USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 897 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 92 ASN : amide:sc= -2.59 K(o=-6.1,f=-11!) USER MOD Set 1.2: A 93 ASN : amide:sc= -3.56 X(o=-6.1,f=-5.7!) USER MOD Set 2.1: A 59 MET CE :methyl 135:sc= -2.07 (180deg=-2.15!) USER MOD Set 2.2: A 88 MET CE :methyl -138:sc= -1.9 (180deg=-0.00516) USER MOD Set 3.1: A 51 THR OG1 : rot 139:sc= 0.145 USER MOD Set 3.2: A 97 MET CE :methyl -107:sc= -3.26! (180deg=-4.17!) USER MOD Set 4.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 49 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 13 SER OG : rot 41:sc= 1.23 USER MOD Set 6.2: A 32 THR OG1 : rot -160:sc= 1.45 USER MOD Set 7.1: A 2 SER OG : rot -73:sc= 1.22 USER MOD Set 7.2: A 3 HIS : no HD1:sc= 1.21 K(o=2.4,f=-8.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0739 K(o=0.074,f=-2.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -68:sc= 1.19 USER MOD Single : A 36 LYS NZ :NH3+ -113:sc= 0.0338 (180deg=-2.09!) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -3.41! C(o=-4.6!,f=-3.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 83:sc= -0.996 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -124:sc= -5.88! (180deg=-6.83!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -29:sc= 0.0685 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 146:sc= 1.22 (180deg=0.704) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= -0.0557 (180deg=-0.612) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -0.0791 X(o=-0.079,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 99 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.2) USER MOD Single : A 101 LYS NZ :NH3+ 147:sc= -0.358 (180deg=-1.57!) USER MOD Single : A 102 MET CE :methyl -155:sc= -0.0654 (180deg=-0.438) USER MOD Single : A 103 THR OG1 : rot -160:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.6) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 109 SER OG : rot 88:sc= 0.721 USER MOD Single : A 111 TYR OH : rot 110:sc= 0.405 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -11.395 -4.329 11.484 1.00 0.00 N ATOM 18 CA SER A 2 -10.104 -4.202 12.151 1.00 0.00 C ATOM 19 C SER A 2 -9.145 -5.292 11.683 1.00 0.00 C ATOM 20 O SER A 2 -9.412 -6.481 11.853 1.00 0.00 O ATOM 21 CB SER A 2 -10.279 -4.279 13.668 1.00 0.00 C ATOM 22 OG SER A 2 -9.052 -4.042 14.336 1.00 0.00 O ATOM 0 HA SER A 2 -9.682 -3.231 11.891 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.019 -3.546 13.989 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.663 -5.261 13.943 1.00 0.00 H new ATOM 0 HG SER A 2 -8.464 -4.818 14.225 1.00 0.00 H new ATOM 28 N HIS A 3 -8.027 -4.877 11.096 1.00 0.00 N ATOM 29 CA HIS A 3 -7.024 -5.816 10.607 1.00 0.00 C ATOM 30 C HIS A 3 -7.574 -6.659 9.465 1.00 0.00 C ATOM 31 O HIS A 3 -7.200 -7.819 9.295 1.00 0.00 O ATOM 32 CB HIS A 3 -6.538 -6.708 11.746 1.00 0.00 C ATOM 33 CG HIS A 3 -5.999 -5.931 12.902 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.804 -5.355 13.859 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.728 -5.618 13.241 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.053 -4.718 14.737 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.788 -4.864 14.387 1.00 0.00 N ATOM 0 H HIS A 3 -7.793 -3.895 10.947 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.179 -5.244 10.224 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.362 -7.334 12.088 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.763 -7.377 11.372 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.833 -5.907 12.710 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.412 -4.170 15.596 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.986 -4.479 14.887 1.00 0.00 H new ATOM 46 N SER A 4 -8.452 -6.055 8.679 1.00 0.00 N ATOM 47 CA SER A 4 -9.054 -6.728 7.534 1.00 0.00 C ATOM 48 C SER A 4 -9.926 -5.768 6.742 1.00 0.00 C ATOM 49 O SER A 4 -10.284 -4.692 7.223 1.00 0.00 O ATOM 50 CB SER A 4 -9.884 -7.937 7.968 1.00 0.00 C ATOM 51 OG SER A 4 -10.878 -7.564 8.906 1.00 0.00 O ATOM 0 H SER A 4 -8.766 -5.094 8.813 1.00 0.00 H new ATOM 0 HA SER A 4 -8.240 -7.078 6.900 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.355 -8.391 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.231 -8.692 8.406 1.00 0.00 H new ATOM 0 HG SER A 4 -11.396 -8.355 9.166 1.00 0.00 H new ATOM 57 N GLY A 5 -10.265 -6.166 5.525 1.00 0.00 N ATOM 58 CA GLY A 5 -11.095 -5.336 4.681 1.00 0.00 C ATOM 59 C GLY A 5 -10.994 -5.715 3.226 1.00 0.00 C ATOM 60 O GLY A 5 -9.923 -5.641 2.625 1.00 0.00 O ATOM 0 H GLY A 5 -9.979 -7.051 5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.133 -5.417 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.804 -4.293 4.803 1.00 0.00 H new ATOM 64 N ALA A 6 -12.117 -6.131 2.662 1.00 0.00 N ATOM 65 CA ALA A 6 -12.171 -6.536 1.268 1.00 0.00 C ATOM 66 C ALA A 6 -11.472 -5.525 0.366 1.00 0.00 C ATOM 67 O ALA A 6 -11.942 -4.401 0.187 1.00 0.00 O ATOM 68 CB ALA A 6 -13.611 -6.750 0.844 1.00 0.00 C ATOM 0 H ALA A 6 -13.009 -6.197 3.153 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.636 -7.480 1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.641 -7.053 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.060 -7.529 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.169 -5.822 0.969 1.00 0.00 H new ATOM 74 N ALA A 7 -10.333 -5.935 -0.185 1.00 0.00 N ATOM 75 CA ALA A 7 -9.543 -5.067 -1.056 1.00 0.00 C ATOM 76 C ALA A 7 -9.266 -5.726 -2.407 1.00 0.00 C ATOM 77 O ALA A 7 -9.176 -6.946 -2.504 1.00 0.00 O ATOM 78 CB ALA A 7 -8.228 -4.710 -0.374 1.00 0.00 C ATOM 0 H ALA A 7 -9.935 -6.864 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.120 -4.161 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.643 -4.063 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.433 -4.191 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.666 -5.621 -0.168 1.00 0.00 H new ATOM 84 N ILE A 8 -9.118 -4.908 -3.446 1.00 0.00 N ATOM 85 CA ILE A 8 -8.836 -5.423 -4.782 1.00 0.00 C ATOM 86 C ILE A 8 -7.354 -5.310 -5.092 1.00 0.00 C ATOM 87 O ILE A 8 -6.770 -4.229 -5.013 1.00 0.00 O ATOM 88 CB ILE A 8 -9.657 -4.691 -5.873 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.023 -5.360 -6.025 1.00 0.00 C ATOM 90 CG2 ILE A 8 -8.933 -4.667 -7.215 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.173 -4.469 -5.642 1.00 0.00 C ATOM 0 H ILE A 8 -9.188 -3.892 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.131 -6.472 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.785 -3.656 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.150 -5.679 -7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.049 -6.259 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.545 -4.144 -7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.979 -4.151 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.756 -5.689 -7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.111 -5.008 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.070 -4.171 -4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.172 -3.582 -6.275 1.00 0.00 H new ATOM 103 N PHE A 9 -6.753 -6.431 -5.451 1.00 0.00 N ATOM 104 CA PHE A 9 -5.332 -6.453 -5.780 1.00 0.00 C ATOM 105 C PHE A 9 -5.114 -6.757 -7.257 1.00 0.00 C ATOM 106 O PHE A 9 -5.680 -7.709 -7.794 1.00 0.00 O ATOM 107 CB PHE A 9 -4.592 -7.479 -4.922 1.00 0.00 C ATOM 108 CG PHE A 9 -3.106 -7.264 -4.895 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.581 -6.008 -4.638 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.235 -8.315 -5.134 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.215 -5.804 -4.617 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.868 -8.116 -5.115 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.357 -6.859 -4.855 1.00 0.00 C ATOM 0 H PHE A 9 -7.220 -7.335 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.930 -5.462 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.977 -7.437 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.801 -8.479 -5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.247 -5.179 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.629 -9.300 -5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.819 -4.820 -4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.199 -8.943 -5.303 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.711 -6.702 -4.838 1.00 0.00 H new ATOM 123 N GLU A 10 -4.289 -5.942 -7.909 1.00 0.00 N ATOM 124 CA GLU A 10 -3.997 -6.126 -9.326 1.00 0.00 C ATOM 125 C GLU A 10 -5.276 -6.133 -10.148 1.00 0.00 C ATOM 126 O GLU A 10 -5.384 -6.857 -11.137 1.00 0.00 O ATOM 127 CB GLU A 10 -3.232 -7.433 -9.542 1.00 0.00 C ATOM 128 CG GLU A 10 -1.974 -7.544 -8.698 1.00 0.00 C ATOM 129 CD GLU A 10 -1.182 -8.805 -8.989 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.722 -9.701 -9.672 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.024 -8.897 -8.532 1.00 0.00 O ATOM 0 H GLU A 10 -3.812 -5.150 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.380 -5.291 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.889 -8.272 -9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.963 -7.518 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.343 -6.674 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.247 -7.527 -7.643 1.00 0.00 H new ATOM 138 N LYS A 11 -6.256 -5.336 -9.720 1.00 0.00 N ATOM 139 CA LYS A 11 -7.541 -5.265 -10.408 1.00 0.00 C ATOM 140 C LYS A 11 -8.382 -6.497 -10.086 1.00 0.00 C ATOM 141 O LYS A 11 -9.502 -6.639 -10.574 1.00 0.00 O ATOM 142 CB LYS A 11 -7.350 -5.139 -11.923 1.00 0.00 C ATOM 143 CG LYS A 11 -6.305 -4.108 -12.322 1.00 0.00 C ATOM 144 CD LYS A 11 -6.260 -3.916 -13.828 1.00 0.00 C ATOM 145 CE LYS A 11 -5.126 -2.989 -14.236 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.097 -2.762 -15.708 1.00 0.00 N ATOM 0 H LYS A 11 -6.182 -4.732 -8.901 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.063 -4.375 -10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.063 -6.110 -12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.303 -4.873 -12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.528 -3.157 -11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.325 -4.425 -11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.135 -4.883 -14.316 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.209 -3.506 -14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.236 -2.033 -13.723 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.175 -3.415 -13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.310 -2.125 -15.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.967 -3.671 -16.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.994 -2.332 -16.011 1.00 0.00 H new ATOM 160 N VAL A 12 -7.840 -7.376 -9.243 1.00 0.00 N ATOM 161 CA VAL A 12 -8.546 -8.576 -8.841 1.00 0.00 C ATOM 162 C VAL A 12 -9.156 -8.366 -7.476 1.00 0.00 C ATOM 163 O VAL A 12 -8.693 -7.539 -6.695 1.00 0.00 O ATOM 164 CB VAL A 12 -7.627 -9.810 -8.824 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.280 -10.978 -8.097 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.291 -10.194 -10.245 1.00 0.00 C ATOM 0 H VAL A 12 -6.913 -7.273 -8.829 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.329 -8.766 -9.575 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.713 -9.561 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.605 -11.834 -8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.494 -10.692 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.209 -11.246 -8.600 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.640 -11.068 -10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.208 -10.427 -10.785 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.782 -9.364 -10.735 1.00 0.00 H new ATOM 176 N SER A 13 -10.209 -9.099 -7.200 1.00 0.00 N ATOM 177 CA SER A 13 -10.891 -8.951 -5.927 1.00 0.00 C ATOM 178 C SER A 13 -10.446 -9.979 -4.897 1.00 0.00 C ATOM 179 O SER A 13 -10.074 -11.103 -5.227 1.00 0.00 O ATOM 180 CB SER A 13 -12.395 -9.018 -6.119 1.00 0.00 C ATOM 181 OG SER A 13 -12.795 -10.274 -6.638 1.00 0.00 O ATOM 0 H SER A 13 -10.611 -9.796 -7.827 1.00 0.00 H new ATOM 0 HA SER A 13 -10.618 -7.970 -5.537 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.893 -8.841 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.712 -8.225 -6.796 1.00 0.00 H new ATOM 0 HG SER A 13 -12.280 -10.986 -6.205 1.00 0.00 H new ATOM 187 N GLY A 14 -10.497 -9.555 -3.641 1.00 0.00 N ATOM 188 CA GLY A 14 -10.112 -10.393 -2.528 1.00 0.00 C ATOM 189 C GLY A 14 -10.163 -9.608 -1.239 1.00 0.00 C ATOM 190 O GLY A 14 -10.499 -8.425 -1.253 1.00 0.00 O ATOM 0 H GLY A 14 -10.807 -8.621 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.778 -11.253 -2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.105 -10.780 -2.686 1.00 0.00 H new ATOM 194 N ILE A 15 -9.832 -10.236 -0.122 1.00 0.00 N ATOM 195 CA ILE A 15 -9.849 -9.528 1.145 1.00 0.00 C ATOM 196 C ILE A 15 -8.437 -9.248 1.613 1.00 0.00 C ATOM 197 O ILE A 15 -7.532 -10.062 1.435 1.00 0.00 O ATOM 198 CB ILE A 15 -10.626 -10.282 2.255 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.125 -10.413 1.918 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.469 -9.561 3.594 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.512 -9.996 0.514 1.00 0.00 C ATOM 0 H ILE A 15 -9.554 -11.216 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.376 -8.591 0.964 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.203 -11.284 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.425 -11.450 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.694 -9.812 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.019 -10.101 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.414 -9.520 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.862 -8.548 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.586 -10.126 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.251 -8.949 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.978 -10.613 -0.209 1.00 0.00 H new ATOM 213 N ILE A 16 -8.262 -8.089 2.223 1.00 0.00 N ATOM 214 CA ILE A 16 -6.968 -7.692 2.730 1.00 0.00 C ATOM 215 C ILE A 16 -6.987 -7.794 4.245 1.00 0.00 C ATOM 216 O ILE A 16 -7.782 -7.133 4.910 1.00 0.00 O ATOM 217 CB ILE A 16 -6.612 -6.250 2.278 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.408 -6.265 1.335 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.346 -5.333 3.460 1.00 0.00 C ATOM 220 CD1 ILE A 16 -4.993 -4.887 0.861 1.00 0.00 C ATOM 0 H ILE A 16 -9.005 -7.407 2.378 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.202 -8.355 2.328 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.476 -5.855 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.565 -6.735 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.643 -6.883 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.101 -4.335 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.235 -5.283 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.511 -5.723 4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.134 -4.974 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.821 -4.422 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.726 -4.272 1.720 1.00 0.00 H new ATOM 232 N ALA A 17 -6.131 -8.648 4.780 1.00 0.00 N ATOM 233 CA ALA A 17 -6.075 -8.857 6.215 1.00 0.00 C ATOM 234 C ALA A 17 -4.688 -8.552 6.766 1.00 0.00 C ATOM 235 O ALA A 17 -3.675 -8.966 6.202 1.00 0.00 O ATOM 236 CB ALA A 17 -6.504 -10.278 6.542 1.00 0.00 C ATOM 0 H ALA A 17 -5.467 -9.206 4.243 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.766 -8.165 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.461 -10.432 7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.524 -10.440 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.835 -10.983 6.048 1.00 0.00 H new ATOM 242 N ILE A 18 -4.658 -7.809 7.864 1.00 0.00 N ATOM 243 CA ILE A 18 -3.408 -7.417 8.496 1.00 0.00 C ATOM 244 C ILE A 18 -3.171 -8.202 9.784 1.00 0.00 C ATOM 245 O ILE A 18 -4.098 -8.449 10.554 1.00 0.00 O ATOM 246 CB ILE A 18 -3.413 -5.903 8.793 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.411 -5.118 7.478 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.225 -5.506 9.660 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.750 -3.654 7.644 1.00 0.00 C ATOM 0 H ILE A 18 -5.493 -7.464 8.338 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.596 -7.644 7.805 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.319 -5.663 