USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 934 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 46 TYR OH : rot 180:sc= -0.858! USER MOD Set 1.2: A 88 ASN : amide:sc= -3.56! C(o=-4.4!,f=-3.5!) USER MOD Set 2.1: A 45 ASN : amide:sc= 1.24 K(o=1.9,f=-2.3) USER MOD Set 2.2: A 79 SER OG : rot -58:sc= 0.626 USER MOD Set 3.1: A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 5 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 1 LYS N :NH3+ -133:sc= 0.0967 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -136:sc= -0.194 (180deg=-1.07) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.57 K(o=-0.57,f=-2.5) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= -1.38 (180deg=-2.15) USER MOD Single : A 28 SER OG : rot 94:sc= 1.21 USER MOD Single : A 29 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.9!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.553 USER MOD Single : A 35 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.21) USER MOD Single : A 38 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.8!) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.717 K(o=-0.72,f=-0.00095) USER MOD Single : A 48 ASN : amide:sc= -1.97 K(o=-2,f=-0.47) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 57 SER OG : rot 180:sc= -0.343 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 67 LYS NZ :NH3+ -118:sc= 1.03 (180deg=0.315) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= -0.0748 (180deg=-0.568) USER MOD Single : A 76 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 165:sc= 0.0378 (180deg=0.0091) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -3.35! K(o=-3.4!,f=-0.29) USER MOD Single : A 86 SER OG : rot 3:sc= -2.76 USER MOD Single : A 89 ASN : amide:sc= -7.05! C(o=-7!,f=-10!) USER MOD Single : A 92 ASN : amide:sc= -4.17! K(o=-4.2!,f=-1.7) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 103 LYS NZ :NH3+ -145:sc= -1.95 (180deg=-2.93!) USER MOD Single : A 104 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.360 8.957 1.919 1.00 0.00 N ATOM 2 CA LYS A 1 -0.696 7.935 2.165 1.00 0.00 C ATOM 3 C LYS A 1 -1.819 8.121 1.133 1.00 0.00 C ATOM 4 O LYS A 1 -1.803 9.049 0.348 1.00 0.00 O ATOM 5 CB LYS A 1 -1.243 8.110 3.601 1.00 0.00 C ATOM 6 CG LYS A 1 -1.708 6.756 4.175 1.00 0.00 C ATOM 7 CD LYS A 1 -2.629 6.983 5.380 1.00 0.00 C ATOM 8 CE LYS A 1 -1.927 7.868 6.412 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.667 7.806 7.705 1.00 0.00 N ATOM 0 H1 LYS A 1 1.294 8.500 1.929 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.203 9.403 0.993 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.321 9.682 2.663 1.00 0.00 H new ATOM 0 HA LYS A 1 -0.286 6.930 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.470 8.536 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.075 8.814 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.234 6.188 3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -0.844 6.163 4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.557 7.453 5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -2.896 6.027 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.899 7.535 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.883 8.897 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.190 8.407 8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.641 8.143 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.687 6.824 8.047 1.00 0.00 H new ATOM 25 N VAL A 2 -2.791 7.248 1.126 1.00 0.00 N ATOM 26 CA VAL A 2 -3.906 7.378 0.146 1.00 0.00 C ATOM 27 C VAL A 2 -4.862 8.479 0.614 1.00 0.00 C ATOM 28 O VAL A 2 -4.750 8.983 1.713 1.00 0.00 O ATOM 29 CB VAL A 2 -4.644 6.033 0.060 1.00 0.00 C ATOM 30 CG1 VAL A 2 -5.522 5.980 -1.196 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.610 4.906 0.002 1.00 0.00 C ATOM 0 H VAL A 2 -2.860 6.450 1.758 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.519 7.642 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.282 5.919 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.037 5.020 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.257 6.784 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.898 6.098 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.122 3.946 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.978 5.037 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.993 4.932 0.900 1.00 0.00 H new ATOM 41 N LYS A 3 -5.799 8.860 -0.211 1.00 0.00 N ATOM 42 CA LYS A 3 -6.758 9.931 0.189 1.00 0.00 C ATOM 43 C LYS A 3 -7.371 9.581 1.550 1.00 0.00 C ATOM 44 O LYS A 3 -7.395 10.390 2.456 1.00 0.00 O ATOM 45 CB LYS A 3 -7.870 10.044 -0.870 1.00 0.00 C ATOM 46 CG LYS A 3 -7.365 10.834 -2.086 1.00 0.00 C ATOM 47 CD LYS A 3 -6.135 10.141 -2.691 1.00 0.00 C ATOM 48 CE LYS A 3 -5.868 10.695 -4.093 1.00 0.00 C ATOM 49 NZ LYS A 3 -7.042 10.420 -4.968 1.00 0.00 N ATOM 0 H LYS A 3 -5.943 8.476 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.234 10.884 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.189 9.049 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.741 10.539 -0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.154 10.909 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.110 11.851 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.265 10.302 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.299 9.065 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.682 11.768 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.973 10.236 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.713 10.077 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.643 9.697 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.591 11.294 -5.098 1.00 0.00 H new ATOM 63 N PHE A 4 -7.869 8.380 1.702 1.00 0.00 N ATOM 64 CA PHE A 4 -8.482 7.979 3.005 1.00 0.00 C ATOM 65 C PHE A 4 -7.390 7.546 3.987 1.00 0.00 C ATOM 66 O PHE A 4 -6.278 7.240 3.609 1.00 0.00 O ATOM 67 CB PHE A 4 -9.489 6.844 2.804 1.00 0.00 C ATOM 68 CG PHE A 4 -8.945 5.791 1.863 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.152 4.738 2.346 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.265 5.853 0.504 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.681 3.756 1.460 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.800 4.873 -0.373 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.011 3.829 0.100 1.00 0.00 C ATOM 0 H PHE A 4 -7.878 7.660 0.980 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.011 8.839 3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.725 6.389 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.420 7.247 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.905 4.684 3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.875 6.663 0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.066 2.947 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.053 4.925 -1.422 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.652 3.073 -0.583 1.00 0.00 H new ATOM 83 N THR A 5 -7.710 7.537 5.257 1.00 0.00 N ATOM 84 CA THR A 5 -6.712 7.146 6.297 1.00 0.00 C ATOM 85 C THR A 5 -6.742 5.640 6.511 1.00 0.00 C ATOM 86 O THR A 5 -7.688 4.958 6.164 1.00 0.00 O ATOM 87 CB THR A 5 -7.023 7.842 7.619 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.212 7.285 8.644 1.00 0.00 O ATOM 89 CG2 THR A 5 -8.493 7.647 7.969 1.00 0.00 C ATOM 0 H THR A 5 -8.630 7.787 5.620 1.00 0.00 H new ATOM 0 HA THR A 5 -5.723 7.448 5.952 1.00 0.00 H new ATOM 0 HB THR A 5 -6.815 8.908 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.408 7.731 9.495 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.711 8.145 8.914 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.114 8.074 7.182 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.707 6.582 8.063 1.00 0.00 H new ATOM 97 N GLU A 6 -5.701 5.124 7.086 1.00 0.00 N ATOM 98 CA GLU A 6 -5.626 3.658 7.346 1.00 0.00 C ATOM 99 C GLU A 6 -6.933 3.174 7.981 1.00 0.00 C ATOM 100 O GLU A 6 -7.426 2.118 7.657 1.00 0.00 O ATOM 101 CB GLU A 6 -4.457 3.367 8.291 1.00 0.00 C ATOM 102 CG GLU A 6 -4.648 4.133 9.603 1.00 0.00 C ATOM 103 CD GLU A 6 -3.360 4.072 10.427 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.590 3.149 10.216 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.166 4.947 11.255 1.00 0.00 O ATOM 0 H GLU A 6 -4.887 5.657 7.392 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.472 3.133 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.396 2.297 8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.517 3.659 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.909 5.171 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.474 3.703 10.169 1.00 0.00 H new ATOM 112 N GLU A 7 -7.502 3.941 8.877 1.00 0.00 N ATOM 113 CA GLU A 7 -8.779 3.517 9.529 1.00 0.00 C ATOM 114 C GLU A 7 -9.789 3.085 8.456 1.00 0.00 C ATOM 115 O GLU A 7 -10.510 2.114 8.610 1.00 0.00 O ATOM 116 CB GLU A 7 -9.357 4.685 10.337 1.00 0.00 C ATOM 117 CG GLU A 7 -8.251 5.322 11.180 1.00 0.00 C ATOM 118 CD GLU A 7 -8.868 6.307 12.175 1.00 0.00 C ATOM 119 OE1 GLU A 7 -9.422 5.853 13.162 1.00 0.00 O ATOM 120 OE2 GLU A 7 -8.776 7.499 11.932 1.00 0.00 O ATOM 0 H GLU A 7 -7.137 4.842 9.185 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.581 2.678 10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.789 5.427 9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.162 4.332 10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.696 4.550 11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.540 5.838 10.535 1.00 0.00 H new ATOM 127 N GLU A 8 -9.839 3.789 7.361 1.00 0.00 N ATOM 128 CA GLU A 8 -10.789 3.405 6.289 1.00 0.00 C ATOM 129 C GLU A 8 -10.337 2.067 5.716 1.00 0.00 C ATOM 130 O GLU A 8 -11.127 1.166 5.512 1.00 0.00 O ATOM 131 CB GLU A 8 -10.772 4.471 5.191 1.00 0.00 C ATOM 132 CG GLU A 8 -12.045 4.384 4.340 1.00 0.00 C ATOM 133 CD GLU A 8 -12.081 3.044 3.602 1.00 0.00 C ATOM 134 OE1 GLU A 8 -11.024 2.582 3.202 1.00 0.00 O ATOM 135 OE2 GLU A 8 -13.164 2.504 3.447 1.00 0.00 O ATOM 0 H GLU A 8 -9.265 4.609 7.165 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.801 3.322 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.693 5.462 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.894 4.336 4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.926 4.485 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.072 5.205 3.624 1.00 0.00 H new ATOM 142 N ASP A 9 -9.058 1.939 5.459 1.00 0.00 N ATOM 143 CA ASP A 9 -8.522 0.660 4.896 1.00 0.00 C ATOM 144 C ASP A 9 -9.111 -0.524 5.674 1.00 0.00 C ATOM 145 O ASP A 9 -9.324 -1.600 5.142 1.00 0.00 O ATOM 146 CB ASP A 9 -6.996 0.644 5.026 1.00 0.00 C ATOM 147 CG ASP A 9 -6.428 -0.518 4.209 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.203 -0.328 3.025 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.229 -1.576 4.780 1.00 0.00 O ATOM 0 H ASP A 9 -8.361 2.667 5.615 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.798 0.581 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.580 1.588 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.710 0.541 6.073 1.00 0.00 H new ATOM 154 N LEU A 10 -9.395 -0.317 6.929 1.00 0.00 N ATOM 155 CA LEU A 10 -9.988 -1.405 7.752 1.00 0.00 C ATOM 156 C LEU A 10 -11.451 -1.560 7.339 1.00 0.00 C ATOM 157 O LEU A 10 -11.978 -2.654 7.259 1.00 0.00 O ATOM 158 CB LEU A 10 -9.892 -1.048 9.252 1.00 0.00 C ATOM 159 CG LEU A 10 -8.613 -0.251 9.521 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.498 0.039 11.016 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.391 -1.049 9.053 1.00 0.00 C ATOM 0 H LEU A 10 -9.241 0.563 7.421 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.449 -2.339 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.763 -0.465 9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.896 -1.958 9.852 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.654 0.689 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.587 0.606 11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.362 0.618 11.342 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.463 -0.901 11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.485 -0.475 9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.345 -1.994 9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.473 -1.246 7.984 1.00 0.00 H new ATOM 173 N LYS A 11 -12.106 -0.464 7.061 1.00 0.00 N ATOM 174 CA LYS A 11 -13.525 -0.542 6.637 1.00 0.00 C ATOM 175 C LYS A 11 -13.602 -1.413 5.381 1.00 0.00 C ATOM 176 O LYS A 11 -14.599 -2.050 5.108 1.00 0.00 O ATOM 177 CB LYS A 11 -14.041 0.879 6.343 1.00 0.00 C ATOM 178 CG LYS A 11 -15.567 0.911 6.449 1.00 0.00 C ATOM 179 CD LYS A 11 -16.096 2.247 5.914 1.00 0.00 C ATOM 180 CE LYS A 11 -17.571 2.406 6.290 1.00 0.00 C ATOM 181 NZ LYS A 11 -18.151 3.563 5.551 1.00 0.00 N ATOM 0 H LYS A 11 -11.717 0.477 7.110 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.142 -0.981 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.604 1.587 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.730 1.189 5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.998 0.086 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.872 0.778 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.515 3.071 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.981 2.287 4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.119 1.495 6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.669 2.561 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.153 3.671 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.634 4.430 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.071 3.397 4.528 1.00 0.00 H new ATOM 195 N LEU A 12 -12.538 -1.450 4.626 1.00 0.00 N ATOM 196 CA LEU A 12 -12.513 -2.279 3.398 1.00 0.00 C ATOM 197 C LEU A 12 -12.449 -3.747 3.797 1.00 0.00 C ATOM 198 O LEU A 12 -13.152 -4.573 3.272 1.00 0.00 O ATOM 199 CB LEU A 12 -11.273 -1.924 2.578 1.00 0.00 C ATOM 200 CG LEU A 12 -11.143 -0.406 2.459 1.00 0.00 C ATOM 201 CD1 LEU A 12 -9.932 -0.073 1.579 1.00 0.00 C ATOM 202 CD2 LEU A 12 -12.420 0.181 1.838 1.00 0.00 C ATOM 0 H LEU A 12 -11.678 -0.934 4.814 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.409 -2.094 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.383 -2.338 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.343 -2.370 1.586 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.004 0.028 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.833 1.009 