USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1050 hydrogens (25 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 122 SER OG : rot 12:sc= 0.795 USER MOD Set 1.2: A 125 THR OG1 : rot -151:sc= -0.0529 USER MOD Set 2.1: A 99 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.83) USER MOD Set 2.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 62 SER OG : rot -110:sc= 0.251 USER MOD Set 3.2: A 66 GLN : amide:sc= -0.247 K(o=0.0045,f=-6.1!) USER MOD Set 4.1: A 25 HIS : no HD1:sc= 0 K(o=-0.51,f=-3) USER MOD Set 4.2: A 29 ASN : amide:sc= -0.515 K(o=-0.51,f=-1.1) USER MOD Set 5.1: A 3 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00148) USER MOD Set 5.2: A 5 THR OG1 : rot 165:sc= -0.6 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.084) USER MOD Single : A 4 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00431) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 15 CYS SG : rot 30:sc= 0.138 USER MOD Single : A 16 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= -0.209 (180deg=-0.44) USER MOD Single : A 26 SER OG : rot 138:sc= 0.361! USER MOD Single : A 28 THR OG1 : rot -63:sc= 0.13 USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 41 SER OG : rot -38:sc= 0.543 USER MOD Single : A 42 SER OG : rot 36:sc= -3.56! USER MOD Single : A 43 GLN : amide:sc= -1.45 K(o=-1.4,f=-9.4!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.177) USER MOD Single : A 59 CYS SG : rot 13:sc= 0.569 USER MOD Single : A 61 SER OG : rot 56:sc= 1.21 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot -103:sc= 1.78 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.65 (180deg=-1.33!) USER MOD Single : A 78 CYS SG : rot 154:sc= -0.952 USER MOD Single : A 84 LYS NZ :NH3+ 146:sc= -0.406 (180deg=-1.51) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 0.198 (180deg=0.105) USER MOD Single : A 93 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.46) USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0112) USER MOD Single : A 100 ASN : amide:sc= 0.105 K(o=0.1,f=-3.8!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl 166:sc= -0.0449 (180deg=-0.216) USER MOD Single : A 117 TYR OH : rot 175:sc= -1.19 USER MOD Single : A 121 THR OG1 : rot 88:sc= 0.739 USER MOD Single : A 126 THR OG1 : rot -51:sc= 0.442 USER MOD Single : A 130 MET CE :methyl -149:sc= -1.35 (180deg=-4.62) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 FOP N4 :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 DBI O2' : rot 169:sc= 0.332 USER MOD Single : A 139 DBI O5' : rot 18:sc= 0.0636 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.217 8.684 13.541 1.00 0.00 N ATOM 2 CA MET A 1 -2.509 7.457 13.833 1.00 0.00 C ATOM 3 C MET A 1 -3.358 6.342 13.222 1.00 0.00 C ATOM 4 O MET A 1 -2.915 5.605 12.350 1.00 0.00 O ATOM 5 CB MET A 1 -2.307 7.287 15.351 1.00 0.00 C ATOM 6 CG MET A 1 -1.592 5.979 15.715 1.00 0.00 C ATOM 7 SD MET A 1 -1.426 5.787 17.498 1.00 0.00 S ATOM 8 CE MET A 1 -1.172 4.004 17.544 1.00 0.00 C ATOM 0 H1 MET A 1 -2.628 9.497 13.810 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.427 8.730 12.523 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.107 8.708 14.079 1.00 0.00 H new ATOM 0 HA MET A 1 -1.504 7.447 13.411 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.730 8.129 15.732 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.277 7.315 15.847 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.148 5.134 15.308 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.605 5.963 15.253 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.046 3.681 18.577 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.037 3.502 17.110 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.279 3.749 16.973 1.00 0.00 H new ATOM 20 N GLU A 2 -4.605 6.278 13.744 1.00 0.00 N ATOM 21 CA GLU A 2 -5.582 5.287 13.321 1.00 0.00 C ATOM 22 C GLU A 2 -6.538 6.010 12.361 1.00 0.00 C ATOM 23 O GLU A 2 -7.751 5.844 12.417 1.00 0.00 O ATOM 24 CB GLU A 2 -6.315 4.730 14.561 1.00 0.00 C ATOM 25 CG GLU A 2 -5.380 4.172 15.651 1.00 0.00 C ATOM 26 CD GLU A 2 -4.618 2.918 15.185 1.00 0.00 C ATOM 27 OE1 GLU A 2 -3.605 3.057 14.500 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.042 1.814 15.523 1.00 0.00 O ATOM 0 H GLU A 2 -4.946 6.914 14.465 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.124 4.436 12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.927 5.522 14.994 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.995 3.940 14.242 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.665 4.942 15.941 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.965 3.930 16.538 1.00 0.00 H new ATOM 35 N LYS A 3 -5.907 6.811 11.469 1.00 0.00 N ATOM 36 CA LYS A 3 -6.576 7.605 10.467 1.00 0.00 C ATOM 37 C LYS A 3 -7.299 6.637 9.522 1.00 0.00 C ATOM 38 O LYS A 3 -6.830 5.551 9.209 1.00 0.00 O ATOM 39 CB LYS A 3 -5.522 8.461 9.751 1.00 0.00 C ATOM 40 CG LYS A 3 -5.945 9.916 9.610 1.00 0.00 C ATOM 41 CD LYS A 3 -5.086 10.667 8.587 1.00 0.00 C ATOM 42 CE LYS A 3 -5.694 12.002 8.155 1.00 0.00 C ATOM 43 NZ LYS A 3 -6.818 11.840 7.241 1.00 0.00 N ATOM 0 H LYS A 3 -4.892 6.910 11.444 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.316 8.285 10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.583 8.412 10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.332 8.044 8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.991 9.962 9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.871 10.411 10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.098 10.845 9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.945 10.038 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.025 12.548 9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.925 12.608 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.181 12.776 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.504 11.328 6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.573 11.300 7.711 1.00 0.00 H new ATOM 56 N LYS A 4 -8.473 7.137 9.098 1.00 0.00 N ATOM 57 CA LYS A 4 -9.380 6.410 8.232 1.00 0.00 C ATOM 58 C LYS A 4 -9.126 6.883 6.798 1.00 0.00 C ATOM 59 O LYS A 4 -9.562 7.955 6.398 1.00 0.00 O ATOM 60 CB LYS A 4 -10.814 6.690 8.722 1.00 0.00 C ATOM 61 CG LYS A 4 -11.196 8.173 8.876 1.00 0.00 C ATOM 62 CD LYS A 4 -12.626 8.331 9.406 1.00 0.00 C ATOM 63 CE LYS A 4 -13.017 9.796 9.628 1.00 0.00 C ATOM 64 NZ LYS A 4 -13.095 10.558 8.387 1.00 0.00 N ATOM 0 H LYS A 4 -8.809 8.065 9.356 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.229 5.331 8.255 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.512 6.226 8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.950 6.198 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.498 8.661 9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.106 8.675 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.322 7.876 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.723 7.787 10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.981 9.836 10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.289 10.264 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.396 11.531 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.161 10.575 7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.784 10.112 7.749 1.00 0.00 H new ATOM 77 N THR A 5 -8.394 6.026 6.042 1.00 0.00 N ATOM 78 CA THR A 5 -8.084 6.354 4.653 1.00 0.00 C ATOM 79 C THR A 5 -7.233 5.184 4.128 1.00 0.00 C ATOM 80 O THR A 5 -6.056 5.061 4.455 1.00 0.00 O ATOM 81 CB THR A 5 -7.342 7.743 4.539 1.00 0.00 C ATOM 82 OG1 THR A 5 -6.969 8.418 5.783 1.00 0.00 O ATOM 83 CG2 THR A 5 -8.063 8.685 3.529 1.00 0.00 C ATOM 0 H THR A 5 -8.024 5.134 6.369 1.00 0.00 H new ATOM 0 HA THR A 5 -8.987 6.471 4.054 1.00 0.00 H new ATOM 0 HB THR A 5 -6.363 7.474 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.318 9.124 5.589 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.529 9.634 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.080 8.218 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.085 8.863 3.864 1.00 0.00 H new ATOM 91 N ILE A 6 -7.902 4.353 3.284 1.00 0.00 N ATOM 92 CA ILE A 6 -7.300 3.202 2.650 1.00 0.00 C ATOM 93 C ILE A 6 -7.731 3.288 1.191 1.00 0.00 C ATOM 94 O ILE A 6 -8.896 3.135 0.847 1.00 0.00 O ATOM 95 CB ILE A 6 -7.680 1.826 3.287 1.00 0.00 C ATOM 96 CG1 ILE A 6 -8.065 1.789 4.786 1.00 0.00 C ATOM 97 CG2 ILE A 6 -7.116 0.668 2.396 1.00 0.00 C ATOM 98 CD1 ILE A 6 -9.385 2.419 5.286 1.00 0.00 C ATOM 0 H ILE A 6 -8.883 4.485 3.038 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.218 3.234 2.778 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.715 1.485 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.078 0.741 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.255 2.268 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.380 -0.293 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.544 0.737 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.031 0.753 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.466 2.286 6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.393 3.483 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.229 1.932 4.797 1.00 0.00 H new ATOM 110 N VAL A 7 -6.686 3.536 0.374 1.00 0.00 N ATOM 111 CA VAL A 7 -6.775 3.672 -1.062 1.00 0.00 C ATOM 112 C VAL A 7 -6.293 2.364 -1.700 1.00 0.00 C ATOM 113 O VAL A 7 -5.149 1.955 -1.545 1.00 0.00 O ATOM 114 CB VAL A 7 -6.003 4.939 -1.551 1.00 0.00 C ATOM 115 CG1 VAL A 7 -4.802 5.268 -0.618 1.00 0.00 C ATOM 116 CG2 VAL A 7 -6.249 5.726 -2.877 1.00 0.00 C ATOM 0 H VAL A 7 -5.735 3.648 0.725 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.806 3.834 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.791 5.566 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.287 6.155 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.166 5.454 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.110 4.426 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.553 6.563 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.094 5.063 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.272 6.103 -2.892 1.00 0.00 H new ATOM 126 N LEU A 8 -7.256 1.744 -2.424 1.00 0.00 N ATOM 127 CA LEU A 8 -7.034 0.464 -3.073 1.00 0.00 C ATOM 128 C LEU A 8 -6.505 0.728 -4.488 1.00 0.00 C ATOM 129 O LEU A 8 -6.659 1.796 -5.063 1.00 0.00 O ATOM 130 CB LEU A 8 -8.347 -0.349 -3.087 1.00 0.00 C ATOM 131 CG LEU A 8 -8.152 -1.877 -3.350 1.00 0.00 C ATOM 132 CD1 LEU A 8 -7.293 -2.474 -2.205 1.00 0.00 C ATOM 133 CD2 LEU A 8 -9.094 -2.788 -4.169 1.00 0.00 C ATOM 0 H LEU A 8 -8.192 2.125 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.297 -0.127 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.852 -0.218 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.006 0.059 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.681 -1.886 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.149 -3.541 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.323 -1.977 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.802 -2.325 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.700 -3.804 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.085 -2.787 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.162 -2.416 -5.191 1.00 0.00 H new ATOM 145 N GLY A 9 -5.875 -0.354 -4.988 1.00 0.00 N ATOM 146 CA GLY A 9 -5.271 -0.424 -6.311 1.00 0.00 C ATOM 147 C GLY A 9 -5.180 -1.901 -6.708 1.00 0.00 C ATOM 148 O GLY A 9 -5.223 -2.772 -5.849 1.00 0.00 O ATOM 0 H GLY A 9 -5.776 -1.221 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.870 0.129 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.281 0.031 -6.303 1.00 0.00 H new ATOM 152 N VAL A 10 -5.057 -2.144 -8.035 1.00 0.00 N ATOM 153 CA VAL A 10 -4.985 -3.522 -8.509 1.00 0.00 C ATOM 154 C VAL A 10 -4.286 -3.628 -9.879 1.00 0.00 C ATOM 155 O VAL A 10 -4.581 -2.906 -10.821 1.00 0.00 O ATOM 156 CB VAL A 10 -6.443 -4.102 -8.609 1.00 0.00 C ATOM 157 CG1 VAL A 10 -7.307 -3.246 -9.584 1.00 0.00 C ATOM 158 CG2 VAL A 10 -6.932 -5.520 -8.206 1.00 0.00 C ATOM 0 H VAL A 10 -5.008 -1.428 -8.760 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.392 -4.097 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.649 -4.120 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.313 -3.663 -9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.359 -2.220 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.854 -3.256 -10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.001 -5.605 -8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.396 -6.269 -8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.742 -5.682 -7.145 1.00 0.00 H new ATOM 168 N ILE A 11 -3.340 -4.590 -9.905 1.00 0.00 N ATOM 169 CA ILE A 11 -2.577 -4.951 -11.099 1.00 0.00 C ATOM 170 C ILE A 11 -2.635 -6.485 -11.062 1.00 0.00 C ATOM 171 O ILE A 11 -2.419 -7.092 -10.019 1.00 0.00 O ATOM 172 CB ILE A 11 -1.125 -4.379 -11.155 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.927 -3.272 -12.270 1.00 0.00 C ATOM 174 CG2 ILE A 11 -0.355 -4.648 -9.813 1.00 0.00 C ATOM 175 CD1 ILE A 11 -1.929 -2.086 -12.332 1.00 0.00 C ATOM 0 H ILE A 11 -3.088 -5.139 -9.083 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.995 -4.516 -12.007 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.267 -4.819 -11.663 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.072 -2.854 -12.147 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.946 -3.772 -13.239 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.653 -4.238 -9.883 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.884 -4.171 -8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.298 -5.722 -9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.654 -1.419 -13.149 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.936 -2.469 -12.500 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.902 -1.537 -11.391 1.00 0.00 H new ATOM 187 N GLY A 12 -2.956 -7.083 -12.237 1.00 0.00 N ATOM 188 CA GLY A 12 -3.082 -8.532 -12.249 1.00 0.00 C ATOM 189 C GLY A 12 -2.944 -9.135 -13.642 1.00 0.00 C ATOM 190 O GLY A 12 -2.827 -8.477 -14.669 1.00 0.00 O ATOM 0 H GLY A 12 -3.120 -6.609 -13.125 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.321 -8.962 -11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.051 -8.809 -11.834 1.00 0.00 H new ATOM 194 N SER A 13 -2.981 -10.471 -13.527 1.00 0.00 N ATOM 195 CA SER A 13 -2.857 -11.439 -14.576 1.00 0.00 C ATOM 196 C SER A 13 -4.199 -12.171 -14.680 1.00 0.00 C ATOM 197 O SER A 13 -4.241 -13.276 -15.208 1.00 0.00 O ATOM 198 CB SER A 13 -1.783 -12.408 -14.005 1.00 0.00 C ATOM 199 OG SER A 13 -1.959 -12.898 -12.610 1.00 0.00 O ATOM 0 H SER A 13 -3.109 -10.916 -12.618 1.00 0.00 H new ATOM 0 HA SER A 13 -2.599 -11.035 -15.555 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.734 -13.277 -14.661 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.816 -11.908 -14.065 1.00 0.00 H new ATOM 0 HG SER A 13 -1.219 -13.497 -12.378 1.00 0.00 H new ATOM 205 N ASP A 14 -5.287 -11.545 -14.159 1.00 0.00 N ATOM 206 CA ASP A 14 -6.559 -12.235 -14.216 1.00 0.00 C ATOM 207 C ASP A 14 -7.634 -11.186 -13.924 1.00 0.00 C ATOM 208 O ASP A 14 -7.525 -10.414 -12.977 1.00 0.00 O ATOM 209 CB ASP A 14 -6.555 -13.382 -13.174 1.00 0.00 C ATOM 210 CG ASP A 14 -7.883 -14.161 -13.071 1.00 0.00 C ATOM 211 OD1 ASP A 14 -8.573 -14.307 -14.080 1.00 0.00 O ATOM 212 OD2 ASP A 14 -8.208 -14.619 -11.975 1.00 0.00 O ATOM 0 H ASP A 14 -5.295 -10.622 -13.725 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.751 -12.689 -15.188 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.758 -14.081 -13.426 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.317 -12.965 -12.195 1.00 0.00 H new ATOM 217 N CYS A 15 -8.683 -11.214 -14.794 1.00 0.00 N ATOM 218 CA CYS A 15 -9.787 -10.285 -14.603 1.00 0.00 C ATOM 219 C CYS A 15 -10.666 -10.935 -13.524 1.00 0.00 C ATOM 220 O CYS A 15 -11.208 -12.015 -13.727 1.00 0.00 O ATOM 221 CB CYS A 15 -10.544 -10.082 -15.924 1.00 0.00 C ATOM 222 SG CYS A 15 -11.123 -11.619 -16.690 1.00 0.00 S ATOM 0 H CYS A 15 -8.770 -11.844 -15.591 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.459 -9.292 -14.294 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.401 -9.434 -15.743 