USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN : amide:sc= -7.77! C(o=-8.7!,f=-22!) USER MOD Set 1.2: A 24 TYR OH : rot 71:sc= -0.925 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.355 (180deg=-1.77!) USER MOD Single : A 1 MET N :NH3+ -111:sc= -0.254 (180deg=-1.41!) USER MOD Single : A 4 ASN : amide:sc= -1.29! C(o=-1.3!,f=-5.6!) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.168 F(o=-0.98,f=-0.17) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 154:sc= -1.03 (180deg=-1.17) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -160:sc= -5.14! USER MOD Single : A 19 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.53) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -7.14! C(o=-7.1!,f=-8.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -4.28! C(o=-4.3!,f=-4.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -172:sc= -10.3! (180deg=-10.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 59 ASN : amide:sc= 0.903 K(o=0.9,f=-1.2) USER MOD Single : A 62 THR OG1 : rot 130:sc= -0.341 USER MOD Single : A 63 THR OG1 : rot 160:sc= -2.69! USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -150:sc= -2.37! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -32:sc= -0.459 USER MOD Single : A 76 LYS NZ :NH3+ 162:sc=-0.00949 (180deg=-0.118) USER MOD Single : A 80 MET CE :methyl -166:sc= -10.3! (180deg=-11.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.248 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -62:sc= 1.17 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -83:sc= 1.04 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0584 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0391 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.526 -22.481 -3.015 1.00 0.00 N ATOM 2 CA MET A 1 -14.233 -21.740 -3.055 1.00 0.00 C ATOM 3 C MET A 1 -13.875 -21.380 -4.499 1.00 0.00 C ATOM 4 O MET A 1 -14.731 -21.064 -5.302 1.00 0.00 O ATOM 5 CB MET A 1 -13.204 -22.706 -2.471 1.00 0.00 C ATOM 6 CG MET A 1 -13.009 -23.884 -3.429 1.00 0.00 C ATOM 7 SD MET A 1 -12.516 -25.350 -2.489 1.00 0.00 S ATOM 8 CE MET A 1 -11.327 -24.531 -1.397 1.00 0.00 C ATOM 0 H1 MET A 1 -16.254 -21.886 -2.571 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.819 -22.721 -3.984 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.409 -23.354 -2.463 1.00 0.00 H new ATOM 0 HA MET A 1 -14.275 -20.805 -2.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.256 -22.192 -2.312 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.539 -23.066 -1.498 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.933 -24.081 -3.973 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.248 -23.641 -4.171 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.636 -25.270 -0.992 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.769 -23.784 -1.962 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.859 -24.045 -0.579 1.00 0.00 H new ATOM 20 N ALA A 2 -12.614 -21.425 -4.836 1.00 0.00 N ATOM 21 CA ALA A 2 -12.203 -21.085 -6.229 1.00 0.00 C ATOM 22 C ALA A 2 -12.619 -19.653 -6.569 1.00 0.00 C ATOM 23 O ALA A 2 -13.143 -18.935 -5.741 1.00 0.00 O ATOM 24 CB ALA A 2 -12.945 -22.086 -7.116 1.00 0.00 C ATOM 0 H ALA A 2 -11.852 -21.682 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.123 -21.141 -6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.695 -21.902 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.650 -23.100 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.020 -21.971 -6.974 1.00 0.00 H new ATOM 30 N GLU A 3 -12.390 -19.231 -7.784 1.00 0.00 N ATOM 31 CA GLU A 3 -12.774 -17.844 -8.176 1.00 0.00 C ATOM 32 C GLU A 3 -12.247 -16.838 -7.149 1.00 0.00 C ATOM 33 O GLU A 3 -11.452 -17.170 -6.291 1.00 0.00 O ATOM 34 CB GLU A 3 -14.303 -17.846 -8.190 1.00 0.00 C ATOM 35 CG GLU A 3 -14.800 -18.330 -9.553 1.00 0.00 C ATOM 36 CD GLU A 3 -15.518 -19.671 -9.389 1.00 0.00 C ATOM 37 OE1 GLU A 3 -15.115 -20.434 -8.526 1.00 0.00 O ATOM 38 OE2 GLU A 3 -16.458 -19.912 -10.128 1.00 0.00 O ATOM 0 H GLU A 3 -11.954 -19.786 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.358 -17.558 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.684 -18.495 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.680 -16.844 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.477 -17.594 -9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.961 -18.437 -10.241 1.00 0.00 H new ATOM 45 N ASN A 4 -12.684 -15.611 -7.229 1.00 0.00 N ATOM 46 CA ASN A 4 -12.207 -14.585 -6.257 1.00 0.00 C ATOM 47 C ASN A 4 -12.459 -15.058 -4.822 1.00 0.00 C ATOM 48 O ASN A 4 -12.833 -16.190 -4.588 1.00 0.00 O ATOM 49 CB ASN A 4 -13.034 -13.336 -6.563 1.00 0.00 C ATOM 50 CG ASN A 4 -14.479 -13.555 -6.110 1.00 0.00 C ATOM 51 OD1 ASN A 4 -14.748 -13.660 -4.930 1.00 0.00 O ATOM 52 ND2 ASN A 4 -15.426 -13.630 -7.005 1.00 0.00 N ATOM 0 H ASN A 4 -13.350 -15.274 -7.924 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.137 -14.397 -6.346 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.609 -12.472 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -13.005 -13.121 -7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -16.392 -13.777 -6.714 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -15.200 -13.542 -7.996 1.00 0.00 H new ATOM 59 N GLY A 5 -12.256 -14.199 -3.861 1.00 0.00 N ATOM 60 CA GLY A 5 -12.484 -14.600 -2.444 1.00 0.00 C ATOM 61 C GLY A 5 -12.165 -13.422 -1.522 1.00 0.00 C ATOM 62 O GLY A 5 -11.529 -12.466 -1.918 1.00 0.00 O ATOM 0 H GLY A 5 -11.942 -13.238 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.519 -14.914 -2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.856 -15.454 -2.191 1.00 0.00 H new ATOM 66 N ASP A 6 -12.603 -13.483 -0.293 1.00 0.00 N ATOM 67 CA ASP A 6 -12.324 -12.364 0.653 1.00 0.00 C ATOM 68 C ASP A 6 -13.053 -11.095 0.200 1.00 0.00 C ATOM 69 O ASP A 6 -12.953 -10.684 -0.938 1.00 0.00 O ATOM 70 CB ASP A 6 -10.809 -12.164 0.594 1.00 0.00 C ATOM 71 CG ASP A 6 -10.242 -12.131 2.014 1.00 0.00 C ATOM 72 OD1 ASP A 6 -10.327 -11.088 2.641 1.00 0.00 O ATOM 73 OD2 ASP A 6 -9.732 -13.149 2.450 1.00 0.00 O ATOM 0 H ASP A 6 -13.141 -14.257 0.096 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.666 -12.582 1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.347 -12.971 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.574 -11.234 0.076 1.00 0.00 H new ATOM 78 N ASN A 7 -13.783 -10.472 1.085 1.00 0.00 N ATOM 79 CA ASN A 7 -14.518 -9.232 0.703 1.00 0.00 C ATOM 80 C ASN A 7 -14.464 -8.212 1.844 1.00 0.00 C ATOM 81 O ASN A 7 -13.866 -7.161 1.722 1.00 0.00 O ATOM 82 CB ASN A 7 -15.957 -9.685 0.456 1.00 0.00 C ATOM 83 CG ASN A 7 -16.466 -9.076 -0.853 1.00 0.00 C ATOM 84 OD1 ASN A 7 -15.983 -7.933 -1.257 1.00 0.00 O flip ATOM 85 ND2 ASN A 7 -17.311 -9.646 -1.513 1.00 0.00 N flip ATOM 0 H ASN A 7 -13.902 -10.767 2.054 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.086 -8.750 -0.174 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.004 -10.773 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -16.594 -9.377 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -17.688 -10.539 -1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -17.644 -9.231 -2.384 1.00 0.00 H new ATOM 92 N GLU A 8 -15.084 -8.513 2.952 1.00 0.00 N ATOM 93 CA GLU A 8 -15.068 -7.560 4.098 1.00 0.00 C ATOM 94 C GLU A 8 -13.632 -7.342 4.585 1.00 0.00 C ATOM 95 O GLU A 8 -13.183 -6.224 4.743 1.00 0.00 O ATOM 96 CB GLU A 8 -15.906 -8.233 5.185 1.00 0.00 C ATOM 97 CG GLU A 8 -17.303 -7.609 5.212 1.00 0.00 C ATOM 98 CD GLU A 8 -17.184 -6.092 5.375 1.00 0.00 C ATOM 99 OE1 GLU A 8 -16.781 -5.661 6.442 1.00 0.00 O ATOM 100 OE2 GLU A 8 -17.496 -5.388 4.429 1.00 0.00 O ATOM 0 H GLU A 8 -15.601 -9.377 3.113 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.463 -6.581 3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.978 -9.304 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.424 -8.115 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.836 -7.845 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.884 -8.029 6.033 1.00 0.00 H new ATOM 107 N LYS A 9 -12.908 -8.402 4.820 1.00 0.00 N ATOM 108 CA LYS A 9 -11.503 -8.254 5.295 1.00 0.00 C ATOM 109 C LYS A 9 -10.717 -7.352 4.339 1.00 0.00 C ATOM 110 O LYS A 9 -9.976 -6.485 4.757 1.00 0.00 O ATOM 111 CB LYS A 9 -10.931 -9.671 5.287 1.00 0.00 C ATOM 112 CG LYS A 9 -9.417 -9.612 5.502 1.00 0.00 C ATOM 113 CD LYS A 9 -9.008 -10.645 6.554 1.00 0.00 C ATOM 114 CE LYS A 9 -9.528 -12.024 6.144 1.00 0.00 C ATOM 115 NZ LYS A 9 -8.447 -12.974 6.530 1.00 0.00 N ATOM 0 H LYS A 9 -13.228 -9.363 4.704 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.446 -7.798 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.397 -10.267 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.156 -10.160 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.898 -9.808 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.124 -8.613 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.923 -10.669 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.411 -10.367 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.462 -12.261 6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.728 -12.068 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.731 -13.943 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.572 -12.728 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.283 -12.915 7.555 1.00 0.00 H new ATOM 129 N MET A 10 -10.875 -7.550 3.059 1.00 0.00 N ATOM 130 CA MET A 10 -10.139 -6.702 2.078 1.00 0.00 C ATOM 131 C MET A 10 -10.526 -5.234 2.254 1.00 0.00 C ATOM 132 O MET A 10 -9.708 -4.344 2.120 1.00 0.00 O ATOM 133 CB MET A 10 -10.574 -7.212 0.703 1.00 0.00 C ATOM 134 CG MET A 10 -9.972 -6.324 -0.386 1.00 0.00 C ATOM 135 SD MET A 10 -9.826 -7.269 -1.923 1.00 0.00 S ATOM 136 CE MET A 10 -8.040 -7.552 -1.846 1.00 0.00 C ATOM 0 H MET A 10 -11.481 -8.261 2.650 1.00 0.00 H new ATOM 0 HA MET A 10 -9.059 -6.763 2.210 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.249 -8.243 0.567 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.662 -7.208 0.630 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.600 -5.447 -0.544 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.992 -5.962 -0.075 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.791 -8.459 -2.398 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.518 -6.703 -2.288 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.734 -7.665 -0.806 1.00 0.00 H new ATOM 146 N ALA A 11 -11.765 -4.975 2.557 1.00 0.00 N ATOM 147 CA ALA A 11 -12.206 -3.563 2.748 1.00 0.00 C ATOM 148 C ALA A 11 -11.387 -2.909 3.863 1.00 0.00 C ATOM 149 O ALA A 11 -10.800 -1.860 3.683 1.00 0.00 O ATOM 150 CB ALA A 11 -13.679 -3.656 3.147 1.00 0.00 C ATOM 0 H ALA A 11 -12.493 -5.678 2.681 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.068 -2.959 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.077 -2.654 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.241 -4.148 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.771 -4.233 4.067 1.00 0.00 H new ATOM 156 N ALA A 12 -11.337 -3.525 5.012 1.00 0.00 N ATOM 157 CA ALA A 12 -10.548 -2.943 6.133 1.00 0.00 C ATOM 158 C ALA A 12 -9.052 -3.068 5.836 1.00 0.00 C ATOM 159 O ALA A 12 -8.260 -2.227 6.215 1.00 0.00 O ATOM 160 CB ALA A 12 -10.924 -3.778 7.358 1.00 0.00 C ATOM 0 H ALA A 12 -11.808 -4.405 5.222 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.758 -1.884 6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.382 -3.410 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.996 -3.698 7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.662 -4.821 7.182 1.00 0.00 H new ATOM 166 N LEU A 13 -8.661 -4.112 5.157 1.00 0.00 N ATOM 167 CA LEU A 13 -7.218 -4.294 4.831 1.00 0.00 C ATOM 168 C LEU A 13 -6.762 -3.217 3.842 1.00 0.00 C ATOM 169 O LEU A 13 -5.621 -2.799 3.847 1.00 0.00 O ATOM 170 CB LEU A 13 -7.129 -5.681 4.192 1.00 0.00 C ATOM 171 CG LEU A 13 -5.661 -6.047 3.968 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.334 -7.334 4.728 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.412 -6.262 2.474 1.00 0.00 C ATOM 0 H LEU A 13 -9.279 -4.847 4.814 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.580 -4.209 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.605 -6.421 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.666 -5.691 3.244 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.026 -5.239 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.288 -7.595 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.512 -7.183 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.969 -8.142 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.366 -6.523 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.047 -7.070 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.645 -5.346 1.931 1.00 0.00 H new ATOM 185 N GLU A 14 -7.646 -2.765 2.995 1.00 0.00 N ATOM 186 CA GLU A 14 -7.265 -1.715 2.008 1.00 0.00 C ATOM 187 C GLU A 14 -6.788 -0.456 2.736 1.00 