9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.428 -5.204 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.127 -5.572 6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.257 -4.433 9.852 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.269 -6.045 10.606 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.298 -5.755 9.143 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.729 -3.163 6.671 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.745 -3.558 8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.020 -3.184 8.303 1.00 0.00 H new ATOM 261 N ASN A 19 -1.922 -8.595 10.007 1.00 0.00 N ATOM 262 CA ASN A 19 -1.561 -9.355 11.199 1.00 0.00 C ATOM 263 C ASN A 19 -0.328 -8.761 11.870 1.00 0.00 C ATOM 264 O ASN A 19 0.777 -8.827 11.329 1.00 0.00 O ATOM 265 CB ASN A 19 -1.305 -10.819 10.839 1.00 0.00 C ATOM 266 CG ASN A 19 -1.220 -11.709 12.062 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.633 -11.322 13.155 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.684 -12.911 11.883 1.00 0.00 N ATOM 0 H ASN A 19 -1.142 -8.400 9.379 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.395 -9.301 11.899 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.104 -11.175 10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.376 -10.894 10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.602 -13.555 12.670 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.355 -13.190 10.959 1.00 0.00 H new ATOM 275 N GLU A 20 -0.522 -8.183 13.052 1.00 0.00 N ATOM 276 CA GLU A 20 0.576 -7.581 13.798 1.00 0.00 C ATOM 277 C GLU A 20 1.239 -8.596 14.725 1.00 0.00 C ATOM 278 O GLU A 20 2.118 -8.248 15.513 1.00 0.00 O ATOM 279 CB GLU A 20 0.078 -6.381 14.606 1.00 0.00 C ATOM 280 CG GLU A 20 -0.513 -5.274 13.749 1.00 0.00 C ATOM 281 CD GLU A 20 -0.907 -4.056 14.561 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.950 -4.111 15.245 1.00 0.00 O ATOM 283 OE2 GLU A 20 -0.171 -3.048 14.512 1.00 0.00 O ATOM 0 H GLU A 20 -1.430 -8.119 13.513 1.00 0.00 H new ATOM 0 HA GLU A 20 1.320 -7.242 13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.675 -6.720 15.317 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.906 -5.976 15.187 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.212 -4.981 12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.389 -5.655 13.223 1.00 0.00 H new ATOM 290 N ASP A 21 0.822 -9.855 14.620 1.00 0.00 N ATOM 291 CA ASP A 21 1.386 -10.916 15.441 1.00 0.00 C ATOM 292 C ASP A 21 2.731 -11.364 14.880 1.00 0.00 C ATOM 293 O ASP A 21 3.526 -12.000 15.574 1.00 0.00 O ATOM 294 CB ASP A 21 0.428 -12.105 15.502 1.00 0.00 C ATOM 295 CG ASP A 21 0.860 -13.148 16.515 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.733 -12.838 17.351 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.324 -14.275 16.471 1.00 0.00 O ATOM 0 H ASP A 21 0.095 -10.163 13.974 1.00 0.00 H new ATOM 0 HA ASP A 21 1.535 -10.529 16.449 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.571 -11.750 15.755 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.363 -12.566 14.516 1.00 0.00 H new ATOM 302 N VAL A 22 2.977 -11.029 13.618 1.00 0.00 N ATOM 303 CA VAL A 22 4.219 -11.392 12.958 1.00 0.00 C ATOM 304 C VAL A 22 5.200 -10.226 12.956 1.00 0.00 C ATOM 305 O VAL A 22 4.801 -9.067 12.833 1.00 0.00 O ATOM 306 CB VAL A 22 3.982 -11.850 11.501 1.00 0.00 C ATOM 307 CG1 VAL A 22 3.905 -13.367 11.422 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.725 -11.215 10.919 1.00 0.00 C ATOM 0 H VAL A 22 2.327 -10.504 13.032 1.00 0.00 H new ATOM 0 HA VAL A 22 4.640 -12.223 13.524 1.00 0.00 H new ATOM 0 HB VAL A 22 4.830 -11.516 10.903 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.738 -13.669 10.388 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.840 -13.798 11.779 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.082 -13.722 12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.586 -11.557 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.861 -11.503 11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.828 -10.130 10.929 1.00 0.00 H new ATOM 318 N SER A 23 6.485 -10.536 13.093 1.00 0.00 N ATOM 319 CA SER A 23 7.519 -9.509 13.106 1.00 0.00 C ATOM 320 C SER A 23 8.463 -9.674 11.911 1.00 0.00 C ATOM 321 O SER A 23 9.160 -10.683 11.801 1.00 0.00 O ATOM 322 CB SER A 23 8.310 -9.571 14.414 1.00 0.00 C ATOM 323 OG SER A 23 9.594 -8.988 14.266 1.00 0.00 O ATOM 0 H SER A 23 6.834 -11.489 13.196 1.00 0.00 H new ATOM 0 HA SER A 23 7.035 -8.535 13.031 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.760 -9.052 15.199 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.413 -10.609 14.730 1.00 0.00 H new ATOM 0 HG SER A 23 10.077 -9.040 15.117 1.00 0.00 H new ATOM 329 N PRO A 24 8.503 -8.684 10.996 1.00 0.00 N ATOM 330 CA PRO A 24 7.698 -7.466 11.079 1.00 0.00 C ATOM 331 C PRO A 24 6.269 -7.696 10.602 1.00 0.00 C ATOM 332 O PRO A 24 6.035 -8.455 9.663 1.00 0.00 O ATOM 333 CB PRO A 24 8.423 -6.478 10.151 1.00 0.00 C ATOM 334 CG PRO A 24 9.581 -7.218 9.556 1.00 0.00 C ATOM 335 CD PRO A 24 9.344 -8.681 9.798 1.00 0.00 C ATOM 0 HA PRO A 24 7.609 -7.107 12.104 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.753 -6.116 9.371 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.766 -5.605 10.707 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.661 -7.013 8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.518 -6.899 10.013 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.844 -9.154 8.953 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.278 -9.220 9.959 1.00 0.00 H new ATOM 343 N ALA A 25 5.314 -7.034 11.253 1.00 0.00 N ATOM 344 CA ALA A 25 3.904 -7.168 10.888 1.00 0.00 C ATOM 345 C ALA A 25 3.720 -7.055 9.377 1.00 0.00 C ATOM 346 O ALA A 25 4.382 -6.251 8.722 1.00 0.00 O ATOM 347 CB ALA A 25 3.071 -6.116 11.603 1.00 0.00 C ATOM 0 H ALA A 25 5.490 -6.401 12.034 1.00 0.00 H new ATOM 0 HA ALA A 25 3.564 -8.156 11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.024 -6.228 11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.173 -6.242 12.681 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.418 -5.122 11.320 1.00 0.00 H new ATOM 353 N GLU A 26 2.830 -7.873 8.829 1.00 0.00 N ATOM 354 CA GLU A 26 2.579 -7.866 7.391 1.00 0.00 C ATOM 355 C GLU A 26 1.087 -7.879 7.078 1.00 0.00 C ATOM 356 O GLU A 26 0.255 -8.134 7.947 1.00 0.00 O ATOM 357 CB GLU A 26 3.254 -9.073 6.735 1.00 0.00 C ATOM 358 CG GLU A 26 4.721 -9.225 7.103 1.00 0.00 C ATOM 359 CD GLU A 26 5.426 -10.274 6.264 1.00 0.00 C ATOM 360 OE1 GLU A 26 5.235 -11.478 6.535 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.168 -9.890 5.337 1.00 0.00 O ATOM 0 H GLU A 26 2.272 -8.547 9.354 1.00 0.00 H new ATOM 0 HA GLU A 26 2.999 -6.945 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.720 -9.978 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.167 -8.983 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.225 -8.266 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.802 -9.493 8.156 1.00 0.00 H new ATOM 368 N LEU A 27 0.767 -7.608 5.817 1.00 0.00 N ATOM 369 CA LEU A 27 -0.613 -7.589 5.351 1.00 0.00 C ATOM 370 C LEU A 27 -0.789 -8.603 4.227 1.00 0.00 C ATOM 371 O LEU A 27 -0.017 -8.613 3.267 1.00 0.00 O ATOM 372 CB LEU A 27 -0.987 -6.185 4.866 1.00 0.00 C ATOM 373 CG LEU A 27 -2.349 -6.070 4.179 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.888 -4.653 4.303 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.243 -6.477 2.716 1.00 0.00 C ATOM 0 H LEU A 27 1.454 -7.396 5.093 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.273 -7.857 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.971 -5.508 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.219 -5.842 4.173 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.045 -6.747 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.857 -4.588 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.000 -4.397 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.194 -3.957 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.221 -6.389 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.533 -5.824 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.899 -7.509 2.649 1.00 0.00 H new ATOM 387 N