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.893 -9.561 -16.627 1.00 0.00 H new ATOM 0 HG CYS A 15 -11.358 -12.503 -15.766 1.00 0.00 H new ATOM 228 N HIS A 16 -10.744 -10.221 -12.369 1.00 0.00 N ATOM 229 CA HIS A 16 -11.520 -10.641 -11.202 1.00 0.00 C ATOM 230 C HIS A 16 -10.673 -11.702 -10.481 1.00 0.00 C ATOM 231 O HIS A 16 -10.002 -12.519 -11.098 1.00 0.00 O ATOM 232 CB HIS A 16 -12.945 -11.138 -11.549 1.00 0.00 C ATOM 233 CG HIS A 16 -13.743 -11.404 -10.292 1.00 0.00 C ATOM 234 ND1 HIS A 16 -14.428 -10.459 -9.614 1.00 0.00 N ATOM 235 CD2 HIS A 16 -13.911 -12.633 -9.630 1.00 0.00 C ATOM 236 CE1 HIS A 16 -14.993 -11.094 -8.572 1.00 0.00 C ATOM 237 NE2 HIS A 16 -14.699 -12.407 -8.556 1.00 0.00 N ATOM 0 H HIS A 16 -10.261 -9.333 -12.235 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.710 -9.788 -10.551 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.456 -10.393 -12.159 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.882 -12.049 -12.145 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.488 -13.582 -9.925 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.612 -10.606 -7.833 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.009 -13.095 -7.870 1.00 0.00 H new ATOM 245 N ALA A 17 -10.751 -11.612 -9.130 1.00 0.00 N ATOM 246 CA ALA A 17 -10.047 -12.503 -8.215 1.00 0.00 C ATOM 247 C ALA A 17 -8.556 -12.201 -8.385 1.00 0.00 C ATOM 248 O ALA A 17 -7.802 -12.975 -8.965 1.00 0.00 O ATOM 249 CB ALA A 17 -10.396 -13.985 -8.454 1.00 0.00 C ATOM 0 H ALA A 17 -11.314 -10.907 -8.655 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.353 -12.326 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.846 -14.607 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.466 -14.134 -8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.123 -14.264 -9.472 1.00 0.00 H new ATOM 255 N VAL A 18 -8.196 -11.024 -7.830 1.00 0.00 N ATOM 256 CA VAL A 18 -6.813 -10.550 -7.910 1.00 0.00 C ATOM 257 C VAL A 18 -6.539 -9.453 -6.853 1.00 0.00 C ATOM 258 O VAL A 18 -5.873 -8.469 -7.149 1.00 0.00 O ATOM 259 CB VAL A 18 -6.495 -9.978 -9.324 1.00 0.00 C ATOM 260 CG1 VAL A 18 -5.497 -10.967 -10.045 1.00 0.00 C ATOM 261 CG2 VAL A 18 -7.748 -9.137 -9.790 1.00 0.00 C ATOM 0 H VAL A 18 -8.834 -10.402 -7.334 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.170 -11.408 -7.716 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.840 -9.152 -9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.261 -10.585 -11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.581 -11.050 -9.460 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.960 -11.950 -10.135 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.559 -8.721 -10.779 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.625 -9.783 -9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.926 -8.327 -9.083 1.00 0.00 H new ATOM 271 N GLY A 19 -7.071 -9.659 -5.620 1.00 0.00 N ATOM 272 CA GLY A 19 -6.865 -8.696 -4.524 1.00 0.00 C ATOM 273 C GLY A 19 -8.038 -7.724 -4.322 1.00 0.00 C ATOM 274 O GLY A 19 -8.314 -7.248 -3.217 1.00 0.00 O ATOM 0 H GLY A 19 -7.635 -10.471 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.697 -9.245 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.960 -8.122 -4.723 1.00 0.00 H new ATOM 278 N ASN A 20 -8.733 -7.488 -5.467 1.00 0.00 N ATOM 279 CA ASN A 20 -9.913 -6.621 -5.557 1.00 0.00 C ATOM 280 C ASN A 20 -10.761 -6.929 -4.310 1.00 0.00 C ATOM 281 O ASN A 20 -11.161 -6.025 -3.572 1.00 0.00 O ATOM 282 CB ASN A 20 -10.658 -6.882 -6.881 1.00 0.00 C ATOM 283 CG ASN A 20 -11.846 -5.926 -7.054 1.00 0.00 C ATOM 284 OD1 ASN A 20 -12.998 -6.286 -6.846 1.00 0.00 O ATOM 285 ND2 ASN A 20 -11.483 -4.691 -7.447 1.00 0.00 N ATOM 0 H ASN A 20 -8.476 -7.907 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.659 -5.561 -5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -9.969 -6.763 -7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.012 -7.913 -6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.193 -3.973 -7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.498 -4.473 -7.599 1.00 0.00 H new ATOM 292 N LYS A 21 -10.861 -8.302 -4.188 1.00 0.00 N ATOM 293 CA LYS A 21 -11.400 -9.329 -3.284 1.00 0.00 C ATOM 294 C LYS A 21 -11.789 -8.655 -2.004 1.00 0.00 C ATOM 295 O LYS A 21 -11.371 -8.949 -0.889 1.00 0.00 O ATOM 296 CB LYS A 21 -10.323 -10.385 -2.979 1.00 0.00 C ATOM 297 CG LYS A 21 -9.927 -11.254 -4.174 1.00 0.00 C ATOM 298 CD LYS A 21 -8.855 -12.262 -3.743 1.00 0.00 C ATOM 299 CE LYS A 21 -8.545 -13.321 -4.797 1.00 0.00 C ATOM 300 NZ LYS A 21 -9.690 -14.166 -5.112 1.00 0.00 N ATOM 0 H LYS A 21 -10.434 -8.819 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.256 -9.819 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.433 -9.880 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.683 -11.032 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.801 -11.779 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.548 -10.628 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.939 -11.723 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.182 -12.758 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.202 -12.829 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.725 -13.947 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.383 -14.956 -5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.098 -14.540 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.407 -13.606 -5.615 1.00 0.00 H new ATOM 313 N ILE A 22 -12.656 -7.713 -2.331 1.00 0.00 N ATOM 314 CA ILE A 22 -13.307 -6.747 -1.536 1.00 0.00 C ATOM 315 C ILE A 22 -12.381 -6.400 -0.361 1.00 0.00 C ATOM 316 O ILE A 22 -12.714 -6.506 0.812 1.00 0.00 O ATOM 317 CB ILE A 22 -14.797 -7.112 -1.310 1.00 0.00 C ATOM 318 CG1 ILE A 22 -15.333 -8.420 -1.942 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.600 -5.774 -1.178 1.00 0.00 C ATOM 320 CD1 ILE A 22 -14.931 -9.814 -1.374 1.00 0.00 C ATOM 0 H ILE A 22 -12.943 -7.616 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.451 -5.781 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.003 -7.607 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -16.421 -8.366 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.042 -8.408 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.655 -5.997 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.218 -5.202 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.487 -5.190 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.413 -10.598 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -13.849 -9.932 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.249 -9.889 -0.334 1.00 0.00 H new ATOM 332 N LEU A 23 -11.151 -6.006 -0.796 1.00 0.00 N ATOM 333 CA LEU A 23 -10.154 -5.486 0.127 1.00 0.00 C ATOM 334 C LEU A 23 -10.750 -4.096 0.503 1.00 0.00 C ATOM 335 O LEU A 23 -10.522 -3.566 1.583 1.00 0.00 O ATOM 336 CB LEU A 23 -8.803 -5.519 -0.610 1.00 0.00 C ATOM 337 CG LEU A 23 -7.480 -5.211 0.143 1.00 0.00 C ATOM 338 CD1 LEU A 23 -6.362 -5.730 -0.846 1.00 0.00 C ATOM 339 CD2 LEU A 23 -7.702 -3.877 0.942 1.00 0.00 C ATOM 0 H LEU A 23 -10.848 -6.045 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.953 -6.029 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.700 -6.513 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.872 -4.813 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.059 -5.686 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.379 -5.559 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.499 -6.797 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.435 -5.193 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.793 -3.624 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.944 -3.073 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.523 -4.007 1.647 1.00 0.00 H new ATOM 351 N ASP A 24 -11.586 -3.545 -0.429 1.00 0.00 N ATOM 352 CA ASP A 24 -12.263 -2.303 -0.054 1.00 0.00 C ATOM 353 C ASP A 24 -13.248 -2.646 1.106 1.00 0.00 C ATOM 354 O ASP A 24 -13.677 -1.770 1.838 1.00 0.00 O ATOM 355 CB ASP A 24 -13.021 -1.662 -1.233 1.00 0.00 C ATOM 356 CG ASP A 24 -12.060 -1.017 -2.248 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.434 -0.014 -1.906 1.00 0.00 O ATOM 358 OD2 ASP A 24 -11.957 -1.514 -3.368 1.00 0.00 O ATOM 0 H ASP A 24 -11.785 -3.913 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.520 -1.569 0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.623 -2.421 -1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.710 -0.907 -0.855 1.00 0.00 H new ATOM 363 N HIS A 25 -13.567 -3.949 1.282 1.00 0.00 N ATOM 364 CA HIS A 25 -14.476 -4.355 2.357 1.00 0.00 C ATOM 365 C HIS A 25 -13.755 -4.143 3.695 1.00 0.00 C ATOM 366 O HIS A 25 -14.388 -3.967 4.724 1.00 0.00 O ATOM 367 CB HIS A 25 -14.989 -5.809 2.277 1.00 0.00 C ATOM 368 CG HIS A 25 -16.321 -5.913 2.984 1.00 0.00 C ATOM 369 ND1 HIS A 25 -16.464 -6.235 4.285 1.00 0.00 N ATOM 370 CD2 HIS A 25 -17.596 -5.683 2.442 1.00 0.00 C ATOM 371 CE1 HIS A 25 -17.785 -6.200 4.529 1.00 0.00 C ATOM 372 NE2 HIS A 25 -18.494 -5.871 3.435 1.00 0.00 N ATOM 0 H HIS A 25 -13.215 -4.713 0.705 1.00 0.00 H new ATOM 0 HA HIS A 25 -15.367 -3.736 2.255 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -15.094 -6.112 1.235 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -14.268 -6.486 2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -17.818 -5.407 1.422 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -18.226 -6.412 5.492 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -19.508 -5.781 3.368 1.00 0.00 H new ATOM 380 N SER A 26 -12.406 -4.165 3.608 1.00 0.00 N ATOM 381 CA SER A 26 -11.508 -3.971 4.745 1.00 0.00 C ATOM 382 C SER A 26 -11.828 -2.618 5.402 1.00 0.00 C ATOM 383 O SER A 26 -11.821 -2.468 6.622 1.00 0.00 O ATOM 384 CB SER A 26 -10.011 -4.075 4.338 1.00 0.00 C ATOM 385 OG SER A 26 -9.300 -2.883 3.810 1.00 0.00 O ATOM 0 H SER A 26 -11.914 -4.321 2.729 1.00 0.00 H new ATOM 0 HA SER A 26 -11.673 -4.772 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.460 -4.419 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.934 -4.859 3.584 1.00 0.00 H new ATOM 0 HG SER A 26 -8.403 -2.836 4.203 1.00 0.00 H new ATOM 391 N PHE A 27 -12.139 -1.658 4.500 1.00 0.00 N ATOM 392 CA PHE A 27 -12.495 -0.294 4.913 1.00 0.00 C ATOM 393 C PHE A 27 -13.652 -0.388 5.912 1.00 0.00 C ATOM 394 O PHE A 27 -13.627 0.176 6.992 1.00 0.00 O ATOM 395 CB PHE A 27 -12.745 0.677 3.705 1.00 0.00 C ATOM 396 CG PHE A 27 -14.176 1.040 3.319 1.00 0.00 C ATOM 397 CD1 PHE A 27 -15.059 1.627 4.226 1.00 0.00 C ATOM 398 CD2 PHE A 27 -14.643 0.821 2.024 1.00 0.00 C ATOM 399 CE1 PHE A 27 -16.362 1.947 3.869 1.00 0.00 C ATOM 400 CE2 PHE A 27 -15.947 1.136 1.655 1.00 0.00 C ATOM 401 CZ PHE A 27 -16.811 1.700 2.581 1.00 0.00 C ATOM 0 H PHE A 27 -12.149 -1.808 3.491 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.648 0.174 5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -12.218 1.607 3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -12.271 0.236 2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.721 1.837 5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.976 0.396 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.027 2.389 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.286 0.941 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.825 1.945 2.301 1.00 0.00 H new ATOM 411 N THR A 28 -14.640 -1.167 5.465 1.00 0.00 N ATOM 412 CA THR A 28 -15.895 -1.389 6.158 1.00 0.00 C ATOM 413 C THR A 28 -15.741 -2.259 7.400 1.00 0.00 C ATOM 414 O THR A 28 -16.550 -2.222 8.319 1.00 0.00 O ATOM 415 CB THR A 28 -16.854 -1.980 5.080 1.00 0.00 C ATOM 416 OG1 THR A 28 -16.556 -1.696 3.670 1.00 0.00 O ATOM 417 CG2 THR A 28 -18.335 -1.730 5.450 1.00 0.00 C ATOM 0 H THR A 28 -14.579 -1.673 4.582 1.00 0.00 H new ATOM 0 HA THR A 28 -16.302 -0.465 6.569 1.00 0.00 H new ATOM 0 HB THR A 28 -16.651 -3.050 5.123 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.616 -0.731 3.511 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.979 -2.154 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.556 -2.202 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.515 -0.658 5.525 1.00 0.00 H new ATOM 425 N ASN A 29 -14.661 -3.021 7.359 1.00 0.00 N ATOM 426 CA ASN A 29 -14.278 -3.959 8.376 1.00 0.00 C ATOM 427 C ASN A 29 -13.580 -3.205 9.496 1.00 0.00 C ATOM 428 O ASN A 29 -13.176 -3.829 10.471 1.00 0.00 O ATOM 429 CB ASN A 29 -13.428 -5.139 7.856 1.00 0.00 C ATOM 430 CG ASN A 29 -14.237 -6.054 6.924 1.00 0.00 C ATOM 431 OD1 ASN A 29 -15.443 -6.209 7.065 1.00 0.00 O ATOM 432 ND2 ASN A 29 -13.494 -6.653 5.975 1.00 0.00 N ATOM 0 H ASN A 29 -14.005 -2.994 6.578 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.186 -4.430 8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.558 -4.754 7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.054 -5.718 8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.933 -7.288 5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.492 -6.472 5.922 1.00 0.00 H new ATOM 439 N ALA A 30 -13.449 -1.863 9.352 1.00 0.00 N ATOM 440 CA ALA A 30 -12.831 -1.129 10.417 1.00 0.00 C ATOM 441 C ALA A 30 -13.520 0.236 10.510 1.00 0.00 C ATOM 442 O ALA A 30 -13.029 1.127 11.192 1.00 0.00 O ATOM 443 CB ALA A 30 -11.317 -1.082 10.218 1.00 0.00 C ATOM 0 H ALA A 30 -13.753 -1.316 8.546 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.962 -1.616 11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.860 -0.522 11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.920 -2.097 10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.090 -0.594 9.270 1.00 0.00 H new ATOM 449 N GLY A 31 -14.681 0.358 9.813 1.00 0.00 N ATOM 450 CA GLY A 31 -15.466 1.588 9.807 1.00 0.00 C ATOM 451 C GLY A 31 -14.637 2.829 9.443 1.00 0.00 C ATOM 452 O GLY A 31 -14.838 3.910 9.983 1.00 0.00 O ATOM 0 H GLY A 31 -15.082 -0.393 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.286 1.485 9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.912 1.732 10.791 1.00 0.00 H new ATOM 456 N PHE A 32 -13.711 2.592 8.487 1.00 0.00 N ATOM 457 CA PHE A 32 -12.827 3.672 8.052 1.00 0.00 C ATOM 458 C PHE A 32 -13.394 4.233 6.735 1.00 0.00 C ATOM 459 O PHE A 32 -14.524 3.963 6.348 1.00 0.00 O ATOM 460 CB PHE A 32 -11.381 3.149 7.943 1.00 0.00 C ATOM 461 CG PHE A 32 -10.722 2.798 9.260 1.00 0.00 C ATOM 462 CD1 PHE A 32 -10.998 3.468 10.454 1.00 0.00 C ATOM 463 CD2 PHE A 32 -9.778 1.779 9.285 1.00 0.00 C ATOM 464 CE1 PHE A 32 -10.346 3.128 11.632 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.130 1.433 10.461 1.00 0.00 C ATOM 466 CZ PHE A 32 -9.409 2.107 11.638 1.00 0.00 C ATOM 0 H PHE A 32 -13.566 1.695 8.023 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.787 4.489 8.772 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.379 2.264 7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.775 3.904 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.730 4.262 10.461 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.545 1.248 8.374 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.569 3.660 12.545 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.404 0.634 10.459 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.901 1.839 12.553 1.00 0.00 H new ATOM 476 N ASN A 33 -12.529 5.063 6.099 1.00 0.00 N ATOM 477 CA ASN A 33 -12.839 5.772 4.872 1.00 0.00 C ATOM 478 C ASN A 33 -12.345 4.918 3.704 1.00 0.00 C ATOM 479 O ASN A 33 -11.263 4.337 3.701 1.00 0.00 O ATOM 480 CB ASN A 33 -12.152 7.151 4.883 1.00 0.00 C ATOM 481 CG ASN A 33 -12.630 8.040 3.725 1.00 0.00 C ATOM 482 OD1 ASN A 33 -11.780 8.068 2.682 1.00 0.00 O flip ATOM 483 ND2 ASN A 33 -13.690 8.652 3.780 1.00 0.00 N flip ATOM 0 H ASN A 33 -11.587 5.248 6.445 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.912 5.938 4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.355 7.650 5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.072 7.019 4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.279 8.578 4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.983 9.236 2.997 1.00 0.00 H new ATOM 490 N VAL A 34 -13.237 4.959 2.693 1.00 0.00 N ATOM 491 CA VAL A 34 -13.060 4.244 1.444 1.00 0.00 C ATOM 492 C VAL A 34 -12.538 5.215 0.387 1.00 0.00 C ATOM 493 O VAL A 34 -13.084 6.279 0.123 