00 N ATOM 0 H GLN X 98 72.323 10.587 -3.481 1.00 1.00 H new ATOM 0 HA GLN X 98 69.842 10.207 -1.915 1.00 1.00 H new ATOM 0 HB2 GLN X 98 72.616 10.501 -0.676 1.00 1.00 H new ATOM 0 HB3 GLN X 98 71.145 10.887 0.195 1.00 1.00 H new ATOM 0 HG2 GLN X 98 70.298 8.534 -0.323 1.00 1.00 H new ATOM 0 HG3 GLN X 98 71.863 8.173 -1.026 1.00 1.00 H new ATOM 0 HE21 GLN X 98 71.622 6.503 0.937 1.00 1.00 H new ATOM 0 HE22 GLN X 98 72.328 7.051 2.461 1.00 1.00 H new ATOM 1648 N VAL X 99 71.852 12.808 -1.738 1.00 1.00 N ATOM 1649 CA VAL X 99 71.869 14.289 -1.897 1.00 1.00 C ATOM 1650 C VAL X 99 73.101 14.703 -2.703 1.00 1.00 C ATOM 1651 O VAL X 99 74.200 14.759 -2.189 1.00 1.00 O ATOM 1652 CB VAL X 99 71.915 14.950 -0.518 1.00 1.00 C ATOM 1653 CG1 VAL X 99 72.011 16.468 -0.681 1.00 1.00 C ATOM 1654 CG2 VAL X 99 70.641 14.602 0.257 1.00 1.00 C ATOM 0 H VAL X 99 72.694 12.407 -1.325 1.00 1.00 H new ATOM 0 HA VAL X 99 70.969 14.607 -2.422 1.00 1.00 H new ATOM 0 HB VAL X 99 72.786 14.587 0.029 1.00 1.00 H new ATOM 0 HG11 VAL X 99 72.044 16.938 0.302 1.00 1.00 H new ATOM 0 HG12 VAL X 99 72.917 16.718 -1.233 1.00 1.00 H new ATOM 0 HG13 VAL X 99 71.141 16.831 -1.228 1.00 1.00 H new ATOM 0 HG21 VAL X 99 70.673 15.073 1.240 1.00 1.00 H new ATOM 0 HG22 VAL X 99 69.771 14.965 -0.291 1.00 1.00 H new ATOM 0 HG23 VAL X 99 70.571 13.521 0.375 1.00 1.00 H new ATOM 1664 N MET X 100 72.928 14.995 -3.963 1.00 1.00 N ATOM 1665 CA MET X 100 74.091 15.403 -4.798 1.00 1.00 C ATOM 1666 C MET X 100 75.246 14.425 -4.578 1.00 1.00 C ATOM 1667 O MET X 100 74.979 13.304 -4.175 1.00 1.00 O ATOM 1668 CB MET X 100 74.534 16.813 -4.401 1.00 1.00 C ATOM 1669 CG MET X 100 73.497 17.829 -4.883 1.00 1.00 C ATOM 1670 SD MET X 100 73.983 19.487 -4.344 1.00 1.00 S ATOM 1671 CE MET X 100 75.492 19.614 -5.335 1.00 1.00 C ATOM 1672 OXT MET X 100 76.379 14.812 -4.817 1.00 1.00 O ATOM 0 H MET X 100 72.032 14.968 -4.449 1.00 1.00 H new ATOM 0 HA MET X 100 73.804 15.394 -5.849 1.00 1.00 H new ATOM 0 HB2 MET X 100 74.647 16.879 -3.319 1.00 1.00 H new ATOM 0 HB3 MET X 100 75.507 17.036 -4.838 1.00 1.00 H new ATOM 0 HG2 MET X 100 73.418 17.797 -5.970 1.00 1.00 H new ATOM 0 HG3 MET X 100 72.514 17.579 -4.484 1.00 1.00 H new ATOM 0 HE1 MET X 100 75.578 20.623 -5.740 1.00 1.00 H new ATOM 0 HE2 MET X 100 76.358 19.399 -4.709 1.00 1.00 H new ATOM 0 HE3 MET X 100 75.450 18.897 -6.155 1.00 1.00 H new TER 1682 MET X 100