THR A 28 -1.785 -9.472 4.355 1.00 0.00 N ATOM 388 CA THR A 28 -2.020 -10.502 3.350 1.00 0.00 C ATOM 389 C THR A 28 -3.361 -10.328 2.644 1.00 0.00 C ATOM 390 O THR A 28 -4.408 -10.214 3.283 1.00 0.00 O ATOM 391 CB THR A 28 -1.953 -11.888 3.992 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.728 -12.062 4.682 1.00 0.00 O ATOM 393 CG2 THR A 28 -2.082 -13.017 2.994 1.00 0.00 C ATOM 0 H THR A 28 -2.438 -9.485 5.138 1.00 0.00 H new ATOM 0 HA THR A 28 -1.237 -10.402 2.599 1.00 0.00 H new ATOM 0 HB THR A 28 -2.801 -11.931 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.705 -12.954 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.026 -13.972 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.040 -12.940 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.273 -12.953 2.266 1.00 0.00 H new ATOM 401 N TRP A 29 -3.312 -10.330 1.317 1.00 0.00 N ATOM 402 CA TRP A 29 -4.494 -10.199 0.490 1.00 0.00 C ATOM 403 C TRP A 29 -4.918 -11.572 -0.023 1.00 0.00 C ATOM 404 O TRP A 29 -4.101 -12.319 -0.558 1.00 0.00 O ATOM 405 CB TRP A 29 -4.199 -9.277 -0.690 1.00 0.00 C ATOM 406 CG TRP A 29 -5.331 -9.183 -1.659 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.513 -8.551 -1.454 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.396 -9.748 -2.973 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.316 -8.671 -2.562 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.649 -9.404 -3.511 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.512 -10.505 -3.749 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.044 -9.794 -4.787 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.906 -10.893 -5.017 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.161 -10.536 -5.523 1.00 0.00 C ATOM 0 H TRP A 29 -2.445 -10.423 0.787 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.302 -9.772 1.085 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.966 -8.280 -0.315 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.312 -9.637 -1.211 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.784 -8.028 -0.549 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.253 -8.280 -2.663 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.541 -10.781 -3.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.012 -9.521 -5.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.235 -11.480 -5.626 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.439 -10.853 -6.517 1.00 0.00 H new ATOM 425 N ARG A 30 -6.192 -11.897 0.138 1.00 0.00 N ATOM 426 CA ARG A 30 -6.703 -13.185 -0.316 1.00 0.00 C ATOM 427 C ARG A 30 -7.879 -13.000 -1.266 1.00 0.00 C ATOM 428 O ARG A 30 -8.928 -12.491 -0.878 1.00 0.00 O ATOM 429 CB ARG A 30 -7.123 -14.042 0.879 1.00 0.00 C ATOM 430 CG ARG A 30 -7.623 -15.424 0.490 1.00 0.00 C ATOM 431 CD ARG A 30 -7.116 -16.490 1.447 1.00 0.00 C ATOM 432 NE ARG A 30 -7.657 -17.811 1.133 1.00 0.00 N ATOM 433 CZ ARG A 30 -7.558 -18.864 1.940 1.00 0.00 C ATOM 434 NH1 ARG A 30 -6.942 -18.756 3.112 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.077 -20.029 1.577 1.00 0.00 N ATOM 0 H ARG A 30 -6.888 -11.293 0.576 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.904 -13.695 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.275 -14.149 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.907 -13.523 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.713 -15.429 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.296 -15.658 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.027 -16.525 1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.388 -16.220 2.467 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.139 -17.933 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.542 -17.862 3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.869 -19.567 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.552 -20.118 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.001 -20.836 2.196 1.00 0.00 H new ATOM 449 N SER A 31 -7.695 -13.418 -2.516 1.00 0.00 N ATOM 450 CA SER A 31 -8.741 -13.299 -3.528 1.00 0.00 C ATOM 451 C SER A 31 -10.091 -13.752 -2.979 1.00 0.00 C ATOM 452 O SER A 31 -10.161 -14.381 -1.924 1.00 0.00 O ATOM 453 CB SER A 31 -8.378 -14.126 -4.764 1.00 0.00 C ATOM 454 OG SER A 31 -7.818 -15.375 -4.396 1.00 0.00 O ATOM 0 H SER A 31 -6.831 -13.842 -2.852 1.00 0.00 H new ATOM 0 HA SER A 31 -8.820 -12.249 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.269 -14.288 -5.371 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.669 -13.573 -5.380 1.00 0.00 H new ATOM 0 HG SER A 31 -6.940 -15.232 -3.986 1.00 0.00 H new ATOM 460 N THR A 32 -11.159 -13.432 -3.701 1.00 0.00 N ATOM 461 CA THR A 32 -12.498 -13.811 -3.284 1.00 0.00 C ATOM 462 C THR A 32 -12.711 -15.292 -3.526 1.00 0.00 C ATOM 463 O THR A 32 -13.286 -16.001 -2.700 1.00 0.00 O ATOM 464 CB THR A 32 -13.542 -12.997 -4.052 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.918 -12.070 -4.922 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.472 -12.221 -3.148 1.00 0.00 C ATOM 0 H THR A 32 -11.121 -12.911 -4.577 1.00 0.00 H new ATOM 0 HA THR A 32 -12.609 -13.604 -2.220 1.00 0.00 H new ATOM 0 HB THR A 32 -14.126 -13.729 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.555 -11.364 -5.159 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.188 -11.665 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.007 -12.912 -2.497 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.893 -11.525 -2.541 1.00 0.00 H new ATOM 474 N ASP A 33 -12.237 -15.743 -4.673 1.00 0.00 N ATOM 475 CA ASP A 33 -12.356 -17.136 -5.059 1.00 0.00 C ATOM 476 C ASP A 33 -11.261 -17.986 -4.416 1.00 0.00 C ATOM 477 O ASP A 33 -11.386 -19.208 -4.329 1.00 0.00 O ATOM 478 CB ASP A 33 -12.306 -17.275 -6.581 1.00 0.00 C ATOM 479 CG ASP A 33 -11.016 -16.736 -7.173 1.00 0.00 C ATOM 480 OD1 ASP A 33 -10.073 -16.468 -6.399 1.00 0.00 O ATOM 481 OD2 ASP A 33 -10.950 -16.582 -8.409 1.00 0.00 O ATOM 0 H ASP A 33 -11.761 -15.157 -5.359 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.320 -17.499 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.414 -18.326 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.152 -16.745 -7.019 1.00 0.00 H new ATOM 486 N GLY A 34 -10.189 -17.335 -3.974 1.00 0.00 N ATOM 487 CA GLY A 34 -9.092 -18.052 -3.351 1.00 0.00 C ATOM 488 C GLY A 34 -8.085 -18.556 -4.366 1.00 0.00 C ATOM 489 O GLY A 34 -7.498 -19.623 -4.190 1.00 0.00 O ATOM 0 H GLY A 34 -10.061 -16.325 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.590 -17.397 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.487 -18.895 -2.785 1.00 0.00 H new ATOM 493 N ASP A 35 -7.892 -17.791 -5.436 1.00 0.00 N ATOM 494 CA ASP A 35 -6.954 -18.171 -6.486 1.00 0.00 C ATOM 495 C ASP A 35 -5.707 -17.290 -6.476 1.00 0.00 C ATOM 496 O ASP A 35 -4.662 -17.676 -6.999 1.00 0.00 O ATOM 497 CB ASP A 35 -7.634 -18.094 -7.854 1.00 0.00 C ATOM 498 CG ASP A 35 -8.752 -19.107 -8.003 1.00 0.00 C ATOM 499 OD1 ASP A 35 -8.800 -20.062 -7.199 1.00 0.00 O ATOM 500 OD2 ASP A 35 -9.580 -18.946 -8.925 1.00 0.00 O ATOM 0 H ASP A 35 -8.372 -16.906 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.641 -19.197 -6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.035 -17.091 -8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.892 -18.259 -8.635 1.00 0.00 H new ATOM 505 N LYS A 36 -5.821 -16.107 -5.884 1.00 0.00 N ATOM 506 CA LYS A 36 -4.695 -15.179 -5.818 1.00 0.00 C ATOM 507 C LYS A 36 -4.456 -14.706 -4.387 1.00 0.00 C ATOM 508 O LYS A 36 -5.393 -14.343 -3.677 1.00 0.00 O ATOM 509 CB LYS A 36 -4.944 -13.971 -6.725 1.00 0.00 C ATOM 510 CG LYS A 36 -5.566 -14.331 -8.065 1.00 0.00 C ATOM 511 CD LYS A 36 -4.824 -13.681 -9.222 1.00 0.00 C ATOM 512 CE LYS A 36 -4.773 -12.168 -9.077 1.00 0.00 C ATOM 513 NZ LYS A 36 -3.472 -11.707 -8.518 1.00 0.00 N ATOM 0 H LYS A 36 -6.676 -15.767 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.807 -15.709 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.598 -13.268 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.998 -13.458 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.559 -15.414 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.609 -14.015 -8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.809 -14.076 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.314 -13.941 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.935 -11.704 -10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.584 -11.838 -8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.624 -11.305 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.818 -12.513 -8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.064 -10.981 -9.141 1.00 0.00 H new ATOM 527 N VAL A 37 -3.192 -14.708 -3.974 1.00 0.00 N ATOM 528 CA VAL A 37 -2.828 -14.274 -2.632 1.00 0.00 C ATOM 529 C VAL A 37 -1.548 -13.439 -2.653 1.00 0.00 C ATOM 530 O VAL A 37 -0.592 -13.767 -3.356 1.00 0.00 O ATOM 531 CB VAL A 37 -2.640 -15.475 -1.682 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.444 -16.317 -2.103 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.491 -15.000 -0.244 1.00 0.00 C ATOM 0 H VAL A 37 -2.404 -15.005 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.649 -13.660 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.529 -16.102 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.332 -17.158 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.601 -16.691 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.542 -15.706 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.359 -15.861 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.622 -14.347 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.385 -14.451 0.052 1.00 0.00 H new ATOM 543 N HIS A 38 -1.540 -12.356 -1.881 1.00 0.00 N ATOM 544 CA HIS A 38 -0.379 -11.471 -1.813 1.00 0.00 C ATOM 545 C HIS A 38 -0.087 -11.058 -0.378 1.00 0.00 C ATOM 546 O HIS A 38 -0.998 -10.897 0.432 1.00 0.00 O ATOM 547 CB HIS A 38 -0.594 -10.227 -2.670 1.00 0.00 C ATOM 548 CG HIS A 38 0.668 -9.467 -2.944 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.064 -8.236 -2.544 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.695 -9.967 -3.717 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 2.312 -8.017 -3.077 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.669 -9.076 -3.781 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.323 -12.069 -1.294 1.00 0.00 H new ATOM 0 HA HIS A 38 0.477 -12.025 -2.199 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.045 -10.521 -3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.304 -9.569 -2.170 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.702 -10.935 -4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.904 -7.124 -2.942 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.547 -9.187 -4.288 1.00 0.00 H new ATOM 561 N THR A 39 1.191 -10.891 -0.072 1.00 0.00 N ATOM 562 CA THR A 39 1.612 -10.495 1.267 1.00 0.00 C ATOM 563 C THR A 39 2.535 -9.280 1.218 1.00 0.00 C ATOM 564 O THR A 39 3.464 -9.226 0.413 1.00 0.00 O ATOM 565 CB THR A 39 2.322 -11.658 1.964 1.00 0.00 C ATOM 566 OG1 THR A 39 1.501 -12.813 1.972 1.00 0.00 O ATOM 567 CG2 THR A 39 2.701 -11.355 3.398 1.00 0.00 C ATOM 0 H THR A 39 1.957 -11.023 -0.733 1.00 0.00 H new ATOM 0 HA THR A 39 0.720 -10.226 1.833 1.00 0.00 H new ATOM 0 HB THR A 39 3.234 -11.825 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.972 -13.546 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.200 -12.221 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.374 -10.498 3.423 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.802 -11.128 3.972 1.00 0.00 H new ATOM 575 N VAL A 40 2.272 -8.307 2.087 1.00 0.00 N ATOM 576 CA VAL A 40 3.082 -7.094 2.146 1.00 0.00 C ATOM 577 C VAL A 40 3.636 -6.865 3.544 1.00 0.00 C ATOM 578 O VAL A 40 2.944 -7.065 4.540 1.00 0.00 O ATOM 579 CB VAL A 40 2.281 -5.837 1.748 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.141 -4.585 1.904 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.750 -5.956 0.327 1.00 0.00 C ATOM 0 H VAL A 40 1.505 -8.335 2.759 1.00 0.00 H new ATOM 0 HA VAL A 40 3.894 -7.248 1.436 1.00 0.00 H new ATOM 0 HB VAL A 40 1.425 -5.752 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.561 -3.707 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.459 -4.489 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.018 -4.664 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.189 -5.057 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.584 -6.072 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.095 -6.825 0.255 1.00 0.00 H new ATOM 591 N VAL A 41 4.878 -6.409 3.603 1.00 0.00 N ATOM 592 CA VAL A 41 5.511 -6.110 4.876 1.00 0.00 C ATOM 593 C VAL A 41 5.136 -4.690 5.295 1.00 0.00 C ATOM 594 O VAL A 41 5.446 -3.725 4.597 1.00 0.00 O ATOM 595 CB VAL A 41 7.047 -6.251 4.777 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.563 -5.576 3.516 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.739 -5.703 6.022 1.00 0.00 C ATOM 0 H VAL A 41 5.465 -6.239 2.786 1.00 0.00 H new ATOM 0 HA VAL A 41 5.160 -6.821 5.624 1.00 0.00 H new ATOM 0 HB VAL A 41 7.286 -7.313 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.646 -5.685 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.108 -6.041 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.305 -4.517 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.818 -5.818 5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.496 -4.647 6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.398 -6.252 6.899 1.00 0.00 H new ATOM 607 N LEU A 42 4.447 -4.573 6.423 1.00 0.00 N ATOM 608 CA LEU A 42 4.006 -3.275 6.916 1.00 0.00 C ATOM 609 C LEU A 42 5.154 -2.476 7.528 1.00 0.00 C ATOM 610 O LEU A 42 5.145 -1.247 7.513 1.00 0.00 O ATOM 611 CB LEU A 42 2.886 -3.454 7.941 1.00 0.00 C ATOM 612 CG LEU A 42 1.652 -4.194 7.425 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.607 -4.322 8.522 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.072 -3.481 6.213 1.00 0.00 C ATOM 0 H LEU A 42 4.182 -5.361 7.013 1.00 0.00 H new ATOM 0 HA LEU A 42 3.631 -2.710 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.283 -3.995 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.579 -2.471 8.297 1.00 0.00 H new ATOM 0 HG LEU A 42 1.954 -5.197 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.264 -4.851 8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.026 -4.877 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.308 -3.329 8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.194 -4.021 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.786 -2.466 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.819 -3.444 5.421 1.00 0.00 H new ATOM 626 N SER A 43 6.135 -3.181 8.081 1.00 0.00 N ATOM 627 CA SER A 43 7.281 -2.536 8.715 1.00 0.00 C ATOM 628 C SER A 43 7.989 -1.573 7.765 1.00 0.00 C ATOM 629 O SER A 43 8.691 -0.662 8.205 1.00 0.00 O ATOM 630 CB SER A 43 8.269 -3.588 9.219 1.00 0.00 C ATOM 631 OG SER A 43 9.527 -3.009 9.518 1.00 0.00 O ATOM 0 H SER A 43 6.160 -4.200 8.103 1.00 0.00 H new ATOM 0 HA SER A 43 6.904 -1.957 9.558 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.867 -4.071 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.393 -4.365 8.464 1.00 0.00 H new ATOM 0 HG SER A 43 10.139 -3.704 9.839 1.00 0.00 H new ATOM 637 N THR A 44 7.805 -1.775 6.467 1.00 0.00 N ATOM 638 CA THR A 44 8.435 -0.917 5.467 1.00 0.00 C ATOM 639 C THR A 44 7.490 0.190 5.017 1.00 0.00 C ATOM 640 O THR A 44 7.927 1.221 4.509 1.00 0.00 O ATOM 641 CB THR A 44 8.899 -1.738 4.256 1.00 0.00 C ATOM 642 OG1 THR A 44 7.990 -1.604 3.175 1.00 0.00 O ATOM 643 CG2 THR A 44 9.043 -3.212 4.547 1.00 0.00 C ATOM 0 H THR A 44 7.227 -2.522 6.081 1.00 0.00 H new ATOM 0 HA THR A 44 9.307 -0.457 5.932 1.00 0.00 H new ATOM 0 HB THR A 44 9.880 -1.336 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.306 -2.134 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.374 -3.730 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.777 -3.356 5.339 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.082 -3.616 4.865 1.00 0.00 H new ATOM 651 N ILE A 45 6.194 -0.031 5.200 1.00 0.00 N ATOM 652 CA ILE A 45 5.195 0.951 4.806 1.00 0.00 C ATOM 653 C ILE A 45 5.450 2.291 5.490 1.00 0.00 C ATOM 654 O ILE A 45 4.943 2.550 6.582 1.00 0.00 O ATOM 655 CB ILE A 45 3.768 0.467 5.134 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.487 -0.860 4.426 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.737 