1.00 0.00 O ATOM 494 CB VAL A 34 -14.382 3.620 0.916 1.00 0.00 C ATOM 495 CG1 VAL A 34 -15.592 4.573 1.294 1.00 0.00 C ATOM 496 CG2 VAL A 34 -13.966 2.796 -0.379 1.00 0.00 C ATOM 0 H VAL A 34 -14.102 5.498 2.736 1.00 0.00 H new ATOM 0 HA VAL A 34 -12.357 3.433 1.634 1.00 0.00 H new ATOM 0 HB VAL A 34 -14.975 2.798 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.523 4.142 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.645 4.682 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.441 5.551 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -14.849 2.325 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -13.521 3.469 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.242 2.028 -0.105 1.00 0.00 H new ATOM 506 N VAL A 35 -11.431 4.719 -0.181 1.00 0.00 N ATOM 507 CA VAL A 35 -10.732 5.352 -1.275 1.00 0.00 C ATOM 508 C VAL A 35 -10.314 4.190 -2.185 1.00 0.00 C ATOM 509 O VAL A 35 -10.017 3.094 -1.725 1.00 0.00 O ATOM 510 CB VAL A 35 -9.530 6.220 -0.778 1.00 0.00 C ATOM 511 CG1 VAL A 35 -9.080 7.189 -1.916 1.00 0.00 C ATOM 512 CG2 VAL A 35 -9.136 6.504 0.693 1.00 0.00 C ATOM 0 H VAL A 35 -10.998 3.847 0.124 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.354 6.067 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.826 5.445 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.242 7.794 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.773 6.610 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.910 7.841 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.253 7.142 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.960 7.006 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.918 5.564 1.199 1.00 0.00 H new ATOM 522 N ASN A 36 -10.350 4.482 -3.490 1.00 0.00 N ATOM 523 CA ASN A 36 -9.965 3.493 -4.479 1.00 0.00 C ATOM 524 C ASN A 36 -9.643 4.287 -5.749 1.00 0.00 C ATOM 525 O ASN A 36 -10.356 5.205 -6.137 1.00 0.00 O ATOM 526 CB ASN A 36 -11.069 2.437 -4.686 1.00 0.00 C ATOM 527 CG ASN A 36 -12.440 3.060 -5.001 1.00 0.00 C ATOM 528 OD1 ASN A 36 -13.207 3.409 -4.112 1.00 0.00 O ATOM 529 ND2 ASN A 36 -12.692 3.166 -6.319 1.00 0.00 N ATOM 0 H ASN A 36 -10.638 5.383 -3.873 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.098 2.914 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.781 1.773 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.151 1.824 -3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.576 3.561 -6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -11.999 2.851 -6.998 1.00 0.00 H new ATOM 536 N ILE A 37 -8.512 3.867 -6.355 1.00 0.00 N ATOM 537 CA ILE A 37 -8.022 4.464 -7.587 1.00 0.00 C ATOM 538 C ILE A 37 -8.682 3.639 -8.697 1.00 0.00 C ATOM 539 O ILE A 37 -9.530 4.113 -9.443 1.00 0.00 O ATOM 540 CB ILE A 37 -6.454 4.407 -7.659 1.00 0.00 C ATOM 541 CG1 ILE A 37 -5.692 4.674 -6.346 1.00 0.00 C ATOM 542 CG2 ILE A 37 -5.994 4.702 -9.123 1.00 0.00 C ATOM 543 CD1 ILE A 37 -4.145 4.690 -6.437 1.00 0.00 C ATOM 0 H ILE A 37 -7.928 3.111 -5.998 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.270 5.522 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.948 3.446 -7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.021 5.635 -5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.984 3.914 -5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.906 4.663 -9.177 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.418 3.955 -9.795 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.337 5.693 -9.419 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.725 4.887 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.792 3.723 -6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.829 5.471 -7.129 1.00 0.00 H new ATOM 555 N GLY A 38 -8.214 2.373 -8.737 1.00 0.00 N ATOM 556 CA GLY A 38 -8.666 1.393 -9.710 1.00 0.00 C ATOM 557 C GLY A 38 -7.454 0.591 -10.185 1.00 0.00 C ATOM 558 O GLY A 38 -6.522 0.344 -9.430 1.00 0.00 O ATOM 0 H GLY A 38 -7.512 2.015 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.408 0.731 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.147 1.889 -10.553 1.00 0.00 H new ATOM 562 N VAL A 39 -7.520 0.218 -11.484 1.00 0.00 N ATOM 563 CA VAL A 39 -6.447 -0.556 -12.111 1.00 0.00 C ATOM 564 C VAL A 39 -5.415 0.472 -12.640 1.00 0.00 C ATOM 565 O VAL A 39 -5.489 0.903 -13.784 1.00 0.00 O ATOM 566 CB VAL A 39 -7.048 -1.403 -13.318 1.00 0.00 C ATOM 567 CG1 VAL A 39 -6.484 -2.459 -14.357 1.00 0.00 C ATOM 568 CG2 VAL A 39 -8.404 -1.978 -12.846 1.00 0.00 C ATOM 0 H VAL A 39 -8.299 0.442 -12.104 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.982 -1.247 -11.408 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.813 -0.574 -13.986 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.287 -2.781 -15.020 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.689 -2.001 -14.946 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.088 -3.321 -13.821 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.849 -2.567 -13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.246 -2.613 -11.974 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.074 -1.160 -12.582 1.00 0.00 H new ATOM 578 N LEU A 40 -4.460 0.821 -11.746 1.00 0.00 N ATOM 579 CA LEU A 40 -3.455 1.805 -12.120 1.00 0.00 C ATOM 580 C LEU A 40 -2.351 1.660 -11.061 1.00 0.00 C ATOM 581 O LEU A 40 -2.580 1.848 -9.872 1.00 0.00 O ATOM 582 CB LEU A 40 -4.139 3.199 -12.136 1.00 0.00 C ATOM 583 CG LEU A 40 -3.351 4.431 -12.642 1.00 0.00 C ATOM 584 CD1 LEU A 40 -2.292 3.948 -13.701 1.00 0.00 C ATOM 585 CD2 LEU A 40 -4.433 5.582 -12.608 1.00 0.00 C ATOM 0 H LEU A 40 -4.376 0.446 -10.801 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.019 1.670 -13.110 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.038 3.114 -12.746 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.463 3.415 -11.118 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.561 4.999 -12.150 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.727 4.805 -14.068 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.610 3.237 -13.235 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.804 3.467 -14.534 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.983 6.514 -12.950 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.265 5.319 -13.262 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.798 5.708 -11.589 1.00 0.00 H new ATOM 597 N SER A 41 -1.143 1.317 -11.579 1.00 0.00 N ATOM 598 CA SER A 41 0.046 1.117 -10.755 1.00 0.00 C ATOM 599 C SER A 41 0.872 2.414 -10.813 1.00 0.00 C ATOM 600 O SER A 41 2.096 2.388 -10.844 1.00 0.00 O ATOM 601 CB SER A 41 0.853 -0.113 -11.287 1.00 0.00 C ATOM 602 OG SER A 41 2.255 -0.368 -10.868 1.00 0.00 O ATOM 0 H SER A 41 -0.981 1.175 -12.576 1.00 0.00 H new ATOM 0 HA SER A 41 -0.216 0.904 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.279 -1.003 -11.028 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.857 -0.042 -12.375 1.00 0.00 H new ATOM 0 HG SER A 41 2.737 0.483 -10.802 1.00 0.00 H new ATOM 608 N SER A 42 0.139 3.548 -10.835 1.00 0.00 N ATOM 609 CA SER A 42 0.754 4.864 -10.847 1.00 0.00 C ATOM 610 C SER A 42 0.882 5.198 -9.359 1.00 0.00 C ATOM 611 O SER A 42 -0.060 5.645 -8.716 1.00 0.00 O ATOM 612 CB SER A 42 -0.223 5.844 -11.542 1.00 0.00 C ATOM 613 OG SER A 42 -1.586 6.000 -10.976 1.00 0.00 O ATOM 0 H SER A 42 -0.881 3.563 -10.845 1.00 0.00 H new ATOM 0 HA SER A 42 1.709 4.918 -11.370 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.246 6.828 -11.554 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.328 5.528 -12.580 1.00 0.00 H new ATOM 0 HG SER A 42 -1.542 5.948 -9.998 1.00 0.00 H new ATOM 619 N GLN A 43 2.106 4.951 -8.861 1.00 0.00 N ATOM 620 CA GLN A 43 2.374 5.143 -7.450 1.00 0.00 C ATOM 621 C GLN A 43 2.683 6.623 -7.198 1.00 0.00 C ATOM 622 O GLN A 43 2.033 7.268 -6.387 1.00 0.00 O ATOM 623 CB GLN A 43 3.518 4.188 -7.047 1.00 0.00 C ATOM 624 CG GLN A 43 3.737 4.036 -5.533 1.00 0.00 C ATOM 625 CD GLN A 43 2.481 3.510 -4.829 1.00 0.00 C ATOM 626 OE1 GLN A 43 1.807 4.225 -4.102 1.00 0.00 O ATOM 627 NE2 GLN A 43 2.215 2.219 -5.101 1.00 0.00 N ATOM 0 H GLN A 43 2.901 4.625 -9.411 1.00 0.00 H new ATOM 0 HA GLN A 43 1.513 4.899 -6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.315 3.204 -7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.444 4.544 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.568 3.354 -5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.016 5.000 -5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.830 1.691 -5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.398 1.769 -4.688 1.00 0.00 H new ATOM 636 N GLU A 44 3.690 7.122 -7.945 1.00 0.00 N ATOM 637 CA GLU A 44 4.182 8.487 -7.814 1.00 0.00 C ATOM 638 C GLU A 44 3.109 9.517 -8.213 1.00 0.00 C ATOM 639 O GLU A 44 3.204 10.673 -7.820 1.00 0.00 O ATOM 640 CB GLU A 44 5.460 8.655 -8.662 1.00 0.00 C ATOM 641 CG GLU A 44 5.226 8.457 -10.172 1.00 0.00 C ATOM 642 CD GLU A 44 6.548 8.575 -10.948 1.00 0.00 C ATOM 643 OE1 GLU A 44 6.911 9.688 -11.330 1.00 0.00 O ATOM 644 OE2 GLU A 44 7.200 7.554 -11.163 1.00 0.00 O ATOM 0 H GLU A 44 4.179 6.578 -8.656 1.00 0.00 H new ATOM 0 HA GLU A 44 4.422 8.672 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.870 9.651 -8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.209 7.940 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.780 7.479 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.518 9.201 -10.536 1.00 0.00 H new ATOM 651 N ASP A 45 2.093 9.092 -8.993 1.00 0.00 N ATOM 652 CA ASP A 45 1.090 10.062 -9.414 1.00 0.00 C ATOM 653 C ASP A 45 0.017 10.131 -8.343 1.00 0.00 C ATOM 654 O ASP A 45 -0.500 11.207 -8.064 1.00 0.00 O ATOM 655 CB ASP A 45 0.497 9.680 -10.783 1.00 0.00 C ATOM 656 CG ASP A 45 1.599 9.625 -11.859 1.00 0.00 C ATOM 657 OD1 ASP A 45 1.862 10.651 -12.485 1.00 0.00 O ATOM 658 OD2 ASP A 45 2.183 8.560 -12.059 1.00 0.00 O ATOM 0 H ASP A 45 1.957 8.137 -9.323 1.00 0.00 H new ATOM 0 HA ASP A 45 1.547 11.044 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.002 8.711 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.263 10.406 -11.071 1.00 0.00 H new ATOM 663 N PHE A 46 -0.296 8.958 -7.750 1.00 0.00 N ATOM 664 CA PHE A 46 -1.324 8.965 -6.723 1.00 0.00 C ATOM 665 C PHE A 46 -0.657 9.208 -5.364 1.00 0.00 C ATOM 666 O PHE A 46 -1.305 9.082 -4.333 1.00 0.00 O ATOM 667 CB PHE A 46 -2.259 7.751 -6.833 1.00 0.00 C ATOM 668 CG PHE A 46 -3.400 8.034 -7.786 1.00 0.00 C ATOM 669 CD1 PHE A 46 -3.169 8.430 -9.103 1.00 0.00 C ATOM 670 CD2 PHE A 46 -4.718 7.909 -7.354 1.00 0.00 C ATOM 671 CE1 PHE A 46 -4.225 8.659 -9.973 1.00 0.00 C ATOM 672 CE2 PHE A 46 -5.778 8.143 -8.219 1.00 0.00 C ATOM 673 CZ PHE A 46 -5.532 8.516 -9.532 1.00 0.00 C ATOM 0 H PHE A 46 0.126 8.053 -7.957 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.019 9.793 -6.864 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.697 6.884 -7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.655 7.501 -5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.155 8.560 -9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.918 7.626 -6.331 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.029 8.949 -10.995 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.794 8.035 -7.870 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.355 8.694 -10.208 1.00 0.00 H new ATOM 683 N ILE A 47 0.652 9.573 -5.403 1.00 0.00 N ATOM 684 CA ILE A 47 1.352 9.946 -4.183 1.00 0.00 C ATOM 685 C ILE A 47 1.018 11.443 -4.059 1.00 0.00 C ATOM 686 O ILE A 47 0.866 11.973 -2.965 1.00 0.00 O ATOM 687 CB ILE A 47 2.882 9.599 -4.207 1.00 0.00 C ATOM 688 CG1 ILE A 47 3.310 8.461 -3.251 1.00 0.00 C ATOM 689 CG2 ILE A 47 3.741 10.805 -4.705 1.00 0.00 C ATOM 690 CD1 ILE A 47 2.516 7.139 -3.333 1.00 0.00 C ATOM 0 H ILE A 47 1.217 9.611 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 47 1.037 9.383 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 47 3.256 8.951 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.360 8.237 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.242 8.834 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.794 10.525 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.436 11.077 -5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.593 11.656 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.918 6.428 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.467 7.330 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.602 6.725 -4.337 1.00 0.00 H new ATOM 702 N ASN A 48 0.876 12.073 -5.265 1.00 0.00 N ATOM 703 CA ASN A 48 0.505 13.474 -5.323 1.00 0.00 C ATOM 704 C ASN A 48 -0.999 13.546 -4.952 1.00 0.00 C ATOM 705 O ASN A 48 -1.468 14.562 -4.451 1.00 0.00 O ATOM 706 CB ASN A 48 0.799 14.038 -6.726 1.00 0.00 C ATOM 707 CG ASN A 48 0.540 15.552 -6.790 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.454 16.012 -7.338 1.00 0.00 O ATOM 709 ND2 ASN A 48 1.499 16.284 -6.195 1.00 0.00 N ATOM 0 H ASN A 48 1.014 11.626 -6.171 1.00 0.00 H new ATOM 0 HA ASN A 48 1.081 14.084 -4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.836 13.834 -6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.176 13.530 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.428 17.301 -6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.297 15.822 -5.760 1.00 0.00 H new ATOM 716 N ALA A 49 -1.723 12.422 -5.208 1.00 0.00 N ATOM 717 CA ALA A 49 -3.142 12.362 -4.892 1.00 0.00 C ATOM 718 C ALA A 49 -3.293 11.852 -3.451 1.00 0.00 C ATOM 719 O ALA A 49 -4.401 11.836 -2.943 1.00 0.00 O ATOM 720 CB ALA A 49 -3.904 11.437 -5.854 1.00 0.00 C ATOM 0 H ALA A 49 -1.341 11.573 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.568 13.360 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.960 11.421 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.797 11.805 -6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.497 10.428 -5.788 1.00 0.00 H new ATOM 726 N ALA A 50 -2.174 11.431 -2.813 1.00 0.00 N ATOM 727 CA ALA A 50 -2.221 10.938 -1.440 1.00 0.00 C ATOM 728 C ALA A 50 -2.042 12.137 -0.510 1.00 0.00 C ATOM 729 O ALA A 50 -2.210 12.000 0.693 1.00 0.00 O ATOM 730 CB ALA A 50 -1.137 9.876 -1.204 1.00 0.00 C ATOM 0 H ALA A 50 -1.244 11.428 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.178 10.456 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.191 9.523 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.294 9.038 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.155 10.312 -1.387 1.00 0.00 H new ATOM 736 N ILE A 51 -1.686 13.303 -1.093 1.00 0.00 N ATOM 737 CA ILE A 51 -1.562 14.518 -0.298 1.00 0.00 C ATOM 738 C ILE A 51 -3.002 15.059 -0.215 1.00 0.00 C ATOM 739 O ILE A 51 -3.473 15.502 0.826 1.00 0.00 O ATOM 740 CB ILE A 51 -0.602 15.547 -0.983 1.00 0.00 C ATOM 741 CG1 ILE A 51 0.547 14.960 -1.823 1.00 0.00 C ATOM 742 CG2 ILE A 51 -0.633 16.892 -0.186 1.00 0.00 C ATOM 743 CD1 ILE A 51 1.533 15.972 -2.446 1.00 0.00 C ATOM 0 H ILE A 51 -1.486 13.416 -2.087 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.132 14.333 0.686 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.874 15.976 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.114 14.275 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.113 14.367 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.035 17.611 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.648 17.288 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.307 16.715 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.295 15.436 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.992 16.645 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.009 16.550 -1.654 1.00 0.00 H new ATOM 755 N GLU A 52 -3.655 14.957 -1.398 1.00 0.00 N ATOM 756 CA GLU A 52 -5.017 15.384 -1.643 1.00 0.00 C ATOM 757 C GLU A 52 -5.960 14.585 -0.728 1.00 0.00 C ATOM 758 O GLU A 52 -6.705 15.165 0.053 1.00 0.00 O ATOM 759 CB GLU A 52 -5.342 15.186 -3.137 1.00 0.00 C ATOM 760 CG GLU A 52 -6.798 15.518 -3.496 1.00 0.00 C ATOM 761 CD GLU A 52 -7.007 15.459 -5.019 1.00 0.00 C ATOM 762 OE1 GLU A 52 -7.173 14.361 -5.549 1.00 0.00 O ATOM 763 OE2 GLU A 52 -7.002 16.511 -5.659 1.00 0.00 O ATOM 0 H GLU A 52 -3.214 14.557 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.148 16.441 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.677 