0.00 C ATOM 188 O GLU A 14 -5.776 0.125 2.396 1.00 0.00 O ATOM 189 CB GLU A 14 -8.544 -1.429 1.221 1.00 0.00 C ATOM 190 CG GLU A 14 -8.192 -0.732 -0.094 1.00 0.00 C ATOM 191 CD GLU A 14 -9.470 -0.474 -0.895 1.00 0.00 C ATOM 192 OE1 GLU A 14 -10.148 -1.436 -1.214 1.00 0.00 O ATOM 193 OE2 GLU A 14 -9.748 0.680 -1.173 1.00 0.00 O ATOM 0 H GLU A 14 -8.616 -3.077 2.944 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.450 -2.034 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.075 -2.359 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.213 -0.801 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.680 0.209 0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.506 -1.350 -0.673 1.00 0.00 H new ATOM 200 N ALA A 15 -7.508 -0.030 3.739 1.00 0.00 N ATOM 201 CA ALA A 15 -7.093 1.188 4.490 1.00 0.00 C ATOM 202 C ALA A 15 -5.762 0.935 5.204 1.00 0.00 C ATOM 203 O ALA A 15 -4.899 1.789 5.254 1.00 0.00 O ATOM 204 CB ALA A 15 -8.209 1.430 5.505 1.00 0.00 C ATOM 0 H ALA A 15 -8.365 -0.473 4.070 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.947 2.048 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.975 2.314 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.151 1.584 4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.297 0.565 6.162 1.00 0.00 H new ATOM 210 N LYS A 16 -5.590 -0.235 5.756 1.00 0.00 N ATOM 211 CA LYS A 16 -4.317 -0.546 6.464 1.00 0.00 C ATOM 212 C LYS A 16 -3.130 -0.392 5.510 1.00 0.00 C ATOM 213 O LYS A 16 -2.083 0.101 5.879 1.00 0.00 O ATOM 214 CB LYS A 16 -4.460 -2.002 6.912 1.00 0.00 C ATOM 215 CG LYS A 16 -5.104 -2.049 8.298 1.00 0.00 C ATOM 216 CD LYS A 16 -4.082 -1.611 9.350 1.00 0.00 C ATOM 217 CE LYS A 16 -3.427 -2.847 9.970 1.00 0.00 C ATOM 218 NZ LYS A 16 -3.186 -2.480 11.393 1.00 0.00 N ATOM 0 H LYS A 16 -6.277 -0.989 5.747 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.137 0.124 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.069 -2.555 6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.482 -2.483 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.976 -1.395 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.455 -3.058 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.324 -0.975 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.571 -1.019 10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.076 -3.719 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.495 -3.096 9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.738 -3.278 11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.560 -1.651 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.092 -2.254 11.852 1.00 0.00 H new ATOM 232 N ILE A 17 -3.286 -0.812 4.284 1.00 0.00 N ATOM 233 CA ILE A 17 -2.168 -0.690 3.306 1.00 0.00 C ATOM 234 C ILE A 17 -1.804 0.782 3.098 1.00 0.00 C ATOM 235 O ILE A 17 -0.646 1.150 3.089 1.00 0.00 O ATOM 236 CB ILE A 17 -2.712 -1.297 2.013 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.766 -2.820 2.152 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.795 -0.923 0.846 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.611 -3.407 1.021 1.00 0.00 C ATOM 0 H ILE A 17 -4.139 -1.234 3.918 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.263 -1.193 3.646 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.714 -0.912 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.758 -3.234 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.192 -3.093 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.184 -1.356 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.755 0.162 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.793 -1.308 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.649 -4.492 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.622 -3.002 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.166 -3.146 0.061 1.00 0.00 H new ATOM 251 N CYS A 18 -2.783 1.628 2.934 1.00 0.00 N ATOM 252 CA CYS A 18 -2.490 3.076 2.731 1.00 0.00 C ATOM 253 C CYS A 18 -1.793 3.648 3.967 1.00 0.00 C ATOM 254 O CYS A 18 -0.889 4.454 3.867 1.00 0.00 O ATOM 255 CB CYS A 18 -3.856 3.733 2.535 1.00 0.00 C ATOM 256 SG CYS A 18 -3.689 5.151 1.422 1.00 0.00 S ATOM 0 H CYS A 18 -3.772 1.380 2.932 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.829 3.250 1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.562 3.013 2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.257 4.056 3.496 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.706 5.946 1.576 1.00 0.00 H new ATOM 262 N HIS A 19 -2.206 3.235 5.133 1.00 0.00 N ATOM 263 CA HIS A 19 -1.570 3.752 6.379 1.00 0.00 C ATOM 264 C HIS A 19 -0.090 3.368 6.417 1.00 0.00 C ATOM 265 O HIS A 19 0.743 4.125 6.875 1.00 0.00 O ATOM 266 CB HIS A 19 -2.332 3.080 7.522 1.00 0.00 C ATOM 267 CG HIS A 19 -3.187 4.100 8.223 1.00 0.00 C ATOM 268 ND1 HIS A 19 -2.762 5.402 8.433 1.00 0.00 N ATOM 269 CD2 HIS A 19 -4.444 4.022 8.770 1.00 0.00 C ATOM 270 CE1 HIS A 19 -3.748 6.050 9.080 1.00 0.00 C ATOM 271 NE2 HIS A 19 -4.797 5.256 9.310 1.00 0.00 N ATOM 0 H HIS A 19 -2.958 2.561 5.278 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.615 4.839 6.445 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.954 2.273 7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.631 2.631 8.226 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.064 3.138 8.780 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.697 7.087 9.377 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.669 5.501 9.780 1.00 0.00 H new ATOM 279 N GLN A 20 0.252 2.203 5.940 1.00 0.00 N ATOM 280 CA GLN A 20 1.686 1.798 5.958 1.00 0.00 C ATOM 281 C GLN A 20 2.491 2.748 5.071 1.00 0.00 C ATOM 282 O GLN A 20 3.500 3.295 5.482 1.00 0.00 O ATOM 283 CB GLN A 20 1.708 0.381 5.386 1.00 0.00 C ATOM 284 CG GLN A 20 0.848 -0.535 6.258 1.00 0.00 C ATOM 285 CD GLN A 20 1.751 -1.488 7.044 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.882 -1.720 6.666 1.00 0.00 O ATOM 287 NE2 GLN A 20 1.296 -2.052 8.130 1.00 0.00 N ATOM 0 H GLN A 20 -0.392 1.520 5.542 1.00 0.00 H new ATOM 0 HA GLN A 20 2.121 1.833 6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.332 0.385 4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.732 0.009 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.245 0.060 6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.156 -1.103 5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.346 -1.857 8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.890 -2.688 8.662 1.00 0.00 H new ATOM 296 N ILE A 21 2.037 2.979 3.869 1.00 0.00 N ATOM 297 CA ILE A 21 2.768 3.916 2.977 1.00 0.00 C ATOM 298 C ILE A 21 2.847 5.275 3.665 1.00 0.00 C ATOM 299 O ILE A 21 3.832 5.980 3.576 1.00 0.00 O ATOM 300 CB ILE A 21 1.932 4.002 1.704 1.00 0.00 C ATOM 301 CG1 ILE A 21 1.818 2.611 1.074 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.612 4.953 0.721 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.167 2.206 0.478 1.00 0.00 C ATOM 0 H ILE A 21 1.196 2.561 3.470 1.00 0.00 H new ATOM 0 HA ILE A 21 3.784 3.590 2.754 1.00 0.00 H new ATOM 0 HB ILE A 21 0.935 4.373 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.508 1.885 1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.052 2.614 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.019 5.019 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.696 5.942 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.607 4.578 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.084 1.216 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.458 2.927 -0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.921 2.186 1.265 1.00 0.00 H new ATOM 315 N GLU A 22 1.812 5.627 4.374 1.00 0.00 N ATOM 316 CA GLU A 22 1.808 6.921 5.103 1.00 0.00 C ATOM 317 C GLU A 22 2.956 6.944 6.116 1.00 0.00 C ATOM 318 O GLU A 22 3.545 7.969 6.378 1.00 0.00 O ATOM 319 CB GLU A 22 0.455 6.975 5.814 1.00 0.00 C ATOM 320 CG GLU A 22 -0.651 7.221 4.786 1.00 0.00 C ATOM 321 CD GLU A 22 -0.952 8.719 4.707 1.00 0.00 C ATOM 322 OE1 GLU A 22 -0.046 9.469 4.386 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.085 9.090 4.968 1.00 0.00 O ATOM 0 H GLU A 22 0.964 5.069 4.479 1.00 0.00 H new ATOM 0 HA GLU A 22 1.946 7.776 4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.273 6.040 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.456 7.769 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.343 6.849 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.551 6.673 5.066 1.00 0.00 H new ATOM 330 N TYR A 23 3.271 5.823 6.700 1.00 0.00 N ATOM 331 CA TYR A 23 4.377 5.800 7.700 1.00 0.00 C ATOM 332 C TYR A 23 5.707 6.223 7.059 1.00 0.00 C ATOM 333 O TYR A 23 6.446 7.005 7.623 1.00 0.00 O ATOM 334 CB TYR A 23 4.447 4.351 8.184 1.00 0.00 C ATOM 335 CG TYR A 23 5.766 4.118 8.881 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.985 4.634 10.164 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.772 3.387 8.242 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.210 4.419 10.806 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.997 3.170 8.880 1.00 0.00 C ATOM 340 CZ TYR A 23 8.216 3.686 10.164 1.00 0.00 C ATOM 341 OH TYR A 23 9.425 3.474 10.795 1.00 0.00 O ATOM 0 H TYR A 23 2.815 4.926 6.531 1.00 0.00 H new ATOM 0 HA TYR A 23 4.197 6.497 8.519 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.622 4.143 8.865 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.344 3.669 7.340 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.208 5.198 10.659 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.602 2.989 7.253 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.379 4.818 11.795 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.773 2.606 8.384 1.00 0.00 H new ATOM 0 HH TYR A 23 10.010 2.946 10.212 1.00 0.00 H new ATOM 351 N TYR A 24 6.029 5.723 5.890 1.00 0.00 N ATOM 352 CA TYR A 24 7.328 6.130 5.257 1.00 0.00 C ATOM 353 C TYR A 24 7.216 7.522 4.627 1.00 0.00 C ATOM 354 O TYR A 24 8.141 8.309 4.667 1.00 0.00 O ATOM 355 CB TYR A 24 7.646 5.113 4.154 1.00 0.00 C ATOM 356 CG TYR A 24 6.999 3.785 4.430 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.639 2.841 5.240 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.763 3.494 3.857 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.033 1.601 5.476 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.156 2.262 4.091 1.00 0.00 C ATOM 361 CZ TYR A 24 5.789 1.311 4.902 1.00 0.00 C ATOM 362 OH TYR A 24 5.190 0.090 5.133 1.00 0.00 O ATOM 0 H TYR A 24 5.464 5.064 5.354 1.00 0.00 H new ATOM 0 HA TYR A 24 8.110 6.157 6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.300 5.495 3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.726 4.984 4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.598 3.068 5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.274 4.225 3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.524 0.869 6.100 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.197 2.040 3.647 1.00 0.00 H new ATOM 0 HH TYR A 24 4.881 0.048 6.062 1.00 0.00 H new ATOM 372 N PHE A 25 6.104 7.814 4.012 1.00 0.00 N ATOM 373 CA PHE A 25 5.950 9.142 3.335 1.00 0.00 C ATOM 374 C PHE A 25 5.002 10.071 4.099 1.00 0.00 C ATOM 375 O PHE A 25 5.044 11.275 3.940 1.00 0.00 O ATOM 376 CB PHE A 25 5.352 8.810 1.968 1.00 0.00 C ATOM 377 CG PHE A 25 6.445 8.383 1.020 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.361 9.325 0.538 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.539 7.046 0.619 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.372 8.929 -0.345 1.00 0.00 C ATOM 381 CE2 PHE A 25 7.549 6.649 -0.264 1.00 0.00 C ATOM 382 CZ PHE A 25 8.466 7.591 -0.747 1.00 0.00 C ATOM 0 H PHE A 25 5.295 7.196 3.946 1.00 0.00 H new ATOM 0 HA PHE A 25 6.905 9.665 3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.614 8.014 2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.831 9.680 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.288 10.357 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.831 6.320 0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.080 9.655 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.621 5.617 -0.573 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.245 7.285 -1.429 1.00 0.00 H new ATOM 392 N GLY A 26 4.143 9.530 4.914 1.00 0.00 N ATOM 393 CA GLY A 26 3.188 10.390 5.673 1.00 0.00 C ATOM 394 C GLY A 26 3.893 11.669 6.120 1.00 0.00 C ATOM 395 O GLY A 26 3.438 12.765 5.855 1.00 0.00 O ATOM 0 H GLY A 26 4.059 8.529 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.329 10.636 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.808 9.850 6.540 1.00 0.00 H new ATOM 399 N ASP A 27 5.001 11.536 6.795 1.00 0.00 N ATOM 400 CA ASP A 27 5.747 12.739 7.266 1.00 0.00 C ATOM 401 C ASP A 27 6.769 12.334 8.331 1.00 0.00 C ATOM 402 O ASP A 27 7.681 13.073 8.642 1.00 0.00 O ATOM 403 CB ASP A 27 4.686 13.664 7.869 1.00 0.00 C ATOM 404 CG ASP A 27 5.349 14.657 8.825 1.00 0.00 C ATOM 405 OD1 ASP A 27 6.469 15.055 8.550 1.00 0.00 O ATOM 406 OD2 ASP A 27 4.726 15.002 9.815 