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.029 -0.484 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.071 -0.507 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.320 1.263 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.572 -0.245 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.275 -0.058 2.470 1.00 0.00 H new ATOM 214 N GLN A 13 -11.614 -4.091 4.730 1.00 0.00 N ATOM 215 CA GLN A 13 -11.531 -5.526 5.130 1.00 0.00 C ATOM 216 C GLN A 13 -12.944 -6.031 5.465 1.00 0.00 C ATOM 217 O GLN A 13 -13.297 -7.157 5.183 1.00 0.00 O ATOM 218 CB GLN A 13 -10.619 -5.646 6.363 1.00 0.00 C ATOM 219 CG GLN A 13 -10.671 -7.064 6.953 1.00 0.00 C ATOM 220 CD GLN A 13 -10.393 -8.097 5.860 1.00 0.00 C ATOM 221 OE1 GLN A 13 -9.253 -8.375 5.544 1.00 0.00 O ATOM 222 NE2 GLN A 13 -11.395 -8.686 5.269 1.00 0.00 N ATOM 0 H GLN A 13 -10.992 -3.455 5.229 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.119 -6.126 4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.594 -5.401 6.086 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.926 -4.923 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.936 -7.161 7.752 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.650 -7.246 7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.352 -8.453 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.222 -9.380 4.542 1.00 0.00 H new ATOM 231 N GLN A 14 -13.763 -5.196 6.037 1.00 0.00 N ATOM 232 CA GLN A 14 -15.159 -5.623 6.374 1.00 0.00 C ATOM 233 C GLN A 14 -16.076 -5.522 5.150 1.00 0.00 C ATOM 234 O GLN A 14 -16.708 -6.479 4.755 1.00 0.00 O ATOM 235 CB GLN A 14 -15.716 -4.721 7.465 1.00 0.00 C ATOM 236 CG GLN A 14 -14.753 -4.692 8.653 1.00 0.00 C ATOM 237 CD GLN A 14 -15.392 -3.921 9.810 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.027 -2.795 10.080 1.00 0.00 O ATOM 239 NE2 GLN A 14 -16.338 -4.486 10.510 1.00 0.00 N ATOM 0 H GLN A 14 -13.531 -4.235 6.288 1.00 0.00 H new ATOM 0 HA GLN A 14 -15.123 -6.659 6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.861 -3.713 7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.693 -5.083 7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.515 -5.708 8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.814 -4.220 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.645 -5.432 10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.771 -3.981 11.284 1.00 0.00 H new ATOM 248 N LEU A 15 -16.176 -4.365 4.557 1.00 0.00 N ATOM 249 CA LEU A 15 -17.073 -4.216 3.376 1.00 0.00 C ATOM 250 C LEU A 15 -16.648 -5.212 2.305 1.00 0.00 C ATOM 251 O LEU A 15 -17.435 -5.999 1.817 1.00 0.00 O ATOM 252 CB LEU A 15 -16.957 -2.793 2.818 1.00 0.00 C ATOM 253 CG LEU A 15 -17.423 -1.764 3.865 1.00 0.00 C ATOM 254 CD1 LEU A 15 -16.985 -0.361 3.422 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.958 -1.798 4.017 1.00 0.00 C ATOM 0 H LEU A 15 -15.678 -3.520 4.837 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.105 -4.404 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.924 -2.590 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.560 -2.700 1.915 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.973 -2.011 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.312 0.372 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.899 -0.329 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.433 -0.128 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.266 -1.064 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.424 -1.562 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.270 -2.792 4.337 1.00 0.00 H new ATOM 267 N VAL A 16 -15.403 -5.183 1.945 1.00 0.00 N ATOM 268 CA VAL A 16 -14.894 -6.115 0.912 1.00 0.00 C ATOM 269 C VAL A 16 -15.191 -7.550 1.341 1.00 0.00 C ATOM 270 O VAL A 16 -15.467 -8.400 0.520 1.00 0.00 O ATOM 271 CB VAL A 16 -13.385 -5.921 0.751 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.878 -6.767 -0.415 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.082 -4.442 0.465 1.00 0.00 C ATOM 0 H VAL A 16 -14.706 -4.544 2.328 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.383 -5.914 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.887 -6.228 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.803 -6.626 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.088 -7.819 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.381 -6.461 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.007 -4.306 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.586 -4.138 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.439 -3.831 1.294 1.00 0.00 H new ATOM 283 N MET A 17 -15.152 -7.836 2.618 1.00 0.00 N ATOM 284 CA MET A 17 -15.453 -9.220 3.053 1.00 0.00 C ATOM 285 C MET A 17 -16.926 -9.513 2.747 1.00 0.00 C ATOM 286 O MET A 17 -17.300 -10.635 2.467 1.00 0.00 O ATOM 287 CB MET A 17 -15.170 -9.352 4.556 1.00 0.00 C ATOM 288 CG MET A 17 -15.726 -10.675 5.082 1.00 0.00 C ATOM 289 SD MET A 17 -15.042 -11.007 6.724 1.00 0.00 S ATOM 290 CE MET A 17 -15.810 -12.628 6.966 1.00 0.00 C ATOM 0 H MET A 17 -14.927 -7.177 3.364 1.00 0.00 H new ATOM 0 HA MET A 17 -14.827 -9.937 2.523 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.096 -9.302 4.737 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.623 -8.519 5.094 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.814 -10.630 5.132 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.471 -11.486 4.400 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.518 -13.028 7.937 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.895 -12.526 6.927 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.481 -13.308 6.180 1.00 0.00 H new ATOM 300 N ARG A 18 -17.766 -8.509 2.790 1.00 0.00 N ATOM 301 CA ARG A 18 -19.212 -8.730 2.495 1.00 0.00 C ATOM 302 C ARG A 18 -19.425 -8.792 0.977 1.00 0.00 C ATOM 303 O ARG A 18 -20.352 -9.419 0.501 1.00 0.00 O ATOM 304 CB ARG A 18 -20.030 -7.574 3.076 1.00 0.00 C ATOM 305 CG ARG A 18 -21.520 -7.912 3.004 1.00 0.00 C ATOM 306 CD ARG A 18 -22.341 -6.708 3.470 1.00 0.00 C ATOM 307 NE ARG A 18 -21.890 -6.296 4.830 1.00 0.00 N ATOM 308 CZ ARG A 18 -22.529 -5.358 5.475 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.564 -4.780 4.930 1.00 0.00 N ATOM 310 NH2 ARG A 18 -22.134 -5.000 6.665 1.00 0.00 N ATOM 0 H ARG A 18 -17.512 -7.548 3.017 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.534 -9.670 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.738 -7.392 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.828 -6.657 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.794 -8.179 1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.738 -8.778 3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -22.223 -5.881 2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -23.401 -6.962 3.488 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.081 -6.748 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.874 -5.061 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -24.063 -4.047 5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -21.326 -5.453 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -22.633 -4.267 7.169 1.00 0.00 H new ATOM 324 N TYR A 19 -18.576 -8.143 0.214 1.00 0.00 N ATOM 325 CA TYR A 19 -18.720 -8.151 -1.280 1.00 0.00 C ATOM 326 C TYR A 19 -17.719 -9.136 -1.886 1.00 0.00 C ATOM 327 O TYR A 19 -17.723 -9.390 -3.074 1.00 0.00 O ATOM 328 CB TYR A 19 -18.435 -6.746 -1.817 1.00 0.00 C ATOM 329 CG TYR A 19 -19.438 -5.773 -1.231 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.790 -5.884 -1.574 1.00 0.00 C ATOM 331 CD2 TYR A 19 -19.024 -4.772 -0.339 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.727 -5.000 -1.028 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.962 -3.888 0.205 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.313 -4.002 -0.138 1.00 0.00 C ATOM 335 OH TYR A 19 -22.239 -3.130 0.400 1.00 0.00 O ATOM 0 H TYR A 19 -17.784 -7.604 0.564 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.732 -8.453 -1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.421 -6.443 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.498 -6.740 -2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.111 -6.653 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.981 -4.684 -0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.770 -5.088 -1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.643 -3.117 0.890 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.786 -2.500 0.999 1.00 0.00 H new ATOM 345 N GLY A 20 -16.857 -9.686 -1.076 1.00 0.00 N ATOM 346 CA GLY A 20 -15.844 -10.652 -1.589 1.00 0.00 C ATOM 347 C GLY A 20 -14.647 -9.877 -2.132 1.00 0.00 C ATOM 348 O GLY A 20 -13.587 -9.877 -1.543 1.00 0.00 O ATOM 0 H GLY A 20 -16.810 -9.506 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.527 -11.324 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.278 -11.272 -2.374 1.00 0.00 H new ATOM 352 N ALA A 21 -14.834 -9.208 -3.245 1.00 0.00 N ATOM 353 CA ALA A 21 -13.741 -8.394 -3.884 1.00 0.00 C ATOM 354 C ALA A 21 -14.048 -8.237 -5.382 1.00 0.00 C ATOM 355 O ALA A 21 -13.216 -8.492 -6.230 1.00 0.00 O ATOM 356 CB ALA A 21 -12.368 -9.081 -3.704 1.00 0.00 C ATOM 0 H ALA A 21 -15.719 -9.190 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.699 -7.416 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.593 -8.475 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.151 -9.187 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.390 -10.066 -4.170 1.00 0.00 H new ATOM 362 N LYS A 22 -15.241 -7.825 -5.722 1.00 0.00 N ATOM 363 CA LYS A 22 -15.582 -7.663 -7.175 1.00 0.00 C ATOM 364 C LYS A 22 -16.690 -6.617 -7.382 1.00 0.00 C ATOM 365 O LYS A 22 -16.976 -6.244 -8.503 1.00 0.00 O ATOM 366 CB LYS A 22 -16.044 -9.010 -7.732 1.00 0.00 C ATOM 367 CG LYS A 22 -17.356 -9.431 -7.057 1.00 0.00 C ATOM 368 CD LYS A 22 -17.653 -10.903 -7.365 1.00 0.00 C ATOM 369 CE LYS A 22 -17.667 -11.130 -8.882 1.00 0.00 C ATOM 370 NZ LYS A 22 -18.357 -9.992 -9.551 1.00 0.00 N ATOM 0 H LYS A 22 -15.989 -7.595 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.691 -7.318 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.186 -8.938 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.278 -9.766 -7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.284 -9.283 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.175 -8.804 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.899 -11.539 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.615 -11.185 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.647 -11.221 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.176 -12.065 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.771 -10.316 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.111 -9.631 -8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.672 -9.233 -9.740 1.00 0.00 H new ATOM 384 N ASP A 23 -17.309 -6.131 -6.328 1.00 0.00 N ATOM 385 CA ASP A 23 -18.389 -5.099 -6.477 1.00 0.00 C ATOM 386 C ASP A 23 -17.857 -3.757 -5.976 1.00 0.00 C ATOM 387 O ASP A 23 -18.495 -3.070 -5.204 1.00 0.00 O ATOM 388 CB ASP A 23 -19.606 -5.513 -5.642 1.00 0.00 C ATOM 389 CG ASP A 23 -19.920 -6.988 -5.895 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.599 -7.269 -6.869 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.478 -7.811 -5.111 1.00 0.00 O ATOM 0 H ASP A 23 -17.111 -6.407 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.684 -5.014 -7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.407 -5.349 -4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.466 -4.897 -5.903 1.00 0.00 H new ATOM 396 N TRP A 24 -16.688 -3.384 -6.412 1.00 0.00 N ATOM 397 CA TRP A 24 -16.103 -2.091 -5.966 1.00 0.00 C ATOM 398 C TRP A 24 -16.983 -0.942 -6.454 1.00 0.00 C ATOM 399 O TRP A 24 -16.877 0.175 -5.990 1.00 0.00 O ATOM 400 CB TRP A 24 -14.691 -1.953 -6.535 1.00 0.00 C ATOM 401 CG TRP A 24 -13.875 -3.101 -6.059 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.628 -4.232 -6.757 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.209 -3.248 -4.784 1.00 0.00 C ATOM 404 NE1 TRP A 24 -12.841 -5.067 -5.983 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.558 -4.502 -4.752 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.111 -2.415 -3.663 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.832 -4.913 -3.634 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.384 -2.819 -2.539 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.745 -4.067 -2.523 1.00 0.00 C ATOM 0 H TRP A 24 -16.111 -3.920 -7.060 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.053 -2.062 -4.878 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.722 -1.936 -7.624 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.244 -1.012 -6.214 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.985 -4.448 -7.753 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.511 -5.984 -6.283 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.601 -1.453 -3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.342 -5.875 -3.