15.813 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.135 14.152 -3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.469 14.814 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.052 16.512 -3.127 1.00 0.00 H new ATOM 770 N THR A 53 -5.892 13.237 -0.866 1.00 0.00 N ATOM 771 CA THR A 53 -6.741 12.343 -0.101 1.00 0.00 C ATOM 772 C THR A 53 -6.361 12.483 1.369 1.00 0.00 C ATOM 773 O THR A 53 -7.185 12.754 2.233 1.00 0.00 O ATOM 774 CB THR A 53 -6.651 10.825 -0.534 1.00 0.00 C ATOM 775 OG1 THR A 53 -6.261 10.427 -1.887 1.00 0.00 O ATOM 776 CG2 THR A 53 -7.948 10.091 -0.116 1.00 0.00 C ATOM 0 H THR A 53 -5.252 12.764 -1.504 1.00 0.00 H new ATOM 0 HA THR A 53 -7.774 12.635 -0.290 1.00 0.00 H new ATOM 0 HB THR A 53 -5.756 10.520 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.340 10.713 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.886 9.044 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.069 10.153 0.965 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.804 10.558 -0.604 1.00 0.00 H new ATOM 784 N LYS A 54 -5.047 12.261 1.543 1.00 0.00 N ATOM 785 CA LYS A 54 -4.370 12.265 2.832 1.00 0.00 C ATOM 786 C LYS A 54 -4.470 10.799 3.283 1.00 0.00 C ATOM 787 O LYS A 54 -4.935 10.469 4.367 1.00 0.00 O ATOM 788 CB LYS A 54 -4.919 13.296 3.841 1.00 0.00 C ATOM 789 CG LYS A 54 -3.946 13.554 4.996 1.00 0.00 C ATOM 790 CD LYS A 54 -4.377 14.724 5.888 1.00 0.00 C ATOM 791 CE LYS A 54 -3.384 14.994 7.025 1.00 0.00 C ATOM 792 NZ LYS A 54 -2.084 15.447 6.545 1.00 0.00 N ATOM 0 H LYS A 54 -4.418 12.069 0.764 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.336 12.602 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.123 14.234 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.868 12.940 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.863 12.652 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.955 13.758 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.480 15.622 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.359 14.512 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.801 15.746 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.253 14.084 7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.351 14.770 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.101 15.512 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.872 16.382 6.947 1.00 0.00 H new ATOM 805 N ALA A 55 -3.996 9.958 2.328 1.00 0.00 N ATOM 806 CA ALA A 55 -3.975 8.515 2.427 1.00 0.00 C ATOM 807 C ALA A 55 -3.052 8.152 3.588 1.00 0.00 C ATOM 808 O ALA A 55 -1.902 8.566 3.650 1.00 0.00 O ATOM 809 CB ALA A 55 -3.476 7.901 1.114 1.00 0.00 C ATOM 0 H ALA A 55 -3.610 10.299 1.447 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.976 8.122 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.465 6.815 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.140 8.193 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.468 8.259 0.905 1.00 0.00 H new ATOM 815 N ASP A 56 -3.641 7.341 4.491 1.00 0.00 N ATOM 816 CA ASP A 56 -2.932 6.899 5.677 1.00 0.00 C ATOM 817 C ASP A 56 -2.182 5.615 5.305 1.00 0.00 C ATOM 818 O ASP A 56 -1.106 5.349 5.828 1.00 0.00 O ATOM 819 CB ASP A 56 -3.952 6.748 6.814 1.00 0.00 C ATOM 820 CG ASP A 56 -3.311 6.379 8.166 1.00 0.00 C ATOM 821 OD1 ASP A 56 -2.360 7.047 8.572 1.00 0.00 O ATOM 822 OD2 ASP A 56 -3.779 5.440 8.805 1.00 0.00 O ATOM 0 H ASP A 56 -4.595 6.990 4.410 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.186 7.608 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.503 7.682 6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.677 5.981 6.542 1.00 0.00 H new ATOM 827 N LEU A 57 -2.792 4.846 4.374 1.00 0.00 N ATOM 828 CA LEU A 57 -2.153 3.619 3.937 1.00 0.00 C ATOM 829 C LEU A 57 -2.743 3.301 2.566 1.00 0.00 C ATOM 830 O LEU A 57 -3.852 3.696 2.222 1.00 0.00 O ATOM 831 CB LEU A 57 -2.348 2.472 4.951 1.00 0.00 C ATOM 832 CG LEU A 57 -3.837 2.120 5.249 1.00 0.00 C ATOM 833 CD1 LEU A 57 -4.269 0.884 4.403 1.00 0.00 C ATOM 834 CD2 LEU A 57 -4.491 2.550 6.579 1.00 0.00 C ATOM 0 H LEU A 57 -3.689 5.055 3.936 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.072 3.739 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.846 1.581 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.858 2.743 5.886 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.521 2.896 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.311 0.643 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.159 1.112 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.640 0.031 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.528 2.214 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.948 2.104 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.460 3.636 6.665 1.00 0.00 H new ATOM 846 N ILE A 58 -1.900 2.558 1.814 1.00 0.00 N ATOM 847 CA ILE A 58 -2.258 2.125 0.473 1.00 0.00 C ATOM 848 C ILE A 58 -2.350 0.603 0.547 1.00 0.00 C ATOM 849 O ILE A 58 -1.902 -0.041 1.489 1.00 0.00 O ATOM 850 CB ILE A 58 -1.233 2.640 -0.591 1.00 0.00 C ATOM 851 CG1 ILE A 58 -1.564 4.025 -1.225 1.00 0.00 C ATOM 852 CG2 ILE A 58 -0.089 1.607 -0.874 1.00 0.00 C ATOM 853 CD1 ILE A 58 -0.590 4.527 -2.313 1.00 0.00 C ATOM 0 H ILE A 58 -0.976 2.255 2.123 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.209 2.543 0.144 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.459 3.202 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.563 3.974 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.599 4.767 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.594 2.015 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.457 1.408 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.521 0.679 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.923 5.498 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.410 4.621 -1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.569 3.816 -3.139 1.00 0.00 H new ATOM 865 N CYS A 59 -2.965 0.097 -0.536 1.00 0.00 N ATOM 866 CA CYS A 59 -3.159 -1.324 -0.715 1.00 0.00 C ATOM 867 C CYS A 59 -3.222 -1.500 -2.231 1.00 0.00 C ATOM 868 O CYS A 59 -4.231 -1.229 -2.861 1.00 0.00 O ATOM 869 CB CYS A 59 -4.453 -1.810 -0.030 1.00 0.00 C ATOM 870 SG CYS A 59 -4.388 -1.731 1.779 1.00 0.00 S ATOM 0 H CYS A 59 -3.333 0.668 -1.297 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.363 -1.914 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.290 -1.206 -0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.651 -2.838 -0.334 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.360 -1.025 2.146 1.00 0.00 H new ATOM 876 N VAL A 60 -2.074 -1.945 -2.779 1.00 0.00 N ATOM 877 CA VAL A 60 -1.969 -2.223 -4.203 1.00 0.00 C ATOM 878 C VAL A 60 -1.967 -3.739 -4.249 1.00 0.00 C ATOM 879 O VAL A 60 -1.318 -4.388 -3.435 1.00 0.00 O ATOM 880 CB VAL A 60 -0.680 -1.600 -4.833 1.00 0.00 C ATOM 881 CG1 VAL A 60 -0.788 -0.046 -4.771 1.00 0.00 C ATOM 882 CG2 VAL A 60 0.658 -2.337 -5.139 1.00 0.00 C ATOM 0 H VAL A 60 -1.218 -2.115 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.777 -1.783 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.545 -2.091 -5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.106 0.399 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.665 0.280 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.880 0.271 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.368 -1.635 -5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.070 -2.742 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.473 -3.151 -5.841 1.00 0.00 H new ATOM 892 N SER A 61 -2.728 -4.264 -5.227 1.00 0.00 N ATOM 893 CA SER A 61 -2.831 -5.697 -5.309 1.00 0.00 C ATOM 894 C SER A 61 -1.861 -6.073 -6.399 1.00 0.00 C ATOM 895 O SER A 61 -1.953 -5.547 -7.498 1.00 0.00 O ATOM 896 CB SER A 61 -4.286 -6.073 -5.690 1.00 0.00 C ATOM 897 OG SER A 61 -5.409 -5.360 -5.029 1.00 0.00 O ATOM 0 H SER A 61 -3.248 -3.735 -5.928 1.00 0.00 H new ATOM 0 HA SER A 61 -2.603 -6.212 -4.376 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.392 -5.930 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.412 -7.138 -5.496 1.00 0.00 H new ATOM 0 HG SER A 61 -5.311 -4.395 -5.169 1.00 0.00 H new ATOM 903 N SER A 62 -0.933 -6.997 -6.061 1.00 0.00 N ATOM 904 CA SER A 62 0.013 -7.315 -7.111 1.00 0.00 C ATOM 905 C SER A 62 0.595 -8.685 -6.803 1.00 0.00 C ATOM 906 O SER A 62 0.337 -9.304 -5.780 1.00 0.00 O ATOM 907 CB SER A 62 1.126 -6.218 -7.107 1.00 0.00 C ATOM 908 OG SER A 62 2.360 -6.385 -7.907 1.00 0.00 O ATOM 0 H SER A 62 -0.832 -7.480 -5.168 1.00 0.00 H new ATOM 0 HA SER A 62 -0.455 -7.336 -8.095 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.659 -5.287 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.433 -6.078 -6.071 1.00 0.00 H new ATOM 0 HG SER A 62 3.121 -6.532 -7.307 1.00 0.00 H new ATOM 914 N LEU A 63 1.415 -9.093 -7.797 1.00 0.00 N ATOM 915 CA LEU A 63 2.097 -10.357 -7.803 1.00 0.00 C ATOM 916 C LEU A 63 3.384 -10.154 -8.622 1.00 0.00 C ATOM 917 O LEU A 63 3.710 -10.937 -9.507 1.00 0.00 O ATOM 918 CB LEU A 63 1.176 -11.450 -8.380 1.00 0.00 C ATOM 919 CG LEU A 63 0.713 -11.202 -9.859 1.00 0.00 C ATOM 920 CD1 LEU A 63 0.891 -12.516 -10.677 1.00 0.00 C ATOM 921 CD2 LEU A 63 -0.241 -10.061 -10.291 1.00 0.00 C ATOM 0 H LEU A 63 1.609 -8.525 -8.622 1.00 0.00 H new ATOM 0 HA LEU A 63 2.359 -10.694 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.696 -12.407 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.293 -11.534 -7.746 1.00 0.00 H new ATOM 0 HG LEU A 63 1.333 -10.408 -10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.571 -12.350 -11.706 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.940 -12.812 -10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.287 -13.306 -10.232 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.402 -10.110 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.195 -10.170 -9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.202 -9.099 -10.034 1.00 0.00 H new ATOM 933 N TYR A 64 4.089 -9.053 -8.266 1.00 0.00 N ATOM 934 CA TYR A 64 5.348 -8.648 -8.884 1.00 0.00 C ATOM 935 C TYR A 64 5.015 -8.105 -10.293 1.00 0.00 C ATOM 936 O TYR A 64 5.788 -8.248 -11.234 1.00 0.00 O ATOM 937 CB TYR A 64 6.394 -9.788 -8.871 1.00 0.00 C ATOM 938 CG TYR A 64 7.838 -9.336 -8.822 1.00 0.00 C ATOM 939 CD1 TYR A 64 8.250 -8.071 -9.237 1.00 0.00 C ATOM 940 CD2 TYR A 64 8.801 -10.215 -8.339 1.00 0.00 C ATOM 941 CE1 TYR A 64 9.582 -7.691 -9.167 1.00 0.00 C ATOM 942 CE2 TYR A 64 10.138 -9.850 -8.262 1.00 0.00 C ATOM 943 CZ TYR A 64 10.544 -8.572 -8.663 1.00 0.00 C ATOM 944 OH TYR A 64 11.880 -8.189 -8.576 1.00 0.00 O ATOM 0 H TYR A 64 3.783 -8.419 -7.528 1.00 0.00 H new ATOM 0 HA TYR A 64 5.828 -7.855 -8.311 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.201 -10.427 -8.010 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.252 -10.401 -9.761 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.519 -7.374 -9.620 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.503 -11.202 -8.017 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.878 -6.709 -9.504 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.868 -10.555 -7.891 1.00 0.00 H new ATOM 0 HH TYR A 64 12.408 -8.925 -8.202 1.00 0.00 H new ATOM 954 N GLY A 65 3.815 -7.487 -10.370 1.00 0.00 N ATOM 955 CA GLY A 65 3.293 -6.873 -11.584 1.00 0.00 C ATOM 956 C GLY A 65 3.169 -5.348 -11.403 1.00 0.00 C ATOM 957 O GLY A 65 2.802 -4.632 -12.327 1.00 0.00 O ATOM 0 H GLY A 65 3.183 -7.407 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.952 -7.094 -12.423 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.318 -7.298 -11.824 1.00 0.00 H new ATOM 961 N GLN A 66 3.498 -4.900 -10.164 1.00 0.00 N ATOM 962 CA GLN A 66 3.463 -3.488 -9.817 1.00 0.00 C ATOM 963 C GLN A 66 4.836 -2.892 -10.187 1.00 0.00 C ATOM 964 O GLN A 66 4.998 -1.682 -10.298 1.00 0.00 O ATOM 965 CB GLN A 66 3.134 -3.289 -8.319 1.00 0.00 C ATOM 966 CG GLN A 66 4.258 -3.735 -7.362 1.00 0.00 C ATOM 967 CD GLN A 66 3.844 -3.615 -5.888 1.00 0.00 C ATOM 968 OE1 GLN A 66 3.061 -4.403 -5.375 1.00 0.00 O ATOM 969 NE2 GLN A 66 4.431 -2.591 -5.241 1.00 0.00 N ATOM 0 H GLN A 66 3.788 -5.511 -9.400 1.00 0.00 H new ATOM 0 HA GLN A 66 2.674 -2.976 -10.368 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.918 -2.235 -8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.227 -3.844 -8.081 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.529 -4.768 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.146 -3.128 -7.539 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.074 -1.975 -5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.232 -2.431 -4.253 1.00 0.00 H new ATOM 978 N GLY A 67 5.806 -3.821 -10.355 1.00 0.00 N ATOM 979 CA GLY A 67 7.177 -3.482 -10.698 1.00 0.00 C ATOM 980 C GLY A 67 7.932 -2.998 -9.457 1.00 0.00 C ATOM 981 O GLY A 67 7.377 -2.876 -8.372 1.00 0.00 O ATOM 0 H GLY A 67 5.644 -4.823 -10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.679 -4.352 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.186 -2.706 -11.463 1.00 0.00 H new ATOM 985 N GLU A 68 9.234 -2.716 -9.691 1.00 0.00 N ATOM 986 CA GLU A 68 10.079 -2.233 -8.610 1.00 0.00 C ATOM 987 C GLU A 68 9.998 -0.687 -8.592 1.00 0.00 C ATOM 988 O GLU A 68 10.851 -0.020 -8.021 1.00 0.00 O ATOM 989 CB GLU A 68 11.514 -2.777 -8.749 1.00 0.00 C ATOM 990 CG GLU A 68 11.565 -4.300 -8.538 1.00 0.00 C ATOM 991 CD GLU A 68 13.010 -4.826 -8.570 1.00 0.00 C ATOM 992 OE1 GLU A 68 13.691 -4.743 -7.548 1.00 0.00 O ATOM 993 OE2 GLU A 68 13.438 -5.316 -9.615 1.00 0.00 O ATOM 0 H GLU A 68 9.698 -2.815 -10.594 1.00 0.00 H new ATOM 0 HA GLU A 68 9.729 -2.601 -7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.902 -2.533 -9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.162 -2.286 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.106 -4.551 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.979 -4.795 -9.312 1.00 0.00 H new ATOM 1000 N ILE A 69 8.928 -0.161 -9.240 1.00 0.00 N ATOM 1001 CA ILE A 69 8.649 1.263 -9.339 1.00 0.00 C ATOM 1002 C ILE A 69 7.783 1.562 -8.111 1.00 0.00 C ATOM 1003 O ILE A 69 8.073 2.444 -7.313 1.00 0.00 O ATOM 1004 CB ILE A 69 7.933 1.621 -10.689 1.00 0.00 C ATOM 1005 CG1 ILE A 69 7.893 0.466 -11.770 1.00 0.00 C ATOM 1006 CG2 ILE A 69 7.098 2.945 -10.525 1.00 0.00 C ATOM 1007 CD1 ILE A 69 9.298 0.226 -12.340 1.00 0.00 C ATOM 0 H ILE A 69 8.233 -0.739 -9.711 1.00 0.00 H new ATOM 0 HA ILE A 69 9.555 1.870 -9.349 1.00 0.00 H new ATOM 0 HB ILE A 69 8.272 2.018 -11.646 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.514 -0.451 -11.319 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.207 0.734 -12.574 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.606 3.184 -11.468 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.346 2.807 -9.748 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.763 3.762 -10.246 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.258 -0.571 -13.083 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.662 1.141 -12.808 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.973 -0.062 -11.534 1.00 0.00 H new ATOM 1019 N ASP A 70 6.707 0.748 -8.021 1.00 0.00 N ATOM 1020 CA ASP A 70 5.746 0.861 -6.937 1.00 0.00 C ATOM 1021 C ASP A 70 6.432 0.357 -5.661 1.00 0.00 C ATOM 1022 O ASP A 70 6.081 0.775 -4.565 1.00 0.00 O ATOM 1023 CB ASP A 70 4.473 0.054 -7.260 1.00 0.00 C ATOM 1024 CG ASP A 70 3.596 0.753 -8.308 1.00 0.00 C ATOM 1025 OD1 ASP A 70 4.141 1.349 -9.238 1.00 0.00 O ATOM 1026 OD2 ASP A 70 2.373 0.704 -8.178 1.00 0.00 O ATOM 0 H ASP A 70 6.496 0.011 -8.693 1.00 0.00 H new ATOM 0 HA ASP A 70 5.431 1.896 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.754 -0.934 -7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.897 -0.094 -6.347 1.00 0.00 H new ATOM 1031 N CYS A 71 7.434 -0.538 -5.848 1.00 0.00 N ATOM 1032 CA CYS A 71 8.161 -1.069 -4.707 1.00 0.00 C ATOM 1033 C CYS A 71 8.935 0.112 -4.107 1.00 0.00 C ATOM 1034 O CYS A 71 8.750 0.447 -2.946 1.00 0.00 O ATOM 1035 CB CYS A 71 9.094 -2.218 -5.116 1.00 0.00 C ATOM 1036 SG CYS A 71 9.799 -3.110 -3.709 1.00 0.00 S ATOM 0 H CYS A 71 7.738 -0.888 -6.756 1.00 0.00 H new ATOM 0 HA CYS A 71 7.480 -1.499 -3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.541 -2.920 -5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.904 -1.818 -5.726 1.00 0.00 H new ATOM 0 HG CYS A 71 11.036 -2.748 -3.541 1.00 0.00 H new ATOM 1042 N LYS A 72 9.763 0.752 -4.974 1.00 0.00 N ATOM 1043 CA LYS A 72 10.574 1.887 -4.546 1.00 0.00 C ATOM 1044 C LYS A 72 9.785 3.184 -4.758 1.00 0.00 C ATOM 1045 O LYS A 72 10.353 4.243 -4.988 1.00 0.00 O ATOM 1046 CB LYS A 72 11.913 1.918 -5.309 1.00 0.00 C ATOM 1047 CG LYS A 72 12.810 0.720 -4.985 1.00 0.00 C ATOM 1048 CD LYS A 72 14.146 0.754 -5.741 1.00 0.00 C ATOM 1049 CE LYS A 72 13.995 0.445 -7.234 1.00 0.00 C ATOM 1050 NZ LYS A 72 15.278 0.419 -7.926 1.00 0.00 N ATOM 0 H LYS A 72 9.875 0.495 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 72 10.805 1.786 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.715 1.938 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.443 2.839 -5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.005 0.698 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.282 -0.201 -5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.599 1.738 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.829 0.032 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.500 -0.518 -7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.351 1.194 -7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.125 0.206 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.741 1.346 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.884 -0.314 -7.505 1.00 0.00 H new ATOM 1063 N GLY A 73 8.458 3.046 -4.649 1.00 0.00 N ATOM 1064 CA GLY A 73 7.537 4.159 -4.798 1.00 0.00 C ATOM 1065 C GLY A 73 7.148 4.680 -3.414 1.00 0.00 C ATOM 1066 O GLY A 73 7.026 5.878 -3.188 1.00 0.00 O ATOM 0 H GLY A 73 8.001 2.155 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.001 4.954 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.648 3.840 -5.343 1.00 0.00 H new ATOM 1070 N LEU A 74 6.978 3.687 -2.511 1.00 0.00 N ATOM 1071 CA LEU A 74 6.614 3.964 -1.133 1.00 0.00 C ATOM 1072 C LEU A 74 7.910 4.135 -0.332 1.00 0.00 C ATOM 1073 O LEU A 74 7.916 4.776 0.713 1.00 0.00 O ATOM 1074 CB LEU A 74 5.722 2.848 -0.577 1.00 0.00 C ATOM 1075 CG LEU A 74 4.404 2.665 -1.395 1.00 0.00 C ATOM 1076 CD1 LEU A 74 3.590 3.988 -1.414 1.00 0.00 C ATOM 1077 CD2 LEU A 74 4.007 1.476 -2.311 1.00 0.00 C ATOM 0 H LEU A 74 7.090 2.696 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 74 6.030 4.881 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.278 1.910 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.473 3.071 0.460 1.00 0.00 H new ATOM 0 HG LEU A 74 4.096 1.690 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.675 3.844 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.337 4.274 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.187 4.776 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.020 1.658 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.736 1.378 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.987 0.557 -1.726 1.00 0.00 H new ATOM 1089 N ARG A 75 9.011 3.547 -0.858 1.00 0.00 N ATOM 1090 CA ARG A 75 10.294 3.690 -0.181 1.00 0.00 C ATOM 1091 C ARG A 75 10.768 5.121 -0.483 1.00 0.00 C ATOM 1092 O ARG A 75 11.449 5.742 0.320 1.00 0.00 O ATOM 1093 CB ARG A 75 11.311 2.634 -0.651 1.00 0.00 C ATOM 1094 CG ARG A 75 10.755 1.207 -0.588 1.00 0.00 C ATOM 1095 CD ARG A 75 10.527 0.627 0.823 1.00 0.00 C ATOM 1096 NE ARG A 75 9.272 -0.125 0.906 1.00 0.00 N ATOM 1097 CZ ARG A 75 8.897 -1.080 0.018 1.00 0.00 C ATOM 1098 NH1 ARG A 75 9.723 -1.526 -0.923 1.00 0.00 N ATOM 1099 NH2 ARG A 75 7.676 -1.595 0.082 1.00 0.00 N ATOM 0 H ARG A 75 9.027 2.993 -1.715 1.00 0.00 H new ATOM 0 HA ARG A 75 10.195 3.527 0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.613 2.857 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.207 2.698 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.807 1.185 -1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.440 0.549 -1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.360 -0.025 1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.514 1.438 1.551 1.00 0.00 H new ATOM 0 HE ARG A 75 8.641 0.082 1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.668 -1.149 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.411 -2.245 -1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.023 -1.273 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.390 -2.313 -0.583 1.00 0.00 H new ATOM 1113 N GLU A 76 10.342 5.609 -1.676 1.00 0.00 N ATOM 1114 CA GLU A 76 10.670 6.950 -2.120 1.00 0.00 C ATOM 1115 C GLU A 76 9.753 7.931 -1.364 1.00 0.00 C ATOM 1116 O GLU A 76 10.129 9.076 -1.168 1.00 0.00 O ATOM 1117 CB GLU A 76 10.485 7.044 -3.645 1.00 0.00 C ATOM 1118 CG GLU A 76 10.734 8.448 -4.219 1.00 0.00 C ATOM 1119 CD GLU A 76 10.586 8.436 -5.750 1.00 0.00 C ATOM 1120 OE1 GLU A 76 9.466 8.593 -6.236 1.00 0.00 O ATOM 1121 OE2 GLU A 76 11.592 8.271 -6.440 1.00 0.00 O ATOM 0 H GLU A 76 9.771 5.078 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 76 11.709 7.201 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.163 6.340 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.471 6.734 -3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.028 9.156 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.733 8.787 -3.947 1.00 0.00 H new ATOM 1128 N LYS A 77 8.557 7.441 -0.943 1.00 0.00 N ATOM 1129 CA LYS A 77 7.573 8.233 -0.224 1.00 0.00 C ATOM 1130 C LYS A 77 8.049 8.436 1.238 1.00 0.00 C ATOM 1131 O LYS A 77 7.552 9.304 1.946 1.00 0.00 O ATOM 1132 CB LYS A 77 6.230 7.475 -0.262 1.00 0.00 C ATOM 1133 CG LYS A 77 5.013 8.244 0.263 1.00 0.00 C ATOM 1134 CD LYS A 77 3.801 7.323 0.443 1.00 0.00 C ATOM 1135 CE LYS A 77 2.586 8.042 1.035 1.00 0.00 C ATOM 1136 NZ LYS A 77 1.924 8.939 0.095 1.00 0.00 N ATOM 0 H LYS A 77 8.265 6.477 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 77 7.450 9.214 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.031 7.178 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.335 6.559 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.260 8.712 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.762 9.047 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.529 6.897 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.076 6.492 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.868 7.299 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.902 8.613 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.323 9.607 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.640 9.466 -0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.337 8.384 -0.560 1.00 0.00 H new ATOM 1149 N CYS A 78 9.010 7.583 1.655 1.00 0.00 N ATOM 1150 CA CYS A 78 9.565 7.591 3.003 1.00 0.00 C ATOM 1151 C CYS A 78 10.747 8.518 3.000 1.00 0.00 C ATOM 1152 O CYS A 78 10.937 9.386 3.843 1.00 0.00 O ATOM 1153 CB CYS A 78 9.903 6.171 3.480 1.00 0.00 C ATOM 1154 SG CYS A 78 10.746 6.148 5.082 1.00 0.00 S ATOM 0 H CYS A 78 9.418 6.869 1.052 1.00 0.00 H new ATOM 0 HA CYS A 78 8.833 7.957 3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.984 5.588 3.550 1.00 0.00 H new ATOM 0 HB3 CYS A 78 10.534 5.684 2.736 1.00 0.00 H new ATOM 0 HG CYS A 78 10.509 5.019 5.681 1.00 0.00 H new ATOM 1160 N ASP A 79 11.498 8.247 1.936 1.00 0.00 N ATOM 1161 CA ASP A 79 12.705 8.947 1.585 1.00 0.00 C ATOM 1162 C ASP A 79 12.340 10.326 1.025 1.00 0.00 C ATOM 1163 O ASP A 79 13.205 11.114 0.661 1.00 0.00 O ATOM 1164 CB ASP A 79 13.642 8.125 0.675 1.00 0.00 C ATOM 1165 CG ASP A 79 14.071 6.775 1.294 1.00 0.00 C ATOM 1166 OD1 ASP A 79 14.100 6.652 2.519 1.00 0.00 O ATOM 1167 OD2 ASP A 79 14.374 5.855 0.534 1.00 0.00 O ATOM 0 H ASP A 79 11.264 7.504 1.278 1.00 0.00 H new ATOM 0 HA ASP A 79 13.300 9.098 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.141 7.938 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.532 8.715 0.455 1.00 0.00 H new ATOM 1172 N GLU A 80 11.020 10.572 1.003 1.00 0.00 N ATOM 1173 CA GLU A 80 10.448 11.825 0.581 1.00 0.00 C ATOM 1174 C GLU A 80 10.510 12.702 1.825 1.00 0.00 C ATOM 1175 O GLU A 80 11.062 13.795 1.833 1.00 0.00 O ATOM 1176 CB GLU A 80 8.994 11.724 0.073 1.00 0.00 C ATOM 1177 CG GLU A 80 8.404 13.089 -0.326 1.00 0.00 C ATOM 1178 CD GLU A 80 9.096 13.661 -1.573 1.00 0.00 C ATOM 1179 OE1 GLU A 80 8.742 13.255 -2.680 1.00 0.00 O ATOM 1180 OE2 GLU A 80 9.979 14.505 -1.425 1.00 0.00 O ATOM 0 H GLU A 80 10.323 9.883 1.286 1.00 0.00 H new ATOM 0 HA GLU A 80 11.000 12.218 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.960 11.054 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.373 11.278 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.336 12.983 -0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.510 13.789 0.503 1.00 0.00 H new ATOM 1187 N ALA A 81 9.877 12.110 2.863 1.00 0.00 N ATOM 1188 CA ALA A 81 9.751 12.708 4.185 1.00 0.00 C ATOM 1189 C ALA A 81 8.939 14.005 4.008 1.00 0.00 C ATOM 1190 O ALA A 81 9.279 15.059 4.531 1.00 0.00 O ATOM 1191 CB ALA A 81 11.123 12.935 4.846 1.00 0.00 C ATOM 0 H ALA A 81 9.438 11.192 2.791 1.00 0.00 H new ATOM 0 HA ALA A 81 9.231 12.039 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.983 13.382 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.639 11.980 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.720 13.603 4.225 1.00 0.00 H new ATOM 1197 N GLY A 82 7.852 13.836 3.225 1.00 0.00 N ATOM 1198 CA GLY A 82 6.939 14.925 2.905 1.00 0.00 C ATOM 1199 C GLY A 82 5.542 14.359 2.640 1.00 0.00 C ATOM 1200 O GLY A 82 4.537 14.884 3.105 1.00 0.00 O ATOM 0 H GLY A 82 7.594 12.943 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.904 15.638 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.295 15.467 2.029 1.00 0.00 H new ATOM 1204 N LEU A 83 5.555 13.246 1.870 1.00 0.00 N ATOM 1205 CA LEU A 83 4.328 12.547 1.531 1.00 0.00 C ATOM 1206 C LEU A 83 4.003 11.716 2.777 1.00 0.00 C ATOM 1207 O LEU A 83 4.787 10.880 3.211 1.00 0.00 O ATOM 1208 CB LEU A 83 4.550 11.624 0.325 1.00 0.00 C ATOM 1209 CG LEU A 83 4.780 12.369 -1.027 1.00 0.00 C ATOM 1210 CD1 LEU A 83 5.608 11.441 -1.968 1.00 0.00 C ATOM 1211 CD2 LEU A 83 3.868 13.497 -1.557 1.00 0.00 C ATOM 0 H LEU A 83 6.401 12.829 1.483 1.00 0.00 H new ATOM 0 HA LEU A 83 3.524 13.232 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.411 10.987 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.685 10.968 0.221 1.00 0.00 H new ATOM 0 HG LEU A 83 5.333 13.283 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.779 11.946 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.566 11.212 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.059 10.516 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.245 13.848 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.854 13.117 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.861 14.323 -0.846 1.00 0.00 H new ATOM 1223 N LYS A 84 2.799 12.009 3.316 1.00 0.00 N ATOM 1224 CA LYS A 84 2.333 11.332 4.516 1.00 0.00 C ATOM 1225 C LYS A 84 1.770 9.983 4.054 1.00 0.00 C ATOM 1226 O LYS A 84 1.068 9.880 3.055 1.00 0.00 O ATOM 1227 CB LYS A 84 1.346 12.218 5.303 1.00 0.00 C ATOM 1228 CG LYS A 84 -0.006 12.497 4.618 1.00 0.00 C ATOM 1229 CD LYS A 84 -1.083 11.434 4.880 1.00 0.00 C ATOM 1230 CE LYS A 84 -1.520 11.338 6.345 1.00 0.00 C ATOM 1231 NZ LYS A 84 -2.614 10.392 6.509 1.00 0.00 N ATOM 0 H LYS A 84 2.152 12.700 2.937 1.00 0.00 H new ATOM 0 HA LYS A 84 3.132 11.146 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.152 11.745 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.830 13.173 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.378 13.464 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.155 12.576 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.955 11.656 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.706 10.463 4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.674 11.030 6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.830 12.321 6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.524 9.913 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.521 10.900 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.580 9.686 5.746 1.00 0.00 H new ATOM 1244 N GLY A 85 2.152 8.969 4.859 1.00 0.00 N ATOM 1245 CA GLY A 85 1.777 7.580 4.634 1.00 0.00 C ATOM 1246 C GLY A 85 3.069 6.761 4.563 1.00 0.00 C ATOM 1247 O GLY A 85 3.944 7.029 3.747 1.00 0.00 O ATOM 0 H GLY A 85 2.733 9.105 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.138 7.220 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.209 7.481 3.709 1.00 0.00 H new ATOM 1251 N ILE A 86 3.139 5.761 5.468 1.00 0.00 N ATOM 1252 CA ILE A 86 4.323 4.917 5.530 1.00 0.00 C ATOM 1253 C ILE A 86 3.875 3.532 6.004 1.00 0.00 C ATOM 1254 O ILE A 86 4.596 2.842 6.713 1.00 0.00 O ATOM 1255 CB ILE A 86 5.387 5.528 6.495 1.00 0.00 C ATOM 1256 CG1 ILE A 86 6.869 5.272 6.128 1.00 0.00 C ATOM 1257 CG2 ILE A 86 4.726 5.956 7.846 1.00 0.00 C ATOM 1258 CD1 ILE A 86 7.904 5.719 7.178 1.00 0.00 C ATOM 0 H ILE A 86 2.407 5.533 6.141 1.00 0.00 H new ATOM 0 HA ILE A 86 4.793 4.843 4.549 1.00 0.00 H new ATOM 0 HB ILE A 86 5.889 6.495 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.000 4.205 5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.086 5.784 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.485 6.379 8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.955 6.702 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.277 5.085 8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.908 5.493 6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.812 6.792 7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.725 5.189 8.114 1.00 0.00 H new ATOM 1270 N LYS A 87 2.648 3.167 5.578 1.00 0.00 N ATOM 1271 CA LYS A 87 2.063 1.879 5.914 1.00 0.00 C ATOM 1272 C LYS A 87 1.417 1.460 4.600 1.00 0.00 C ATOM 1273 O LYS A 87 0.537 2.127 4.076 1.00 0.00 O ATOM 1274 CB LYS A 87 1.061 2.003 7.069 1.00 0.00 C ATOM 1275 CG LYS A 87 1.720 2.536 8.353 1.00 0.00 C ATOM 1276 CD LYS A 87 0.778 2.629 9.561 1.00 0.00 C ATOM 1277 CE LYS A 87 -0.461 3.498 9.314 1.00 0.00 C ATOM 1278 NZ LYS A 87 -0.131 4.847 8.872 1.00 0.00 N ATOM 0 H LYS A 87 2.051 3.758 4.999 1.00 0.00 H new ATOM 0 HA LYS A 87 2.781 1.143 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.250 2.669 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.616 1.028 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.559 1.889 8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.131 3.525 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.457 1.625 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.330 3.032 10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.090 3.019 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.047 3.555 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.981 5.445 8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.604 5.245 9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.219 4.816 7.893 1.00 0.00 H new ATOM 1291 N LEU A 88 1.931 0.323 4.097 1.00 0.00 N ATOM 1292 CA LEU A 88 1.485 -0.190 2.815 1.00 0.00 C ATOM 1293 C LEU A 88 1.366 -1.696 3.015 1.00 0.00 C ATOM 1294 O LEU A 88 2.363 -2.379 3.207 1.00 0.00 O ATOM 1295 CB LEU A 88 2.559 0.179 1.765 1.00 0.00 C ATOM 1296 CG LEU A 88 3.109 1.626 1.957 1.00 0.00 C ATOM 1297 CD1 LEU A 88 2.125 2.692 1.388 1.00 0.00 C ATOM 1298 CD2 LEU A 88 4.452 1.876 2.714 1.00 0.00 C ATOM 0 H LEU A 88 2.644 -0.241 4.560 1.00 0.00 H new ATOM 0 HA LEU A 88 0.535 0.217 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.384 -0.531 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.133 0.085 0.766 1.00 0.00 H new ATOM 0 HG LEU A 88 4.013 2.234 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.541 3.688 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.977 2.518 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.168 2.616 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.661 2.945 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.372 1.496 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.262 1.361 2.197 1.00 0.00 H new ATOM 1310 N PHE A 89 0.101 -2.180 2.960 1.00 0.00 N ATOM 1311 CA PHE A 89 -0.130 -3.605 3.147 1.00 0.00 C ATOM 1312 C PHE A 89 -0.314 -4.158 1.720 1.00 0.00 C