1.515 4.731 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.442 -0.744 2.918 1.00 0.00 C ATOM 0 H ILE A 45 5.812 -0.880 5.618 1.00 0.00 H new ATOM 0 HA ILE A 45 5.278 1.079 3.727 1.00 0.00 H new ATOM 0 HB ILE A 45 3.693 0.313 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.256 -1.581 4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.536 -1.257 4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.737 1.153 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.928 2.441 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.808 1.702 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.239 -1.723 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.654 -0.048 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.401 -0.377 2.553 1.00 0.00 H new ATOM 670 N ASP A 46 6.249 3.131 4.843 1.00 0.00 N ATOM 671 CA ASP A 46 6.588 4.442 5.385 1.00 0.00 C ATOM 672 C ASP A 46 5.420 5.414 5.268 1.00 0.00 C ATOM 673 O ASP A 46 5.301 6.348 6.059 1.00 0.00 O ATOM 674 CB ASP A 46 7.808 5.013 4.661 1.00 0.00 C ATOM 675 CG ASP A 46 8.706 5.812 5.583 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.600 5.637 6.815 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.516 6.616 5.074 1.00 0.00 O ATOM 0 H ASP A 46 6.676 2.927 3.939 1.00 0.00 H new ATOM 0 HA ASP A 46 6.819 4.313 6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.380 4.197 4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.475 5.650 3.841 1.00 0.00 H new ATOM 682 N LYS A 47 4.566 5.203 4.271 1.00 0.00 N ATOM 683 CA LYS A 47 3.424 6.082 4.060 1.00 0.00 C ATOM 684 C LYS A 47 2.183 5.305 3.641 1.00 0.00 C ATOM 685 O LYS A 47 2.269 4.303 2.931 1.00 0.00 O ATOM 686 CB LYS A 47 3.758 7.126 2.994 1.00 0.00 C ATOM 687 CG LYS A 47 4.634 8.254 3.502 1.00 0.00 C ATOM 688 CD LYS A 47 4.477 9.509 2.657 1.00 0.00 C ATOM 689 CE LYS A 47 3.149 10.199 2.926 1.00 0.00 C ATOM 690 NZ LYS A 47 2.993 11.439 2.117 1.00 0.00 N ATOM 0 H LYS A 47 4.643 4.437 3.602 1.00 0.00 H new ATOM 0 HA LYS A 47 3.209 6.576 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.260 6.634 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.830 7.545 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.377 8.477 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.677 7.937 3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.295 10.197 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.546 9.249 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.332 9.514 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.076 10.445 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.075 11.879 2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.758 12.104 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.037 11.201 1.105 1.00 0.00 H new ATOM 704 N LEU A 48 1.026 5.787 4.078 1.00 0.00 N ATOM 705 CA LEU A 48 -0.242 5.167 3.751 1.00 0.00 C ATOM 706 C LEU A 48 -1.230 6.236 3.281 1.00 0.00 C ATOM 707 O LEU A 48 -1.460 7.227 3.974 1.00 0.00 O ATOM 708 CB LEU A 48 -0.768 4.385 4.964 1.00 0.00 C ATOM 709 CG LEU A 48 -2.152 4.783 5.462 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.229 4.079 4.655 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.298 4.474 6.944 1.00 0.00 C ATOM 0 H LEU A 48 0.945 6.616 4.667 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.112 4.456 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.785 3.325 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.060 4.504 5.784 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.272 5.858 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.211 4.374 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.137 4.357 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.113 3.000 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.293 4.766 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.158 3.406 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.548 5.029 7.507 1.00 0.00 H new ATOM 723 N GLN A 49 -1.791 6.046 2.092 1.00 0.00 N ATOM 724 CA GLN A 49 -2.731 7.012 1.534 1.00 0.00 C ATOM 725 C GLN A 49 -4.034 6.345 1.111 1.00 0.00 C ATOM 726 O GLN A 49 -4.039 5.207 0.639 1.00 0.00 O ATOM 727 CB GLN A 49 -2.103 7.728 0.338 1.00 0.00 C ATOM 728 CG GLN A 49 -0.910 8.594 0.704 1.00 0.00 C ATOM 729 CD GLN A 49 -0.274 9.256 -0.503 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.529 8.866 -1.643 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.557 10.261 -0.259 1.00 0.00 N ATOM 0 H GLN A 49 -1.613 5.236 1.498 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.961 7.739 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.790 6.985 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.860 8.350 -0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.227 9.362 1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.165 7.982 1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.739 10.551 0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.014 10.744 -1.032 1.00 0.00 H new ATOM 740 N ALA A 50 -5.136 7.067 1.279 1.00 0.00 N ATOM 741 CA ALA A 50 -6.452 6.560 0.914 1.00 0.00 C ATOM 742 C ALA A 50 -7.234 7.602 0.121 1.00 0.00 C ATOM 743 O ALA A 50 -6.960 8.799 0.216 1.00 0.00 O ATOM 744 CB ALA A 50 -7.224 6.154 2.159 1.00 0.00 C ATOM 0 H ALA A 50 -5.143 8.010 1.668 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.317 5.682 0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.206 5.777 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.677 5.374 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.344 7.019 2.811 1.00 0.00 H new ATOM 750 N THR A 51 -8.206 7.144 -0.659 1.00 0.00 N ATOM 751 CA THR A 51 -9.023 8.046 -1.464 1.00 0.00 C ATOM 752 C THR A 51 -10.041 8.775 -0.586 1.00 0.00 C ATOM 753 O THR A 51 -10.707 8.158 0.245 1.00 0.00 O ATOM 754 CB THR A 51 -9.740 7.271 -2.571 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.501 6.207 -2.028 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.795 6.683 -3.599 1.00 0.00 C ATOM 0 H THR A 51 -8.448 6.157 -0.752 1.00 0.00 H new ATOM 0 HA THR A 51 -8.367 8.786 -1.923 1.00 0.00 H new ATOM 0 HB THR A 51 -10.381 8.001 -3.066 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.365 6.156 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.368 6.147 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.229 7.485 -4.073 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.107 5.994 -3.109 1.00 0.00 H new ATOM 764 N PRO A 52 -10.173 10.105 -0.754 1.00 0.00 N ATOM 765 CA PRO A 52 -11.113 10.913 0.033 1.00 0.00 C ATOM 766 C PRO A 52 -12.561 10.477 -0.158 1.00 0.00 C ATOM 767 O PRO A 52 -12.916 9.898 -1.185 1.00 0.00 O ATOM 768 CB PRO A 52 -10.908 12.337 -0.497 1.00 0.00 C ATOM 769 CG PRO A 52 -10.251 12.169 -1.825 1.00 0.00 C ATOM 770 CD PRO A 52 -9.418 10.925 -1.718 1.00 0.00 C ATOM 0 HA PRO A 52 -10.926 10.815 1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.858 12.863 -0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.285 12.923 0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.992 12.075 -2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.633 13.033 -2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.315 10.424 -2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.411 11.142 -1.362 1.00 0.00 H new ATOM 778 N ALA A 53 -13.394 10.760 0.838 1.00 0.00 N ATOM 779 CA ALA A 53 -14.804 10.399 0.784 1.00 0.00 C ATOM 780 C ALA A 53 -15.509 11.105 -0.369 1.00 0.00 C ATOM 781 O ALA A 53 -16.303 10.499 -1.088 1.00 0.00 O ATOM 782 CB ALA A 53 -15.485 10.732 2.103 1.00 0.00 C ATOM 0 H ALA A 53 -13.115 11.240 1.694 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.871 9.325 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -16.538 10.457 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.006 10.177 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.399 11.801 2.297 1.00 0.00 H new ATOM 788 N SER A 54 -15.210 12.389 -0.544 1.00 0.00 N ATOM 789 CA SER A 54 -15.815 13.175 -1.613 1.00 0.00 C ATOM 790 C SER A 54 -15.520 12.553 -2.974 1.00 0.00 C ATOM 791 O SER A 54 -16.289 12.705 -3.922 1.00 0.00 O ATOM 792 CB SER A 54 -15.302 14.615 -1.575 1.00 0.00 C ATOM 793 OG SER A 54 -15.526 15.201 -0.305 1.00 0.00 O ATOM 0 H SER A 54 -14.553 12.906 