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.314 -2.168 -1.680 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.185 -4.375 -1.652 1.00 0.00 H new ATOM 420 N ILE A 25 -17.869 -1.215 -7.370 1.00 0.00 N ATOM 421 CA ILE A 25 -18.773 -0.149 -7.867 1.00 0.00 C ATOM 422 C ILE A 25 -19.784 0.158 -6.766 1.00 0.00 C ATOM 423 O ILE A 25 -20.207 1.280 -6.590 1.00 0.00 O ATOM 424 CB ILE A 25 -19.499 -0.628 -9.135 1.00 0.00 C ATOM 425 CG1 ILE A 25 -19.944 -2.085 -8.957 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.559 -0.531 -10.340 1.00 0.00 C ATOM 427 CD1 ILE A 25 -20.910 -2.467 -10.082 1.00 0.00 C ATOM 0 H ILE A 25 -18.004 -2.132 -7.795 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.205 0.747 -8.118 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.372 0.003 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.077 -2.745 -8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.428 -2.212 -7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.079 -0.872 -11.235 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.245 0.504 -10.474 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -17.683 -1.156 -10.169 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.226 -3.503 -9.955 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.783 -1.815 -10.049 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.410 -2.356 -11.044 1.00 0.00 H new ATOM 439 N ARG A 26 -20.161 -0.838 -6.011 1.00 0.00 N ATOM 440 CA ARG A 26 -21.131 -0.613 -4.911 1.00 0.00 C ATOM 441 C ARG A 26 -20.388 0.017 -3.743 1.00 0.00 C ATOM 442 O ARG A 26 -20.795 1.020 -3.194 1.00 0.00 O ATOM 443 CB ARG A 26 -21.732 -1.951 -4.470 1.00 0.00 C ATOM 444 CG ARG A 26 -22.704 -2.457 -5.535 1.00 0.00 C ATOM 445 CD ARG A 26 -23.355 -3.752 -5.047 1.00 0.00 C ATOM 446 NE ARG A 26 -24.447 -4.144 -5.982 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.276 -5.097 -5.654 1.00 0.00 C ATOM 448 NH1 ARG A 26 -25.149 -5.710 -4.508 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.233 -5.439 -6.474 1.00 0.00 N ATOM 0 H ARG A 26 -19.836 -1.799 -6.112 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.935 0.042 -5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -20.939 -2.682 -4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -22.250 -1.832 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.467 -1.705 -5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.176 -2.632 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.610 -4.546 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.754 -3.614 -4.042 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.547 -3.667 -6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -24.401 -5.444 -3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.798 -6.455 -4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.332 -4.961 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.882 -6.184 -6.219 1.00 0.00 H new ATOM 463 N ILE A 27 -19.290 -0.565 -3.362 1.00 0.00 N ATOM 464 CA ILE A 27 -18.513 0.003 -2.235 1.00 0.00 C ATOM 465 C ILE A 27 -18.166 1.458 -2.548 1.00 0.00 C ATOM 466 O ILE A 27 -18.085 2.294 -1.670 1.00 0.00 O ATOM 467 CB ILE A 27 -17.222 -0.792 -2.045 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.565 -2.268 -1.816 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.469 -0.242 -0.831 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.284 -3.110 -1.827 1.00 0.00 C ATOM 0 H ILE A 27 -18.898 -1.408 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.107 -0.050 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.596 -0.701 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.080 -2.387 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.246 -2.617 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.546 -0.805 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.231 0.809 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.092 -0.338 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.536 -4.158 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.786 -3.002 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.618 -2.769 -1.034 1.00 0.00 H new ATOM 482 N SER A 28 -17.959 1.764 -3.799 1.00 0.00 N ATOM 483 CA SER A 28 -17.614 3.160 -4.178 1.00 0.00 C ATOM 484 C SER A 28 -18.860 4.038 -4.072 1.00 0.00 C ATOM 485 O SER A 28 -18.774 5.218 -3.798 1.00 0.00 O ATOM 486 CB SER A 28 -17.084 3.179 -5.612 1.00 0.00 C ATOM 487 OG SER A 28 -15.803 2.564 -5.647 1.00 0.00 O ATOM 0 H SER A 28 -18.014 1.105 -4.576 1.00 0.00 H new ATOM 0 HA SER A 28 -16.847 3.545 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.772 2.652 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.018 4.205 -5.974 1.00 0.00 H new ATOM 0 HG SER A 28 -15.902 1.614 -5.868 1.00 0.00 H new ATOM 493 N GLN A 29 -20.021 3.476 -4.275 1.00 0.00 N ATOM 494 CA GLN A 29 -21.261 4.299 -4.171 1.00 0.00 C ATOM 495 C GLN A 29 -21.395 4.796 -2.730 1.00 0.00 C ATOM 496 O GLN A 29 -21.830 5.902 -2.481 1.00 0.00 O ATOM 497 CB GLN A 29 -22.487 3.454 -4.557 1.00 0.00 C ATOM 498 CG GLN A 29 -22.569 3.317 -6.090 1.00 0.00 C ATOM 499 CD GLN A 29 -23.191 4.581 -6.696 1.00 0.00 C ATOM 500 OE1 GLN A 29 -22.550 5.610 -6.775 1.00 0.00 O ATOM 501 NE2 GLN A 29 -24.421 4.544 -7.131 1.00 0.00 N ATOM 0 H GLN A 29 -20.165 2.493 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.202 5.149 -4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.419 2.468 -4.098 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.395 3.920 -4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.573 3.158 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.167 2.445 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.960 3.680 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -24.844 5.379 -7.537 1.00 0.00 H new ATOM 510 N LEU A 30 -21.006 3.992 -1.779 1.00 0.00 N ATOM 511 CA LEU A 30 -21.090 4.430 -0.360 1.00 0.00 C ATOM 512 C LEU A 30 -20.089 5.568 -0.152 1.00 0.00 C ATOM 513 O LEU A 30 -20.395 6.577 0.453 1.00 0.00 O ATOM 514 CB LEU A 30 -20.750 3.254 0.568 1.00 0.00 C ATOM 515 CG LEU A 30 -21.425 1.975 0.059 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.163 0.840 1.051 1.00 0.00 C ATOM 517 CD2 LEU A 30 -22.937 2.203 -0.074 1.00 0.00 C ATOM 0 H LEU A 30 -20.635 3.053 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.099 4.772 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.670 3.113 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.083 3.472 1.583 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.017 1.712 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.641 -0.072 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.089 0.676 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.572 1.107 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.412 1.291 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.352 2.467 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.122 3.013 -0.779 1.00 0.00 H new ATOM 529 N MET A 31 -18.894 5.403 -0.666 1.00 0.00 N ATOM 530 CA MET A 31 -17.833 6.455 -0.538 1.00 0.00 C ATOM 531 C MET A 31 -17.496 6.992 -1.931 1.00 0.00 C ATOM 532 O MET A 31 -16.387 6.855 -2.408 1.00 0.00 O ATOM 533 CB MET A 31 -16.579 5.835 0.083 1.00 0.00 C ATOM 534 CG MET A 31 -16.910 5.296 1.476 1.00 0.00 C ATOM 535 SD MET A 31 -15.379 4.829 2.323 1.00 0.00 S ATOM 536 CE MET A 31 -15.012 6.445 3.052 1.00 0.00 C ATOM 0 H MET A 31 -18.603 4.570 -1.178 1.00 0.00 H new ATOM 0 HA MET A 31 -18.190 7.267 0.096 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.207 5.030 -0.551 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.787 6.581 0.149 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.441 6.053 2.053 1.00 0.00 H new ATOM 0 HG3 MET A 31 -17.571 4.433 1.396 1.00 0.00 H new ATOM 0 HE1 MET A 31 -14.089 6.383 3.629 1.00 0.00 H new ATOM 0 HE2 MET A 31 -14.895 7.184 2.259 1.00 0.00 H new ATOM 0 HE3 MET A 31 -15.830 6.743 3.707 1.00 0.00 H new ATOM 546 N ILE A 32 -18.448 7.597 -2.590 1.00 0.00 N ATOM 547 CA ILE A 32 -18.196 8.144 -3.958 1.00 0.00 C ATOM 548 C ILE A 32 -16.897 8.951 -3.970 1.00 0.00 C ATOM 549 O ILE A 32 -16.347 9.244 -5.014 1.00 0.00 O ATOM 550 CB ILE A 32 -19.361 9.052 -4.359 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.613 10.071 -3.243 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.620 8.208 -4.575 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.745 11.013 -3.656 1.00 0.00 C ATOM 0 H ILE A 32 -19.395 7.737 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.108 7.318 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.115 9.574 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.874 9.556 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.705 10.641 -3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.448 8.857 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.439 7.481 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.870 7.685 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -20.924 11.738 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.466 11.538 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.653 10.436 -3.831 1.00 0.00 H new ATOM 565 N THR A 33 -16.400 9.313 -2.821 1.00 0.00 N ATOM 566 CA THR A 33 -15.137 10.099 -2.772 1.00 0.00 C ATOM 567 C THR A 33 -13.970 9.220 -3.227 1.00 0.00 C ATOM 568 O THR A 33 -12.863 9.691 -3.404 1.00 0.00 O ATOM 569 CB THR A 33 -14.891 10.582 -1.341 1.00 0.00 C ATOM 570 OG1 THR A 33 -14.893 9.467 -0.461 1.00 0.00 O ATOM 571 CG2 THR A 33 -15.995 11.559 -0.933 1.00 0.00 C ATOM 0 H THR A 33 -16.814 9.099 -1.914 1.00 0.00 H new ATOM 0 HA THR A 33 -15.219 10.961 -3.434 1.00 0.00 H new ATOM 0 HB THR A 33 -13.926 11.086 -1.288 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.894 9.783 0.467 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.819 11.902 0.086 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.993 12.414 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.962 11.058 -0.985 1.00 0.00 H new ATOM 579 N ARG A 34 -14.212 7.941 -3.415 1.00 0.00 N ATOM 580 CA ARG A 34 -13.128 6.999 -3.862 1.00 0.00 C ATOM 581 C ARG A 34 -13.571 6.310 -5.151 1.00 0.00 C ATOM 582 O ARG A 34 -14.727 5.981 -5.328 1.00 0.00 O ATOM 583 CB ARG A 34 -12.897 5.925 -2.770 1.00 0.00 C ATOM 584 CG ARG A 34 -11.807 6.380 -1.785 1.00 0.00 C ATOM 585 CD ARG A 34 -12.264 7.637 -0.999 1.00 0.00 C ATOM 586 NE ARG A 34 -11.545 8.830 -1.526 1.00 0.00 N ATOM 587 CZ ARG A 34 -11.582 9.959 -0.868 1.00 0.00 C ATOM 588 NH1 ARG A 34 -12.245 10.040 0.252 1.00 0.00 N ATOM 589 NH2 ARG A 34 -10.955 11.004 -1.333 1.00 0.00 N ATOM 0 H ARG A 34 -15.123 7.504 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.205 7.554 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -13.827 5.740 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.605 4.983 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.580 5.573 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.888 6.600 -2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.341 7.772 -1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.056 7.512 0.064 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.024 8.766 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.735 9.222 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.274 10.921 0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.437 10.940 -2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.983 11.885 -0.821 1.00 0.00 H new ATOM 603 N ASN A 35 -12.650 6.066 -6.045 1.00 0.00 N ATOM 604 CA ASN A 35 -13.002 5.371 -7.313 1.00 0.00 C ATOM 605 C ASN A 35 -12.849 3.862 -7.085 1.00 0.00 C ATOM 606 O ASN A 35 -12.063 3.450 -6.257 1.00 0.00 O ATOM 607 CB ASN A 35 -12.056 5.838 -8.430 1.00 0.00 C ATOM 608 CG ASN A 35 -11.859 7.351 -8.328 1.00 0.00 C ATOM 609 OD1 ASN A 35 -10.823 7.867 -8.699 1.00 0.00 O ATOM 610 ND2 ASN A 35 -12.816 8.091 -7.838 1.00 0.00 N ATOM 0 H ASN A 35 -11.667 6.320 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.026 5.600 -7.607 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.096 5.329 -8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.470 5.579 -9.404 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.694 9.101 -7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.686 7.659 -7.526 1.00 0.00 H new ATOM 617 N PRO A 36 -13.579 3.032 -7.796 1.00 0.00 N ATOM 618 CA PRO A 36 -13.470 1.557 -7.619 1.00 0.00 C ATOM 619 C PRO A 36 -12.008 1.111 -7.481 1.00 0.00 C ATOM 620 O PRO A 36 -11.684 0.208 -6.736 1.00 0.00 O ATOM 621 CB PRO A 36 -14.089 1.008 -8.912 1.00 0.00 C ATOM 622 CG PRO A 36 -15.121 2.022 -9.298 1.00 0.00 C ATOM 623 CD PRO A 36 -14.577 3.383 -8.831 1.00 0.00 C ATOM 0 HA PRO A 36 -13.964 1.202 -6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.337 0.891 -9.693 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.537 0.028 -8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.288 2.018 -10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.079 1.802 -8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.122 3.935 -9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.369 4.012 -8.425 1.00 0.00 H new ATOM 631 N ARG A 37 -11.134 1.750 -8.205 1.00 0.00 N ATOM 632 CA ARG A 37 -9.690 1.394 -8.147 1.00 0.00 C ATOM 633 C ARG A 37 -9.060 1.895 -6.841 1.00 0.00 C ATOM 634 O ARG A 37 -8.082 1.352 -6.371 1.00 0.00 O ATOM 635 CB ARG A 37 -8.966 2.038 -9.331 1.00 0.00 C ATOM 636 CG ARG A 37 -9.593 1.553 -10.639 1.00 0.00 C ATOM 637 CD ARG A 37 -8.808 2.120 -11.823 1.00 0.00 C ATOM 638 NE ARG A 37 -9.368 1.582 -13.095 1.00 0.00 N ATOM 639 CZ ARG A 37 -8.719 1.746 -14.215 1.00 0.00 C ATOM 640 NH1 ARG A 37 -7.578 2.380 -14.223 1.00 0.00 N ATOM 641 NH2 ARG A 37 -9.211 1.275 -15.328 1.00 0.00 N ATOM 0 H ARG A 37 -11.361 2.513 -8.842 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.595 0.309 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.033 3.124 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.907 1.782 -9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.589 0.464 -10.675 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.635 1.870 -10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.863 3.209 -11.821 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.755 1.853 -11.736 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.259 1.085 -13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.193 2.748 -13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.072 2.508 -15.099 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.102 0.779 -15.322 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.704 1.403 -16.204 1.00 0.00 H new ATOM 655 N GLN A 38 -9.586 2.942 -6.262 1.00 0.00 N ATOM 656 CA GLN A 38 -8.982 3.480 -5.015 1.00 0.00 C ATOM 657 C GLN A 38 -9.118 2.483 -3.862 1.00 0.00 C ATOM 658 O GLN A 38 -8.165 2.221 -3.155 1.00 0.00 O ATOM 659 CB GLN A 38 -9.681 4.791 -4.658 1.00 0.00 C ATOM 660 CG GLN A 38 -9.303 5.871 -5.677 1.00 0.00 C ATOM 661 CD GLN A 38 -7.849 6.299 -5.458 1.00 0.00 C ATOM 662 OE1 GLN A 38 -7.300 6.105 -4.392 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.198 6.877 -6.431 1.00 0.00 N ATOM 0 H GLN A 38 -10.406 3.445 -6.600 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.919 3.654 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.762 4.648 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.393 5.107 -3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.432 5.490 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.965 6.731 -5.573 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.658 7.040 -7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.229 7.165 -6.296 1.00 0.00 H new ATOM 672 N CYS A 39 -10.278 1.921 -3.651 1.00 0.00 N ATOM 673 CA CYS A 39 -10.428 0.953 -2.533 1.00 0.00 C ATOM 674 C CYS A 39 -9.922 -0.410 -2.987 1.00 0.00 C ATOM 675 O CYS A 39 -9.348 -1.156 -2.219 1.00 0.00 O ATOM 676 CB CYS A 39 -11.896 0.841 -2.152 1.00 0.00 C ATOM 677 SG CYS A 39 -12.518 2.466 -1.654 1.00 0.00 S ATOM 0 H CYS A 39 -11.120 2.090 -4.201 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.855 1.295 -1.671 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.473 0.462 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -12.017 0.128 -1.336 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.773 2.370 -1.331 1.00 0.00 H new ATOM 683 N ARG A 40 -10.125 -0.745 -4.231 1.00 0.00 N ATOM 684 CA ARG A 40 -9.642 -2.065 -4.711 1.00 0.00 C ATOM 685 C ARG A 40 -8.126 -2.094 -4.622 1.00 0.00 C ATOM 686 O ARG A 40 -7.543 -3.042 -4.137 1.00 0.00 O ATOM 687 CB ARG A 40 -10.058 -2.297 -6.158 1.00 0.00 C ATOM 688 CG ARG A 40 -9.536 -3.666 -6.616 1.00 0.00 C ATOM 689 CD ARG A 40 -10.171 -4.036 -7.950 1.00 0.00 C ATOM 690 NE ARG A 40 -9.465 -5.216 -8.527 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.954 -5.821 -9.575 1.00 0.00 C ATOM 692 NH1 ARG A 40 -11.062 -5.395 -10.119 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.336 -6.854 -10.080 1.00 0.00 N ATOM 0 H ARG A 40 -10.599 -0.169 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.078 -2.848 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.144 -2.259 -6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.657 -1.509 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.451 -3.638 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.769 -4.424 -5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.228 -4.263 -7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.114 -3.193 -8.638 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.600 -5.550 -8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.546 -4.588 -9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.443 -5.869 -10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.471 -7.188 -9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.718 -7.327 -10.899 1.00 0.00 H new ATOM 707 N GLU A 41 -7.480 -1.058 -5.091 1.00 0.00 N ATOM 708 CA GLU A 41 -5.989 -1.013 -5.037 1.00 0.00 C ATOM 709 C GLU A 41 -5.528 -1.454 -3.642 1.00 0.00 C ATOM 710 O GLU A 41 -4.471 -2.033 -3.489 1.00 0.00 O ATOM 711 CB GLU A 41 -5.502 0.422 -5.331 1.00 0.00 C ATOM 712 CG GLU A 41 -5.388 0.642 -6.851 1.00 0.00 C ATOM 713 CD GLU A 41 -5.310 2.142 -7.154 1.00 0.00 C ATOM 714 OE1 GLU A 41 -5.151 2.907 -6.218 1.00 0.00 O ATOM 715 OE2 GLU A 41 -5.410 2.497 -8.317 1.00 0.00 O ATOM 0 H GLU A 41 -7.922 -0.240 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.569 -1.684 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.196 1.145 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.534 0.590 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.501 0.138 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.248 0.204 -7.357 1.00 0.00 H new ATOM 722 N ARG A 42 -6.321 -1.215 -2.625 1.00 0.00 N ATOM 723 CA ARG A 42 -5.899 -1.668 -1.265 1.00 0.00 C ATOM 724 C ARG A 42 -6.099 -3.184 -1.158 1.00 0.00 C ATOM 725 O ARG A 42 -5.336 -3.878 -0.519 1.00 0.00 O ATOM 726 CB ARG A 42 -6.732 -0.965 -0.186 1.00 0.00 C ATOM 727 CG ARG A 42 -6.829 0.540 -0.468 1.00 0.00 C ATOM 728 CD ARG A 42 -5.460 1.119 -0.862 1.00 0.00 C ATOM 729 NE ARG A 42 -4.412 0.637 0.082 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.183 1.064 -0.041 1.00 0.00 C ATOM 731 NH1 ARG A 42 -2.879 1.916 -0.982 1.00 0.00 N ATOM 732 NH2 ARG A 42 -2.258 0.642 0.775 1.00 0.00 N ATOM 0 H ARG A 42 -7.221 -0.737 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.849 -1.418 -1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.732 -1.398 -0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.280 -1.128 0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.547 0.717 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.204 1.055 0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.209 0.821 -1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.499 2.208 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.653 -0.023 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.601 2.249 -1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.920 2.249 -1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.493 -0.023 1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.300 0.977 0.677 1.00 0.00 H new ATOM 746 N TRP A 43 -7.129 -3.700 -1.775 1.00 0.00 N ATOM 747 CA TRP A 43 -7.396 -5.170 -1.708 1.00 0.00 C ATOM 748 C TRP A 43 -6.115 -5.961 -1.944 1.00 0.00 C ATOM 749 O TRP A 43 -5.696 -6.725 -1.110 1.00 0.00 O ATOM 750 CB TRP A 43 -8.388 -5.516 -2.828 1.00 0.00 C ATOM 751 CG TRP A 43 -8.832 -6.945 -2.744 1.00 0.00 C ATOM 752 CD1 TRP A 43 -9.297 -7.564 -1.635 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.880 -7.936 -3.813 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.619 -8.872 -1.953 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.379 -9.148 -3.283 1.00 0.00 C ATOM 756 CE3 TRP A 43 -8.537 -7.899 -5.177 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.535 -10.285 -4.079 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -8.691 -9.041 -5.980 1.00 0.00 C ATOM 759 CH2 TRP A 43 -9.189 -10.232 -5.432 1.00 0.00 C ATOM 0 H TRP A 43 -7.801 -3.165 -2.325 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.791 -5.423 -0.724 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.256 -4.860 -2.763 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.923 -5.334 -3.797 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.400 -7.111 -0.660 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.989 -9.549 -1.286 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.153 -6.987 -5.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.920 -11.199 -3.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.424 -9.002 -7.026 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.305 -11.107 -6.055 1.00 0.00 H new ATOM 770 N ASN A 44 -5.490 -5.768 -3.063 1.00 0.00 N ATOM 771 CA ASN A 44 -4.240 -6.522 -3.366 1.00 0.00 C ATOM 772 C ASN A 44 -3.053 -5.957 -2.585 1.00 0.00 C ATOM 773 O ASN A 44 -2.181 -6.688 -2.160 1.00 0.00 O ATOM 774 CB ASN A 44 -3.954 -6.423 -4.868 1.00 0.00 C ATOM 775 CG ASN A 44 -5.227 -6.758 -5.653 1.00 0.00 C ATOM 776 OD1 ASN A 44 -5.475 -7.905 -5.968 1.00 0.00 O ATOM 777 ND2 ASN A 44 -6.052 -5.799 -5.984 1.00 0.00 N ATOM 0 H ASN A 44 -5.789 -5.117 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.378 -7.562 -3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.613 -5.419 -5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.153 -7.109 -5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.902 -6.015 -6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.846 -4.835 -5.721 1.00 0.00 H new ATOM 784 N ASN A 45 -2.993 -4.666 -2.408 1.00 0.00 N ATOM 785 CA ASN A 45 -1.838 -4.060 -1.672 1.00 0.00 C ATOM 786 C ASN A 45 -2.142 -3.955 -0.177 1.00 0.00 C ATOM 787 O ASN A 45 -1.491 -3.217 0.535 1.00 0.00 O ATOM 788 CB ASN A 45 -1.567 -2.662 -2.228 1.00 0.00 C ATOM 789 CG ASN A 45 -1.193 -2.764 -3.708 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.273 -3.470 -4.068 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.875 -2.082 -4.588 1.00 0.00 N ATOM 0 H ASN A 45 -3.692 -4.001 -2.740 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.964 -4.698 -1.807 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.450 -2.034 -2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.760 -2.188 -1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.635 -2.142 -5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.648 -1.489 -4.286 1.00 0.00 H new ATOM 798 N TYR A 46 -3.113 -4.680 0.323 1.00 0.00 N ATOM 799 CA TYR A 46 -3.415 -4.594 1.788 1.00 0.00 C ATOM 800 C TYR A 46 -4.008 -5.926 2.280 1.00 0.00 C ATOM 801 O TYR A 46 -3.481 -6.533 3.191 1.00 0.00 O ATOM 802 CB TYR A 46 -4.382 -3.415 2.045 1.00 0.00 C ATOM 803 CG TYR A 46 -4.034 -2.722 3.356 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.972 -3.465 4.539 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.773 -1.342 3.385 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.653 -2.837 5.748 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.453 -0.715 4.595 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.394 -1.462 5.776 1.00 0.00 C ATOM 809 OH TYR A 46 -3.081 -0.843 6.969 1.00 0.00 O ATOM 0 H TYR A 46 -3.703 -5.319 -0.210 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.497 -4.412 2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.324 -2.702 1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.409 -3.779 2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.171 -4.526 4.519 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.819 -0.765 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.607 -3.414 6.660 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.252 0.346 4.617 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.929 0.112 6.812 1.00 0.00 H new ATOM 819 N ILE A 47 -5.088 -6.395 1.692 1.00 0.00 N ATOM 820 CA ILE A 47 -5.688 -7.699 2.147 1.00 0.00 C ATOM 821 C ILE A 47 -6.278 -8.475 0.952 1.00 0.00 C ATOM 822 O ILE A 47 -7.160 -8.019 0.251 1.00 0.00 O ATOM 823 CB ILE A 47 -6.752 -7.471 3.274 1.00 0.00 C ATOM 824 CG1 ILE A 47 -8.173 -7.153 2.738 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.311 -6.321 4.186 1.00 0.00 C ATOM 826 CD1 ILE A 47 -8.207 -5.815 1.987 1.00 0.00 C ATOM 0 H ILE A 47 -5.577 -5.937 0.923 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.893 -8.309 2.576 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.811 -8.412 3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.499 -7.953 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.878 -7.122 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.056 -6.169 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.352 -6.566 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.210 -5.409 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.218 -5.626 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.906 -5.012 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.521 -5.855 1.141 1.00 0.00 H new ATOM 838 N ASN A 48 -5.767 -9.662 0.731 1.00 0.00 N ATOM 839 CA ASN A 48 -6.247 -10.538 -0.384 1.00 0.00 C ATOM 840 C ASN A 48 -5.451 -11.859 -0.370 1.00 0.00 C ATOM 841 O ASN A 48 -6.014 -12.923 -0.526 1.00 0.00 O ATOM 842 CB ASN A 48 -6.095 -9.802 -1.751 1.00 0.00 C ATOM 843 CG ASN A 48 -5.250 -10.601 -2.763 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.744 -11.508 -3.404 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.990 -10.294 -2.927 1.00 0.00 N ATOM 0 H ASN A 48 -5.019 -10.070 1.291 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.304 -10.765 -0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.083 -9.619 -2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.633 -8.828 -1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.421 -10.816 -3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.576 -9.533 -2.389 1.00 0.00 H new ATOM 852 N PRO A 49 -4.147 -11.790 -0.220 1.00 0.00 N ATOM 853 CA PRO A 49 -3.263 -12.979 -0.229 1.00 0.00 C ATOM 854 C PRO A 49 -2.859 -13.426 1.185 1.00 0.00 C ATOM 855 O PRO A 49 -3.622 -14.050 1.894 1.00 0.00 O ATOM 856 CB PRO A 49 -2.059 -12.432 -1.002 1.00 0.00 C ATOM 857 CG PRO A 49 -1.937 -10.995 -0.539 1.00 0.00 C ATOM 858 CD PRO A 49 -3.337 -10.576 -0.021 1.00 0.00 C ATOM 0 HA PRO A 49 -3.725 -13.867 -0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.154 -12.999 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.218 -12.491 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.189 -10.904 0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.618 -10.350 -1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.306 -10.280 1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.736 -9.730 -0.580 1.00 0.00 H new ATOM 866 N ALA A 50 -1.661 -13.105 1.587 1.00 0.00 N ATOM 867 CA ALA A 50 -1.177 -13.494 2.940 1.00 0.00 C ATOM 868 C ALA A 50 0.217 -12.904 3.127 1.00 0.00 C ATOM 869 O ALA A 50 1.063 -13.457 3.802 1.00 0.00 O ATOM 870 CB ALA A 50 -1.115 -15.021 3.050 1.00 0.00 C ATOM 0 H ALA A 50 -0.988 -12.582 1.027 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.854 -13.119 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.760 -15.300 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.109 -15.438 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.431 -15.413 2.297 1.00 0.00 H new ATOM 876 N LEU A 51 0.455 -11.779 2.515 1.00 0.00 N ATOM 877 CA LEU A 51 1.785 -11.114 2.617 1.00 0.00 C ATOM 878 C LEU A 51 2.071 -10.691 4.061 1.00 0.00 C ATOM 879 O LEU A 51 2.969 -9.912 4.314 1.00 0.00 O ATOM 880 CB LEU A 51 1.819 -9.879 1.690 1.00 0.00 C ATOM 881 CG LEU A 51 0.549 -8.985 1.877 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.795 -7.903 2.938 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.193 -8.286 0.554 1.00 0.00 C ATOM 0 H LEU A 51 -0.226 -11.284 1.939 1.00 0.00 H new ATOM 0 HA LEU A 51 2.554 -11.822 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.713 -9.291 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.886 -10.204 0.652 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.268 -9.633 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.102 -7.294 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.035 -8.375 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.627 -7.271 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.693 -7.667 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.027 -7.659 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.008 -9.036 -0.211 1.00 0.00 H new ATOM 895 N ARG A 52 1.331 -11.193 5.017 1.00 0.00 N ATOM 896 CA ARG A 52 1.587 -10.809 6.437 1.00 0.00 C ATOM 897 C ARG A 52 3.078 -10.973 6.747 1.00 0.00 C ATOM 898 O ARG A 52 3.578 -10.472 7.733 1.00 0.00 O ATOM 899 CB ARG A 52 0.768 -11.708 7.366 1.00 0.00 C ATOM 900 CG ARG A 52 -0.724 -11.495 7.096 1.00 0.00 C ATOM 901 CD ARG A 52 -1.550 -12.546 7.847 1.00 0.00 C ATOM 902 NE ARG A 52 -1.523 -12.256 9.314 1.00 0.00 N ATOM 903 CZ ARG A 52 -0.579 -12.747 10.080 1.00 0.00 C ATOM 904 NH1 ARG A 52 0.363 -13.496 9.572 1.00 0.00 N ATOM 905 NH2 ARG A 52 -0.579 -12.484 11.358 1.00 0.00 N ATOM 0 H ARG A 52 0.563 -11.850 4.876 1.00 0.00 H new ATOM 0 HA ARG A 52 1.296 -9.770 6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.032 -12.753 7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.997 -11.478 8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.020 -10.495 7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.921 -11.562 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.578 -12.541 7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.149 -13.542 7.656 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.249 -11.668 9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.367 -13.702 8.573 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.094 -13.874 10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.312 -11.898 11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.154 -12.864 11.957 1.00 0.00 H new ATOM 919 N THR A 53 3.790 -11.671 5.899 1.00 0.00 N ATOM 920 CA THR A 53 5.254 -11.874 6.122 1.00 0.00 C ATOM 921 C THR A 53 5.950 -12.045 4.767 1.00 0.00 C ATOM 922 O THR A 53 6.486 -13.093 4.463 1.00 0.00 O ATOM 923 CB THR A 53 5.470 -13.131 6.973 1.00 0.00 C ATOM 924 OG1 THR A 53 4.611 -13.086 8.103 1.00 0.00 O ATOM 925 CG2 THR A 53 6.926 -13.195 7.439 1.00 0.00 C ATOM 0 H THR A 53 3.418 -12.111 5.057 1.00 0.00 H new ATOM 0 HA THR A 53 5.671 -11.011 6.641 1.00 0.00 H new ATOM 0 HB THR A 53 5.245 -14.016 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.746 -13.889 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.076 -14.090 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.585 -13.229 6.571 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.156 -12.312 8.035 1.00 0.00 H new ATOM 933 N ASP A 54 5.943 -11.016 3.950 1.00 0.00 N ATOM 934 CA ASP A 54 6.601 -11.092 2.604 1.00 0.00 C ATOM 935 C ASP A 54 7.422 -9.822 2.381 1.00 0.00 C ATOM 936 O ASP A 54 7.005 -8.929 1.675 1.00 0.00 O ATOM 937 CB ASP A 54 5.521 -11.189 1.522 1.00 0.00 C ATOM 938 CG ASP A 54 6.185 -11.287 0.147 1.00 0.00 C ATOM 939 OD1 ASP A 54 7.363 -11.600 0.100 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.503 -11.048 -0.835 1.00 0.00 O ATOM 0 H ASP A 54 5.506 -10.119 4.160 1.00 0.00 H new ATOM 0 HA ASP A 54 7.250 -11.967 2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.893 -12.062 1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.871 -10.315 1.562 1.00 0.00 H new ATOM 945 N PRO A 55 8.582 -9.733 2.986 1.00 0.00 N ATOM 946 CA PRO A 55 9.462 -8.542 2.856 1.00 0.00 C ATOM 947 C PRO A 55 10.343 -8.601 1.605 1.00 0.00 C ATOM 948 O PRO A 55 10.902 -9.627 1.268 1.00 0.00 O ATOM 949 CB PRO A 55 10.309 -8.615 4.128 1.00 0.00 C ATOM 950 CG PRO A 55 10.493 -10.082 4.352 1.00 0.00 C ATOM 951 CD PRO A 55 9.192 -10.753 3.866 1.00 0.00 C ATOM 0 HA PRO A 55 8.900 -7.614 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.265 -8.107 4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.806 -8.142 4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.355 -10.456 3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.673 -10.296 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.395 -11.678 3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.537 -11.007 4.699 1.00 0.00 H new ATOM 959 N TRP A 56 10.471 -7.502 0.924 1.00 0.00 N ATOM 960 CA TRP A 56 11.316 -7.471 -0.305 1.00 0.00 C ATOM 961 C TRP A 56 12.797 -7.578 0.099 1.00 0.00 C ATOM 962 O TRP A 56 13.113 -8.014 1.189 1.00 0.00 O ATOM 963 CB TRP A 56 11.038 -6.172 -1.100 1.00 0.00 C ATOM 964 CG TRP A 56 10.611 -5.062 -0.186 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.370 -4.912 0.329 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.392 -3.939 0.301 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.337 -3.768 1.107 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.565 -3.130 1.119 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.727 -3.549 0.113 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.052 -1.971 1.725 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.218 -2.388 0.719 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.384 -1.597 1.522 1.00 0.00 C ATOM 0 H TRP A 56 10.026 -6.616 1.164 1.00 0.00 H new ATOM 0 HA TRP A 56 11.072 -8.315 -0.951 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.935 -5.875 -1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.261 -6.355 -1.843 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.537 -5.579 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.512 -3.437 1.608 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.379 -4.149 -0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.406 -1.368 2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.247 -2.099 0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.770 -0.700 1.983 1.00 0.00 H new ATOM 983 N SER A 57 13.709 -7.219 -0.777 1.00 0.00 N ATOM 984 CA SER A 57 15.172 -7.336 -0.453 1.00 0.00 C ATOM 985 C SER A 57 15.934 -6.135 -1.049 1.00 0.00 C ATOM 986 O SER A 57 15.354 -5.303 -1.719 1.00 0.00 O ATOM 987 CB SER A 57 15.690 -8.660 -1.057 1.00 0.00 C ATOM 988 OG SER A 57 16.533 -8.392 -2.174 1.00 0.00 O ATOM 0 H SER A 57 13.503 -6.849 -1.705 1.00 0.00 H new ATOM 0 HA SER A 57 15.328 -7.335 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.241 -9.222 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.849 -9.281 -1.367 1.00 0.00 H new ATOM 0 HG SER A 57 16.858 -9.237 -2.549 1.00 0.00 H new ATOM 994 N PRO A 58 17.229 -6.046 -0.812 1.00 0.00 N ATOM 995 CA PRO A 58 18.075 -4.928 -1.339 1.00 0.00 C ATOM 996 C PRO A 58 17.825 -4.646 -2.828 1.00 0.00 C ATOM 997 O PRO A 58 18.220 -3.622 -3.352 1.00 0.00 O ATOM 998 CB PRO A 58 19.507 -5.427 -1.102 1.00 0.00 C ATOM 999 CG PRO A 58 19.393 -6.278 0.118 1.00 0.00 C ATOM 1000 CD PRO A 58 18.043 -6.991 -0.012 1.00 0.00 C ATOM 0 HA PRO A 58 17.856 -3.981 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.877 -5.997 -1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.198 -4.599 -0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.212 -6.994 0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.433 -5.674 1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.144 -7.955 -0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.594 -7.182 0.963 1.00 0.00 H new ATOM 1008 N GLU A 59 17.175 -5.547 -3.507 1.00 0.00 N ATOM 1009 CA GLU A 59 16.897 -5.348 -4.946 1.00 0.00 C ATOM 1010 C GLU A 59 15.820 -4.287 -5.081 1.00 0.00 C ATOM 1011 O GLU A 59 15.925 -3.391 -5.889 1.00 0.00 O ATOM 1012 CB GLU A 59 16.407 -6.660 -5.563 1.00 0.00 C ATOM 1013 CG GLU A 59 17.476 -7.740 -5.381 1.00 0.00 C ATOM 1014 CD GLU A 59 18.707 -7.386 -6.216 1.00 0.00 C ATOM 1015 OE1 GLU A 59 18.531 -6.841 -7.293 1.00 0.00 O ATOM 1016 OE2 GLU A 59 19.806 -7.667 -5.766 1.00 0.00 O ATOM 0 H GLU A 59 16.822 -6.421 -3.118 1.00 0.00 H new ATOM 0 HA GLU A 59 17.803 -5.033 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.476 -6.971 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.194 -6.519 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.749 -7.823 -4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.083 -8.710 -5.686 1.00 0.00 H new ATOM 1023 N GLU A 60 14.790 -4.359 -4.276 1.00 0.00 N ATOM 1024 CA GLU A 60 13.731 -3.323 -4.362 1.00 0.00 C ATOM 1025 C GLU A 60 14.234 -2.082 -3.634 1.00 0.00 C ATOM 1026 O GLU A 60 13.793 -0.990 -3.888 1.00 0.00 O ATOM 1027 CB GLU A 60 12.440 -3.829 -3.721 1.00 0.00 C ATOM 1028 CG GLU A 60 12.116 -5.232 -4.245 1.00 0.00 C ATOM 1029 CD GLU A 60 12.040 -5.209 -5.774 1.00 0.00 C ATOM 1030 OE1 GLU A 60 13.087 -5.206 -6.399 1.00 0.00 O ATOM 1031 OE2 GLU A 60 10.935 -5.195 -6.293 1.00 0.00 O ATOM 0 H GLU A 60 14.642 -5.083 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 60 13.514 -3.088 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.546 -3.851 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.620 -3.148 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.881 -5.937 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.169 -5.576 -3.830 1.00 0.00 H new ATOM 1038 N ASP A 61 15.178 -2.240 -2.744 1.00 0.00 N ATOM 1039 CA ASP A 61 15.723 -1.052 -2.030 1.00 0.00 C ATOM 1040 C ASP A 61 16.406 -0.157 -3.061 1.00 0.00 C ATOM 1041 O ASP A 61 16.077 1.003 -3.216 1.00 0.00 O ATOM 1042 CB ASP A 61 16.749 -1.496 -0.981 1.00 0.00 C ATOM 1043 CG ASP A 61 17.058 -0.331 -0.037 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.177 0.040 0.722 1.00 0.00 O ATOM 1045 OD2 ASP A 61 18.169 0.172 -0.090 1.00 0.00 O ATOM 0 H ASP A 61 15.592 -3.135 -2.483 1.00 0.00 H new ATOM 0 HA ASP A 61 14.919 -0.515 -1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.361 -2.343 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.663 -1.832 -1.471 1.00 0.00 H new ATOM 1050 N MET A 62 17.353 -0.700 -3.778 1.00 0.00 N ATOM 1051 CA MET A 62 18.058 0.097 -4.811 1.00 0.00 C ATOM 1052 C MET A 62 17.051 0.518 -5.880 1.00 0.00 C ATOM 1053 O MET A 62 17.116 1.610 -6.410 1.00 0.00 O ATOM 1054 CB MET A 62 19.159 -0.751 -5.451 1.00 0.00 C ATOM 1055 CG MET A 62 20.202 -1.117 -4.393 1.00 0.00 C ATOM 1056 SD MET A 62 21.124 0.365 -3.918 1.00 0.00 S ATOM 1057 CE MET A 62 21.626 -0.197 -2.272 1.00 0.00 C ATOM 0 H MET A 62 17.667 -1.666 -3.689 1.00 0.00 H new ATOM 0 HA MET A 62 18.507 0.980 -4.355 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.731 -1.656 -5.883 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.630 -0.200 -6.266 1.00 0.00 H new ATOM 0 HG2 MET A 62 19.714 -1.550 -3.520 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.883 -1.872 -4.785 1.00 0.00 H new ATOM 0 HE1 MET A 62 22.219 0.579 -1.788 1.00 0.00 H new ATOM 0 HE2 MET A 62 20.740 -0.404 -1.672 1.00 0.00 H new ATOM 0 HE3 MET A 62 22.222 -1.105 -2.364 1.00 0.00 H new ATOM 1067 N LEU A 63 16.110 -0.336 -6.197 1.00 0.00 N ATOM 1068 CA LEU A 63 15.094 0.038 -7.230 1.00 0.00 C ATOM 1069 C LEU A 63 14.114 1.039 -6.600 1.00 0.00 C ATOM 1070 O LEU A 63 13.562 1.897 -7.260 1.00 0.00 O ATOM 1071 CB LEU A 63 14.350 -1.235 -7.702 1.00 0.00 C ATOM 1072 CG LEU A 63 13.918 -1.111 -9.174 1.00 0.00 C ATOM 1073 CD1 LEU A 63 13.092 -2.343 -9.558 1.00 0.00 C ATOM 1074 CD2 LEU A 63 13.077 0.159 -9.379 1.00 0.00 C ATOM 0 H LEU A 63 16.001 -1.265 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 63 15.572 0.496 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.997 -2.104 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.474 -1.401 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 63 14.805 -1.047 -9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.782 -2.263 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.696 -3.241 -9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.210 -2.403 -8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.779 0.233 -10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.188 0.112 -8.751 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.667 1.034 -9.107 1.00 0.00 H new ATOM 1086 N LEU A 64 13.910 0.937 -5.317 1.00 0.00 N ATOM 1087 CA LEU A 64 12.985 1.873 -4.622 1.00 0.00 C ATOM 1088 C LEU A 64 13.658 3.241 -4.540 1.00 0.00 C ATOM 1089 O LEU A 64 13.033 4.258 -4.722 1.00 0.00 O ATOM 1090 CB LEU A 64 12.686 1.337 -3.211 1.00 0.00 C ATOM 1091 CG LEU A 64 11.943 2.379 -2.361 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.665 2.833 -3.086 1.00 0.00 C ATOM 1093 CD2 LEU A 64 11.576 1.745 -1.009 1.00 0.00 C ATOM 0 H LEU A 64 14.348 0.239 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 64 12.045 1.961 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.086 0.430 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.619 1.063 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 64 12.583 3.247 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.144 3.572 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.929 3.276 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.015 1.974 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.048 2.475 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.935 0.879 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.485 1.430 -0.496 1.00 0.00 H new ATOM 1105 N ASP A 65 14.936 3.275 -4.279 1.00 0.00 N ATOM 1106 CA ASP A 65 15.643 4.588 -4.201 1.00 0.00 C ATOM 1107 C ASP A 65 15.300 5.413 -5.444 1.00 0.00 C ATOM 1108 O ASP A 65 15.247 6.626 -5.406 1.00 0.00 O ATOM 1109 CB ASP A 65 17.153 4.351 -4.149 1.00 0.00 C ATOM 1110 CG ASP A 65 17.529 3.747 -2.794 1.00 0.00 C ATOM 1111 OD1 ASP A 65 16.914 4.121 -1.809 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.427 2.921 -2.765 1.00 0.00 O ATOM 0 H ASP A 65 15.521 2.455 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 65 15.330 5.123 -3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.454 3.681 -4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.685 5.290 -4.300 1.00 0.00 H new ATOM 1117 N GLN A 66 15.059 4.752 -6.544 1.00 0.00 N ATOM 1118 CA GLN A 66 14.709 5.480 -7.799 1.00 0.00 C ATOM 1119 C GLN A 66 13.237 5.902 -7.764 1.00 0.00 C ATOM 1120 O GLN A 66 12.897 7.024 -8.081 1.00 0.00 O ATOM 1121 CB GLN A 66 14.947 4.564 -9.001 1.00 0.00 C ATOM 1122 CG GLN A 66 16.399 4.082 -8.996 1.00 0.00 C ATOM 1123 CD GLN A 66 16.602 3.057 -10.113 1.00 0.00 C ATOM 1124 OE1 GLN A 66 15.652 2.491 -10.614 1.00 0.00 O ATOM 1125 NE2 GLN A 66 17.811 2.795 -10.530 1.00 0.00 N ATOM 0 H GLN A 66 15.089 3.736 -6.628 1.00 0.00 H new ATOM 0 HA GLN A 66 15.335 6.369 -7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.269 3.711 -8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.733 5.098 -9.927 1.00 0.00 H new ATOM 0 HG2 GLN A 66 17.074 4.926 -9.136 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.642 3.637 -8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.610 3.270 -10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.957 2.115 -11.276 1.00 0.00 H new ATOM 1134 N LYS A 67 12.358 5.010 -7.388 1.00 0.00 N ATOM 1135 CA LYS A 67 10.910 5.368 -7.344 1.00 0.00 C ATOM 1136 C LYS A 67 10.655 6.319 -6.173 1.00 0.00 C ATOM 1137 O LYS A 67 10.127 7.399 -6.341 1.00 0.00 O ATOM 1138 CB LYS A 67 10.079 4.096 -7.161 1.00 0.00 C ATOM 1139 CG LYS A 67 10.132 3.261 -8.443 1.00 0.00 C ATOM 1140 CD LYS A 67 9.222 2.040 -8.295 1.00 0.00 C ATOM 1141 CE LYS A 67 9.337 1.163 -9.543 1.00 0.00 C ATOM 1142 NZ LYS A 67 8.917 1.944 -10.740 1.00 0.00 N ATOM 0 H LYS A 67 12.579 4.054 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 67 10.626 5.857 -8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.462 3.516 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.047 4.354 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.815 3.863 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.156 