1.00 0.00 O ATOM 0 H ASP A 27 5.425 10.642 7.042 1.00 0.00 H new ATOM 0 HA ASP A 27 6.295 13.226 6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.165 14.201 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.938 13.076 8.401 1.00 0.00 H new ATOM 411 N PHE A 28 6.619 11.170 8.902 1.00 0.00 N ATOM 412 CA PHE A 28 7.577 10.724 9.952 1.00 0.00 C ATOM 413 C PHE A 28 8.864 10.186 9.326 1.00 0.00 C ATOM 414 O PHE A 28 9.954 10.494 9.767 1.00 0.00 O ATOM 415 CB PHE A 28 6.847 9.613 10.707 1.00 0.00 C ATOM 416 CG PHE A 28 7.769 9.020 11.746 1.00 0.00 C ATOM 417 CD1 PHE A 28 8.679 8.020 11.384 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.716 9.472 13.069 1.00 0.00 C ATOM 419 CE1 PHE A 28 9.535 7.471 12.347 1.00 0.00 C ATOM 420 CE2 PHE A 28 8.572 8.923 14.032 1.00 0.00 C ATOM 421 CZ PHE A 28 9.481 7.922 13.671 1.00 0.00 C ATOM 0 H PHE A 28 5.873 10.508 8.686 1.00 0.00 H new ATOM 0 HA PHE A 28 7.871 11.545 10.606 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.952 10.011 11.185 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.520 8.840 10.011 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.721 7.672 10.363 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.015 10.245 13.348 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.237 6.699 12.068 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.531 9.272 15.053 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.140 7.498 14.414 1.00 0.00 H new ATOM 431 N ASN A 29 8.749 9.360 8.327 1.00 0.00 N ATOM 432 CA ASN A 29 9.971 8.772 7.698 1.00 0.00 C ATOM 433 C ASN A 29 10.702 9.779 6.800 1.00 0.00 C ATOM 434 O ASN A 29 11.909 9.739 6.680 1.00 0.00 O ATOM 435 CB ASN A 29 9.455 7.599 6.875 1.00 0.00 C ATOM 436 CG ASN A 29 9.828 6.288 7.572 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.009 5.400 7.702 1.00 0.00 O ATOM 438 ND2 ASN A 29 11.039 6.130 8.032 1.00 0.00 N ATOM 0 H ASN A 29 7.864 9.064 7.916 1.00 0.00 H new ATOM 0 HA ASN A 29 10.699 8.473 8.452 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.373 7.668 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.884 7.626 5.873 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.297 5.261 8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.727 6.875 7.923 1.00 0.00 H new ATOM 445 N LEU A 30 9.995 10.661 6.146 1.00 0.00 N ATOM 446 CA LEU A 30 10.689 11.627 5.239 1.00 0.00 C ATOM 447 C LEU A 30 11.740 12.438 6.007 1.00 0.00 C ATOM 448 O LEU A 30 12.856 12.582 5.549 1.00 0.00 O ATOM 449 CB LEU A 30 9.584 12.540 4.697 1.00 0.00 C ATOM 450 CG LEU A 30 8.491 11.692 4.047 1.00 0.00 C ATOM 451 CD1 LEU A 30 7.534 12.600 3.274 1.00 0.00 C ATOM 452 CD2 LEU A 30 9.132 10.690 3.083 1.00 0.00 C ATOM 0 H LEU A 30 8.981 10.756 6.197 1.00 0.00 H new ATOM 0 HA LEU A 30 11.221 11.117 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.162 13.137 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.999 13.237 3.969 1.00 0.00 H new ATOM 0 HG LEU A 30 7.939 11.155 4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.754 11.996 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.079 13.316 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.085 13.136 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.354 10.084 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.682 11.228 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.816 10.043 3.632 1.00 0.00 H new ATOM 464 N PRO A 31 11.363 12.934 7.153 1.00 0.00 N ATOM 465 CA PRO A 31 12.310 13.723 7.979 1.00 0.00 C ATOM 466 C PRO A 31 13.533 12.874 8.344 1.00 0.00 C ATOM 467 O PRO A 31 14.600 13.391 8.613 1.00 0.00 O ATOM 468 CB PRO A 31 11.513 14.080 9.234 1.00 0.00 C ATOM 469 CG PRO A 31 10.078 13.832 8.890 1.00 0.00 C ATOM 470 CD PRO A 31 10.047 12.816 7.780 1.00 0.00 C ATOM 0 HA PRO A 31 12.684 14.605 7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.823 13.469 10.081 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.673 15.121 9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.533 13.466 9.760 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.594 14.757 8.577 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.877 11.810 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.247 13.025 7.070 1.00 0.00 H new ATOM 478 N ARG A 32 13.387 11.576 8.360 1.00 0.00 N ATOM 479 CA ARG A 32 14.542 10.699 8.712 1.00 0.00 C ATOM 480 C ARG A 32 14.449 9.363 7.965 1.00 0.00 C ATOM 481 O ARG A 32 14.502 8.306 8.559 1.00 0.00 O ATOM 482 CB ARG A 32 14.421 10.475 10.220 1.00 0.00 C ATOM 483 CG ARG A 32 14.641 11.799 10.954 1.00 0.00 C ATOM 484 CD ARG A 32 16.055 12.312 10.670 1.00 0.00 C ATOM 485 NE ARG A 32 16.757 12.249 11.981 1.00 0.00 N ATOM 486 CZ ARG A 32 17.916 12.830 12.131 1.00 0.00 C ATOM 487 NH1 ARG A 32 18.462 13.467 11.131 1.00 0.00 N ATOM 488 NH2 ARG A 32 18.529 12.773 13.282 1.00 0.00 N ATOM 0 H ARG A 32 12.519 11.085 8.145 1.00 0.00 H new ATOM 0 HA ARG A 32 15.496 11.148 8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.437 10.073 10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 32 15.155 9.739 10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.904 12.534 10.629 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.502 11.660 12.026 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.556 11.696 9.924 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.035 13.330 10.281 1.00 0.00 H new ATOM 0 HE ARG A 32 16.332 11.751 12.763 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.983 13.511 10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 32 19.368 13.921 11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.102 12.275 14.063 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.435 13.227 13.400 1.00 0.00 H new ATOM 502 N ASP A 33 14.335 9.405 6.666 1.00 0.00 N ATOM 503 CA ASP A 33 14.268 8.134 5.886 1.00 0.00 C ATOM 504 C ASP A 33 15.622 7.847 5.231 1.00 0.00 C ATOM 505 O ASP A 33 15.918 8.362 4.172 1.00 0.00 O ATOM 506 CB ASP A 33 13.204 8.381 4.815 1.00 0.00 C ATOM 507 CG ASP A 33 12.052 7.391 4.997 1.00 0.00 C ATOM 508 OD1 ASP A 33 12.117 6.600 5.923 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.125 7.441 4.206 1.00 0.00 O ATOM 0 H ASP A 33 14.285 10.260 6.112 1.00 0.00 H new ATOM 0 HA ASP A 33 14.025 7.277 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.833 9.403 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.640 8.268 3.822 1.00 0.00 H new ATOM 514 N LYS A 34 16.449 7.028 5.827 1.00 0.00 N ATOM 515 CA LYS A 34 17.767 6.726 5.194 1.00 0.00 C ATOM 516 C LYS A 34 17.573 5.768 4.021 1.00 0.00 C ATOM 517 O LYS A 34 18.122 5.950 2.952 1.00 0.00 O ATOM 518 CB LYS A 34 18.608 6.062 6.288 1.00 0.00 C ATOM 519 CG LYS A 34 18.312 6.712 7.643 1.00 0.00 C ATOM 520 CD LYS A 34 18.357 8.237 7.504 1.00 0.00 C ATOM 521 CE LYS A 34 19.808 8.689 7.320 1.00 0.00 C ATOM 522 NZ LYS A 34 20.160 9.380 8.592 1.00 0.00 N ATOM 0 H LYS A 34 16.272 6.559 6.715 1.00 0.00 H new ATOM 0 HA LYS A 34 18.249 7.624 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.387 4.995 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.668 6.159 6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.331 6.398 8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.042 6.383 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.755 8.553 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.928 8.707 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.466 7.839 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.908 9.359 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 21.142 9.719 8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.521 10.188 8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.063 8.716 9.386 1.00 0.00 H new ATOM 536 N PHE A 35 16.796 4.744 4.225 1.00 0.00 N ATOM 537 CA PHE A 35 16.556 3.755 3.136 1.00 0.00 C ATOM 538 C PHE A 35 15.709 4.383 2.029 1.00 0.00 C ATOM 539 O PHE A 35 15.974 4.207 0.857 1.00 0.00 O ATOM 540 CB PHE A 35 15.807 2.598 3.801 1.00 0.00 C ATOM 541 CG PHE A 35 14.506 3.102 4.384 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.358 3.159 3.586 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.449 3.508 5.722 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.152 3.621 4.126 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.244 3.972 6.262 1.00 0.00 C ATOM 546 CZ PHE A 35 12.096 4.028 5.463 1.00 0.00 C ATOM 0 H PHE A 35 16.314 4.547 5.102 1.00 0.00 H new ATOM 0 HA PHE A 35 17.484 3.420 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.610 1.813 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.422 2.157 4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.402 2.846 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.335 3.463 6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.265 3.663 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.200 4.287 7.294 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.166 4.386 5.879 1.00 0.00 H new ATOM 556 N LEU A 36 14.696 5.122 2.388 1.00 0.00 N ATOM 557 CA LEU A 36 13.847 5.765 1.348 1.00 0.00 C ATOM 558 C LEU A 36 14.692 6.742 0.529 1.00 0.00 C ATOM 559 O LEU A 36 14.539 6.863 -0.670 1.00 0.00 O ATOM 560 CB LEU A 36 12.760 6.510 2.123 1.00 0.00 C ATOM 561 CG LEU A 36 11.424 6.353 1.396 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.616 6.640 -0.095 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.912 4.922 1.576 1.00 0.00 C ATOM 0 H LEU A 36 14.421 5.308 3.352 1.00 0.00 H new ATOM 0 HA LEU A 36 13.419 5.044 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.684 6.115 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.018 7.565 2.210 1.00 0.00 H new ATOM 0 HG LEU A 36 10.701 7.055 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.663 6.528 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.982 7.658 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.339 5.938 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.960 4.809 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.636 4.221 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.775 4.715 2.637 1.00 0.00 H new ATOM 575 N LYS A 37 15.594 7.434 1.173 1.00 0.00 N ATOM 576 CA LYS A 37 16.464 8.397 0.439 1.00 0.00 C ATOM 577 C LYS A 37 17.337 7.645 -0.568 1.00 0.00 C ATOM 578 O LYS A 37 17.632 8.134 -1.639 1.00 0.00 O ATOM 579 CB LYS A 37 17.329 9.050 1.517 1.00 0.00 C ATOM 580 CG LYS A 37 16.910 10.511 1.694 1.00 0.00 C ATOM 581 CD LYS A 37 17.608 11.374 0.641 1.00 0.00 C ATOM 582 CE LYS A 37 18.978 11.810 1.164 1.00 0.00 C ATOM 583 NZ LYS A 37 19.903 11.637 0.009 1.00 0.00 N ATOM 0 H LYS A 37 15.766 7.373 2.177 1.00 0.00 H new ATOM 0 HA LYS A 37 15.890 9.135 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.221 8.513 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.381 8.994 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.828 10.604 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.171 10.857 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.723 10.813 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.000 12.249 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.960 12.846 1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.289 11.201 2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.865 11.916 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.905 10.640 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.586 12.233 -0.782 1.00 0.00 H new ATOM 597 N GLU A 38 17.743 6.451 -0.230 1.00 0.00 N ATOM 598 CA GLU A 38 18.588 5.658 -1.169 1.00 0.00 C ATOM 599 C GLU A 38 17.740 5.195 -2.356 1.00 0.00 C ATOM 600 O GLU A 38 18.131 5.323 -3.500 1.00 0.00 O ATOM 601 CB GLU A 38 19.073 4.459 -0.353 1.00 0.00 C ATOM 602 CG GLU A 38 20.372 4.825 0.368 1.00 0.00 C ATOM 603 CD GLU A 38 20.712 3.739 1.390 1.00 0.00 C ATOM 604 OE1 GLU A 38 20.755 2.583 1.005 1.00 0.00 O ATOM 605 OE2 GLU A 38 20.924 4.082 2.542 1.00 0.00 O ATOM 0 H GLU A 38 17.527 5.991 0.654 1.00 0.00 H new ATOM 0 HA GLU A 38 19.422 6.234 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.313 4.167 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.236 3.602 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 38 21.184 4.928 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.264 5.788 0.867 1.00 0.00 H new ATOM 612 N GLN A 39 16.577 4.667 -2.089 1.00 0.00 N ATOM 613 CA GLN A 39 15.694 4.202 -3.196 1.00 0.00 C ATOM 614 C GLN A 39 15.131 5.410 -3.949 1.00 0.00 C ATOM 615 O GLN A 39 15.142 5.462 -5.163 1.00 0.00 O ATOM 616 CB GLN A 39 14.573 3.425 -2.506 1.00 0.00 C ATOM 617 CG GLN A 39 15.064 2.019 -2.147 1.00 0.00 C ATOM 618 CD GLN A 39 16.489 2.092 -1.593 1.00 0.00 C ATOM 619 OE1 GLN A 39 16.687 2.373 -0.428 1.00 0.00 O ATOM 620 NE2 GLN A 39 17.496 1.848 -2.386 1.00 0.00 N ATOM 0 H GLN A 39 16.200 4.537 -1.150 1.00 0.00 H new ATOM 0 HA GLN A 39 16.222 3.587 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.254 3.950 -1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.705 3.361 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.400 1.570 -1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 39 15.039 1.379 -3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 39 17.329 1.612 -3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 39 18.450 1.893 -2.028 1.00 0.00 H new ATOM 629 N ILE A 40 14.647 6.385 -3.230 1.00 0.00 N ATOM 630 CA ILE A 40 14.093 7.596 -3.896 1.00 0.00 C ATOM 631 C ILE A 40 15.194 8.289 -4.705 1.00 0.00 C ATOM 632 O ILE A 40 14.968 8.783 -5.792 1.00 0.00 O ATOM 633 CB ILE A 40 13.611 8.494 -2.755 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.645 9.546 -3.305 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.810 9.194 -2.112 1.00 0.00 C ATOM 636 CD1 ILE A 40 12.185 10.462 -2.169 1.00 0.00 C ATOM 0 H ILE A 40 14.611 6.395 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 40 13.285 7.361 -4.589 1.00 0.00 H new ATOM 0 HB ILE A 40 13.101 7.886 -2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.134 10.132 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.785 9.060 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.465 9.833 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.499 8.447 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.321 9.801 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.497 11.211 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.680 9.870 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.050 10.959 -1.729 1.00 0.00 H new ATOM 648 N LYS A 41 16.388 8.324 -4.179 1.00 0.00 N ATOM 649 CA LYS A 41 17.510 8.981 -4.910 1.00 0.00 C ATOM 650 C LYS A 41 17.967 8.105 -6.080 1.00 0.00 C ATOM 651 O LYS A 41 18.497 8.591 -7.060 1.00 0.00 O ATOM 652 CB LYS A 41 18.628 9.119 -3.875 1.00 0.00 C ATOM 653 CG LYS A 41 19.900 9.623 -4.561 1.00 0.00 C ATOM 654 CD LYS A 41 19.852 11.149 -4.667 1.00 0.00 C ATOM 655 CE LYS A 41 20.201 11.572 -6.096 1.00 0.00 C ATOM 656 NZ LYS A 41 19.227 12.648 -6.428 1.00 0.00 N ATOM 0 H LYS A 41 16.636 7.926 -3.273 1.00 0.00 H new ATOM 0 HA LYS A 41 17.221 9.944 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.327 9.812 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.816 8.158 -3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.778 9.315 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.990 9.181 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.859 11.512 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.554 11.595 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.227 11.935 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.115 10.734 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.403 12.990 -7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.259 12.272 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.337 13.435 -5.757 1.00 0.00 H new ATOM 670 N LEU A 42 17.764 6.819 -5.988 1.00 0.00 N ATOM 671 CA LEU A 42 18.186 5.921 -7.101 1.00 0.00 C ATOM 672 C LEU A 42 17.720 6.499 -8.439 1.00 0.00 C ATOM 673 O LEU A 42 18.493 7.073 -9.181 1.00 0.00 O ATOM 674 CB LEU A 42 17.495 4.585 -6.819 1.00 0.00 C ATOM 675 CG LEU A 42 18.532 3.461 -6.838 1.00 0.00 C ATOM 676 CD1 LEU A 42 17.862 2.142 -6.449 1.00 0.00 C ATOM 677 CD2 LEU A 42 19.123 3.336 -8.244 1.00 0.00 C ATOM 0 H LEU A 42 17.326 6.352 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 42 19.269 5.810 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.997 4.618 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.725 4.397 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 42 19.327 3.689 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.601 1.341 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 42 17.440 2.230 -5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.067 1.914 -7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.862 2.535 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.328 3.109 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 42 19.601 4.275 -8.523 1.00 0.00 H new ATOM 689 N ASP A 43 16.460 6.361 -8.748 1.00 0.00 N ATOM 690 CA ASP A 43 15.945 6.912 -10.032 1.00 0.00 C ATOM 691 C ASP A 43 15.398 8.325 -9.803 1.00 0.00 C ATOM 692 O ASP A 43 16.125 9.225 -9.430 1.00 0.00 O ATOM 693 CB ASP A 43 14.827 5.957 -10.454 1.00 0.00 C ATOM 694 CG ASP A 43 14.389 6.284 -11.883 1.00 0.00 C ATOM 695 OD1 ASP A 43 14.906 7.241 -12.436 1.00 0.00 O ATOM 696 OD2 ASP A 43 13.543 5.572 -12.399 1.00 0.00 O ATOM 0 H ASP A 43 15.766 5.891 -8.167 1.00 0.00 H new ATOM 0 HA ASP A 43 16.717 6.987 -10.798 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.174 4.925 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.981 6.047 -9.773 1.00 0.00 H new ATOM 701 N GLU A 44 14.126 8.531 -10.014 1.00 0.00 N ATOM 702 CA GLU A 44 13.547 9.888 -9.797 1.00 0.00 C ATOM 703 C GLU A 44 12.718 9.901 -8.511 1.00 0.00 C ATOM 704 O GLU A 44 11.803 10.686 -8.359 1.00 0.00 O ATOM 705 CB GLU A 44 12.653 10.134 -11.013 1.00 0.00 C ATOM 706 CG GLU A 44 12.349 11.630 -11.127 1.00 0.00 C ATOM 707 CD GLU A 44 11.501 11.886 -12.373 1.00 0.00 C ATOM 708 OE1 GLU A 44 11.903 11.449 -13.440 1.00 0.00 O ATOM 709 OE2 GLU A 44 10.464 12.514 -12.241 1.00 0.00 O ATOM 0 H GLU A 44 13.464 7.820 -10.326 1.00 0.00 H new ATOM 0 HA GLU A 44 14.313 10.657 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.147 9.782 -11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.726 9.570 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.820 11.973 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.278 12.197 -11.184 1.00 0.00 H new ATOM 716 N GLY A 45 13.027 9.033 -7.586 1.00 0.00 N ATOM 717 CA GLY A 45 12.253 8.991 -6.313 1.00 0.00 C ATOM 718 C GLY A 45 11.283 7.814 -6.352 1.00 0.00 C ATOM 719 O GLY A 45 10.708 7.434 -5.352 1.00 0.00 O ATOM 0 H GLY A 45 13.782 8.351 -7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.931 8.891 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.706 9.924 -6.176 1.00 0.00 H new ATOM 723 N TRP A 46 11.091 7.235 -7.505 1.00 0.00 N ATOM 724 CA TRP A 46 10.151 6.087 -7.617 1.00 0.00 C ATOM 725 C TRP A 46 10.673 4.876 -6.838 1.00 0.00 C ATOM 726 O TRP A 46 11.739 4.357 -7.107 1.00 0.00 O ATOM 727 CB TRP A 46 10.084 5.779 -9.112 1.00 0.00 C ATOM 728 CG TRP A 46 9.187 6.772 -9.778 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.541 7.565 -10.816 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.800 7.094 -9.470 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.459 8.354 -11.164 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.362 8.100 -10.364 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.887 6.616 -8.511 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.066 8.614 -10.308 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.581 7.131 -8.454 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.172 8.128 -9.350 1.00 0.00 C ATOM 0 H TRP A 46 11.546 7.509 -8.376 1.00 0.00 H new ATOM 0 HA TRP A 46 9.171 6.320 -7.201 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.082 5.821 -9.549 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.709 4.768 -9.271 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.509 7.580 -11.294 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.470 9.040 -11.919 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.192 5.849 -7.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.756 9.382 -11.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.888 6.756 -7.715 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.167 8.520 -9.300 1.00 0.00 H new ATOM 747 N VAL A 47 9.914 4.419 -5.883 1.00 0.00 N ATOM 748 CA VAL A 47 10.334 3.231 -5.085 1.00 0.00 C ATOM 749 C VAL A 47 9.332 2.100 -5.305 1.00 0.00 C ATOM 750 O VAL A 47 8.144 2.333 -5.338 1.00 0.00 O ATOM 751 CB VAL A 47 10.316 3.687 -3.623 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.415 2.467 -2.702 1.00 0.00 C ATOM 753 CG2 VAL A 47 11.507 4.614 -3.366 1.00 0.00 C ATOM 0 H VAL A 47 9.014 4.819 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 47 11.320 2.864 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 47 9.386 4.219 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.402 2.794 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.569 1.804 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.344 1.934 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.496 4.940 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.435 4.079 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.439 5.484 -4.020 1.00 0.00 H new ATOM 763 N PRO A 48 9.841 0.909 -5.454 1.00 0.00 N ATOM 764 CA PRO A 48 8.979 -0.256 -5.683 1.00 0.00 C ATOM 765 C PRO A 48 8.506 -0.821 -4.347 1.00 0.00 C ATOM 766 O PRO A 48 9.203 -0.777 -3.352 1.00 0.00 O ATOM 767 CB PRO A 48 9.885 -1.245 -6.407 1.00 0.00 C ATOM 768 CG PRO A 48 11.292 -0.778 -6.168 1.00 0.00 C ATOM 769 CD PRO A 48 11.241 0.531 -5.415 1.00 0.00 C ATOM 0 HA PRO A 48 8.081 -0.024 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.741 -2.256 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.659 -1.271 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.846 -1.522 -5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.815 -0.650 -7.116 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.594 0.415 -4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.871 1.286 -5.886 1.00 0.00 H new ATOM 777 N LEU A 49 7.316 -1.326 -4.321 1.00 0.00 N ATOM 778 CA LEU A 49 6.757 -1.879 -3.053 1.00 0.00 C ATOM 779 C LEU A 49 7.616 -3.030 -2.518 1.00 0.00 C ATOM 780 O LEU A 49 7.320 -3.595 -1.486 1.00 0.00 O ATOM 781 CB LEU A 49 5.366 -2.393 -3.423 1.00 0.00 C ATOM 782 CG LEU A 49 4.568 -1.282 -4.106 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.115 -1.727 -4.270 1.00 0.00 C ATOM 784 CD2 LEU A 49 4.619 -0.016 -3.247 1.00 0.00 C ATOM 0 H LEU A 49 6.694 -1.384 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 49 6.731 -1.122 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.451 -3.253 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.843 -2.731 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 49 4.998 -1.074 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.545 -0.936 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.078 -2.629 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.685 -1.934 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.050 0.777 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.188 -0.223 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.655 0.301 -3.128 1.00 0.00 H new ATOM 796 N GLU A 50 8.682 -3.377 -3.188 1.00 0.00 N ATOM 797 CA GLU A 50 9.532 -4.484 -2.667 1.00 0.00 C ATOM 798 C GLU A 50 10.033 -4.104 -1.276 1.00 0.00 C ATOM 799 O GLU A 50 9.990 -4.884 -0.346 1.00 0.00 O ATOM 800 CB GLU A 50 10.697 -4.612 -3.648 1.00 0.00 C ATOM 801 CG GLU A 50 11.524 -3.330 -3.637 1.00 0.00 C ATOM 802 CD GLU A 50 12.602 -3.412 -4.720 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.242 -3.594 -5.872 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.766 -3.290 -4.379 1.00 0.00 O ATOM 0 H GLU A 50 8.997 -2.950 -4.059 1.00 0.00 H new ATOM 0 HA GLU A 50 8.992 -5.427 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.323 -5.462 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.319 -4.804 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.881 -2.468 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.985 -3.190 -2.659 1.00 0.00 H new ATOM 811 N ILE A 51 10.485 -2.894 -1.134 1.00 0.00 N ATOM 812 CA ILE A 51 10.972 -2.421 0.193 1.00 0.00 C ATOM 813 C ILE A 51 9.819 -2.452 1.194 1.00 0.00 C ATOM 814 O ILE A 51 9.985 -2.770 2.354 1.00 0.00 O ATOM 815 CB ILE A 51 11.413 -0.980 -0.038 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.504 -0.937 -1.105 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.955 -0.400 1.265 1.00 0.00 C ATOM 818 CD1 ILE A 51 12.458 0.418 -1.805 1.00 0.00 C ATOM 0 H ILE A 51 10.540 -2.205 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 51 11.779 -3.040 0.586 1.00 0.00 H new ATOM 0 HB ILE A 51 10.559 -0.392 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.482 -1.093 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.356 -1.740 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.271 0.630 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.175 -0.424 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.807 -0.992 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.234 0.459 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.482 0.554 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.625 1.210 -1.075 1.00 0.00 H new ATOM 830 N MET A 52 8.644 -2.143 0.727 1.00 0.00 N ATOM 831 CA MET A 52 7.450 -2.168 1.616 1.00 0.00 C ATOM 832 C MET A 52 6.990 -3.614 1.813 1.00 0.00 C ATOM 833 O MET A 52 6.643 -4.030 2.900 1.00 0.00 O ATOM 834 CB MET A 52 6.385 -1.355 0.878 1.00 0.00 C ATOM 835 CG MET A 52 6.385 0.082 1.406 1.00 0.00 C ATOM 836 SD MET A 52 7.930 0.900 0.934 1.00 0.00 S ATOM 837 CE MET A 52 7.756 2.355 1.997 1.00 0.00 C ATOM 0 H MET A 52 8.457 -1.872 -0.239 1.00 0.00 H new ATOM 0 HA MET A 52 7.653 -1.756 2.604 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.585 -1.360 -0.193 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.403 -1.807 1.021 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.533 0.629 1.002 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.278 0.082 2.491 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.540 3.074 1.761 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.781 2.813 1.830 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.841 2.055 3.041 1.00 0.00 H new ATOM 847 N ILE A 53 6.976 -4.376 0.753 1.00 0.00 N ATOM 848 CA ILE A 53 6.526 -5.793 0.846 1.00 0.00 C ATOM 849 C ILE A 53 7.495 -6.624 1.692 1.00 0.00 C ATOM 850 O ILE A 53 7.225 -7.766 2.004 1.00 0.00 O ATOM 851 CB ILE A 53 6.497 -6.289 -0.603 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.047 -6.523 -1.026 1.00 0.00 C ATOM 853 CG2 ILE A 53 7.277 -7.600 -0.732 1.00 0.00 C ATOM 854 CD1 ILE A 53 4.233 -5.248 -0.796 1.00 0.00 C ATOM 0 H ILE A 53 7.259 -4.075 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 53 5.554 -5.883 1.330 1.00 0.00 H new ATOM 0 HB ILE A 53 6.958 -5.537 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.006 -6.808 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.620 -7.347 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.248 -7.940 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.312 -7.438 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.827 -8.356 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.199 -5.417 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.263 -4.983 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.656 -4.435 -1.387 1.00 0.00 H new ATOM 866 N LYS A 54 8.614 -6.077 2.081 1.00 0.00 N ATOM 867 CA LYS A 54 9.561 -6.868 2.914 1.00 0.00 C ATOM 868 C LYS A 54 9.716 -6.196 4.278 1.00 0.00 C ATOM 869 O LYS A 54 10.128 -6.809 5.244 1.00 0.00 O ATOM 870 CB LYS A 54 10.885 -6.845 2.146 1.00 0.00 C ATOM 871 CG LYS A 54 11.493 -5.443 2.211 1.00 0.00 C ATOM 872 CD LYS A 54 12.850 -5.507 2.914 1.00 0.00 C ATOM 873 CE LYS A 54 12.719 -4.935 4.328 1.00 0.00 C ATOM 874 NZ LYS A 54 13.605 -5.788 5.169 1.00 0.00 N ATOM 0 H LYS A 54 8.911 -5.126 1.861 1.00 0.00 H new ATOM 0 HA LYS A 54 9.219 -7.888 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.576 -7.572 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.720 -7.133 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.611 -5.039 1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.825 -4.770 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.200 -6.538 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.591 -4.942 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.028 -3.890 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.687 -4.974 4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.570 -5.459 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.283 -6.776 5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.582 -5.726 4.818 1.00 0.00 H new ATOM 888 N PHE A 55 9.377 -4.938 4.365 1.00 0.00 N ATOM 889 CA PHE A 55 9.491 -4.223 5.665 1.00 0.00 C ATOM 890 C PHE A 55 8.548 -4.865 6.687 1.00 0.00 C ATOM 891 O PHE A 55 7.416 -5.186 6.384 1.00 0.00 O ATOM 892 CB PHE A 55 9.073 -2.780 5.362 1.00 0.00 C ATOM 893 CG PHE A 55 10.291 -1.885 5.388 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.146 -1.906 6.497 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.568 -1.033 4.307 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.276 -1.080 6.527 1.00 0.00 C ATOM 897 CE2 PHE A 55 11.699 -0.208 4.339 1.00 0.00 C ATOM 898 CZ PHE A 55 12.552 -0.231 5.448 1.00 0.00 C ATOM 0 H PHE A 55 9.026 -4.375 3.590 1.00 0.00 H new ATOM 0 HA PHE A 55 10.496 -4.267 6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.591 -2.727 4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.343 -2.440 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.933 -2.560 7.330 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.909 -1.014 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.935 -1.098 7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.913 0.447 3.507 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.424 0.406 5.472 1.00 0.00 H new ATOM 908 N ASN A 56 9.009 -5.064 7.891 1.00 0.00 N ATOM 909 CA ASN A 56 8.141 -5.699 8.927 1.00 0.00 C ATOM 910 C ASN A 56 6.842 -4.909 9.100 1.00 0.00 C ATOM 911 O ASN A 56 5.851 -5.424 9.579 1.00 0.00 O ATOM 912 CB ASN A 56 8.968 -5.655 10.213 1.00 0.00 C ATOM 913 CG ASN A 56 9.521 -7.049 10.514 1.00 0.00 C ATOM 914 OD1 ASN A 56 8.770 -7.983 10.709 1.00 0.00 O ATOM 915 ND2 ASN A 56 10.812 -7.229 10.561 1.00 0.00 N ATOM 0 H ASN A 56 9.948 -4.815 8.204 1.00 0.00 H new ATOM 0 HA ASN A 56 7.855 -6.715 8.655 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.786 -4.943 10.107 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.351 -5.310 11.043 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.191 -8.155 10.762 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.443 -6.444 10.397 1.00 0.00 H new ATOM 922 N ARG A 57 6.838 -3.661 8.722 1.00 0.00 N ATOM 923 CA ARG A 57 5.602 -2.841 8.875 1.00 0.00 C ATOM 924 C ARG A 57 4.527 -3.281 7.874 1.00 0.00 C ATOM 925 O ARG A 57 3.365 -3.387 8.209 1.00 0.00 O ATOM 926 CB ARG A 57 6.044 -1.406 8.586 1.00 0.00 C ATOM 927 CG ARG A 57 5.229 -0.438 9.446 1.00 0.00 C ATOM 928 CD ARG A 57 5.806 0.972 9.313 1.00 0.00 C ATOM 929 NE ARG A 57 7.009 0.977 10.191 1.00 0.00 N ATOM 930 CZ ARG A 57 6.871 1.009 11.489 1.00 0.00 C ATOM 931 NH1 ARG A 57 5.679 1.040 12.019 1.00 0.00 N ATOM 932 NH2 ARG A 57 7.926 1.009 12.257 1.00 0.00 N ATOM 0 H ARG A 57 7.636 -3.173 8.314 1.00 0.00 H new ATOM 0 HA ARG A 57 5.164 -2.948 9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.107 -1.292 8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.904 -1.177 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.185 -0.446 9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.251 -0.755 10.489 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.070 1.195 8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.084 1.726 9.627 1.00 0.00 H new ATOM 0 HE ARG A 57 7.941 0.955 9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.854 1.039 11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.572 1.065 13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.858 0.984 11.843 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.819 1.034 13.271 1.00 0.00 H new ATOM 946 N LEU A 58 4.899 -3.528 6.647 1.00 0.00 N ATOM 947 CA LEU A 58 3.885 -3.947 5.633 1.00 0.00 C ATOM 948 C LEU A 58 4.000 -5.445 5.332 1.00 0.00 C ATOM 949 O LEU A 58 3.010 -6.143 5.232 1.00 0.00 O ATOM 950 CB LEU A 58 4.212 -3.125 4.387 1.00 0.00 C ATOM 951 CG LEU A 58 2.915 -2.621 3.752 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.197 -1.341 2.962 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.362 -3.690 2.806 1.00 0.00 C ATOM 0 H LEU A 58 5.857 -3.459 6.302 1.00 0.00 H new ATOM 0 HA LEU A 58 2.867 -3.779 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.851 -2.282 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.767 -3.733 3.672 1.00 0.00 H new ATOM 0 HG LEU A 58 2.185 -2.413 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.273 -0.982 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.593 -0.579 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.927 -1.550 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.438 -3.332 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.093 -3.897 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.161 -4.603 3.366 1.00 0.00 H new ATOM 965 N ASN A 59 5.195 -5.946 5.179 1.00 0.00 N ATOM 966 CA ASN A 59 5.359 -7.398 4.877 1.00 0.00 C ATOM 967 C ASN A 59 4.663 -8.246 5.944 1.00 0.00 C ATOM 968 O ASN A 59 4.323 -9.391 5.717 1.00 0.00 O ATOM 969 CB ASN A 59 6.868 -7.642 4.899 1.00 0.00 C ATOM 970 CG ASN A 59 7.141 -9.148 4.919 1.00 0.00 C ATOM 971 OD1 ASN A 59 7.088 -9.772 5.960 1.00 0.00 O ATOM 972 ND2 ASN A 59 7.431 -9.761 3.805 1.00 0.00 N ATOM 0 H ASN A 59 6.063 -5.415 5.250 1.00 0.00 H new ATOM 0 HA ASN A 59 4.916 -7.670 3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.333 -7.189 4.024 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.311 -7.170 5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.613 -10.765 3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.475 -9.237 2.931 1.00 0.00 H new ATOM 979 N ARG A 60 4.451 -7.697 7.108 1.00 0.00 N ATOM 980 CA ARG A 60 3.779 -8.474 8.188 1.00 0.00 C ATOM 981 C ARG A 60 2.258 -8.337 8.079 1.00 0.00 C ATOM 982 O ARG A 60 1.525 -8.746 8.957 1.00 0.00 O ATOM 983 CB ARG A 60 4.281 -7.854 9.492 1.00 0.00 C ATOM 984 CG ARG A 60 3.631 -8.567 10.679 1.00 0.00 C ATOM 985 CD ARG A 60 2.770 -7.574 11.464 1.00 0.00 C ATOM 986 NE ARG A 60 3.199 -7.731 12.882 1.00 0.00 N ATOM 987 CZ ARG A 60 2.864 -8.801 13.551 1.00 0.00 C ATOM 988 NH1 ARG A 60 2.154 -9.735 12.978 1.00 0.00 N ATOM 989 NH2 ARG A 60 3.240 -8.938 14.792 1.00 0.00 N ATOM 0 H ARG A 60 4.714 -6.744 7.358 1.00 0.00 H new ATOM 0 HA ARG A 60 4.003 -9.539 8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.366 -7.938 9.553 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.042 -6.791 9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.018 -9.397 10.327 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.399 -8.990 11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.926 -6.553 11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.709 -7.792 11.346 1.00 0.00 H new ATOM 0 HE ARG A 60 3.755 -7.002 13.330 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.861 -9.629 12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.893 -10.571 13.501 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.796 -8.209 15.240 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.978 -9.774 15.315 1.00 0.00 H new ATOM 1003 N LEU A 61 1.775 -7.761 7.010 1.00 0.00 N ATOM 1004 CA LEU A 61 0.300 -7.599 6.857 1.00 0.00 C ATOM 1005 C LEU A 61 -0.157 -8.096 5.481 1.00 0.00 C ATOM 1006 O LEU A 61 -0.697 -9.178 5.350 1.00 0.00 O ATOM 1007 CB LEU A 61 0.051 -6.096 6.994 1.00 0.00 C ATOM 1008 CG LEU A 61 -0.959 -5.846 8.113 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -2.218 -6.677 7.862 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -0.342 -6.249 9.455 1.00 0.00 C ATOM 0 H LEU A 61 2.336 -7.397 6.239 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.254 -8.176 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.986 -5.580 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.324 -5.692 6.054 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.221 -4.788 8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.938 -6.498 8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.658 -6.391 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.957 -7.735 7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.061 -6.071 10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.079 -7.307 9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.555 -5.656 9.636 1.00 0.00 H new ATOM 1022 N THR A 62 0.048 -7.314 4.456 1.00 0.00 N ATOM 1023 CA THR A 62 -0.384 -7.742 3.093 1.00 0.00 C ATOM 1024 C THR A 62 0.823 -8.205 2.271 1.00 0.00 C ATOM 1025 O THR A 62 1.015 -9.383 2.043 1.00 0.00 O ATOM 1026 CB THR A 62 -1.009 -6.493 2.469 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.185 -6.145 3.187 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.363 -6.770 1.007 1.00 0.00 C ATOM 0 H THR A 62 0.495 -6.398 4.502 1.00 0.00 H new ATOM 0 HA THR A 62 -1.082 -8.578 3.126 1.00 0.00 H new ATOM 0 HB THR A 62 -0.297 -5.669 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.155 -5.194 3.423 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.808 -5.878 0.565 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.460 -7.035 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.074 -7.594 0.955 1.00 0.00 H new ATOM 1036 N THR A 63 1.633 -7.285 1.823 1.00 0.00 N ATOM 1037 CA THR A 63 2.829 -7.663 1.013 1.00 0.00 C ATOM 1038 C THR A 63 2.405 -8.097 -0.395 1.00 0.00 C ATOM 1039 O THR A 63 3.224 -8.441 -1.223 1.00 0.00 O ATOM 1040 CB THR A 63 3.479 -8.826 1.762 1.00 0.00 C ATOM 1041 OG1 THR A 63 3.200 -8.705 3.151 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.991 -8.795 1.538 1.00 0.00 C ATOM 0 H THR A 63 1.519 -6.284 1.983 1.00 0.00 H new ATOM 0 HA THR A 63 3.518 -6.827 0.892 1.00 0.00 H new ATOM 0 HB THR A 63 3.079 -9.770 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.323 -9.574 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.455 -9.624 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.203 -8.885 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.395 -7.853 1.909 1.00 0.00 H new ATOM 1050 N ASP A 64 1.133 -8.077 -0.678 1.00 0.00 N ATOM 1051 CA ASP A 64 0.672 -8.480 -2.037 1.00 0.00 C ATOM 1052 C ASP A 64 0.748 -7.276 -2.979 1.00 0.00 C ATOM 1053 O ASP A 64 -0.068 -6.378 -2.919 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.777 -8.930 -1.853 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.843 -10.458 -1.870 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.347 -11.063 -0.935 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.388 -10.997 -2.819 1.00 0.00 O ATOM 0 H ASP A 64 0.395 -7.800 -0.031 1.00 0.00 H new ATOM 0 HA ASP A 64 1.284 -9.272 -2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.170 -8.549 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.400 -8.520 -2.648 1.00 0.00 H new ATOM 1062 N PHE A 65 1.727 -7.242 -3.842 1.00 0.00 N ATOM 1063 CA PHE A 65 1.854 -6.086 -4.774 1.00 0.00 C ATOM 1064 C PHE A 65 0.498 -5.756 -5.404 1.00 0.00 C ATOM 1065 O PHE A 65 0.115 -4.610 -5.501 1.00 0.00 O ATOM 1066 CB PHE A 65 2.846 -6.539 -5.847 1.00 0.00 C ATOM 1067 CG PHE A 65 4.251 -6.525 -5.290 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.661 -5.497 -4.430 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.149 -7.542 -5.639 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.966 -5.488 -3.922 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.453 -7.531 -5.131 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.862 -6.504 -4.272 1.00 0.00 C ATOM 0 H PHE A 65 2.442 -7.962 -3.942 1.00 0.00 H new ATOM 0 HA PHE A 65 2.193 -5.186 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.591 -7.542 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.783 -5.881 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.971 -4.712 -4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.835 -8.335 -6.301 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.281 -4.696 -3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.144 -8.315 -5.402 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.868 -6.496 -3.880 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.233 -6.746 -5.841 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.558 -6.463 -6.465 1.00 0.00 C ATOM 1084 C ASN A 66 -2.560 -6.008 -5.401 1.00 0.00 C ATOM 1085 O ASN A 66 -3.305 -5.069 -5.598 1.00 0.00 O ATOM 1086 CB ASN A 66 -1.996 -7.791 -7.081 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.963 -7.684 -8.606 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -2.993 -7.585 -9.242 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -0.814 -7.699 -9.224 1.00 0.00 N ATOM 0 H ASN A 66 0.027 -7.731 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.503 -5.667 -7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.337 -8.593 -6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.002 -8.045 -6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.781 -7.628 -10.241 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.051 -7.782 -8.690 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.578 -6.660 -4.271 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.526 -6.256 -3.192 1.00 0.00 C ATOM 1098 C VAL A 67 -3.082 -4.931 -2.567 1.00 0.00 C ATOM 1099 O VAL A 67 -3.881 -4.053 -2.308 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.461 -7.384 -2.162 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.542 -7.171 -1.101 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.693 -8.726 -2.862 1.00 0.00 C ATOM 0 H VAL A 67 -1.978 -7.454 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.538 -6.106 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.480 -7.385 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.495 -7.976 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.379 -6.215 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.523 -7.170 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.647 -9.531 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.674 -8.724 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.924 -8.880 -3.619 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.810 -4.788 -2.313 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.302 -3.531 -1.694 1.00 0.00 C ATOM 1114 C ILE A 68 -1.519 -2.340 -2.631 1.00 0.00 C ATOM 1115 O ILE A 68 -1.986 -1.296 -2.223 1.00 0.00 O ATOM 1116 CB ILE A 68 0.189 -3.788 -1.472 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.736 -2.789 -0.444 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.947 -3.644 -2.793 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.825 -1.922 -1.085 1.00 0.00 C ATOM 0 H ILE A 68 -1.097 -5.491 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.820 -3.286 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 68 0.326 -4.802 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.071 -2.158 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.143 -3.324 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.008 -3.829 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.562 -4.366 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.811 -2.635 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.208 -1.216 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.638 -2.558 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.405 -1.375 -1.929 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.182 -2.487 -3.880 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.367 -1.357 -4.841 1.00 0.00 C ATOM 1133 C VAL A 69 -2.857 -1.094 -5.079 1.00 0.00 C ATOM 1134 O VAL A 69 -3.273 0.032 -5.268 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.694 -1.806 -6.138 1.00 0.00 C ATOM 1136 CG1 VAL A 69 0.757 -2.197 -5.858 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.446 -3.007 -6.715 1.00 0.00 C ATOM 0 H VAL A 69 -0.787 -3.338 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.936 -0.431 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.713 -0.986 -6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.233 -2.516 -6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.293 -1.339 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.781 -3.014 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.966 -3.327 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.430 -3.826 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.479 -2.725 -6.921 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.661 -2.121 -5.078 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.120 -1.921 -5.313 1.00 0.00 C ATOM 1149 C GLU A 70 -5.700 -0.966 -4.266 1.00 0.00 C ATOM 1150 O GLU A 70 -6.531 -0.133 -4.566 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.739 -3.312 -5.171 1.00 0.00 C ATOM 1152 CG GLU A 70 -7.146 -3.309 -5.770 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.099 -3.883 -7.186 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -6.127 -3.628 -7.877 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.037 -4.571 -7.557 1.00 0.00 O ATOM 0 H GLU A 70 -3.373 -3.087 -4.925 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.324 -1.482 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.118 -4.051 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.781 -3.597 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.818 -3.900 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.542 -2.294 -5.791 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.268 -1.079 -3.041 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.796 -0.173 -1.980 1.00 0.00 C ATOM 1164 C ALA A 71 -5.320 1.261 -2.226 1.00 0.00 C ATOM 1165 O ALA A 71 -6.030 2.213 -1.968 1.00 0.00 O ATOM 1166 CB ALA A 71 -5.221 -0.718 -0.673 1.00 0.00 C ATOM 0 H ALA A 71 -4.574 -1.758 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.885 -0.145 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.564 -0.104 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.556 -1.745 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.132 -0.694 -0.717 1.00 0.00 H new ATOM 1172 N LEU A 72 -4.125 1.425 -2.727 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.611 2.800 -2.992 1.00 0.00 C ATOM 1174 C LEU A 72 -4.311 3.394 -4.216 1.00 0.00 C ATOM 1175 O LEU A 72 -4.558 4.581 -4.288 1.00 0.00 O ATOM 1176 CB LEU A 72 -2.116 2.625 -3.265 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.489 1.775 -2.159 1.00 0.00 C ATOM 1178 CD1 LEU A 72 0.035 1.865 -2.248 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -1.950 2.291 -0.795 1.00 0.00 C ATOM 0 H LEU A 72 -3.484 0.668 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.794 3.476 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.966 2.148 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.628 3.599 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.800 0.737 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.482 1.259 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.365 1.497 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.346 2.903 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.503 1.685 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.640 3.329 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.036 2.227 -0.730 1.00 0.00 H new ATOM 1191 N SER A 73 -4.633 2.575 -5.180 1.00 0.00 N ATOM 1192 CA SER A 73 -5.317 3.091 -6.399 1.00 0.00 C ATOM 1193 C SER A 73 -6.566 3.885 -6.008 1.00 0.00 C ATOM 1194 O SER A 73 -7.084 4.665 -6.781 1.00 0.00 O ATOM 1195 CB SER A 73 -5.703 1.845 -7.195 1.00 0.00 C ATOM 1196 OG SER A 73 -4.872 0.761 -6.804 1.00 0.00 O ATOM 0 H SER A 73 -4.452 1.571 -5.176 1.00 0.00 H new ATOM 0 HA SER A 73 -4.681 3.762 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.750 1.597 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.595 2.034 -8.263 1.00 0.00 H new ATOM 0 HG SER A 73 -4.756 0.149 -7.560 1.00 0.00 H new ATOM 1202 N LYS A 74 -7.052 3.692 -4.812 1.00 0.00 N ATOM 1203 CA LYS A 74 -8.266 4.437 -4.375 1.00 0.00 C ATOM 1204 C LYS A 74 -7.896 5.487 -3.322 1.00 0.00 C ATOM 1205 O LYS A 74 -8.627 6.428 -3.090 1.00 0.00 O ATOM 1206 CB LYS A 74 -9.187 3.375 -3.773 1.00 0.00 C ATOM 1207 CG LYS A 74 -9.496 2.311 -4.828 1.00 0.00 C ATOM 1208 CD LYS A 74 -10.466 2.884 -5.863 1.00 0.00 C ATOM 1209 CE LYS A 74 -9.717 3.159 -7.170 1.00 0.00 C ATOM 1210 NZ LYS A 74 -10.233 4.475 -7.639 1.00 0.00 N ATOM 0 H LYS A 74 -6.662 3.052 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.741 4.970 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.712 2.916 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.111 3.835 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.576 1.989 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.931 1.430 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.281 2.183 -6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.913 3.804 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.640 3.192 -7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.905 2.376 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.766 4.733 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.260 4.411 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.034 5.202 -6.922 1.00 0.00 H new ATOM 1224 N SER A 75 -6.778 5.321 -2.668 1.00 0.00 N ATOM 1225 CA SER A 75 -6.372 6.296 -1.614 1.00 0.00 C ATOM 1226 C SER A 75 -6.318 7.719 -2.173 1.00 0.00 C ATOM 1227 O SER A 75 -6.158 7.933 -3.358 1.00 0.00 O ATOM 1228 CB SER A 75 -4.980 5.842 -1.177 1.00 0.00 C ATOM 1229 OG SER A 75 -4.128 5.777 -2.313 1.00 0.00 O ATOM 0 H SER A 75 -6.127 4.551 -2.818 1.00 0.00 H new ATOM 0 HA SER A 75 -7.082 6.317 -0.787 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.573 6.536 -0.442 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.038 4.866 -0.695 1.00 0.00 H new ATOM 0 HG SER A 75 -4.653 5.529 -3.102 1.00 0.00 H new ATOM 1235 N LYS A 76 -6.452 8.692 -1.313 1.00 0.00 N ATOM 1236 CA LYS A 76 -6.411 10.112 -1.767 1.00 0.00 C ATOM 1237 C LYS A 76 -6.001 11.026 -0.609 1.00 0.00 C ATOM 1238 O LYS A 76 -6.634 12.029 -0.345 1.00 0.00 O ATOM 1239 CB LYS A 76 -7.839 10.424 -2.217 1.00 0.00 C ATOM 1240 CG LYS A 76 -7.809 11.060 -3.609 1.00 0.00 C ATOM 1241 CD LYS A 76 -6.986 12.350 -3.565 1.00 0.00 C ATOM 1242 CE LYS A 76 -7.927 13.556 -3.559 1.00 0.00 C ATOM 1243 NZ LYS A 76 -7.458 14.404 -2.428 1.00 0.00 N ATOM 0 H LYS A 76 -6.589 8.564 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.687 10.270 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.433 9.510 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.316 11.100 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.376 10.365 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.824 11.275 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.357 12.362 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.321 12.399 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.881 14.097 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.963 13.248 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.834 15.368 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.794 14.001 -1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.418 14.436 -2.426 1.00 0.00 H new ATOM 1257 N ALA A 77 -4.948 10.687 0.084 1.00 0.00 N ATOM 1258 CA ALA A 77 -4.502 11.540 1.224 1.00 0.00 C ATOM 1259 C ALA A 77 -3.483 12.560 0.749 1.00 0.00 C ATOM 1260 O ALA A 77 -2.781 13.179 1.523 1.00 0.00 O ATOM 1261 CB ALA A 77 -3.896 10.582 2.250 1.00 0.00 C ATOM 0 H ALA A 77 -4.378 9.859 