0.040 1.00 0.00 H new ATOM 0 HA SER A 54 -16.894 13.181 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.236 14.631 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.802 15.203 -2.344 1.00 0.00 H new ATOM 0 HG SER A 54 -15.188 16.121 -0.305 1.00 0.00 H new ATOM 799 N SER A 55 -14.400 11.846 -3.054 1.00 0.00 N ATOM 800 CA SER A 55 -13.990 11.192 -4.284 1.00 0.00 C ATOM 801 C SER A 55 -14.703 9.860 -4.451 1.00 0.00 C ATOM 802 O SER A 55 -14.562 8.958 -3.623 1.00 0.00 O ATOM 803 CB SER A 55 -12.475 10.978 -4.292 1.00 0.00 C ATOM 804 OG SER A 55 -12.074 10.225 -5.422 1.00 0.00 O ATOM 0 H SER A 55 -13.757 11.712 -2.274 1.00 0.00 H new ATOM 0 HA SER A 55 -14.262 11.837 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.968 11.943 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.172 10.462 -3.381 1.00 0.00 H new ATOM 0 HG SER A 55 -11.983 10.819 -6.196 1.00 0.00 H new ATOM 810 N GLU A 56 -15.458 9.735 -5.536 1.00 0.00 N ATOM 811 CA GLU A 56 -16.180 8.503 -5.822 1.00 0.00 C ATOM 812 C GLU A 56 -15.216 7.322 -5.881 1.00 0.00 C ATOM 813 O GLU A 56 -15.626 6.166 -5.773 1.00 0.00 O ATOM 814 CB GLU A 56 -16.937 8.625 -7.145 1.00 0.00 C ATOM 815 CG GLU A 56 -18.011 9.701 -7.134 1.00 0.00 C ATOM 816 CD GLU A 56 -18.792 9.761 -8.433 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.351 9.135 -9.420 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.845 10.431 -8.462 1.00 0.00 O ATOM 0 H GLU A 56 -15.586 10.471 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.897 8.331 -5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.226 8.841 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.398 7.666 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.699 9.514 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.547 10.670 -6.948 1.00 0.00 H new ATOM 825 N LYS A 57 -13.931 7.625 -6.053 1.00 0.00 N ATOM 826 CA LYS A 57 -12.906 6.591 -6.125 1.00 0.00 C ATOM 827 C LYS A 57 -12.856 5.782 -4.833 1.00 0.00 C ATOM 828 O LYS A 57 -13.152 6.297 -3.753 1.00 0.00 O ATOM 829 CB LYS A 57 -11.538 7.217 -6.404 1.00 0.00 C ATOM 830 CG LYS A 57 -11.539 8.188 -7.576 1.00 0.00 C ATOM 831 CD LYS A 57 -12.095 7.543 -8.835 1.00 0.00 C ATOM 832 CE LYS A 57 -11.746 8.351 -10.075 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.833 9.299 -10.446 1.00 0.00 N ATOM 0 H LYS A 57 -13.577 8.577 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.162 5.918 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.198 7.740 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.818 6.423 -6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.134 9.065 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.523 8.535 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.697 6.533 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.178 7.453 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.825 8.906 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.555 7.674 -10.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.555 9.830 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.706 8.768 -10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.998 9.962 -9.662 1.00 0.00 H new ATOM 847 N MET A 58 -12.485 4.512 -4.951 1.00 0.00 N ATOM 848 CA MET A 58 -12.397 3.624 -3.796 1.00 0.00 C ATOM 849 C MET A 58 -11.093 2.833 -3.823 1.00 0.00 C ATOM 850 O MET A 58 -11.074 1.671 -4.230 1.00 0.00 O ATOM 851 CB MET A 58 -13.585 2.661 -3.785 1.00 0.00 C ATOM 852 CG MET A 58 -14.924 3.336 -4.042 1.00 0.00 C ATOM 853 SD MET A 58 -15.727 3.884 -2.524 1.00 0.00 S ATOM 854 CE MET A 58 -15.804 2.346 -1.612 1.00 0.00 C ATOM 0 H MET A 58 -12.239 4.072 -5.838 1.00 0.00 H new ATOM 0 HA MET A 58 -12.417 4.233 -2.892 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.425 1.892 -4.541 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.622 2.156 -2.820 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.775 4.193 -4.699 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.581 2.643 -4.567 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.837 2.140 -1.333 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.427 1.535 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.194 2.426 -0.712 1.00 0.00 H new ATOM 864 N MET A 59 -10.001 3.465 -3.398 1.00 0.00 N ATOM 865 CA MET A 59 -8.700 2.805 -3.391 1.00 0.00 C ATOM 866 C MET A 59 -7.819 3.288 -2.242 1.00 0.00 C ATOM 867 O MET A 59 -8.128 4.277 -1.577 1.00 0.00 O ATOM 868 CB MET A 59 -7.981 3.050 -4.718 1.00 0.00 C ATOM 869 CG MET A 59 -8.405 2.102 -5.831 1.00 0.00 C ATOM 870 SD MET A 59 -8.755 2.956 -7.381 1.00 0.00 S ATOM 871 CE MET A 59 -7.451 4.183 -7.397 1.00 0.00 C ATOM 0 H MET A 59 -9.992 4.426 -3.057 1.00 0.00 H new ATOM 0 HA MET A 59 -8.879 1.739 -3.253 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.166 4.076 -5.037 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.907 2.954 -4.561 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.617 1.367 -5.996 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.292 1.553 -5.516 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.000 4.222 -8.388 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.867 5.160 -7.149 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.691 3.916 -6.663 1.00 0.00 H new ATOM 881 N LEU A 60 -6.714 2.580 -2.031 1.00 0.00 N ATOM 882 CA LEU A 60 -5.759 2.914 -0.981 1.00 0.00 C ATOM 883 C LEU A 60 -4.340 2.609 -1.454 1.00 0.00 C ATOM 884 O LEU A 60 -4.077 1.531 -1.988 1.00 0.00 O ATOM 885 CB LEU A 60 -6.076 2.131 0.296 1.00 0.00 C ATOM 886 CG LEU A 60 -6.057 2.955 1.583 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.023 2.375 2.604 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.649 3.019 2.154 1.00 0.00 C ATOM 0 H LEU A 60 -6.456 1.761 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.835 3.978 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.060 1.675 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.357 1.318 0.393 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.378 3.969 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.995 2.975 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.033 2.383 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.734 1.350 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.654 3.610 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.300 2.010 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.982 3.483 1.427 1.00 0.00 H new ATOM 900 N ARG A 61 -3.432 3.566 -1.281 1.00 0.00 N ATOM 901 CA ARG A 61 -2.051 3.388 -1.719 1.00 0.00 C ATOM 902 C ARG A 61 -1.075 3.336 -0.545 1.00 0.00 C ATOM 903 O ARG A 61 -1.115 4.178 0.351 1.00 0.00 O ATOM 904 CB ARG A 61 -1.654 4.522 -2.667 1.00 0.00 C ATOM 905 CG ARG A 61 -0.575 4.136 -3.665 1.00 0.00 C ATOM 906 CD ARG A 61 0.804 4.556 -3.184 1.00 0.00 C ATOM 907 NE ARG A 61 0.996 6.002 -3.267 1.00 0.00 N ATOM 908 CZ ARG A 61 1.290 6.648 -4.393 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.425 5.981 -5.533 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.448 7.964 -4.379 1.00 0.00 N ATOM 0 H ARG A 61 -3.626 4.467 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.996 2.431 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.538 4.854 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.305 5.370 -2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.593 3.058 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.784 4.603 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.943 4.230 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.565 4.054 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 61 0.899 6.549 -2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.303 4.968 -5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.650 6.481 -6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.344 8.481 -3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.673 8.460 -5.241 1.00 0.00 H new ATOM 924 N LEU A 62 -0.190 2.341 -0.572 1.00 0.00 N ATOM 925 CA LEU A 62 0.818 2.169 0.472 1.00 0.00 C ATOM 926 C LEU A 62 2.207 2.476 -0.080 1.00 0.00 C ATOM 927 O LEU A 62 2.520 2.115 -1.215 1.00 0.00 O ATOM 928 CB LEU A 62 0.791 0.732 1.010 1.00 0.00 C ATOM 929 CG LEU A 62 -0.446 0.330 1.827 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.639 