ATOM 1313 O PHE A 89 -1.402 -4.242 1.160 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.312 -3.853 4.110 1.00 0.00 C ATOM 1315 CG PHE A 89 -1.232 -5.135 4.912 1.00 0.00 C ATOM 1316 CD1 PHE A 89 -0.274 -6.124 4.675 1.00 0.00 C ATOM 1317 CD2 PHE A 89 -2.160 -5.355 5.926 1.00 0.00 C ATOM 1318 CE1 PHE A 89 -0.271 -7.304 5.406 1.00 0.00 C ATOM 1319 CE2 PHE A 89 -2.145 -6.529 6.663 1.00 0.00 C ATOM 1320 CZ PHE A 89 -1.207 -7.510 6.402 1.00 0.00 C ATOM 0 H PHE A 89 -0.734 -1.619 2.794 1.00 0.00 H new ATOM 0 HA PHE A 89 0.693 -4.126 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.378 -3.014 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.236 -3.862 3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.475 -5.968 3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.902 -4.600 6.142 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.466 -8.065 5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.872 -6.678 7.447 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.205 -8.428 6.971 1.00 0.00 H new ATOM 1330 N VAL A 90 0.863 -4.537 1.193 1.00 0.00 N ATOM 1331 CA VAL A 90 1.004 -5.046 -0.151 1.00 0.00 C ATOM 1332 C VAL A 90 0.839 -6.563 -0.164 1.00 0.00 C ATOM 1333 O VAL A 90 1.753 -7.362 0.002 1.00 0.00 O ATOM 1334 CB VAL A 90 2.390 -4.621 -0.736 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.366 -4.828 -2.284 1.00 0.00 C ATOM 1336 CG2 VAL A 90 3.353 -3.628 -0.031 1.00 0.00 C ATOM 0 H VAL A 90 1.743 -4.492 1.707 1.00 0.00 H new ATOM 0 HA VAL A 90 0.222 -4.621 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 90 3.155 -5.260 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.328 -4.535 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.176 -5.878 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.577 -4.216 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.249 -3.497 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.856 -2.666 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.631 -4.023 0.946 1.00 0.00 H new ATOM 1346 N GLY A 91 -0.438 -6.886 -0.374 1.00 0.00 N ATOM 1347 CA GLY A 91 -0.796 -8.288 -0.517 1.00 0.00 C ATOM 1348 C GLY A 91 -0.252 -8.847 -1.840 1.00 0.00 C ATOM 1349 O GLY A 91 -0.217 -8.182 -2.873 1.00 0.00 O ATOM 0 H GLY A 91 -1.210 -6.223 -0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.394 -8.860 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.880 -8.398 -0.487 1.00 0.00 H new ATOM 1353 N GLY A 92 0.185 -10.117 -1.696 1.00 0.00 N ATOM 1354 CA GLY A 92 0.788 -10.855 -2.791 1.00 0.00 C ATOM 1355 C GLY A 92 2.270 -10.466 -2.839 1.00 0.00 C ATOM 1356 O GLY A 92 3.130 -11.146 -2.292 1.00 0.00 O ATOM 0 H GLY A 92 0.124 -10.641 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.677 -11.929 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.296 -10.614 -3.734 1.00 0.00 H new ATOM 1360 N ASN A 93 2.484 -9.317 -3.525 1.00 0.00 N ATOM 1361 CA ASN A 93 3.785 -8.689 -3.699 1.00 0.00 C ATOM 1362 C ASN A 93 4.671 -9.690 -4.463 1.00 0.00 C ATOM 1363 O ASN A 93 4.481 -9.919 -5.648 1.00 0.00 O ATOM 1364 CB ASN A 93 4.318 -8.187 -2.331 1.00 0.00 C ATOM 1365 CG ASN A 93 5.631 -7.395 -2.445 1.00 0.00 C ATOM 1366 OD1 ASN A 93 6.664 -7.791 -1.920 1.00 0.00 O ATOM 1367 ND2 ASN A 93 5.518 -6.259 -3.156 1.00 0.00 N ATOM 0 H ASN A 93 1.729 -8.801 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 93 3.755 -7.782 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.561 -7.558 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.473 -9.042 -1.673 1.00 0.00 H new ATOM 0 HD21 ASN A 93 6.331 -5.658 -3.289 1.00 0.00 H new ATOM 0 HD22 ASN A 93 4.619 -5.999 -3.562 1.00 0.00 H new ATOM 1374 N ILE A 94 5.639 -10.266 -3.721 1.00 0.00 N ATOM 1375 CA ILE A 94 6.575 -11.233 -4.270 1.00 0.00 C ATOM 1376 C ILE A 94 6.307 -12.517 -3.472 1.00 0.00 C ATOM 1377 O ILE A 94 5.890 -12.490 -2.320 1.00 0.00 O ATOM 1378 CB ILE A 94 8.018 -10.623 -4.200 1.00 0.00 C ATOM 1379 CG1 ILE A 94 8.157 -9.192 -4.773 1.00 0.00 C ATOM 1380 CG2 ILE A 94 9.103 -11.741 -4.091 1.00 0.00 C ATOM 1381 CD1 ILE A 94 9.590 -8.633 -4.867 1.00 0.00 C ATOM 0 H ILE A 94 5.783 -10.067 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 94 6.461 -11.477 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 94 8.377 -10.146 -3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.718 -9.178 -5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.566 -8.516 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.092 -11.285 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.931 -12.328 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.044 -12.391 -4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.561 -7.626 -5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.035 -8.603 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.189 -9.275 -5.513 1.00 0.00 H new ATOM 1393 N VAL A 95 6.550 -13.637 -4.188 1.00 0.00 N ATOM 1394 CA VAL A 95 6.350 -14.979 -3.654 1.00 0.00 C ATOM 1395 C VAL A 95 7.635 -15.420 -2.932 1.00 0.00 C ATOM 1396 O VAL A 95 8.570 -14.651 -2.747 1.00 0.00 O ATOM 1397 CB VAL A 95 5.997 -15.928 -4.851 1.00 0.00 C ATOM 1398 CG1 VAL A 95 4.810 -16.862 -4.470 1.00 0.00 C ATOM 1399 CG2 VAL A 95 6.516 -15.673 -6.294 1.00 0.00 C ATOM 0 H VAL A 95 6.889 -13.623 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 95 5.534 -15.010 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 95 6.798 -16.597 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.576 -17.515 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.086 -17.467 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.936 -16.258 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.147 -16.456 -6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.159 -14.704 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 95 7.606 -15.681 -6.295 1.00 0.00 H new ATOM 1409 N VAL A 96 7.594 -16.719 -2.548 1.00 0.00 N ATOM 1410 CA VAL A 96 8.648 -17.448 -1.852 1.00 0.00 C ATOM 1411 C VAL A 96 9.354 -16.600 -0.779 1.00 0.00 C ATOM 1412 O VAL A 96 10.521 -16.242 -0.888 1.00 0.00 O ATOM 1413 CB VAL A 96 9.623 -18.126 -2.870 1.00 0.00 C ATOM 1414 CG1 VAL A 96 10.213 -17.094 -3.884 1.00 0.00 C ATOM 1415 CG2 VAL A 96 10.195 -19.568 -2.734 1.00 0.00 C ATOM 0 H VAL A 96 6.778 -17.303 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 96 8.179 -18.255 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 96 9.036 -18.937 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.885 -17.605 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.402 -16.630 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.765 -16.326 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.846 -19.783 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.766 -19.647 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.374 -20.285 -2.717 1.00 0.00 H new ATOM 1425 N GLY A 97 8.548 -16.320 0.264 1.00 0.00 N ATOM 1426 CA GLY A 97 9.032 -15.531 1.385 1.00 0.00 C ATOM 1427 C GLY A 97 7.864 -15.152 2.297 1.00 0.00 C ATOM 1428 O GLY A 97 6.698 -15.357 1.977 1.00 0.00 O ATOM 0 H GLY A 97 7.579 -16.627 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.774 -16.098 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.527 -14.631 1.021 1.00 0.00 H new ATOM 1432 N LYS A 98 8.270 -14.585 3.450 1.00 0.00 N ATOM 1433 CA LYS A 98 7.308 -14.154 4.454 1.00 0.00 C ATOM 1434 C LYS A 98 8.035 -13.088 5.280 1.00 0.00 C ATOM 1435 O LYS A 98 7.524 -12.001 5.519 1.00 0.00 O ATOM 1436 CB LYS A 98 6.841 -15.351 5.304 1.00 0.00 C ATOM 1437 CG LYS A 98 5.768 -14.975 6.335 1.00 0.00 C ATOM 1438 CD LYS A 98 5.255 -16.197 7.108 1.00 0.00 C ATOM 1439 CE LYS A 98 4.194 -15.836 8.153 1.00 0.00 C ATOM 1440 NZ LYS A 98 2.956 -15.343 7.559 1.00 0.00 N ATOM 0 H LYS A 98 9.246 -14.421 3.697 1.00 0.00 H new ATOM 0 HA LYS A 98 6.399 -13.742 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.448 -16.125 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.700 -15.779 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.179 -14.249 7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.933 -14.491 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.836 -16.916 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.094 -16.687 7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.975 -16.715 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.596 -15.077 8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.253 -15.179 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.143 -14.451 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.589 -16.047 6.887 1.00 0.00 H new ATOM 1453 N GLN A 99 9.259 -13.485 5.689 1.00 0.00 N ATOM 1454 CA GLN A 99 10.149 -12.648 6.477 1.00 0.00 C ATOM 1455 C GLN A 99 11.478 -12.641 5.706 1.00 0.00 C ATOM 1456 O GLN A 99 12.161 -11.629 5.623 1.00 0.00 O ATOM 1457 CB GLN A 99 10.267 -13.228 7.902 1.00 0.00 C ATOM 1458 CG GLN A 99 10.946 -12.299 8.924 1.00 0.00 C ATOM 1459 CD GLN A 99 12.443 -12.091 8.653 1.00 0.00 C ATOM 1460 OE1 GLN A 99 12.900 -10.986 8.387 1.00 0.00 O ATOM 1461 NE2 GLN A 99 13.169 -13.220 8.741 1.00 0.00 N ATOM 0 H GLN A 99 9.647 -14.403 5.473 1.00 0.00 H new ATOM 0 HA GLN A 99 9.794 -11.626 6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.268 -13.473 8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.827 -14.162 7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.444 -11.331 8.915 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.819 -12.715 9.924 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.713 -14.104 8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.176 -13.193 8.581 1.00 0.00 H new ATOM 1470 N ASN A 100 11.795 -13.830 5.144 1.00 0.00 N ATOM 1471 CA ASN A 100 13.006 -14.020 4.368 1.00 0.00 C ATOM 1472 C ASN A 100 12.603 -13.677 2.930 1.00 0.00 C ATOM 1473 O ASN A 100 11.825 -14.378 2.294 1.00 0.00 O ATOM 1474 CB ASN A 100 13.556 -15.453 4.539 1.00 0.00 C ATOM 1475 CG ASN A 100 12.580 -16.566 4.095 1.00 0.00 C ATOM 1476 OD1 ASN A 100 11.405 -16.581 4.442 1.00 0.00 O ATOM 1477 ND2 ASN A 100 13.154 -17.492 3.305 1.00 0.00 N ATOM 0 H ASN A 100 11.215 -14.665 5.224 1.00 0.00 H new ATOM 0 HA ASN A 100 13.829 -13.384 4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.479 -15.546 3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.813 -15.608 5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.602 -18.274 2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.141 -17.412 3.059 1.00 0.00 H new ATOM 1484 N TRP A 101 13.178 -12.542 2.478 1.00 0.00 N ATOM 1485 CA TRP A 101 12.911 -12.034 1.143 1.00 0.00 C ATOM 1486 C TRP A 101 14.269 -12.023 0.432 1.00 0.00 C ATOM 1487 O TRP A 101 15.305 -12.149 1.075 1.00 0.00 O ATOM 1488 CB TRP A 101 12.328 -10.613 1.247 1.00 0.00 C ATOM 1489 CG TRP A 101 10.976 -10.672 1.921 1.00 0.00 C ATOM 1490 CD1 TRP A 101 10.666 -10.210 3.202 1.00 0.00 C ATOM 1491 CD2 TRP A 101 9.763 -11.226 1.378 1.00 0.00 C ATOM 1492 NE1 TRP A 101 9.358 -10.452 3.458 1.00 0.00 N ATOM 1493 CE2 TRP A 101 8.765 -11.074 2.366 1.00 0.00 C ATOM 1494 CE3 TRP A 101 9.462 -11.815 0.180 1.00 0.00 C ATOM 1495 CZ2 TRP A 101 7.495 -11.519 2.124 1.00 0.00 C ATOM 1496 CZ3 TRP A 101 8.169 -12.268 -0.068 1.00 0.00 C ATOM 1497 CH2 TRP A 101 7.181 -12.120 0.905 1.00 0.00 C ATOM 0 H TRP A 101 13.824 -11.973 3.025 1.00 0.00 H new ATOM 0 HA TRP A 101 12.189 -12.641 0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.002 -9.972 1.815 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.233 -10.174 0.254 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.359 -9.735 3.881 1.00 0.00 H new ATOM 0 HE1 TRP A 101 8.878 -10.213 4.326 1.00 0.00 H new ATOM 0 HE3 TRP A 101 10.228 -11.928 -0.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.732 -11.405 2.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.931 -12.734 -1.013 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.177 -12.469 0.715 1.00 0.00 H new ATOM 1508 N PRO A 102 14.246 -11.864 -0.932 1.00 0.00 N ATOM 1509 CA PRO A 102 15.477 -11.823 -1.719 1.00 0.00 C ATOM 1510 C PRO A 102 16.215 -10.503 -1.389 1.00 0.00 C ATOM 1511 O PRO A 102 16.070 -9.927 -0.317 1.00 0.00 O ATOM 1512 CB PRO A 102 15.006 -11.926 -3.194 1.00 0.00 C ATOM 1513 CG PRO A 102 13.530 -12.319 -3.141 1.00 0.00 C ATOM 1514 CD PRO A 102 13.038 -11.885 -1.762 1.00 0.00 C ATOM 0 HA PRO A 102 16.184 -12.625 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 102 15.138 -10.976 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.588 -12.670 -3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.965 -11.826 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.405 -13.393 -3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.565 -10.904 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.297 -12.581 -1.368 1.00 0.00 H new ATOM 1522 N ASP A 103 16.979 -10.036 -2.402 1.00 0.00 N ATOM 1523 CA ASP A 103 17.777 -8.824 -2.282 1.00 0.00 C ATOM 1524 C ASP A 103 16.828 -7.617 -2.278 1.00 0.00 C ATOM 1525 O ASP A 103 17.164 -6.561 -1.752 1.00 0.00 O ATOM 1526 CB ASP A 103 18.821 -8.750 -3.417 1.00 0.00 C ATOM 1527 CG ASP A 103 18.179 -8.781 -4.820 1.00 0.00 C ATOM 1528 OD1 ASP A 103 17.991 -9.870 -5.362 1.00 0.00 O ATOM 1529 OD2 ASP A 103 17.876 -7.714 -5.355 1.00 0.00 O ATOM 0 H ASP A 103 17.051 -10.493 -3.311 1.00 0.00 H new ATOM 0 HA ASP A 103 18.339 -8.826 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 103 19.405 -7.836 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 103 19.515 -9.585 -3.321 1.00 0.00 H new ATOM 1534 N VAL A 104 15.633 -7.834 -2.881 1.00 0.00 N ATOM 1535 CA VAL A 104 14.620 -6.795 -2.968 1.00 0.00 C ATOM 1536 C VAL A 104 14.264 -6.249 -1.586 1.00 0.00 C ATOM 1537 O VAL A 104 14.668 -5.144 -1.249 1.00 0.00 O ATOM 1538 CB VAL A 104 13.337 -7.225 -3.756 1.00 0.00 C ATOM 1539 CG1 VAL A 104 12.875 -8.675 -3.391 1.00 0.00 C ATOM 1540 CG2 VAL A 104 12.401 -6.148 -4.360 1.00 0.00 C ATOM 0 H VAL A 104 15.364 -8.721 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 104 15.071 -5.993 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 104 13.580 -7.356 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.982 -8.927 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.670 -9.381 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.650 -8.728 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 104 11.568 -6.634 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.019 -5.510 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 104 12.958 -5.542 -5.075 1.00 0.00 H new ATOM 1550 N GLU A 105 13.527 -7.064 -0.792 1.00 0.00 N ATOM 1551 CA GLU A 105 13.137 -6.567 0.515 1.00 0.00 C ATOM 1552 C GLU A 105 14.220 -6.905 1.537 1.00 0.00 C ATOM 1553 O GLU A 105 13.912 -7.019 2.711 1.00 0.00 O ATOM 1554 CB GLU A 105 11.729 -6.993 0.969 1.00 0.00 C ATOM 1555 CG GLU A 105 10.652 -6.759 -0.103 1.00 0.00 C ATOM 1556 CD GLU A 105 9.265 -7.191 0.408 1.00 0.00 C ATOM 1557 OE1 GLU A 105 8.615 -6.400 1.091 1.00 0.00 O ATOM 1558 OE2 GLU A 105 8.849 -8.311 0.115 1.00 0.00 O ATOM 0 H GLU A 105 13.215 -8.006 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 105 13.055 -5.483 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.744 -8.050 1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.462 -6.441 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.630 -5.705 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.903 -7.319 -1.004 1.00 0.00 H new ATOM 1565 N GLN A 106 15.486 -7.066 1.084 1.00 0.00 N ATOM 1566 CA GLN A 106 16.564 -7.272 2.048 1.00 0.00 C ATOM 1567 C GLN A 106 16.790 -5.860 2.631 1.00 0.00 C ATOM 1568 O GLN A 106 16.890 -5.646 3.834 1.00 0.00 O ATOM 1569 CB GLN A 106 17.839 -7.787 1.357 1.00 0.00 C ATOM 1570 CG GLN A 106 19.033 -7.944 2.310 1.00 0.00 C ATOM 1571 CD GLN A 106 20.261 -8.472 1.557 1.00 0.00 C ATOM 1572 OE1 GLN A 106 21.203 -7.744 1.271 1.00 0.00 O ATOM 1573 NE2 GLN A 106 20.183 -9.782 1.259 1.00 0.00 N ATOM 0 H GLN A 106 15.767 -7.057 0.103 1.00 0.00 H new ATOM 0 HA GLN A 106 16.319 -8.017 2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.627 -8.750 0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 106 18.112 -7.099 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 106 19.267 -6.984 2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.773 -8.629 