2.943 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.503 1.469 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.189 2.358 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.363 0.817 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.712 0.277 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.086 1.494 -11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.676 2.914 -10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.696 1.970 -11.429 1.00 0.00 H new ATOM 1156 N TYR A 68 11.041 5.932 -4.990 1.00 0.00 N ATOM 1157 CA TYR A 68 10.841 6.810 -3.799 1.00 0.00 C ATOM 1158 C TYR A 68 11.368 8.214 -4.126 1.00 0.00 C ATOM 1159 O TYR A 68 10.756 9.213 -3.808 1.00 0.00 O ATOM 1160 CB TYR A 68 11.611 6.204 -2.604 1.00 0.00 C ATOM 1161 CG TYR A 68 11.913 7.257 -1.554 1.00 0.00 C ATOM 1162 CD1 TYR A 68 13.008 8.110 -1.726 1.00 0.00 C ATOM 1163 CD2 TYR A 68 11.102 7.378 -0.419 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.296 9.085 -0.764 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.389 8.353 0.543 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.486 9.206 0.370 1.00 0.00 C ATOM 1167 OH TYR A 68 12.769 10.168 1.319 1.00 0.00 O ATOM 0 H TYR A 68 11.491 5.038 -4.793 1.00 0.00 H new ATOM 0 HA TYR A 68 9.784 6.881 -3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.023 5.401 -2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.542 5.760 -2.956 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.632 8.016 -2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.256 6.720 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 68 14.142 9.743 -0.897 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.764 8.448 1.419 1.00 0.00 H new ATOM 0 HH TYR A 68 12.109 10.118 2.042 1.00 0.00 H new ATOM 1177 N ALA A 69 12.498 8.286 -4.764 1.00 0.00 N ATOM 1178 CA ALA A 69 13.074 9.609 -5.120 1.00 0.00 C ATOM 1179 C ALA A 69 12.020 10.431 -5.866 1.00 0.00 C ATOM 1180 O ALA A 69 11.930 11.633 -5.715 1.00 0.00 O ATOM 1181 CB ALA A 69 14.295 9.388 -6.020 1.00 0.00 C ATOM 0 H ALA A 69 13.052 7.481 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 69 13.375 10.145 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.728 10.352 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.037 8.793 -5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.990 8.862 -6.925 1.00 0.00 H new ATOM 1187 N GLU A 70 11.221 9.780 -6.668 1.00 0.00 N ATOM 1188 CA GLU A 70 10.160 10.491 -7.438 1.00 0.00 C ATOM 1189 C GLU A 70 8.843 10.463 -6.654 1.00 0.00 C ATOM 1190 O GLU A 70 8.237 11.485 -6.399 1.00 0.00 O ATOM 1191 CB GLU A 70 9.970 9.774 -8.778 1.00 0.00 C ATOM 1192 CG GLU A 70 11.159 10.075 -9.696 1.00 0.00 C ATOM 1193 CD GLU A 70 11.017 9.277 -10.993 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.225 8.350 -11.011 1.00 0.00 O ATOM 1195 OE2 GLU A 70 11.703 9.607 -11.946 1.00 0.00 O ATOM 0 H GLU A 70 11.259 8.773 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 70 10.453 11.528 -7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.884 8.699 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.043 10.101 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.201 11.142 -9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.092 9.815 -9.197 1.00 0.00 H new ATOM 1202 N TYR A 71 8.382 9.292 -6.301 1.00 0.00 N ATOM 1203 CA TYR A 71 7.088 9.173 -5.569 1.00 0.00 C ATOM 1204 C TYR A 71 7.261 9.489 -4.080 1.00 0.00 C ATOM 1205 O TYR A 71 6.443 10.165 -3.489 1.00 0.00 O ATOM 1206 CB TYR A 71 6.558 7.750 -5.741 1.00 0.00 C ATOM 1207 CG TYR A 71 6.333 7.474 -7.210 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.136 7.872 -7.818 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.317 6.825 -7.966 1.00 0.00 C ATOM 1210 CE1 TYR A 71 4.924 7.620 -9.179 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.105 6.572 -9.326 1.00 0.00 C ATOM 1212 CZ TYR A 71 5.907 6.971 -9.933 1.00 0.00 C ATOM 1213 OH TYR A 71 5.698 6.722 -11.274 1.00 0.00 O ATOM 0 H TYR A 71 8.851 8.406 -6.490 1.00 0.00 H new ATOM 0 HA TYR A 71 6.381 9.893 -5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.268 7.033 -5.329 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.626 7.628 -5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.376 8.373 -7.237 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.241 6.519 -7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.000 7.927 -9.647 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.864 6.070 -9.907 1.00 0.00 H new ATOM 0 HH TYR A 71 6.480 6.265 -11.648 1.00 0.00 H new ATOM 1223 N GLY A 72 8.302 9.006 -3.458 1.00 0.00 N ATOM 1224 CA GLY A 72 8.499 9.285 -1.999 1.00 0.00 C ATOM 1225 C GLY A 72 7.793 8.197 -1.185 1.00 0.00 C ATOM 1226 O GLY A 72 7.499 7.133 -1.694 1.00 0.00 O ATOM 0 H GLY A 72 9.025 8.432 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.562 9.305 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.097 10.266 -1.745 1.00 0.00 H new ATOM 1230 N PRO A 73 7.521 8.449 0.073 1.00 0.00 N ATOM 1231 CA PRO A 73 6.840 7.457 0.958 1.00 0.00 C ATOM 1232 C PRO A 73 5.431 7.089 0.464 1.00 0.00 C ATOM 1233 O PRO A 73 4.600 6.642 1.228 1.00 0.00 O ATOM 1234 CB PRO A 73 6.780 8.152 2.340 1.00 0.00 C ATOM 1235 CG PRO A 73 7.786 9.264 2.265 1.00 0.00 C ATOM 1236 CD PRO A 73 7.834 9.692 0.796 1.00 0.00 C ATOM 0 HA PRO A 73 7.381 6.511 0.981 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.781 8.538 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.022 7.455 3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.495 10.097 2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.765 8.928 2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.108 10.476 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.815 10.081 0.522 1.00 0.00 H new ATOM 1244 N LYS A 74 5.154 7.262 -0.802 1.00 0.00 N ATOM 1245 CA LYS A 74 3.802 6.907 -1.321 1.00 0.00 C ATOM 1246 C LYS A 74 3.772 5.410 -1.616 1.00 0.00 C ATOM 1247 O LYS A 74 3.676 4.990 -2.752 1.00 0.00 O ATOM 1248 CB LYS A 74 3.535 7.689 -2.605 1.00 0.00 C ATOM 1249 CG LYS A 74 3.249 9.155 -2.268 1.00 0.00 C ATOM 1250 CD LYS A 74 3.077 9.952 -3.562 1.00 0.00 C ATOM 1251 CE LYS A 74 2.613 11.372 -3.231 1.00 0.00 C ATOM 1252 NZ LYS A 74 1.232 11.324 -2.673 1.00 0.00 N ATOM 0 H LYS A 74 5.803 7.632 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 74 3.038 7.155 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.396 7.620 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.687 7.256 -3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.348 9.230 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.067 9.570 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.019 9.984 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.349 9.462 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.292 11.830 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.633 11.991 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.765 12.241 -2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.690 10.576 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.276 11.121 -1.654 1.00 0.00 H new ATOM 1266 N TRP A 75 3.867 4.603 -0.599 1.00 0.00 N ATOM 1267 CA TRP A 75 3.860 3.133 -0.801 1.00 0.00 C ATOM 1268 C TRP A 75 2.631 2.727 -1.621 1.00 0.00 C ATOM 1269 O TRP A 75 2.498 1.595 -2.041 1.00 0.00 O ATOM 1270 CB TRP A 75 3.841 2.442 0.568 1.00 0.00 C ATOM 1271 CG TRP A 75 4.706 3.202 1.532 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.274 3.735 2.697 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.127 3.534 1.438 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.338 4.342 3.338 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.497 4.251 2.602 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.124 3.282 0.477 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.804 4.698 2.805 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.437 3.735 0.677 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.777 4.439 1.839 1.00 0.00 C ATOM 0 H TRP A 75 3.950 4.904 0.372 1.00 0.00 H new ATOM 0 HA TRP A 75 4.754 2.829 -1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.820 2.389 0.945 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.199 1.417 0.473 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.260 3.693 3.067 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.272 4.801 4.246 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.877 2.736 -0.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.060 5.240 3.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.191 3.539 -0.071 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.791 4.781 1.987 1.00 0.00 H new ATOM 1290 N ASN A 76 1.742 3.645 -1.857 1.00 0.00 N ATOM 1291 CA ASN A 76 0.529 3.321 -2.656 1.00 0.00 C ATOM 1292 C ASN A 76 0.943 3.141 -4.115 1.00 0.00 C ATOM 1293 O ASN A 76 0.413 2.311 -4.825 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.480 4.465 -2.546 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.784 4.065 -3.239 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -2.025 2.898 -3.478 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -2.642 4.989 -3.575 1.00 0.00 N ATOM 0 H ASN A 76 1.801 4.610 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 76 0.069 2.406 -2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.669 4.697 -1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.074 5.367 -3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.514 4.731 -4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.441 5.969 -3.375 1.00 0.00 H new ATOM 1304 N LYS A 77 1.902 3.908 -4.559 1.00 0.00 N ATOM 1305 CA LYS A 77 2.378 3.786 -5.966 1.00 0.00 C ATOM 1306 C LYS A 77 3.424 2.679 -6.025 1.00 0.00 C ATOM 1307 O LYS A 77 3.503 1.930 -6.977 1.00 0.00 O ATOM 1308 CB LYS A 77 3.020 5.105 -6.403 1.00 0.00 C ATOM 1309 CG LYS A 77 2.012 6.263 -6.277 1.00 0.00 C ATOM 1310 CD LYS A 77 1.019 6.249 -7.449 1.00 0.00 C ATOM 1311 CE LYS A 77 0.203 7.543 -7.440 1.00 0.00 C ATOM 1312 NZ LYS A 77 -0.723 7.554 -8.607 1.00 0.00 N ATOM 0 H LYS A 77 2.379 4.618 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 77 1.541 3.555 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.897 5.310 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.364 5.025 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.471 6.180 -5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.544 7.214 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.555 6.151 -8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.356 5.388 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.363 7.622 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.868 8.405 -7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.278 8.433 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.172 7.498 -9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.366 6.739 -8.548 1.00 0.00 H new ATOM 1326 N ILE A 78 4.230 2.573 -5.007 1.00 0.00 N ATOM 1327 CA ILE A 78 5.276 1.519 -4.991 1.00 0.00 C ATOM 1328 C ILE A 78 4.605 0.148 -4.897 1.00 0.00 C ATOM 1329 O ILE A 78 4.848 -0.726 -5.697 1.00 0.00 O ATOM 1330 CB ILE A 78 6.187 1.738 -3.776 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.520 3.231 -3.636 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.482 0.938 -3.943 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.028 3.797 -4.969 1.00 0.00 C ATOM 0 H ILE A 78 4.208 3.174 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 78 5.871 1.567 -5.903 1.00 0.00 H new ATOM 0 HB ILE A 78 5.668 1.398 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.634 3.779 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.276 3.370 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.123 1.099 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.246 -0.123 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.000 1.268 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.259 4.856 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.927 3.261 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.259 3.677 -5.732 1.00 0.00 H new ATOM 1345 N SER A 79 3.760 -0.042 -3.924 1.00 0.00 N ATOM 1346 CA SER A 79 3.069 -1.359 -3.777 1.00 0.00 C ATOM 1347 C SER A 79 2.458 -1.802 -5.110 1.00 0.00 C ATOM 1348 O SER A 79 2.239 -2.975 -5.337 1.00 0.00 O ATOM 1349 CB SER A 79 1.968 -1.245 -2.723 1.00 0.00 C ATOM 1350 OG SER A 79 1.498 -2.545 -2.395 1.00 0.00 O ATOM 0 H SER A 79 3.516 0.656 -3.222 1.00 0.00 H new ATOM 0 HA SER A 79 3.802 -2.103 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.351 -0.748 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.148 -0.634 -3.101 1.00 0.00 H new ATOM 0 HG SER A 79 1.174 -2.990 -3.206 1.00 0.00 H new ATOM 1356 N LYS A 80 2.173 -0.883 -5.990 1.00 0.00 N ATOM 1357 CA LYS A 80 1.571 -1.269 -7.298 1.00 0.00 C ATOM 1358 C LYS A 80 2.661 -1.839 -8.199 1.00 0.00 C ATOM 1359 O LYS A 80 2.390 -2.537 -9.156 1.00 0.00 O ATOM 1360 CB LYS A 80 0.941 -0.039 -7.965 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.361 0.325 -7.245 1.00 0.00 C ATOM 1362 CD LYS A 80 -0.921 1.642 -7.805 1.00 0.00 C ATOM 1363 CE LYS A 80 -1.423 1.448 -9.246 1.00 0.00 C ATOM 1364 NZ LYS A 80 -2.348 2.563 -9.596 1.00 0.00 N ATOM 0 H LYS A 80 2.330 0.117 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 80 0.797 -2.019 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.635 0.801 -7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.742 -0.245 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.092 -0.474 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.179 0.423 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.737 1.994 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.148 2.410 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.581 1.427 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.936 0.491 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.490 2.586 -10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.263 2.417 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.937 3.466 -9.283 1.00 0.00 H new ATOM 1378 N PHE A 81 3.898 -1.551 -7.897 1.00 0.00 N ATOM 1379 CA PHE A 81 5.015 -2.078 -8.728 1.00 0.00 C ATOM 1380 C PHE A 81 5.393 -3.455 -8.186 1.00 0.00 C ATOM 1381 O PHE A 81 6.074 -4.231 -8.825 1.00 0.00 O ATOM 1382 CB PHE A 81 6.212 -1.111 -8.627 1.00 0.00 C ATOM 1383 CG PHE A 81 6.079 -0.005 -9.660 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.350 -0.276 -11.006 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.686 1.284 -9.273 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.229 0.737 -11.964 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.565 2.297 -10.231 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.837 2.024 -11.576 1.00 0.00 C ATOM 0 H PHE A 81 4.183 -0.971 -7.108 1.00 0.00 H new ATOM 0 HA PHE A 81 4.723 -2.163 -9.775 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.258 -0.681 -7.627 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.143 -1.655 -8.784 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.653 -1.268 -11.306 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.476 1.495 -8.235 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.438 0.526 -13.002 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.262 3.289 -9.932 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.745 2.806 -12.315 1.00 0.00 H new ATOM 1398 N LEU A 82 4.947 -3.752 -6.995 1.00 0.00 N ATOM 1399 CA LEU A 82 5.252 -5.069 -6.359 1.00 0.00 C ATOM 1400 C LEU A 82 4.065 -6.009 -6.593 1.00 0.00 C ATOM 1401 O LEU A 82 4.194 -7.038 -7.224 1.00 0.00 O ATOM 1402 CB LEU A 82 5.457 -4.840 -4.852 1.00 0.00 C ATOM 1403 CG LEU A 82 6.866 -4.254 -4.564 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.241 -3.156 -5.570 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.890 -3.647 -3.155 1.00 0.00 C ATOM 0 H LEU A 82 4.375 -3.128 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 82 6.152 -5.512 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.693 -4.159 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.335 -5.782 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 82 7.585 -5.068 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.233 -2.771 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.242 -3.571 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.514 -2.346 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.879 -3.236 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.146 -2.853 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.662 -4.420 -2.422 1.00 0.00 H new ATOM 1417 N LYS A 83 2.910 -5.657 -6.089 1.00 0.00 N ATOM 1418 CA LYS A 83 1.707 -6.509 -6.278 1.00 0.00 C ATOM 1419 C LYS A 83 1.874 -7.772 -5.442 1.00 0.00 C ATOM 1420 O LYS A 83 1.089 -8.696 -5.527 1.00 0.00 O ATOM 1421 CB LYS A 83 1.558 -6.853 -7.775 1.00 0.00 C ATOM 1422 CG LYS A 83 0.076 -7.021 -8.154 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.058 -7.185 -9.677 1.00 0.00 C ATOM 1424 CE LYS A 83 0.369 -5.893 -10.409 1.00 0.00 C ATOM 1425 NZ LYS A 83 -0.374 -5.792 -11.696 1.00 0.00 N ATOM 0 H LYS A 83 2.752 -4.806 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 83 0.807 -5.985 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.005 -6.064 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.101 -7.772 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.342 -7.891 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.494 -6.154 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.558 -8.019 -10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.090 -7.428 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.162 -5.023 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.443 -5.904 -10.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.090 -4.924 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.155 -6.618 -12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.396 -5.764 -11.506 1.00 0.00 H new ATOM 1439 N ASN A 84 2.901 -7.803 -4.630 1.00 0.00 N ATOM 1440 CA ASN A 84 3.162 -8.985 -3.757 1.00 0.00 C ATOM 1441 C ASN A 84 3.211 -8.524 -2.300 1.00 0.00 C ATOM 1442 O ASN A 84 3.010 -9.304 -1.389 1.00 0.00 O ATOM 1443 CB ASN A 84 4.504 -9.616 -4.147 1.00 0.00 C ATOM 1444 CG ASN A 84 4.353 -10.362 -5.476 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.736 -11.509 -5.589 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.807 -9.753 -6.493 1.00 0.00 N ATOM 0 H ASN A 84 3.579 -7.047 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 84 2.369 -9.723 -3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.268 -8.844 -4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.835 -10.303 -3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.702 -10.240 -7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.485 -8.790 -6.398 1.00 0.00 H new ATOM 1453 N ARG A 85 3.472 -7.256 -2.076 1.00 0.00 N ATOM 1454 CA ARG A 85 3.535 -6.716 -0.675 1.00 0.00 C ATOM 1455 C ARG A 85 2.494 -5.617 -0.506 1.00 0.00 C ATOM 1456 O ARG A 85 1.877 -5.176 -1.456 1.00 0.00 O ATOM 1457 CB ARG A 85 4.927 -6.141 -0.415 1.00 0.00 C ATOM 1458 CG ARG A 85 5.995 -7.271 -0.418 1.00 0.00 C ATOM 1459 CD ARG A 85 6.616 -7.431 -1.817 1.00 0.00 C ATOM 1460 NE ARG A 85 7.208 -8.792 -1.942 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.995 -9.074 -2.945 1.00 0.00 C ATOM 1462 NH1 ARG A 85 8.264 -8.163 -3.840 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.513 -10.267 -3.052 1.00 0.00 N ATOM 0 H ARG A 85 3.645 -6.567 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 85 3.333 -7.519 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.170 -5.402 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.939 -5.624 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.776 -7.042 0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.538 -8.211 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.856 -7.281 -2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.383 -6.673 -1.976 1.00 0.00 H new ATOM 0 HE ARG A 85 6.998 -9.505 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.859 -7.230 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.879 -8.384 -4.623 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.303 -10.979 -2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.128 -10.488 -3.835 1.00 0.00 H new ATOM 1477 N SER A 86 2.300 -5.176 0.711 1.00 0.00 N ATOM 1478 CA SER A 86 1.308 -4.108 1.006 1.00 0.00 C ATOM 1479 C SER A 86 2.051 -2.906 1.551 1.00 0.00 C ATOM 1480 O SER A 86 3.186 -2.996 1.966 1.00 0.00 O ATOM 1481 CB SER A 86 0.319 -4.607 2.060 1.00 0.00 C ATOM 1482 OG SER A 86 -0.578 -5.528 1.457 1.00 0.00 O ATOM 0 H SER A 86 2.802 -5.522 1.529 1.00 0.00 H new ATOM 0 HA SER A 86 0.764 -3.841 0.100 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.854 -5.085 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.233 -3.768 2.485 1.00 0.00 H new ATOM 0 HG SER A 86 -0.326 -5.664 0.520 1.00 0.00 H new ATOM 1488 N ASP A 87 1.417 -1.789 1.560 1.00 0.00 N ATOM 1489 CA ASP A 87 2.080 -0.572 2.076 1.00 0.00 C ATOM 1490 C ASP A 87 2.495 -0.808 3.526 1.00 0.00 C ATOM 1491 O ASP A 87 3.552 -0.396 3.959 1.00 0.00 O ATOM 1492 CB ASP A 87 1.111 0.609 1.992 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.254 0.187 2.540 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.772 -0.816 2.077 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -0.757 0.873 3.414 1.00 0.00 O ATOM 0 H ASP A 87 0.460 -1.658 1.231 1.00 0.00 H new ATOM 0 HA ASP A 87 2.964 -0.347 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.499 1.453 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.013 0.941 0.958 1.00 0.00 H new ATOM 1500 N ASN A 88 1.670 -1.479 4.273 1.00 0.00 N ATOM 1501 CA ASN A 88 2.013 -1.758 5.693 1.00 0.00 C ATOM 1502 C ASN A 88 3.320 -2.552 5.747 1.00 0.00 C ATOM 1503 O ASN A 88 4.072 -2.459 6.696 1.00 0.00 O ATOM 1504 CB ASN A 88 0.889 -2.572 6.342 1.00 0.00 C ATOM 1505 CG ASN A 88 -0.332 -1.676 6.564 1.00 0.00 C ATOM 1506 OD1 ASN A 88 -0.780 -1.005 5.656 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -0.890 -1.636 7.744 1.00 0.00 N ATOM 0 H ASN A 88 0.771 -1.848 3.963 1.00 0.00 H new ATOM 0 HA ASN A 88 2.133 -0.819 6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.623 -3.415 5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.227 -2.985 7.292 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.703 -1.041 7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.513 -2.200 8.506 1.00 0.00 H new ATOM 1514 N ASN A 89 3.602 -3.330 4.732 1.00 0.00 N ATOM 1515 CA ASN A 89 4.860 -4.120 4.721 1.00 0.00 C ATOM 1516 C ASN A 89 5.994 -3.221 4.226 1.00 0.00 C ATOM 1517 O ASN A 89 7.092 -3.230 4.745 1.00 0.00 O ATOM 1518 CB ASN A 89 4.667 -5.301 3.763 1.00 0.00 C ATOM 1519 CG ASN A 89 5.710 -6.386 4.038 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.066 -6.631 5.173 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.214 -7.055 3.037 1.00 0.00 N ATOM 0 H ASN A 89 3.010 -3.449 3.910 1.00 0.00 H new ATOM 0 HA ASN A 89 5.105 -4.489 5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.665 -5.713 3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.752 -4.959 2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.907 -7.784 3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.915 -6.849 2.084 1.00 0.00 H new ATOM 1528 N ILE A 90 5.718 -2.442 3.218 1.00 0.00 N ATOM 1529 CA ILE A 90 6.750 -1.527 2.660 1.00 0.00 C ATOM 1530 C ILE A 90 7.052 -0.433 3.678 1.00 0.00 C ATOM 1531 O ILE A 90 8.177 -0.252 4.100 1.00 0.00 O ATOM 1532 CB ILE A 90 6.205 -0.903 1.373 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.845 -2.020 0.389 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.263 0.007 0.745 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.074 -1.454 -0.805 1.00 0.00 C ATOM 0 H ILE A 90 4.811 -2.400 2.753 1.00 0.00 H new ATOM 0 HA ILE A 90 7.666 -2.076 2.443 1.00 0.00 H new ATOM 0 HB ILE A 90 5.319 -0.312 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.753 -2.514 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.243 -2.776 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.867 0.447 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.523 0.800 1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.153 -0.577 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.826 -2.261 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.156 -0.982 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.689 -0.715 -1.318 1.00 0.00 H new ATOM 1547 N ARG A 91 6.048 0.289 4.087 1.00 0.00 N ATOM 1548 CA ARG A 91 6.253 1.368 5.096 1.00 0.00 C ATOM 1549 C ARG A 91 7.005 0.787 6.291 1.00 0.00 C ATOM 1550 O ARG A 91 7.771 1.458 6.952 1.00 0.00 O ATOM 1551 CB ARG A 91 4.885 1.878 5.561 1.00 0.00 C ATOM 1552 CG ARG A 91 5.055 3.126 6.439 1.00 0.00 C ATOM 1553 CD ARG A 91 3.744 3.417 7.173 1.00 0.00 C ATOM 1554 NE ARG A 91 3.812 4.770 7.795 1.00 0.00 N ATOM 1555 CZ ARG A 91 4.583 4.976 8.828 1.00 0.00 C ATOM 1556 NH1 ARG A 91 5.294 3.997 9.317 1.00 0.00 N ATOM 1557 NH2 ARG A 91 4.642 6.160 9.372 1.00 0.00 N ATOM 0 H ARG A 91 5.087 0.178 3.764 1.00 0.00 H new ATOM 0 HA ARG A 91 6.825 2.188 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.264 2.114 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.369 1.098 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.860 2.971 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.337 3.981 5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.906 3.367 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.568 2.661 7.939 1.00 0.00 H new ATOM 0 HE ARG A 91 3.256 5.535 7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.247 3.071 8.892 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.896 4.158 10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.086 6.925 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.244 6.321 10.179 1.00 0.00 H new ATOM 1571 N ASN A 92 6.764 -0.459 6.577 1.00 0.00 N ATOM 1572 CA ASN A 92 7.431 -1.117 7.738 1.00 0.00 C ATOM 1573 C ASN A 92 8.844 -1.563 7.361 1.00 0.00 C ATOM 1574 O ASN A 92 9.767 -1.434 8.140 1.00 0.00 O ATOM 1575 CB ASN A 92 6.611 -2.338 8.161 1.00 0.00 C ATOM 1576 CG ASN A 92 7.295 -3.030 9.342 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.975 -2.396 10.123 1.00 0.00 O ATOM 1578 ND2 ASN A 92 7.141 -4.316 9.506 1.00 0.00 N ATOM 0 H ASN A 92 6.127 -1.058 6.052 1.00 0.00 H new ATOM 0 HA ASN A 92 7.496 -0.404 8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.602 -2.033 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.515 -3.032 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.592 -4.788 10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.570 -4.849 8.850 1.00 0.00 H new ATOM 1585 N ARG A 93 9.028 -2.105 6.186 1.00 0.00 N ATOM 1586 CA ARG A 93 10.395 -2.568 5.797 1.00 0.00 C ATOM 1587 C ARG A 93 11.269 -1.343 5.494 1.00 0.00 C ATOM 1588 O ARG A 93 12.410 -1.269 5.903 1.00 0.00 O ATOM 1589 CB ARG A 93 10.297 -3.491 4.554 1.00 0.00 C ATOM 1590 CG ARG A 93 10.181 -4.974 4.971 1.00 0.00 C ATOM 1591 CD ARG A 93 8.813 -5.251 5.617 1.00 0.00 C ATOM 1592 NE ARG A 93 8.903 -6.477 6.459 1.00 0.00 N ATOM 1593 CZ ARG A 93 7.941 -6.772 7.291 1.00 0.00 C ATOM 1594 NH1 ARG A 93 6.899 -5.991 7.387 1.00 0.00 N ATOM 1595 NH2 ARG A 93 8.021 -7.846 8.027 1.00 0.00 N ATOM 0 H ARG A 93 8.301 -2.247 5.485 1.00 0.00 H new ATOM 0 HA ARG A 93 10.846 -3.134 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.431 -3.209 3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.177 -3.354 3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.313 -5.614 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.977 -5.223 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.507 -4.400 6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.054 -5.381 4.846 1.00 0.00 H new ATOM 0 HE ARG A 93 9.717 -7.087 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.837 -5.151 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.147 -6.221 8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.835 -8.456 7.953 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.269 -8.076 8.677 1.00 0.00 H new ATOM 1609 N TRP A 94 10.742 -0.384 4.789 1.00 0.00 N ATOM 1610 CA TRP A 94 11.543 0.830 4.473 1.00 0.00 C ATOM 1611 C TRP A 94 11.867 1.571 5.769 1.00 0.00 C ATOM 1612 O TRP A 94 12.933 2.128 5.925 1.00 0.00 O ATOM 1613 CB TRP A 94 10.745 1.747 3.546 1.00 0.00 C ATOM 1614 CG TRP A 94 11.558 2.962 3.229 1.00 0.00 C ATOM 1615 CD1 TRP A 94 12.474 3.047 2.237 1.00 0.00 C ATOM 1616 CD2 TRP A 94 11.546 4.261 3.889 1.00 0.00 C ATOM 1617 NE1 TRP A 94 13.024 4.316 2.245 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.484 5.102 3.244 1.00 0.00 C ATOM 1619 CE3 TRP A 94 10.819 4.788 4.971 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 12.695 6.417 3.660 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 11.028 6.111 5.392 1.00 0.00 C ATOM 1622 CH2 TRP A 94 11.963 6.924 4.738 1.00 0.00 C ATOM 0 H TRP A 94 9.792 -0.387 4.418 1.00 0.00 H new ATOM 0 HA TRP A 94 12.468 0.536 3.977 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.487 1.219 2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.808 2.037 4.021 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.733 2.254 1.551 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.741 4.633 1.593 1.00 0.00 H new ATOM 0 HE3 TRP A 94 10.095 4.171 5.