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.327 12.105 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.548 11.147 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.651 9.863 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.056 10.052 1.801 1.00 0.00 H new ATOM 1267 N GLU A 78 -3.419 12.729 -0.524 1.00 0.00 N ATOM 1268 CA GLU A 78 -2.466 13.705 -1.120 1.00 0.00 C ATOM 1269 C GLU A 78 -1.171 13.768 -0.304 1.00 0.00 C ATOM 1270 O GLU A 78 -0.999 14.629 0.536 1.00 0.00 O ATOM 1271 CB GLU A 78 -3.196 15.048 -1.076 1.00 0.00 C ATOM 1272 CG GLU A 78 -3.833 15.328 -2.438 1.00 0.00 C ATOM 1273 CD GLU A 78 -2.901 16.212 -3.267 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -1.885 15.710 -3.719 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -3.218 17.379 -3.437 1.00 0.00 O ATOM 0 H GLU A 78 -3.994 12.227 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.179 13.427 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.962 15.032 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.498 15.845 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.023 14.391 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.796 15.821 -2.306 1.00 0.00 H new ATOM 1282 N LEU A 79 -0.256 12.872 -0.551 1.00 0.00 N ATOM 1283 CA LEU A 79 1.029 12.893 0.210 1.00 0.00 C ATOM 1284 C LEU A 79 2.159 12.252 -0.609 1.00 0.00 C ATOM 1285 O LEU A 79 3.302 12.234 -0.196 1.00 0.00 O ATOM 1286 CB LEU A 79 0.756 12.120 1.512 1.00 0.00 C ATOM 1287 CG LEU A 79 0.652 10.608 1.260 1.00 0.00 C ATOM 1288 CD1 LEU A 79 -0.206 10.332 0.025 1.00 0.00 C ATOM 1289 CD2 LEU A 79 2.050 10.022 1.053 1.00 0.00 C ATOM 0 H LEU A 79 -0.340 12.128 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 79 1.358 13.910 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.555 12.316 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.170 12.479 1.962 1.00 0.00 H new ATOM 0 HG LEU A 79 0.185 10.140 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.270 9.257 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.207 10.736 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.246 10.807 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.972 8.950 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.521 10.500 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.654 10.199 1.943 1.00 0.00 H new ATOM 1301 N MET A 80 1.856 11.741 -1.773 1.00 0.00 N ATOM 1302 CA MET A 80 2.917 11.120 -2.620 1.00 0.00 C ATOM 1303 C MET A 80 2.367 10.832 -4.019 1.00 0.00 C ATOM 1304 O MET A 80 1.252 11.189 -4.343 1.00 0.00 O ATOM 1305 CB MET A 80 3.293 9.816 -1.914 1.00 0.00 C ATOM 1306 CG MET A 80 2.179 8.784 -2.114 1.00 0.00 C ATOM 1307 SD MET A 80 2.447 7.370 -1.014 1.00 0.00 S ATOM 1308 CE MET A 80 4.257 7.364 -1.069 1.00 0.00 C ATOM 0 H MET A 80 0.918 11.727 -2.174 1.00 0.00 H new ATOM 0 HA MET A 80 3.780 11.774 -2.740 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.233 9.433 -2.312 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.447 9.998 -0.850 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.209 9.238 -1.908 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.161 8.451 -3.152 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.630 6.425 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.590 7.469 -2.102 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.642 8.195 -0.478 1.00 0.00 H new ATOM 1318 N GLU A 81 3.140 10.189 -4.849 1.00 0.00 N ATOM 1319 CA GLU A 81 2.658 9.878 -6.226 1.00 0.00 C ATOM 1320 C GLU A 81 2.954 8.417 -6.570 1.00 0.00 C ATOM 1321 O GLU A 81 3.933 7.850 -6.125 1.00 0.00 O ATOM 1322 CB GLU A 81 3.445 10.817 -7.141 1.00 0.00 C ATOM 1323 CG GLU A 81 2.599 12.054 -7.452 1.00 0.00 C ATOM 1324 CD GLU A 81 2.889 13.144 -6.419 1.00 0.00 C ATOM 1325 OE1 GLU A 81 3.970 13.124 -5.853 1.00 0.00 O ATOM 1326 OE2 GLU A 81 2.026 13.980 -6.209 1.00 0.00 O ATOM 0 H GLU A 81 4.083 9.865 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 81 1.582 10.016 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.378 11.113 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.711 10.303 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.824 12.419 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.540 11.796 -7.437 1.00 0.00 H new ATOM 1333 N ILE A 82 2.114 7.802 -7.356 1.00 0.00 N ATOM 1334 CA ILE A 82 2.349 6.376 -7.726 1.00 0.00 C ATOM 1335 C ILE A 82 2.556 6.247 -9.237 1.00 0.00 C ATOM 1336 O ILE A 82 1.930 6.934 -10.019 1.00 0.00 O ATOM 1337 CB ILE A 82 1.079 5.644 -7.292 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.864 5.846 -5.790 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.223 4.151 -7.589 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.239 6.882 -5.565 1.00 0.00 C ATOM 0 H ILE A 82 1.276 8.223 -7.758 1.00 0.00 H new ATOM 0 HA ILE A 82 3.240 5.966 -7.250 1.00 0.00 H new ATOM 0 HB ILE A 82 0.225 6.042 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.590 4.901 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.790 6.178 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.317 3.629 -7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.378 4.006 -8.658 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.077 3.752 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.391 7.025 -4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.053 7.829 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.166 6.532 -6.020 1.00 0.00 H new ATOM 1352 N SER A 83 3.429 5.371 -9.652 1.00 0.00 N ATOM 1353 CA SER A 83 3.676 5.199 -11.113 1.00 0.00 C ATOM 1354 C SER A 83 2.381 4.792 -11.823 1.00 0.00 C ATOM 1355 O SER A 83 1.337 4.678 -11.212 1.00 0.00 O ATOM 1356 CB SER A 83 4.713 4.082 -11.210 1.00 0.00 C ATOM 1357 OG SER A 83 4.047 2.828 -11.282 1.00 0.00 O ATOM 0 H SER A 83 3.982 4.767 -9.044 1.00 0.00 H new ATOM 0 HA SER A 83 4.022 6.119 -11.585 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.338 4.226 -12.091 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.373 4.107 -10.343 1.00 0.00 H new ATOM 0 HG SER A 83 4.710 2.109 -11.346 1.00 0.00 H new ATOM 1363 N GLU A 84 2.441 4.573 -13.107 1.00 0.00 N ATOM 1364 CA GLU A 84 1.213 4.175 -13.853 1.00 0.00 C ATOM 1365 C GLU A 84 0.977 2.668 -13.718 1.00 0.00 C ATOM 1366 O GLU A 84 -0.083 2.165 -14.034 1.00 0.00 O ATOM 1367 CB GLU A 84 1.499 4.543 -15.309 1.00 0.00 C ATOM 1368 CG GLU A 84 0.900 5.918 -15.614 1.00 0.00 C ATOM 1369 CD GLU A 84 0.309 5.916 -17.025 1.00 0.00 C ATOM 1370 OE1 GLU A 84 1.073 6.048 -17.966 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -0.899 5.782 -17.140 1.00 0.00 O ATOM 0 H GLU A 84 3.286 4.652 -13.672 1.00 0.00 H new ATOM 0 HA GLU A 84 0.320 4.672 -13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.574 4.555 -15.488 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.073 3.793 -15.975 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.127 6.159 -14.885 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.668 6.687 -15.531 1.00 0.00 H new ATOM 1378 N ASP A 85 1.957 1.944 -13.249 1.00 0.00 N ATOM 1379 CA ASP A 85 1.786 0.471 -13.095 1.00 0.00 C ATOM 1380 C ASP A 85 1.222 0.146 -11.709 1.00 0.00 C ATOM 1381 O ASP A 85 0.876 -0.982 -11.420 1.00 0.00 O ATOM 1382 CB ASP A 85 3.193 -0.109 -13.252 1.00 0.00 C ATOM 1383 CG ASP A 85 3.721 0.207 -14.652 1.00 0.00 C ATOM 1384 OD1 ASP A 85 3.663 1.363 -15.040 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.176 -0.711 -15.314 1.00 0.00 O ATOM 0 H ASP A 85 2.867 2.308 -12.966 1.00 0.00 H new ATOM 0 HA ASP A 85 1.091 0.057 -13.825 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.858 0.312 -12.497 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.173 -1.187 -13.094 1.00 0.00 H new ATOM 1390 N LYS A 86 1.133 1.124 -10.850 1.00 0.00 N ATOM 1391 CA LYS A 86 0.596 0.872 -9.481 1.00 0.00 C ATOM 1392 C LYS A 86 1.544 -0.045 -8.705 1.00 0.00 C ATOM 1393 O LYS A 86 1.122 -0.958 -8.025 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.754 0.186 -9.698 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.538 0.925 -10.785 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.821 0.154 -11.101 1.00 0.00 C ATOM 1397 CE LYS A 86 -2.673 -0.554 -12.449 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.414 0.303 -13.417 1.00 0.00 N ATOM 0 H LYS A 86 1.409 2.088 -11.036 1.00 0.00 H new ATOM 0 HA LYS A 86 0.495 1.791 -8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.602 -0.854 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.322 0.177 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.780 1.934 -10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.929 1.024 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.023 -0.575 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.670 0.836 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.625 -0.652 -12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.089 -1.561 -12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.358 -0.118 -14.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.410 0.373 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.991 1.253 -13.434 1.00 0.00 H new ATOM 1412 N THR A 87 2.823 0.188 -8.809 1.00 0.00 N ATOM 1413 CA THR A 87 3.798 -0.676 -8.081 1.00 0.00 C ATOM 1414 C THR A 87 5.008 0.143 -7.622 1.00 0.00 C ATOM 1415 O THR A 87 6.120 -0.345 -7.589 1.00 0.00 O ATOM 1416 CB THR A 87 4.223 -1.734 -9.100 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.298 -2.495 -8.568 1.00 0.00 O ATOM 1418 CG2 THR A 87 4.669 -1.050 -10.393 1.00 0.00 C ATOM 0 H THR A 87 3.236 0.937 -9.365 1.00 0.00 H new ATOM 0 HA THR A 87 3.363 -1.118 -7.185 1.00 0.00 H new ATOM 0 HB THR A 87 3.381 -2.393 -9.313 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.066 -1.908 -8.406 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.972 -1.805 -11.118 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.843 -0.467 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.511 -0.390 -10.184 1.00 0.00 H new ATOM 1426 N LYS A 88 4.806 1.381 -7.264 1.00 0.00 N ATOM 1427 CA LYS A 88 5.954 2.214 -6.807 1.00 0.00 C ATOM 1428 C LYS A 88 5.459 3.429 -6.016 1.00 0.00 C ATOM 1429 O LYS A 88 4.342 3.877 -6.181 1.00 0.00 O ATOM 1430 CB LYS A 88 6.665 2.654 -8.087 1.00 0.00 C ATOM 1431 CG LYS A 88 8.179 2.579 -7.886 1.00 0.00 C ATOM 1432 CD LYS A 88 8.876 2.611 -9.247 1.00 0.00 C ATOM 1433 CE LYS A 88 8.857 1.211 -9.865 1.00 0.00 C ATOM 1434 NZ LYS A 88 10.055 1.161 -10.748 1.00 0.00 N ATOM 0 H LYS A 88 3.900 1.850 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 88 6.619 1.662 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.367 2.015 -8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.373 3.672 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.517 3.414 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.441 1.665 -7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.374 3.318 -9.908 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.904 2.955 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.902 0.440 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.942 1.043 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.109 0.229 -11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.982 1.901 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.912 1.317 -10.180 1.00 0.00 H new ATOM 1448 N ILE A 89 6.286 3.965 -5.161 1.00 0.00 N ATOM 1449 CA ILE A 89 5.875 5.154 -4.361 1.00 0.00 C ATOM 1450 C ILE A 89 6.994 6.201 -4.369 1.00 0.00 C ATOM 1451 O ILE A 89 8.160 5.876 -4.455 1.00 0.00 O ATOM 1452 CB ILE A 89 5.646 4.622 -2.947 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.945 4.009 -2.417 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.553 3.552 -2.976 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.690 3.373 -1.050 1.00 0.00 C ATOM 0 H ILE A 89 7.232 3.630 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 89 4.983 5.636 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 89 5.337 5.440 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 89 7.317 3.259 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.714 4.777 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.389 3.172 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.628 3.987 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.862 2.734 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.615 2.937 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.338 4.135 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.934 2.593 -1.147 1.00 0.00 H new ATOM 1467 N ARG A 90 6.646 7.456 -4.287 1.00 0.00 N ATOM 1468 CA ARG A 90 7.689 8.522 -4.297 1.00 0.00 C ATOM 1469 C ARG A 90 7.209 9.740 -3.504 1.00 0.00 C ATOM 1470 O ARG A 90 6.026 9.944 -3.318 1.00 0.00 O ATOM 1471 CB ARG A 90 7.876 8.880 -5.772 1.00 0.00 C ATOM 1472 CG ARG A 90 6.678 9.696 -6.260 1.00 0.00 C ATOM 1473 CD ARG A 90 7.091 11.159 -6.433 1.00 0.00 C ATOM 1474 NE ARG A 90 7.947 11.175 -7.652 1.00 0.00 N ATOM 1475 CZ ARG A 90 7.401 11.184 -8.838 1.00 0.00 C ATOM 1476 NH1 ARG A 90 6.101 11.173 -8.961 1.00 0.00 