3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.361 -10.319 1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.946 -10.237 0.758 1.00 0.00 H new ATOM 1582 N ARG A 107 16.827 -4.921 1.658 1.00 0.00 N ATOM 1583 CA ARG A 107 17.010 -3.511 1.933 1.00 0.00 C ATOM 1584 C ARG A 107 15.645 -2.941 2.362 1.00 0.00 C ATOM 1585 O ARG A 107 15.607 -2.007 3.154 1.00 0.00 O ATOM 1586 CB ARG A 107 17.609 -2.789 0.708 1.00 0.00 C ATOM 1587 CG ARG A 107 16.880 -3.089 -0.614 1.00 0.00 C ATOM 1588 CD ARG A 107 17.427 -2.305 -1.811 1.00 0.00 C ATOM 1589 NE ARG A 107 17.219 -0.875 -1.619 1.00 0.00 N ATOM 1590 CZ ARG A 107 17.370 0.020 -2.621 1.00 0.00 C ATOM 1591 NH1 ARG A 107 17.739 -0.362 -3.841 1.00 0.00 N ATOM 1592 NH2 ARG A 107 17.143 1.308 -2.382 1.00 0.00 N ATOM 0 H ARG A 107 16.729 -5.138 0.666 1.00 0.00 H new ATOM 0 HA ARG A 107 17.725 -3.356 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.588 -1.714 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 107 18.656 -3.075 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.954 -4.156 -0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.821 -2.860 -0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.490 -2.511 -1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.931 -2.632 -2.725 1.00 0.00 H new ATOM 0 HE ARG A 107 16.950 -0.537 -0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 107 17.914 -1.348 -4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.847 0.331 -4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.858 1.611 -1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.254 1.993 -3.130 1.00 0.00 H new ATOM 1606 N PHE A 108 14.533 -3.532 1.838 1.00 0.00 N ATOM 1607 CA PHE A 108 13.215 -3.021 2.219 1.00 0.00 C ATOM 1608 C PHE A 108 12.714 -3.802 3.449 1.00 0.00 C ATOM 1609 O PHE A 108 11.534 -3.731 3.764 1.00 0.00 O ATOM 1610 CB PHE A 108 12.172 -3.011 1.080 1.00 0.00 C ATOM 1611 CG PHE A 108 12.724 -2.506 -0.229 1.00 0.00 C ATOM 1612 CD1 PHE A 108 13.453 -1.321 -0.290 1.00 0.00 C ATOM 1613 CD2 PHE A 108 12.511 -3.223 -1.403 1.00 0.00 C ATOM 1614 CE1 PHE A 108 13.970 -0.872 -1.496 1.00 0.00 C ATOM 1615 CE2 PHE A 108 13.032 -2.779 -2.610 1.00 0.00 C ATOM 1616 CZ PHE A 108 13.767 -1.607 -2.654 1.00 0.00 C ATOM 0 H PHE A 108 14.532 -4.318 1.188 1.00 0.00 H new ATOM 0 HA PHE A 108 13.339 -1.967 2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 108 11.788 -4.021 0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.328 -2.388 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 108 13.617 -0.747 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 108 11.934 -4.135 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.531 0.050 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 108 12.864 -3.347 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 108 14.182 -1.265 -3.590 1.00 0.00 H new ATOM 1626 N LYS A 109 13.619 -4.577 4.099 1.00 0.00 N ATOM 1627 CA LYS A 109 13.269 -5.278 5.336 1.00 0.00 C ATOM 1628 C LYS A 109 13.632 -4.271 6.434 1.00 0.00 C ATOM 1629 O LYS A 109 12.935 -4.122 7.430 1.00 0.00 O ATOM 1630 CB LYS A 109 14.022 -6.613 5.543 1.00 0.00 C ATOM 1631 CG LYS A 109 13.139 -7.854 5.308 1.00 0.00 C ATOM 1632 CD LYS A 109 12.403 -8.339 6.566 1.00 0.00 C ATOM 1633 CE LYS A 109 11.314 -7.383 7.061 1.00 0.00 C ATOM 1634 NZ LYS A 109 10.551 -7.952 8.165 1.00 0.00 N ATOM 0 H LYS A 109 14.578 -4.724 3.785 1.00 0.00 H new ATOM 0 HA LYS A 109 12.220 -5.575 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 109 14.875 -6.649 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 109 14.419 -6.645 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 109 12.405 -7.625 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.761 -8.664 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.952 -9.310 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.130 -8.489 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.771 -6.446 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.639 -7.144 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.824 -7.274 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.094 -8.833 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.190 -8.156 8.960 1.00 0.00 H new ATOM 1647 N ALA A 110 14.774 -3.585 6.161 1.00 0.00 N ATOM 1648 CA ALA A 110 15.316 -2.566 7.044 1.00 0.00 C ATOM 1649 C ALA A 110 14.290 -1.426 7.128 1.00 0.00 C ATOM 1650 O ALA A 110 14.168 -0.768 8.154 1.00 0.00 O ATOM 1651 CB ALA A 110 16.677 -2.077 6.526 1.00 0.00 C ATOM 0 H ALA A 110 15.330 -3.737 5.319 1.00 0.00 H new ATOM 0 HA ALA A 110 15.490 -2.969 8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.069 -1.314 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.372 -2.915 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.556 -1.654 5.529 1.00 0.00 H new ATOM 1657 N MET A 111 13.561 -1.235 6.003 1.00 0.00 N ATOM 1658 CA MET A 111 12.522 -0.226 5.941 1.00 0.00 C ATOM 1659 C MET A 111 11.324 -0.921 6.602 1.00 0.00 C ATOM 1660 O MET A 111 10.834 -0.497 7.641 1.00 0.00 O ATOM 1661 CB MET A 111 12.301 0.203 4.479 1.00 0.00 C ATOM 1662 CG MET A 111 13.542 0.908 3.911 1.00 0.00 C ATOM 1663 SD MET A 111 13.272 1.569 2.256 1.00 0.00 S ATOM 1664 CE MET A 111 12.856 3.271 2.683 1.00 0.00 C ATOM 0 H MET A 111 13.685 -1.770 5.143 1.00 0.00 H new ATOM 0 HA MET A 111 12.745 0.710 6.453 1.00 0.00 H new ATOM 0 HB2 MET A 111 12.067 -0.672 3.872 1.00 0.00 H new ATOM 0 HB3 MET A 111 11.442 0.871 4.420 1.00 0.00 H new ATOM 0 HG2 MET A 111 13.831 1.719 4.579 1.00 0.00 H new ATOM 0 HG3 MET A 111 14.374 0.205 3.885 1.00 0.00 H new ATOM 0 HE1 MET A 111 12.899 3.892 1.788 1.00 0.00 H new ATOM 0 HE2 MET A 111 11.850 3.306 3.101 1.00 0.00 H new ATOM 0 HE3 MET A 111 13.567 3.646 3.419 1.00 0.00 H new ATOM 1674 N GLY A 112 10.937 -2.031 5.927 1.00 0.00 N ATOM 1675 CA GLY A 112 9.867 -2.966 6.280 1.00 0.00 C ATOM 1676 C GLY A 112 8.687 -2.416 7.096 1.00 0.00 C ATOM 1677 O GLY A 112 8.177 -3.078 7.992 1.00 0.00 O ATOM 0 H GLY A 112 11.404 -2.306 5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.470 -3.388 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.310 -3.788 6.841 1.00 0.00 H new ATOM 1681 N PHE A 113 8.283 -1.182 6.727 1.00 0.00 N ATOM 1682 CA PHE A 113 7.152 -0.532 7.384 1.00 0.00 C ATOM 1683 C PHE A 113 5.870 -0.965 6.640 1.00 0.00 C ATOM 1684 O PHE A 113 4.759 -0.657 7.054 1.00 0.00 O ATOM 1685 CB PHE A 113 7.345 0.995 7.450 1.00 0.00 C ATOM 1686 CG PHE A 113 7.931 1.599 6.198 1.00 0.00 C ATOM 1687 CD1 PHE A 113 7.255 1.555 4.980 1.00 0.00 C ATOM 1688 CD2 PHE A 113 9.172 2.227 6.252 1.00 0.00 C ATOM 1689 CE1 PHE A 113 7.811 2.126 3.842 1.00 0.00 C ATOM 1690 CE2 PHE A 113 9.725 2.804 5.119 1.00 0.00 C ATOM 1691 CZ PHE A 113 9.045 2.751 3.912 1.00 0.00 C ATOM 0 H PHE A 113 8.721 -0.631 5.989 1.00 0.00 H new ATOM 0 HA PHE A 113 7.071 -0.843 8.425 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.381 1.463 7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.995 1.232 8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.290 1.073 4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.710 2.265 7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 113 7.281 2.082 2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.685 3.295 5.177 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.477 3.196 3.028 1.00 0.00 H new ATOM 1701 N ASP A 114 6.103 -1.695 5.530 1.00 0.00 N ATOM 1702 CA ASP A 114 5.090 -2.245 4.663 1.00 0.00 C ATOM 1703 C ASP A 114 5.086 -3.738 5.002 1.00 0.00 C ATOM 1704 O ASP A 114 6.136 -4.343 5.186 1.00 0.00 O ATOM 1705 CB ASP A 114 5.499 -2.002 3.194 1.00 0.00 C ATOM 1706 CG ASP A 114 6.897 -2.576 2.865 1.00 0.00 C ATOM 1707 OD1 ASP A 114 7.895 -1.916 3.159 1.00 0.00 O ATOM 1708 OD2 ASP A 114 6.969 -3.677 2.318 1.00 0.00 O ATOM 0 H ASP A 114 7.048 -1.916 5.217 1.00 0.00 H new ATOM 0 HA ASP A 114 4.104 -1.799 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.759 -2.456 2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.493 -0.931 2.991 1.00 0.00 H new ATOM 1713 N ARG A 115 3.859 -4.288 5.097 1.00 0.00 N ATOM 1714 CA ARG A 115 3.698 -5.699 5.382 1.00 0.00 C ATOM 1715 C ARG A 115 3.171 -6.244 4.061 1.00 0.00 C ATOM 1716 O ARG A 115 2.842 -5.493 3.151 1.00 0.00 O ATOM 1717 CB ARG A 115 2.755 -5.949 6.583 1.00 0.00 C ATOM 1718 CG ARG A 115 1.902 -4.747 7.037 1.00 0.00 C ATOM 1719 CD ARG A 115 2.687 -3.795 7.951 1.00 0.00 C ATOM 1720 NE ARG A 115 1.800 -2.796 8.534 1.00 0.00 N ATOM 1721 CZ ARG A 115 2.267 -1.844 9.373 1.00 0.00 C ATOM 1722 NH1 ARG A 115 3.562 -1.763 9.673 1.00 0.00 N ATOM 1723 NH2 ARG A 115 1.422 -0.973 9.911 1.00 0.00 N ATOM 0 H ARG A 115 2.986 -3.773 4.980 1.00 0.00 H new ATOM 0 HA ARG A 115 4.617 -6.194 5.695 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.084 -6.769 6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.357 -6.281 7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.551 -4.201 6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.018 -5.108 7.563 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.175 -4.363 8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 115 3.474 -3.302 7.381 1.00 0.00 H new ATOM 0 HE ARG A 115 0.806 -2.815 8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.222 -2.427 9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 115 3.894 -1.037 10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.427 -1.025 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 115 1.767 -0.252 10.545 1.00 0.00 H new ATOM 1737 N VAL A 116 3.128 -7.586 4.002 1.00 0.00 N ATOM 1738 CA VAL A 116 2.620 -8.238 2.806 1.00 0.00 C ATOM 1739 C VAL A 116 1.779 -9.421 3.261 1.00 0.00 C ATOM 1740 O VAL A 116 1.955 -9.959 4.348 1.00 0.00 O ATOM 1741 CB VAL A 116 3.769 -8.692 1.839 1.00 0.00 C ATOM 1742 CG1 VAL A 116 4.667 -7.475 1.459 1.00 0.00 C ATOM 1743 CG2 VAL A 116 4.199 -10.168 1.595 1.00 0.00 C ATOM 0 H VAL A 116 3.430 -8.214 4.747 1.00 0.00 H new ATOM 0 HA VAL A 116 2.018 -7.534 2.231 1.00 0.00 H new ATOM 0 HB VAL A 116 3.295 -9.173 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.460 -7.804 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.062 -6.717 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.108 -7.052 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.019 -10.194 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.525 -10.612 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.354 -10.733 1.201 1.00 0.00 H new ATOM 1753 N TYR A 117 0.871 -9.790 2.339 1.00 0.00 N ATOM 1754 CA TYR A 117 -0.011 -10.913 2.620 1.00 0.00 C ATOM 1755 C TYR A 117 0.655 -12.082 1.862 1.00 0.00 C ATOM 1756 O TYR A 117 0.957 -11.950 0.682 1.00 0.00 O ATOM 1757 CB TYR A 117 -1.434 -10.737 2.067 1.00 0.00 C ATOM 1758 CG TYR A 117 -2.257 -9.568 2.574 1.00 0.00 C ATOM 1759 CD1 TYR A 117 -1.847 -8.246 2.442 1.00 0.00 C ATOM 1760 CD2 TYR A 117 -3.529 -9.799 3.083 1.00 0.00 C ATOM 1761 CE1 TYR A 117 -2.715 -7.196 2.689 1.00 0.00 C ATOM 1762 CE2 TYR A 117 -4.411 -8.765 3.349 1.00 0.00 C ATOM 1763 CZ TYR A 117 -4.022 -7.446 3.114 1.00 0.00 C ATOM 1764 OH TYR A 117 -4.925 -6.408 3.286 1.00 0.00 O ATOM 0 H TYR A 117 0.738 -9.342 1.432 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.126 -11.046 3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -1.362 -10.649 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -1.989 -11.651 2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.832 -8.034 2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.839 -10.815 3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.380 -6.178 2.552 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -5.396 -8.979 3.737 1.00 0.00 H new ATOM 0 HH TYR A 117 -5.808 -6.775 3.502 1.00 0.00 H new ATOM 1774 N PRO A 118 0.887 -13.232 2.566 1.00 0.00 N ATOM 1775 CA PRO A 118 1.524 -14.402 1.964 1.00 0.00 C ATOM 1776 C PRO A 118 0.658 -14.908 0.791 1.00 0.00 C ATOM 1777 O PRO A 118 -0.528 -14.611 0.705 1.00 0.00 O ATOM 1778 CB PRO A 118 1.595 -15.447 3.098 1.00 0.00 C ATOM 1779 CG PRO A 118 1.416 -14.654 4.390 1.00 0.00 C ATOM 1780 CD PRO A 118 0.616 -13.412 3.994 1.00 0.00 C ATOM 0 HA PRO A 118 2.514 -14.189 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.815 -16.200 2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 118 2.550 -15.973 3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 118 0.886 -15.240 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.379 -14.381 4.820 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -0.449 -13.552 4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.928 -12.540 4.569 1.00 0.00 H new ATOM 1788 N PRO A 119 1.308 -15.705 -0.113 1.00 0.00 N ATOM 1789 CA PRO A 119 0.641 -16.288 -1.274 1.00 0.00 C ATOM 1790 C PRO A 119 -0.280 -17.371 -0.691 1.00 0.00 C ATOM 1791 O PRO A 119 0.160 -18.295 -0.017 1.00 0.00 O ATOM 1792 CB PRO A 119 1.779 -16.871 -2.124 1.00 0.00 C ATOM 1793 CG PRO A 119 2.930 -17.099 -1.140 1.00 0.00 C ATOM 1794 CD PRO A 119 2.731 -16.050 -0.045 1.00 0.00 C ATOM 0 HA PRO A 119 0.049 -15.610 -1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 119 1.477 -17.803 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.069 -16.185 -2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.903 -18.108 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.897 -16.980 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.996 -16.446 0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.359 -15.176 -0.216 1.00 0.00 H new ATOM 1802 N GLY A 120 -1.579 -17.175 -0.995 1.00 0.00 N ATOM 1803 CA GLY A 120 -2.623 -18.065 -0.506 1.00 0.00 C ATOM 1804 C GLY A 120 -3.223 -17.423 0.743 1.00 0.00 C ATOM 1805 O GLY A 120 -3.093 -17.896 1.865 1.00 0.00 O ATOM 0 H GLY A 120 -1.918 -16.408 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -3.389 -18.213 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.212 -19.047 -0.273 1.00 0.00 H new ATOM 1809 N THR A 121 -3.881 -16.295 0.422 1.00 0.00 N ATOM 1810 CA THR A 121 -4.528 -15.426 1.378 1.00 0.00 C ATOM 1811 C THR A 121 -5.969 -15.929 1.529 1.00 0.00 C ATOM 1812 O THR A 121 -6.333 -17.028 1.126 1.00 0.00 O ATOM 1813 CB THR A 121 -4.364 -13.979 0.793 1.00 0.00 C ATOM 1814 OG1 THR A 121 -3.327 -13.767 -0.224 1.00 0.00 O ATOM 1815 CG2 THR A 121 -4.294 -12.913 1.905 1.00 0.00 C ATOM 0 H THR A 121 -3.971 -15.968 -0.540 1.00 0.00 H new ATOM 0 HA THR A 121 -4.111 -15.418 2.385 1.00 0.00 H new ATOM 0 HB THR A 121 -5.285 -13.856 0.223 1.00 0.00 H new ATOM 0 HG1 THR A 121 -3.699 -13.948 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 121 -4.180 -11.926 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 121 -5.211 -12.941 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 121 -3.441 -13.118 2.552 1.00 0.00 H new ATOM 1823 N SER A 122 -6.746 -15.024 2.151 1.00 0.00 N ATOM 1824 CA SER A 122 -8.134 -15.224 2.463 1.00 0.00 C ATOM 1825 C SER A 122 -8.639 -13.830 2.879 1.00 0.00 C ATOM 1826 O SER A 122 -7.853 -12.914 3.095 1.00 0.00 O ATOM 1827 CB SER A 122 -8.184 -16.228 3.656 1.00 0.00 C ATOM 1828 OG SER A 122 -7.185 -16.072 4.744 1.00 0.00 O ATOM 0 H SER A 122 -6.396 -14.114 2.450 1.00 0.00 H new ATOM 0 HA SER A 122 -8.738 -15.623 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.176 -16.166 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.080 -17.234 3.250 1.00 0.00 H new ATOM 0 HG SER A 122 -6.729 -15.210 4.648 1.00 0.00 H new ATOM 1834 N PRO A 123 -9.993 -13.679 2.995 1.00 0.00 N ATOM 1835 CA PRO A 123 -10.577 -12.410 3.414 1.00 0.00 C ATOM 1836 C PRO A 123 -10.398 -12.288 4.944 1.00 0.00 C ATOM 1837 O PRO A 123 -10.666 -11.243 5.521 1.00 0.00 O ATOM 1838 CB PRO A 123 -12.070 -12.497 3.044 1.00 0.00 C ATOM 1839 CG PRO A 123 -12.253 -13.853 2.347 1.00 0.00 C ATOM 1840 CD PRO A 123 -11.002 -14.679 2.662 1.00 0.00 C ATOM 0 HA PRO A 123 -10.114 -11.544 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -12.697 -12.427 3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -12.358 -11.677 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -13.150 -14.356 2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -12.371 -13.723 1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -11.175 -15.364 3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -10.698 -15.284 1.808 1.00 0.00 H new ATOM 1848 N GLU A 124 -9.927 -13.407 5.553 1.00 0.00 N ATOM 1849 CA GLU A 124 -9.661 -13.526 6.974 1.00 0.00 C ATOM 1850 C GLU A 124 -8.425 -12.659 7.270 1.00 0.00 C ATOM 1851 O GLU A 124 -8.267 -12.120 8.359 1.00 0.00 O ATOM 1852 CB GLU A 124 -9.463 -15.023 7.311 1.00 0.00 C ATOM 1853 CG GLU A 124 -8.446 -15.321 8.427 1.00 0.00 C ATOM 1854 CD GLU A 124 -8.403 -16.827 8.741 1.00 0.00 C ATOM 1855 OE1 GLU A 124 -7.705 -17.555 8.035 1.00 0.00 O ATOM 1856 OE2 GLU A 124 -9.064 -17.254 9.687 1.00 0.00 O ATOM 0 H GLU A 124 -9.723 -14.263 5.038 1.00 0.00 H new ATOM 0 HA GLU A 124 -10.481 -13.173 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -10.426 -15.443 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -9.147 -15.543 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.456 -14.980 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -8.713 -14.765 9.326 1.00 0.00 H new ATOM 1863 N THR A 125 -7.574 -12.549 6.228 1.00 0.00 N ATOM 1864 CA THR A 125 -6.354 -11.795 6.321 1.00 0.00 C ATOM 1865 C THR A 125 -6.704 -10.304 6.174 1.00 0.00 C ATOM 1866 O THR A 125 -5.918 -9.460 6.583 1.00 0.00 O ATOM 1867 CB THR A 125 -5.405 -12.318 5.194 1.00 0.00 C ATOM 1868 OG1 THR A 125 -5.659 -13.633 4.606 1.00 0.00 O ATOM 1869 CG2 THR A 125 -3.921 -12.150 5.602 1.00 0.00 C ATOM 0 H THR A 125 -7.731 -12.983 5.318 1.00 0.00 H new ATOM 0 HA THR A 125 -5.845 -11.914 7.277 1.00 0.00 H new ATOM 0 HB THR A 125 -5.660 -11.665 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 125 -4.814 -14.022 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 125 -3.280 -12.521 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 125 -3.709 -11.095 5.778 1.00 0.00 H new ATOM 0 HG23 THR A 125 -3.728 -12.716 6.514 1.00 0.00 H new ATOM 1877 N THR A 126 -7.894 -10.000 5.583 1.00 0.00 N ATOM 1878 CA THR A 126 -8.240 -8.602 5.428 1.00 0.00 C ATOM 1879 C THR A 126 -8.845 -8.060 6.722 1.00 0.00 C ATOM 1880 O THR A 126 -8.945 -6.848 6.909 1.00 0.00 O ATOM 1881 CB THR A 126 -9.243 -8.226 4.332 1.00 0.00 C ATOM 1882 OG1 THR A 126 -10.674 -8.390 4.610 1.00 0.00 O ATOM 1883 CG2 THR A 126 -8.803 -8.732 2.938 1.00 0.00 C ATOM 0 H THR A 126 -8.576 -10.673 5.233 1.00 0.00 H new ATOM 0 HA THR A 126 -7.280 -8.170 5.145 1.00 0.00 H new ATOM 0 HB THR A 126 -9.185 -7.138 4.326 1.00 0.00 H new ATOM 0 HG1 THR A 126 -10.841 -9.297 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 126 -9.545 -8.441 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 126 -7.839 -8.293 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 126 -8.714 -9.818 2.957 1.00 0.00 H new ATOM 1891 N ILE A 127 -9.269 -8.994 7.598 1.00 0.00 N ATOM 1892 CA ILE A 127 -9.776 -8.558 8.890 1.00 0.00 C ATOM 1893 C ILE A 127 -8.518 -8.023 9.606 1.00 0.00 C ATOM 1894 O ILE A 127 -8.573 -7.106 10.416 1.00 0.00 O ATOM 1895 CB ILE A 127 -10.445 -9.745 9.650 1.00 0.00 C ATOM 1896 CG1 ILE A 127 -11.261 -10.720 8.783 1.00 0.00 C ATOM 1897 CG2 ILE A 127 -10.656 -9.360 11.151 1.00 0.00 C ATOM 1898 CD1 ILE A 127 -11.936 -11.890 9.529 1.00 0.00 C ATOM 0 H ILE A 127 -9.268 -10.001 7.437 1.00 0.00 H new ATOM 0 HA ILE A 127 -10.556 -7.800 8.823 1.00 0.00 H new ATOM 0 HB ILE A 127 -9.874 -10.647 9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -12.034 -10.153 8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -10.602 -11.134 8.020 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -11.123 -10.192 11.678 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -9.692 -9.137 11.608 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -11.300 -8.483 11.215 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -12.482 -12.509 8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -11.175 -12.492 10.025 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -12.629 -11.496 10.273 1.00 0.00 H new ATOM 1910 N ALA A 128 -7.382 -8.652 9.199 1.00 0.00 N ATOM 1911 CA ALA A 128 -6.086 -8.298 9.701 1.00 0.00 C ATOM 1912 C ALA A 128 -5.521 -7.153 8.845 1.00 0.00 C ATOM 1913 O ALA A 128 -4.437 -6.681 9.146 1.00 0.00 O ATOM 1914 CB ALA A 128 -5.157 -9.522 9.751 1.00 0.00 C ATOM 0 H ALA A 128 -7.371 -9.410 8.517 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.166 -7.947 10.730 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.182 -9.223 10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.588 -10.280 10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -5.041 -9.932 8.748 1.00 0.00 H new ATOM 1920 N ASP A 129 -6.255 -6.692 7.798 1.00 0.00 N ATOM 1921 CA ASP A 129 -5.748 -5.602 6.975 1.00 0.00 C ATOM 1922 C ASP A 129 -5.649 -4.348 7.853 1.00 0.00 C ATOM 1923 O ASP A 129 -4.581 -3.806 8.095 1.00 0.00 O ATOM 1924 CB ASP A 129 -6.675 -5.287 5.781 1.00 0.00 C ATOM 1925 CG ASP A 129 -6.061 -4.335 4.735 1.00 0.00 C ATOM 1926 OD1 ASP A 129 -4.920 -3.900 4.885 1.00 0.00 O ATOM 1927 OD2 ASP A 129 -6.740 -4.043 3.760 1.00 0.00 O ATOM 0 H ASP A 129 -7.168 -7.055 7.523 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.779 -5.902 6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.946 -6.222 5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.598 -4.846 6.159 1.00 0.00 H new ATOM 1932 N MET A 130 -6.849 -3.940 8.302 1.00 0.00 N ATOM 1933 CA MET A 130 -6.993 -2.727 9.090 1.00 0.00 C ATOM 1934 C MET A 130 -6.687 -3.012 10.567 1.00 0.00 C ATOM 1935 O MET A 130 -6.576 -2.063 11.330 1.00 0.00 O ATOM 1936 CB MET A 130 -8.417 -2.159 8.901 1.00 0.00 C ATOM 1937 CG MET A 130 -8.587 -1.313 7.630 1.00 0.00 C ATOM 1938 SD MET A 130 -8.061 -2.173 6.145 1.00 0.00 S ATOM 1939 CE MET A 130 -6.462 -1.387 5.883 1.00 0.00 C ATOM 0 H MET A 130 -7.723 -4.437 8.128 1.00 0.00 H new ATOM 0 HA MET A 130 -6.278 -1.979 8.748 1.00 0.00 H new ATOM 0 HB2 MET A 130 -9.126 -2.986 8.873 1.00 0.00 H new ATOM 0 HB3 MET A 130 -8.672 -1.550 9.768 1.00 0.00 H new ATOM 0 HG2 MET A 130 -9.634 -1.027 7.527 1.00 0.00 H new ATOM 0 HG3 MET A 130 -8.014 -0.392 7.733 1.00 0.00 H new ATOM 0 HE1 MET A 130 -6.245 -1.352 4.816 1.00 0.00 H new ATOM 0 HE2 MET A 130 -6.485 -0.373 6.282 1.00 0.00 H new ATOM 0 HE3 MET A 130 -5.687 -1.960 6.392 1.00 0.00 H new ATOM 1949 N LYS A 131 -6.556 -4.297 10.969 1.00 0.00 N ATOM 1950 CA LYS A 131 -6.287 -4.560 12.380 1.00 0.00 C ATOM 1951 C LYS A 131 -4.766 -4.590 12.600 1.00 0.00 C ATOM 1952 O LYS A 131 -4.264 -3.982 13.534 1.00 0.00 O ATOM 1953 CB LYS A 131 -6.989 -5.851 12.824 1.00 0.00 C ATOM 1954 CG LYS A 131 -6.837 -6.160 14.319 1.00 0.00 C ATOM 1955 CD LYS A 131 -7.757 -7.301 14.777 1.00 0.00 C ATOM 1956 CE LYS A 131 -7.479 -8.631 14.065 1.00 0.00 C ATOM 1957 NZ LYS A 131 -8.343 -9.703 14.544 1.00 0.00 N ATOM 0 H LYS A 131 -6.629 -5.118 10.368 1.00 0.00 H new ATOM 0 HA LYS A 131 -6.694 -3.764 13.004 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -8.050 -5.777 12.585 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -6.590 -6.686 12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -5.801 -6.426 14.529 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -7.059 -5.263 14.897 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -7.642 -7.442 15.852 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.794 -7.014 14.603 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -7.622 -8.504 12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -6.437 -8.911 14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -8.120 -10.582 14.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -8.189 -9.844 15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.337 -9.449 14.376 1.00 0.00 H new ATOM 1970 N GLU A 132 -4.051 -5.307 11.703 1.00 0.00 N ATOM 1971 CA GLU A 132 -2.599 -5.460 11.817 1.00 0.00 C ATOM 1972 C GLU A 132 -1.924 -4.086 11.778 1.00 0.00 C ATOM 1973 O GLU A 132 -0.943 -3.841 12.468 1.00 0.00 O ATOM 1974 CB GLU A 132 -2.039 -6.392 10.725 1.00 0.00 C ATOM 1975 CG GLU A 132 -0.552 -6.732 10.921 1.00 0.00 C ATOM 1976 CD GLU A 132 -0.050 -7.692 9.826 1.00 0.00 C ATOM 1977 OE1 GLU A 132 -0.566 -8.806 9.737 1.00 0.00 O ATOM 1978 OE2 GLU A 132 0.852 -7.319 9.077 1.00 0.00 O ATOM 0 H GLU A 132 -4.462 -5.783 10.900 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.378 -5.929 12.776 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.618 -7.316 10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -2.172 -5.921 9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.038 -5.816 10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.406 -7.186 11.901 1.00 0.00 H new ATOM 1985 N VAL A 133 -2.511 -3.227 10.933 1.00 0.00 N ATOM 1986 CA VAL A 133 -2.018 -1.868 10.736 1.00 0.00 C ATOM 1987 C VAL A 133 -2.658 -0.893 11.752 1.00 0.00 C ATOM 1988 O VAL A 133 -2.007 -0.447 12.689 1.00 0.00 O ATOM 1989 CB VAL A 133 -2.214 -1.488 9.223 1.00 0.00 C ATOM 1990 CG1 VAL A 133 -1.848 0.008 8.969 1.00 0.00 C ATOM 1991 CG2 VAL A 133 -2.026 -2.470 8.046 1.00 0.00 C ATOM 0 H VAL A 133 -3.333 -3.457 10.374 1.00 0.00 H new ATOM 0 HA VAL A 133 -0.950 -1.796 10.944 1.00 0.00 H new ATOM 0 HB VAL A 133 -3.286 -1.668 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -1.993 0.244 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -2.489 0.648 9.575 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.806 0.179 9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.222 -1.954 7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.003 -2.847 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.720 -3.304 8.154 1.00 0.00 H new ATOM 2001 N LEU A 134 -3.950 -0.585 11.498 1.00 0.00 N ATOM 2002 CA LEU A 134 -4.710 0.345 12.325 1.00 0.00 C ATOM 2003 C LEU A 134 -5.412 -0.429 13.451 1.00 0.00 C ATOM 2004 O LEU A 134 -6.627 -0.356 13.599 1.00 0.00 O ATOM 2005 CB LEU A 134 -5.713 1.126 11.458 1.00 0.00 C ATOM 2006 CG LEU A 134 -5.046 2.052 10.395 1.00 0.00 C ATOM 2007 CD1 LEU A 134 -6.167 2.637 9.489 1.00 0.00 C ATOM 2008 CD2 LEU A 134 -3.685 2.770 10.546 1.00 0.00 C ATOM 0 H LEU A 134 -4.480 -0.976 10.719 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.037 1.071 12.780 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -6.366 0.417 10.949 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -6.345 1.732 12.108 1.00 0.00 H new ATOM 0 HG LEU A 134 -4.340 1.403 9.877 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -5.723 3.289 8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.698 1.823 8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.866 3.210 10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -3.476 3.347 9.645 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -3.720 3.439 11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.898 2.031 10.694 1.00 0.00 H new ATOM 2020 N GLY A 135 -4.602 -1.151 14.248 1.00 0.00 N ATOM 2021 CA GLY A 135 -5.169 -1.893 15.373 1.00 0.00 C ATOM 2022 C GLY A 135 -4.083 -2.301 16.373 1.00 0.00 C ATOM 2023 O GLY A 135 -4.292 -2.301 17.580 1.00 0.00 O ATOM 0 H GLY A 135 -3.591 -1.232 14.136 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.918 -1.280 15.875 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.680 -2.782 15.004 1.00 0.00 H new ATOM 2027 N VAL A 136 -2.915 -2.639 15.787 1.00 0.00 N ATOM 2028 CA VAL A 136 -1.749 -3.042 16.558 1.00 0.00 C ATOM 2029 C VAL A 136 -0.514 -2.539 15.803 1.00 0.00 C ATOM 2030 O VAL A 136 -0.567 -2.245 14.615 1.00 0.00 O ATOM 2031 CB VAL A 136 -1.725 -4.597 16.745 1.00 0.00 C ATOM 2032 CG1 VAL A 136 -0.997 -4.964 18.073 1.00 0.00 C ATOM 2033 CG2 VAL A 136 -2.646 -5.580 15.973 1.00 0.00 C ATOM 0 H VAL A 136 -2.767 -2.637 14.778 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.771 -2.612 17.560 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.214 -5.046 15.893 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.985 -6.047 18.194 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.027 -4.591 18.042 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -1.523 -4.510 18.913 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.431 -6.602 16.286 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -3.689 -5.347 16.188 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.466 -5.483 14.902 1.00 0.00 H new ATOM 2043 N GLU A 137 0.583 -2.439 16.585 1.00 0.00 N ATOM 2044 CA GLU A 137 1.883 -1.997 16.113 1.00 0.00 C ATOM 2045 C GLU A 137 1.728 -0.527 15.672 1.00 0.00 C ATOM 2046 O GLU A 137 1.677 -0.259 14.471 1.00 0.00 O ATOM 2047 CB GLU A 137 2.429 -2.954 15.030 1.00 0.00 C ATOM 2048 CG GLU A 137 2.460 -4.435 15.451 1.00 0.00 C ATOM 2049 CD GLU A 137 3.344 -4.663 16.691 1.00 0.00 C ATOM 2050 OE1 GLU A 137 4.567 -4.661 16.551 1.00 0.00 O ATOM 2051 OE2 GLU A 137 2.801 -4.841 17.781 1.00 0.00 O ATOM 2052 OXT GLU A 137 1.661 0.340 16.543 1.00 0.00 O ATOM 0 H GLU A 137 0.574 -2.671 17.578 1.00 0.00 H new ATOM 0 HA GLU A 137 2.642 -2.031 16.895 1.00 0.00 H new ATOM 0 HB2 GLU A 137 1.817 -2.856 14.133 1.00 0.00 H new ATOM 0 HB3 GLU A 137 3.439 -2.643 14.763 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.446 -4.773 15.662 1.00 0.00 H new ATOM 0 HG3 GLU A 137 2.832 -5.039 14.624 1.00 0.00 H new TER 2059 GLU A 137 HETATM 2060 N4 FOP A 138 -4.383 -15.890 -11.340 1.00 0.00 N HETATM 2061 C5 FOP A 138 -4.096 -15.912 -9.906 1.00 0.00 C HETATM 2062 C6 FOP A 138 -5.308 -16.247 -9.018 1.00 0.00 C HETATM 2063 C7 FOP A 138 -5.758 -17.703 -9.218 1.00 0.00 C HETATM 2064 O7 FOP A 138 -5.008 -16.017 -7.654 1.00 0.00 O HETATM 0 H73 FOP A 138 -6.038 -17.858 -10.260 1.00 0.00 H new HETATM 0 H72 FOP A 138 -4.940 -18.375 -8.958 1.00 0.00 H new HETATM 0 H71 FOP A 138 -6.616 -17.910 -8.578 1.00 0.00 H new HETATM 0 H6 FOP A 138 -6.126 -15.590 -9.315 1.00 0.00 H new HETATM 0 H52 FOP A 138 -3.310 -16.643 -9.717 1.00 0.00 H new HETATM 0 H51 FOP A 138 -3.704 -14.938 -9.612 1.00 0.00 H new HETATM 0 H43 FOP A 138 -3.532 -15.661 -11.854 1.00 0.00 H new HETATM 0 H42 FOP A 138 -4.721 -16.806 -11.634 1.00 0.00 H new HETATM 0 H41 FOP A 138 -5.096 -15.187 -11.534 1.00 0.00 H new HETATM 2074 P DBI A 139 -6.224 -16.217 -6.654 1.00 0.00 P HETATM 2075 O1P DBI A 139 -7.598 -15.947 -7.387 1.00 0.00 O HETATM 2076 O2P DBI A 139 -6.210 -17.696 -6.098 1.00 0.00 O HETATM 2077 O3' DBI A 139 -6.114 -15.206 -5.442 1.00 0.00 O HETATM 2078 O5' DBI A 139 -6.957 -15.848 -2.643 1.00 0.00 O HETATM 2079 C5' DBI A 139 -5.676 -15.401 -2.280 1.00 0.00 C HETATM 2080 C4' DBI A 139 -5.057 -14.540 -3.381 1.00 0.00 C HETATM 2081 O4' DBI A 139 -3.745 -14.160 -3.031 1.00 0.00 O HETATM 2082 C1' DBI A 139 -3.053 -13.822 -4.220 1.00 0.00 C HETATM 2083 N1 DBI A 139 -2.934 -12.382 -4.425 1.00 0.00 N HETATM 2084 C8 DBI A 139 -3.246 -11.302 -3.593 1.00 0.00 C HETATM 2085 C7 DBI A 139 -3.837 -11.158 -2.361 1.00 0.00 C HETATM 2086 C6 DBI A 139 -3.972 -9.899 -1.755 1.00 0.00 C HETATM 2087 C11 DBI A 139 -4.585 -9.787 -0.385 1.00 0.00 C HETATM 2088 C10 DBI A 139 -3.629 -7.355 -1.864 1.00 0.00 C HETATM 2089 C5 DBI A 139 -3.528 -8.755 -2.436 1.00 0.00 C HETATM 2090 C4 DBI A 139 -2.944 -8.919 -3.686 1.00 0.00 C HETATM 2091 C9 DBI A 139 -2.790 -10.138 -4.261 1.00 0.00 C HETATM 2092 N3 DBI A 139 -2.235 -10.518 -5.464 1.00 0.00 N HETATM 2093 C2 DBI A 139 -2.313 -11.854 -5.494 1.00 0.00 C HETATM 2094 C2' DBI A 139 -3.755 -14.572 -5.374 1.00 0.00 C HETATM 2095 O2' DBI A 139 -4.236 -13.739 -6.409 1.00 0.00 O HETATM 2096 C3' DBI A 139 -4.914 -15.274 -4.706 1.00 0.00 C HETATM 0 HO21 DBI A 139 -4.498 -14.289 -7.177 1.00 0.00 H new HETATM 0 H5'2 DBI A 139 -5.737 -14.826 -1.356 1.00 0.00 H new HETATM 0 H5'1 DBI A 139 -5.032 -16.258 -2.080 1.00 0.00 H new HETATM 0 H113 DBI A 139 -5.602 -10.179 -0.408 1.00 0.00 H new HETATM 0 H112 DBI A 139 -3.991 -10.360 0.327 1.00 0.00 H new HETATM 0 H111 DBI A 139 -4.606 -8.741 -0.080 1.00 0.00 H new HETATM 0 H103 DBI A 139 -4.675 -7.116 -1.670 1.00 0.00 H new HETATM 0 H102 DBI A 139 -3.066 -7.301 -0.932 1.00 0.00 H new HETATM 0 H101 DBI A 139 -3.219 -6.640 -2.578 1.00 0.00 H new HETATM 0 HO5 DBI A 139 -7.071 -15.761 -3.612 1.00 0.00 H new HETATM 0 H7 DBI A 139 -4.209 -12.041 -1.842 1.00 0.00 H new HETATM 0 H4' DBI A 139 -5.734 -13.692 -3.488 1.00 0.00 H new HETATM 0 H4 DBI A 139 -2.597 -8.037 -4.224 1.00 0.00 H new HETATM 0 H3' DBI A 139 -4.723 -16.342 -4.606 1.00 0.00 H new HETATM 0 H2' DBI A 139 -3.046 -15.235 -5.870 1.00 0.00 H new HETATM 0 H2 DBI A 139 -1.911 -12.457 -6.308 1.00 0.00 H new HETATM 0 H1' DBI A 139 -2.012 -14.140 -4.162 1.00 0.00 H new