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.418 7.039 3.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 10.465 6.504 6.225 1.00 0.00 H new ATOM 0 HH2 TRP A 94 12.118 7.941 5.066 1.00 0.00 H new ATOM 1633 N MET A 95 10.956 1.578 6.704 1.00 0.00 N ATOM 1634 CA MET A 95 11.216 2.283 7.990 1.00 0.00 C ATOM 1635 C MET A 95 12.254 1.500 8.797 1.00 0.00 C ATOM 1636 O MET A 95 13.036 2.065 9.535 1.00 0.00 O ATOM 1637 CB MET A 95 9.916 2.384 8.791 1.00 0.00 C ATOM 1638 CG MET A 95 10.180 3.130 10.100 1.00 0.00 C ATOM 1639 SD MET A 95 8.605 3.502 10.910 1.00 0.00 S ATOM 1640 CE MET A 95 9.162 4.952 11.840 1.00 0.00 C ATOM 0 H MET A 95 10.044 1.126 6.632 1.00 0.00 H new ATOM 0 HA MET A 95 11.593 3.285 7.786 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.157 2.907 8.209 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.527 1.388 9.000 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.805 2.524 10.757 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.726 4.052 9.902 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.332 5.351 12.423 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.972 4.665 12.511 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.518 5.714 11.147 1.00 0.00 H new ATOM 1650 N MET A 96 12.273 0.201 8.656 1.00 0.00 N ATOM 1651 CA MET A 96 13.265 -0.621 9.405 1.00 0.00 C ATOM 1652 C MET A 96 14.603 -0.551 8.677 1.00 0.00 C ATOM 1653 O MET A 96 15.656 -0.569 9.283 1.00 0.00 O ATOM 1654 CB MET A 96 12.780 -2.077 9.463 1.00 0.00 C ATOM 1655 CG MET A 96 13.717 -2.921 10.344 1.00 0.00 C ATOM 1656 SD MET A 96 15.190 -3.385 9.396 1.00 0.00 S ATOM 1657 CE MET A 96 14.521 -4.893 8.649 1.00 0.00 C ATOM 0 H MET A 96 11.642 -0.326 8.053 1.00 0.00 H new ATOM 0 HA MET A 96 13.377 -0.243 10.421 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.766 -2.113 9.861 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.743 -2.495 8.457 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.006 -2.356 11.230 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.199 -3.815 10.691 1.00 0.00 H new ATOM 0 HE1 MET A 96 15.278 -5.350 8.012 1.00 0.00 H new ATOM 0 HE2 MET A 96 14.237 -5.593 9.435 1.00 0.00 H new ATOM 0 HE3 MET A 96 13.645 -4.645 8.050 1.00 0.00 H new ATOM 1667 N ILE A 97 14.567 -0.465 7.373 1.00 0.00 N ATOM 1668 CA ILE A 97 15.829 -0.387 6.589 1.00 0.00 C ATOM 1669 C ILE A 97 16.297 1.067 6.546 1.00 0.00 C ATOM 1670 O ILE A 97 17.479 1.350 6.509 1.00 0.00 O ATOM 1671 CB ILE A 97 15.577 -0.894 5.165 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.194 -2.378 5.215 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.845 -0.720 4.321 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.655 -2.819 3.852 1.00 0.00 C ATOM 0 H ILE A 97 13.712 -0.446 6.817 1.00 0.00 H new ATOM 0 HA ILE A 97 16.596 -1.004 7.056 1.00 0.00 H new ATOM 0 HB ILE A 97 14.766 -0.322 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 97 16.063 -2.979 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.441 -2.543 5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.661 -1.082 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.116 0.335 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.660 -1.289 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.384 -3.874 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.775 -2.228 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.422 -2.670 3.092 1.00 0.00 H new ATOM 1686 N ALA A 98 15.377 1.993 6.559 1.00 0.00 N ATOM 1687 CA ALA A 98 15.765 3.430 6.529 1.00 0.00 C ATOM 1688 C ALA A 98 16.296 3.830 7.904 1.00 0.00 C ATOM 1689 O ALA A 98 16.950 4.841 8.062 1.00 0.00 O ATOM 1690 CB ALA A 98 14.548 4.289 6.182 1.00 0.00 C ATOM 0 H ALA A 98 14.373 1.815 6.589 1.00 0.00 H new ATOM 0 HA ALA A 98 16.536 3.584 5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.838 5.340 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.165 3.999 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.772 4.141 6.933 1.00 0.00 H new ATOM 1696 N ARG A 99 16.015 3.038 8.903 1.00 0.00 N ATOM 1697 CA ARG A 99 16.498 3.360 10.271 1.00 0.00 C ATOM 1698 C ARG A 99 17.999 3.103 10.329 1.00 0.00 C ATOM 1699 O ARG A 99 18.698 3.616 11.180 1.00 0.00 O ATOM 1700 CB ARG A 99 15.769 2.468 11.289 1.00 0.00 C ATOM 1701 CG ARG A 99 16.342 2.671 12.703 1.00 0.00 C ATOM 1702 CD ARG A 99 16.306 4.155 13.095 1.00 0.00 C ATOM 1703 NE ARG A 99 16.368 4.274 14.579 1.00 0.00 N ATOM 1704 CZ ARG A 99 16.473 5.449 15.137 1.00 0.00 C ATOM 1705 NH1 ARG A 99 16.526 6.522 14.395 1.00 0.00 N ATOM 1706 NH2 ARG A 99 16.527 5.551 16.437 1.00 0.00 N ATOM 0 H ARG A 99 15.470 2.179 8.828 1.00 0.00 H new ATOM 0 HA ARG A 99 16.297 4.404 10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.704 2.701 11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.867 1.422 10.999 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.767 2.086 13.421 1.00 0.00 H new ATOM 0 HG3 ARG A 99 17.368 2.304 12.741 1.00 0.00 H new ATOM 0 HD2 ARG A 99 17.144 4.683 12.641 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.395 4.620 12.719 1.00 0.00 H new ATOM 0 HE ARG A 99 16.328 3.436 15.159 1.00 0.00 H new ATOM 0 HH11 ARG A 99 16.485 6.442 13.379 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.608 7.440 14.831 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.487 4.713 17.016 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.609 6.469 16.874 1.00 0.00 H new ATOM 1720 N HIS A 100 18.504 2.314 9.419 1.00 0.00 N ATOM 1721 CA HIS A 100 19.959 2.024 9.409 1.00 0.00 C ATOM 1722 C HIS A 100 20.684 3.218 8.801 1.00 0.00 C ATOM 1723 O HIS A 100 21.769 3.580 9.211 1.00 0.00 O ATOM 1724 CB HIS A 100 20.226 0.777 8.564 1.00 0.00 C ATOM 1725 CG HIS A 100 21.664 0.363 8.717 1.00 0.00 C ATOM 1726 ND1 HIS A 100 22.144 -0.228 9.877 1.00 0.00 N ATOM 1727 CD2 HIS A 100 22.738 0.447 7.866 1.00 0.00 C ATOM 1728 CE1 HIS A 100 23.455 -0.474 9.695 1.00 0.00 C ATOM 1729 NE2 HIS A 100 23.863 -0.081 8.487 1.00 0.00 N ATOM 0 H HIS A 100 17.966 1.858 8.682 1.00 0.00 H new ATOM 0 HA HIS A 100 20.314 1.848 10.424 1.00 0.00 H new ATOM 0 HB2 HIS A 100 19.568 -0.034 8.876 1.00 0.00 H new ATOM 0 HB3 HIS A 100 20.005 0.981 7.516 1.00 0.00 H new ATOM 0 HD2 HIS A 100 22.712 0.860 6.868 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.096 -0.932 10.434 1.00 0.00 H new ATOM 0 HE2 HIS A 100 24.804 -0.153 8.100 1.00 0.00 H new ATOM 1738 N ARG A 101 20.082 3.837 7.822 1.00 0.00 N ATOM 1739 CA ARG A 101 20.716 5.017 7.173 1.00 0.00 C ATOM 1740 C ARG A 101 20.371 6.276 7.971 1.00 0.00 C ATOM 1741 O ARG A 101 21.019 7.296 7.855 1.00 0.00 O ATOM 1742 CB ARG A 101 20.186 5.159 5.745 1.00 0.00 C ATOM 1743 CG ARG A 101 20.613 3.945 4.919 1.00 0.00 C ATOM 1744 CD ARG A 101 19.945 4.000 3.543 1.00 0.00 C ATOM 1745 NE ARG A 101 20.046 5.384 2.997 1.00 0.00 N ATOM 1746 CZ ARG A 101 19.416 5.699 1.897 1.00 0.00 C ATOM 1747 NH1 ARG A 101 18.700 4.803 1.274 1.00 0.00 N ATOM 1748 NH2 ARG A 101 19.505 6.911 1.420 1.00 0.00 N ATOM 0 H ARG A 101 19.173 3.573 7.443 1.00 0.00 H new ATOM 0 HA ARG A 101 21.798 4.884 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.099 5.241 5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.570 6.073 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 101 21.697 3.931 4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 101 20.334 3.026 5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.425 3.294 2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.899 3.704 3.623 1.00 0.00 H new ATOM 0 HE ARG A 101 20.607 6.084 3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.632 3.856 1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.208 5.050 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.066 7.611 1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.014 7.158 0.561 1.00 0.00 H new ATOM 1762 N ALA A 102 19.348 6.210 8.782 1.00 0.00 N ATOM 1763 CA ALA A 102 18.951 7.400 9.592 1.00 0.00 C ATOM 1764 C ALA A 102 19.827 7.484 10.845 1.00 0.00 C ATOM 1765 O ALA A 102 19.578 8.273 11.735 1.00 0.00 O ATOM 1766 CB ALA A 102 17.484 7.265 10.005 1.00 0.00 C ATOM 0 H ALA A 102 18.769 5.382 8.919 1.00 0.00 H new ATOM 0 HA ALA A 102 19.083 8.304 8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.191 8.132 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.859 7.206 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.355 6.360 10.599 1.00 0.00 H new ATOM 1772 N LYS A 103 20.852 6.679 10.922 1.00 0.00 N ATOM 1773 CA LYS A 103 21.743 6.715 12.116 1.00 0.00 C ATOM 1774 C LYS A 103 22.667 7.930 12.012 1.00 0.00 C ATOM 1775 O LYS A 103 22.757 8.735 12.918 1.00 0.00 O ATOM 1776 CB LYS A 103 22.576 5.427 12.157 1.00 0.00 C ATOM 1777 CG LYS A 103 21.710 4.260 12.642 1.00 0.00 C ATOM 1778 CD LYS A 103 22.569 2.995 12.754 1.00 0.00 C ATOM 1779 CE LYS A 103 21.799 1.916 13.519 1.00 0.00 C ATOM 1780 NZ LYS A 103 20.495 1.660 12.846 1.00 0.00 N ATOM 0 H LYS A 103 21.111 5.997 10.209 1.00 0.00 H new ATOM 0 HA LYS A 103 21.149 6.790 13.027 1.00 0.00 H new ATOM 0 HB2 LYS A 103 22.973 5.209 11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 103 23.431 5.557 12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 103 21.268 4.499 13.610 1.00 0.00 H new ATOM 0 HG3 LYS A 103 20.886 4.092 11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 103 22.832 2.633 11.760 1.00 0.00 H new ATOM 0 HD3 LYS A 103 23.503 3.222 13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 103 22.385 0.998 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 103 21.632 2.235 14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 19.771 1.445 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.211 2.503 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.591 0.852 12.198 1.00 0.00 H new ATOM 1794 N HIS A 104 23.352 8.070 10.909 1.00 0.00 N ATOM 1795 CA HIS A 104 24.269 9.233 10.732 1.00 0.00 C ATOM 1796 C HIS A 104 24.512 9.453 9.238 1.00 0.00 C ATOM 1797 O HIS A 104 25.073 10.449 8.828 1.00 0.00 O ATOM 1798 CB HIS A 104 25.599 8.951 11.440 1.00 0.00 C ATOM 1799 CG HIS A 104 26.287 7.780 10.790 1.00 0.00 C ATOM 1800 ND1 HIS A 104 27.422 7.932 10.005 1.00 0.00 N ATOM 1801 CD2 HIS A 104 26.015 6.434 10.799 1.00 0.00 C ATOM 1802 CE1 HIS A 104 27.787 6.709 9.577 1.00 0.00 C ATOM 1803 NE2 HIS A 104 26.963 5.764 10.034 1.00 0.00 N ATOM 0 H HIS A 104 23.316 7.426 10.119 1.00 0.00 H new ATOM 0 HA HIS A 104 23.820 10.127 11.164 1.00 0.00 H new ATOM 0 HB2 HIS A 104 26.240 9.832 11.394 1.00 0.00 H new ATOM 0 HB3 HIS A 104 25.422 8.740 12.495 1.00 0.00 H new ATOM 0 HD2 HIS A 104 25.192 5.968 11.320 1.00 0.00 H new ATOM 0 HE1 HIS A 104 28.640 6.517 8.943 1.00 0.00 H new ATOM 0 HE2 HIS A 104 27.017 4.761 9.859 1.00 0.00 H new ATOM 1812 N GLN A 105 24.089 8.526 8.425 1.00 0.00 N ATOM 1813 CA GLN A 105 24.287 8.670 6.956 1.00 0.00 C ATOM 1814 C GLN A 105 23.344 9.751 6.423 1.00 0.00 C ATOM 1815 O GLN A 105 23.415 10.140 5.274 1.00 0.00 O ATOM 1816 CB GLN A 105 23.979 7.333 6.273 1.00 0.00 C ATOM 1817 CG GLN A 105 25.104 6.335 6.563 1.00 0.00 C ATOM 1818 CD GLN A 105 24.841 5.034 5.804 1.00 0.00 C ATOM 1819 OE1 GLN A 105 23.851 4.911 5.111 1.00 0.00 O ATOM 1820 NE2 GLN A 105 25.693 4.051 5.904 1.00 0.00 N ATOM 0 H GLN A 105 23.613 7.672 8.716 1.00 0.00 H new ATOM 0 HA GLN A 105 25.318 8.955 6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 105 23.029 6.940 6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 105 23.876 7.478 5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 105 26.064 6.756 6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 105 25.163 6.138 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 105 26.524 4.154 6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 105 25.528 3.180 5.400 1.00 0.00 H new ATOM 1829 N LYS A 106 22.460 10.241 7.250 1.00 0.00 N ATOM 1830 CA LYS A 106 21.515 11.297 6.791 1.00 0.00 C ATOM 1831 C LYS A 106 22.296 12.569 6.456 1.00 0.00 C ATOM 1832 O LYS A 106 21.807 13.447 5.774 1.00 0.00 O ATOM 1833 CB LYS A 106 20.506 11.595 7.903 1.00 0.00 C ATOM 1834 CG LYS A 106 19.431 12.546 7.375 1.00 0.00 C ATOM 1835 CD LYS A 106 18.326 12.701 8.423 1.00 0.00 C ATOM 1836 CE LYS A 106 17.202 13.570 7.857 1.00 0.00 C ATOM 1837 NZ LYS A 106 16.204 13.849 8.927 1.00 0.00 N ATOM 0 H LYS A 106 22.352 9.955 8.223 1.00 0.00 H new ATOM 0 HA LYS A 106 20.986 10.952 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 106 20.048 10.669 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 106 21.013 12.041 8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 106 19.870 13.517 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 106 19.013 12.159 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 106 17.937 11.722 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 106 18.730 13.155 9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 106 17.609 14.505 7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 106 16.722 13.063 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 15.439 14.440 8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 15.808 12.952 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 16.667 14.350 9.712 1.00 0.00 H new ATOM 1851 N SER A 107 23.508 12.674 6.931 1.00 0.00 N ATOM 1852 CA SER A 107 24.320 13.888 6.640 1.00 0.00 C ATOM 1853 C SER A 107 24.783 13.855 5.182 1.00 0.00 C ATOM 1854 O SER A 107 24.779 14.901 4.556 1.00 0.00 O ATOM 1855 CB SER A 107 25.538 13.919 7.562 1.00 0.00 C ATOM 1856 OG SER A 107 26.497 12.973 7.106 1.00 0.00 O ATOM 1857 OXT SER A 107 25.133 12.782 4.718 1.00 0.00 O ATOM 0 H SER A 107 23.970 11.971 7.508 1.00 0.00 H new ATOM 0 HA SER A 107 23.715 14.779 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 107 25.973 14.918 7.575 1.00 0.00 H new ATOM 0 HB3 SER A 107 25.240 13.688 8.585 1.00 0.00 H new ATOM 0 HG SER A 107 27.280 12.992 7.695 1.00 0.00 H new TER 1863 SER A 107