N ATOM 1477 NH2 ARG A 90 8.155 11.201 -9.903 1.00 0.00 N ATOM 0 H ARG A 90 5.685 7.790 -4.214 1.00 0.00 H new ATOM 0 HA ARG A 90 8.621 8.192 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.795 9.451 -5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.976 7.972 -6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.314 9.296 -7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.858 9.621 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.220 11.804 -6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.637 11.521 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 90 8.963 11.179 -7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.510 11.157 -8.130 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.676 11.180 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.171 11.207 -9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.729 11.208 -10.830 1.00 0.00 H new ATOM 1491 N ARG A 91 8.116 10.564 -3.053 1.00 0.00 N ATOM 1492 CA ARG A 91 7.707 11.779 -2.294 1.00 0.00 C ATOM 1493 C ARG A 91 7.657 12.972 -3.250 1.00 0.00 C ATOM 1494 O ARG A 91 8.537 13.156 -4.065 1.00 0.00 O ATOM 1495 CB ARG A 91 8.792 11.977 -1.228 1.00 0.00 C ATOM 1496 CG ARG A 91 8.925 13.467 -0.893 1.00 0.00 C ATOM 1497 CD ARG A 91 9.055 13.648 0.622 1.00 0.00 C ATOM 1498 NE ARG A 91 8.577 15.034 0.883 1.00 0.00 N ATOM 1499 CZ ARG A 91 9.353 16.053 0.625 1.00 0.00 C ATOM 1500 NH1 ARG A 91 10.550 15.858 0.143 1.00 0.00 N ATOM 1501 NH2 ARG A 91 8.929 17.267 0.848 1.00 0.00 N ATOM 0 H ARG A 91 9.122 10.448 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 91 6.722 11.682 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.539 11.414 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.745 11.590 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.797 13.886 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.055 14.011 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.455 12.915 1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.087 13.517 0.949 1.00 0.00 H new ATOM 0 HE ARG A 91 7.643 15.188 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.881 14.909 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.155 16.654 -0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.993 17.419 1.223 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.534 18.063 0.647 1.00 0.00 H new ATOM 1515 N SER A 92 6.637 13.779 -3.166 1.00 0.00 N ATOM 1516 CA SER A 92 6.545 14.948 -4.080 1.00 0.00 C ATOM 1517 C SER A 92 7.511 16.044 -3.629 1.00 0.00 C ATOM 1518 O SER A 92 7.282 16.704 -2.634 1.00 0.00 O ATOM 1519 CB SER A 92 5.099 15.428 -3.968 1.00 0.00 C ATOM 1520 OG SER A 92 4.305 14.395 -3.398 1.00 0.00 O ATOM 0 H SER A 92 5.866 13.679 -2.506 1.00 0.00 H new ATOM 0 HA SER A 92 6.809 14.693 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.048 16.325 -3.350 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.715 15.697 -4.952 1.00 0.00 H new ATOM 0 HG SER A 92 4.033 13.767 -4.099 1.00 0.00 H new ATOM 1526 N PRO A 93 8.564 16.207 -4.385 1.00 0.00 N ATOM 1527 CA PRO A 93 9.576 17.241 -4.063 1.00 0.00 C ATOM 1528 C PRO A 93 8.931 18.621 -4.149 1.00 0.00 C ATOM 1529 O PRO A 93 9.372 19.570 -3.531 1.00 0.00 O ATOM 1530 CB PRO A 93 10.639 17.068 -5.148 1.00 0.00 C ATOM 1531 CG PRO A 93 9.958 16.316 -6.246 1.00 0.00 C ATOM 1532 CD PRO A 93 8.905 15.461 -5.597 1.00 0.00 C ATOM 0 HA PRO A 93 9.994 17.145 -3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.004 18.033 -5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.502 16.519 -4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.510 17.002 -6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.672 15.701 -6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.039 15.329 -6.245 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.283 14.466 -5.364 1.00 0.00 H new ATOM 1540 N SER A 94 7.879 18.732 -4.912 1.00 0.00 N ATOM 1541 CA SER A 94 7.187 20.040 -5.045 1.00 0.00 C ATOM 1542 C SER A 94 6.354 20.320 -3.794 1.00 0.00 C ATOM 1543 O SER A 94 5.766 21.373 -3.654 1.00 0.00 O ATOM 1544 CB SER A 94 6.285 19.887 -6.269 1.00 0.00 C ATOM 1545 OG SER A 94 6.828 18.896 -7.131 1.00 0.00 O ATOM 0 H SER A 94 7.469 17.969 -5.450 1.00 0.00 H new ATOM 0 HA SER A 94 7.884 20.870 -5.156 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.278 19.605 -5.960 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.202 20.838 -6.795 1.00 0.00 H new ATOM 0 HG SER A 94 6.251 18.794 -7.917 1.00 0.00 H new ATOM 1551 N LYS A 95 6.316 19.396 -2.869 1.00 0.00 N ATOM 1552 CA LYS A 95 5.542 19.625 -1.616 1.00 0.00 C ATOM 1553 C LYS A 95 6.494 19.563 -0.418 1.00 0.00 C ATOM 1554 O LYS A 95 7.220 18.602 -0.259 1.00 0.00 O ATOM 1555 CB LYS A 95 4.526 18.484 -1.558 1.00 0.00 C ATOM 1556 CG LYS A 95 3.109 19.058 -1.571 1.00 0.00 C ATOM 1557 CD LYS A 95 2.713 19.472 -0.152 1.00 0.00 C ATOM 1558 CE LYS A 95 1.711 20.628 -0.219 1.00 0.00 C ATOM 1559 NZ LYS A 95 1.736 21.235 1.141 1.00 0.00 N ATOM 0 H LYS A 95 6.788 18.494 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 95 5.050 20.597 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.666 17.815 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.681 17.891 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.060 19.918 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.408 18.316 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.274 18.626 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.597 19.774 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.995 21.354 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.713 20.272 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.074 22.036 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.455 20.522 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.697 21.571 1.354 1.00 0.00 H new ATOM 1573 N PRO A 96 6.472 20.590 0.384 1.00 0.00 N ATOM 1574 CA PRO A 96 7.360 20.638 1.568 1.00 0.00 C ATOM 1575 C PRO A 96 6.934 19.611 2.616 1.00 0.00 C ATOM 1576 O PRO A 96 5.766 19.322 2.787 1.00 0.00 O ATOM 1577 CB PRO A 96 7.190 22.044 2.113 1.00 0.00 C ATOM 1578 CG PRO A 96 5.887 22.533 1.559 1.00 0.00 C ATOM 1579 CD PRO A 96 5.633 21.787 0.272 1.00 0.00 C ATOM 0 HA PRO A 96 8.394 20.406 1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.178 22.044 3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.014 22.687 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.079 22.359 2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.926 23.607 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.580 21.527 0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.906 22.386 -0.597 1.00 0.00 H new ATOM 1587 N LEU A 97 7.880 19.090 3.338 1.00 0.00 N ATOM 1588 CA LEU A 97 7.563 18.112 4.408 1.00 0.00 C ATOM 1589 C LEU A 97 8.126 18.635 5.721 1.00 0.00 C ATOM 1590 O LEU A 97 9.313 18.854 5.852 1.00 0.00 O ATOM 1591 CB LEU A 97 8.200 16.781 3.997 1.00 0.00 C ATOM 1592 CG LEU A 97 9.577 16.617 4.645 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.404 16.249 6.122 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.341 15.500 3.932 1.00 0.00 C ATOM 0 H LEU A 97 8.872 19.303 3.231 1.00 0.00 H new ATOM 0 HA LEU A 97 6.491 17.968 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.553 15.956 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.296 16.738 2.912 1.00 0.00 H new ATOM 0 HG LEU A 97 10.132 17.551 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.384 16.132 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.854 17.040 6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.851 15.313 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.322 15.380 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.784 14.567 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.461 15.756 2.879 1.00 0.00 H new ATOM 1606 N PRO A 98 7.247 18.847 6.631 1.00 0.00 N ATOM 1607 CA PRO A 98 7.618 19.386 7.945 1.00 0.00 C ATOM 1608 C PRO A 98 7.863 18.268 8.956 1.00 0.00 C ATOM 1609 O PRO A 98 7.371 17.166 8.819 1.00 0.00 O ATOM 1610 CB PRO A 98 6.384 20.171 8.289 1.00 0.00 C ATOM 1611 CG PRO A 98 5.266 19.323 7.759 1.00 0.00 C ATOM 1612 CD PRO A 98 5.806 18.616 6.541 1.00 0.00 C ATOM 0 HA PRO A 98 8.540 19.968 7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.294 20.326 9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.394 21.157 7.825 1.00 0.00 H new ATOM 0 HG2 PRO A 98 4.934 18.605 8.509 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.403 19.936 7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.567 17.553 6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.389 19.025 5.620 1.00 0.00 H new ATOM 1620 N GLU A 99 8.625 18.550 9.972 1.00 0.00 N ATOM 1621 CA GLU A 99 8.915 17.513 11.004 1.00 0.00 C ATOM 1622 C GLU A 99 8.228 17.871 12.324 1.00 0.00 C ATOM 1623 O GLU A 99 8.054 19.028 12.651 1.00 0.00 O ATOM 1624 CB GLU A 99 10.436 17.534 11.168 1.00 0.00 C ATOM 1625 CG GLU A 99 10.912 16.180 11.694 1.00 0.00 C ATOM 1626 CD GLU A 99 12.440 16.171 11.779 1.00 0.00 C ATOM 1627 OE1 GLU A 99 12.996 17.189 12.156 1.00 0.00 O ATOM 1628 OE2 GLU A 99 13.026 15.148 11.465 1.00 0.00 O ATOM 0 H GLU A 99 9.063 19.457 10.135 1.00 0.00 H new ATOM 0 HA GLU A 99 8.549 16.528 10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.912 17.752 10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.727 18.326 11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.482 15.989 12.677 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.570 15.382 11.035 1.00 0.00 H new ATOM 1635 N VAL A 100 7.836 16.887 13.086 1.00 0.00 N ATOM 1636 CA VAL A 100 7.161 17.171 14.385 1.00 0.00 C ATOM 1637 C VAL A 100 8.187 17.184 15.522 1.00 0.00 C ATOM 1638 O VAL A 100 9.160 16.458 15.500 1.00 0.00 O ATOM 1639 CB VAL A 100 6.166 16.026 14.573 1.00 0.00 C ATOM 1640 CG1 VAL A 100 5.281 15.909 13.331 1.00 0.00 C ATOM 1641 CG2 VAL A 100 6.930 14.717 14.780 1.00 0.00 C ATOM 0 H VAL A 100 7.954 15.898 12.866 1.00 0.00 H new ATOM 0 HA VAL A 100 6.668 18.143 14.391 1.00 0.00 H new ATOM 0 HB VAL A 100 5.543 16.226 15.445 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.572 15.092 13.465 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.737 16.842 13.183 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.903 15.709 12.458 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.222 13.900 14.914 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.553 14.518 13.908 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.560 14.800 15.665 1.00 0.00 H new ATOM 1651 N THR A 101 7.976 18.004 16.514 1.00 0.00 N ATOM 1652 CA THR A 101 8.939 18.062 17.651 1.00 0.00 C ATOM 1653 C THR A 101 8.281 17.536 18.930 1.00 0.00 C ATOM 1654 O THR A 101 7.100 17.711 19.149 1.00 0.00 O ATOM 1655 CB THR A 101 9.289 19.544 17.798 1.00 0.00 C ATOM 1656 OG1 THR A 101 8.277 20.330 17.186 1.00 0.00 O ATOM 1657 CG2 THR A 101 10.632 19.822 17.123 1.00 0.00 C ATOM 0 H THR A 101 7.179 18.636 16.587 1.00 0.00 H new ATOM 0 HA THR A 101 9.823 17.450 17.475 1.00 0.00 H new ATOM 0 HB THR A 101 9.358 19.799 18.856 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.499 21.280 17.281 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.880 20.878 17.228 1.00 0.00 H new ATOM 0 HG22 THR A 101 11.408 19.218 17.594 1.00 0.00 H new ATOM 0 HG23 THR A 101 10.567 19.568 16.065 1.00 0.00 H new ATOM 1665 N ASP A 102 9.039 16.892 19.776 1.00 0.00 N ATOM 1666 CA ASP A 102 8.455 16.355 21.039 1.00 0.00 C ATOM 1667 C ASP A 102 7.925 17.502 21.905 1.00 0.00 C ATOM 1668 O ASP A 102 8.593 18.493 22.115 1.00 0.00 O ATOM 1669 CB ASP A 102 9.614 15.645 21.740 1.00 0.00 C ATOM 1670 CG ASP A 102 10.295 14.690 20.758 1.00 0.00 C ATOM 1671 OD1 ASP A 102 9.787 13.595 20.579 1.00 0.00 O ATOM 1672 OD2 ASP A 102 11.314 15.068 20.204 1.00 0.00 O ATOM 0 H ASP A 102 10.035 16.715 19.648 1.00 0.00 H new ATOM 0 HA ASP A 102 7.617 15.683 20.854 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.332 16.377 22.110 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.247 15.093 22.605 1.00 0.00 H new ATOM 1677 N GLU A 103 6.728 17.372 22.408 1.00 0.00 N ATOM 1678 CA GLU A 103 6.156 18.455 23.259 1.00 0.00 C ATOM 1679 C GLU A 103 7.196 18.935 24.274 1.00 0.00 C ATOM 1680 O GLU A 103 7.285 20.134 24.482 1.00 0.00 O ATOM 1681 CB GLU A 103 4.968 17.810 23.974 1.00 0.00 C ATOM 1682 CG GLU A 103 5.438 16.564 24.727 1.00 0.00 C ATOM 1683 CD GLU A 103 5.811 16.946 26.162 1.00 0.00 C ATOM 1684 OE1 GLU A 103 5.750 18.122 26.476 1.00 0.00 O ATOM 1685 OE2 GLU A 103 6.152 16.053 26.920 1.00 0.00 O ATOM 1686 OXT GLU A 103 7.889 18.095 24.826 1.00 0.00 O ATOM 0 H GLU A 103 6.122 16.564 22.267 1.00 0.00 H new ATOM 0 HA GLU A 103 5.857 19.325 22.675 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.520 18.520 24.669 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.197 17.542 23.251 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.650 15.811 24.733 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.297 16.123 24.222 1.00 0.00 H new TER 1693 GLU A 103