1.226 1.517 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.796 -1.128 1.562 1.00 0.00 C ATOM 0 H LEU A 62 -0.151 1.638 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 62 0.591 2.860 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.878 0.049 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.674 0.584 1.632 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.205 0.455 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.495 0.911 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.390 2.260 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.887 1.149 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.674 -1.403 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.008 -1.264 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.043 -1.762 1.849 1.00 0.00 H new ATOM 943 N ILE A 63 3.041 3.135 0.718 1.00 0.00 N ATOM 944 CA ILE A 63 4.394 3.471 0.285 1.00 0.00 C ATOM 945 C ILE A 63 5.437 2.688 1.070 1.00 0.00 C ATOM 946 O ILE A 63 5.438 2.699 2.300 1.00 0.00 O ATOM 947 CB ILE A 63 4.709 4.975 0.432 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.437 5.824 0.352 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.705 5.399 -0.635 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.603 5.576 -0.876 1.00 0.00 C ATOM 0 H ILE A 63 2.807 3.445 1.661 1.00 0.00 H new ATOM 0 HA ILE A 63 4.438 3.204 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 63 5.148 5.138 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.829 5.630 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.715 6.878 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.924 6.461 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.625 4.826 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.281 5.215 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.722 6.217 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.191 5.799 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.291 4.532 -0.899 1.00 0.00 H new ATOM 962 N GLY A 64 6.329 2.018 0.351 1.00 0.00 N ATOM 963 CA GLY A 64 7.372 1.246 0.997 1.00 0.00 C ATOM 964 C GLY A 64 8.653 2.041 1.166 1.00 0.00 C ATOM 965 O GLY A 64 9.147 2.642 0.213 1.00 0.00 O ATOM 0 H GLY A 64 6.348 1.996 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.022 0.912 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.577 0.351 0.409 1.00 0.00 H new ATOM 969 N LYS A 65 9.190 2.043 2.384 1.00 0.00 N ATOM 970 CA LYS A 65 10.422 2.770 2.687 1.00 0.00 C ATOM 971 C LYS A 65 11.476 2.556 1.604 1.00 0.00 C ATOM 972 O LYS A 65 11.568 1.477 1.017 1.00 0.00 O ATOM 973 CB LYS A 65 10.978 2.326 4.042 1.00 0.00 C ATOM 974 CG LYS A 65 10.351 3.044 5.225 1.00 0.00 C ATOM 975 CD LYS A 65 11.021 2.653 6.533 1.00 0.00 C ATOM 976 CE LYS A 65 10.349 3.320 7.722 1.00 0.00 C ATOM 977 NZ LYS A 65 10.294 2.417 8.906 1.00 0.00 N ATOM 0 H LYS A 65 8.790 1.547 3.181 1.00 0.00 H new ATOM 0 HA LYS A 65 10.180 3.832 2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.821 1.253 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.055 2.494 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.431 4.122 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.288 2.807 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.984 1.570 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.073 2.935 6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.891 4.229 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.338 3.620 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.829 2.908 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.755 1.561 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.260 2.151 9.185 1.00 0.00 H new ATOM 991 N VAL A 66 12.271 3.591 1.348 1.00 0.00 N ATOM 992 CA VAL A 66 13.321 3.518 0.338 1.00 0.00 C ATOM 993 C VAL A 66 14.699 3.710 0.972 1.00 0.00 C ATOM 994 O VAL A 66 14.861 3.571 2.184 1.00 0.00 O ATOM 995 CB VAL A 66 13.094 4.564 -0.783 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.692 5.917 -0.417 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.646 4.063 -2.112 1.00 0.00 C ATOM 0 H VAL A 66 12.208 4.490 1.826 1.00 0.00 H new ATOM 0 HA VAL A 66 13.280 2.525 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 66 12.018 4.702 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.513 6.625 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.226 6.286 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.765 5.810 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.475 4.814 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.716 3.879 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.142 3.137 -2.389 1.00 0.00 H new ATOM 1007 N ASP A 67 15.684 4.031 0.143 1.00 0.00 N ATOM 1008 CA ASP A 67 17.046 4.247 0.610 1.00 0.00 C ATOM 1009 C ASP A 67 17.955 4.630 -0.553 1.00 0.00 C ATOM 1010 O ASP A 67 19.020 4.041 -0.746 1.00 0.00 O ATOM 1011 CB ASP A 67 17.578 2.988 1.301 1.00 0.00 C ATOM 1012 CG ASP A 67 18.582 3.308 2.392 1.00 0.00 C ATOM 1013 OD1 ASP A 67 19.257 4.355 2.289 1.00 0.00 O ATOM 1014 OD2 ASP A 67 18.694 2.513 3.349 1.00 0.00 O ATOM 0 H ASP A 67 15.563 4.148 -0.863 1.00 0.00 H new ATOM 0 HA ASP A 67 17.037 5.066 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.744 2.432 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.045 2.340 0.560 1.00 0.00 H new ATOM 1019 N GLU A 68 17.524 5.616 -1.332 1.00 0.00 N ATOM 1020 CA GLU A 68 18.294 6.075 -2.481 1.00 0.00 C ATOM 1021 C GLU A 68 19.688 6.530 -2.068 1.00 0.00 C ATOM 1022 O GLU A 68 20.611 6.551 -2.883 1.00 0.00 O ATOM 1023 CB GLU A 68 17.560 7.215 -3.193 1.00 0.00 C ATOM 1024 CG GLU A 68 16.224 6.800 -3.787 1.00 0.00 C ATOM 1025 CD GLU A 68 15.548 7.924 -4.548 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.998 9.083 -4.419 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.570 7.647 -5.274 1.00 0.00 O ATOM 0 H GLU A 68 16.645 6.113 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 68 18.401 5.235 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.397 8.029 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.196 7.605 -3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.376 5.953 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.565 6.460 -2.988 1.00 0.00 H new ATOM 1034 N SER A 69 19.837 6.884 -0.800 1.00 0.00 N ATOM 1035 CA SER A 69 21.123 7.329 -0.279 1.00 0.00 C ATOM 1036 C SER A 69 22.170 6.221 -0.389 1.00 0.00 C ATOM 1037 O SER A 69 23.369 6.478 -0.280 1.00 0.00 O ATOM 1038 CB SER A 69 20.982 7.772 1.178 1.00 0.00 C ATOM 1039 OG SER A 69 22.188 8.341 1.658 1.00 0.00 O ATOM 0 H SER A 69 19.084 6.872 -0.112 1.00 0.00 H new ATOM 0 HA SER A 69 21.455 8.177 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.174 8.499 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.708 6.917 1.796 1.00 0.00 H new ATOM 0 HG SER A 69 22.949 7.942 1.186 1.00 0.00 H new ATOM 1045 N LYS A 70 21.710 4.989 -0.601 1.00 0.00 N ATOM 1046 CA LYS A 70 22.612 3.849 -0.722 1.00 0.00 C ATOM 1047 C LYS A 70 23.413 3.918 -2.018 1.00 0.00 C ATOM 1048 O LYS A 70 24.602 3.599 -2.042 1.00 0.00 O ATOM 1049 CB LYS A 70 21.823 2.541 -0.664 1.00 0.00 C ATOM 1050 CG LYS A 70 21.114 2.319 0.663 1.00 0.00 C ATOM 1051 CD LYS A 70 21.281 0.890 1.153 1.00 0.00 C ATOM 1052 CE LYS A 70 20.557 0.665 2.471 1.00 0.00 C ATOM 1053 NZ LYS A 70 21.068 -0.536 3.188 1.00 0.00 N ATOM 0 H LYS A 70 20.721 4.757 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 70 23.311 3.882 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 70 21.085 2.535 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.501 1.708 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.511 3.009 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.053 2.545 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.896 0.200 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.341 0.668 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.676 1.544 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.490 0.549 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.549 -0.654 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.932 -1.379 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.081 -0.415 3.390 1.00 0.00 H new ATOM 1067 N LYS A 71 22.752 4.331 -3.096 1.00 0.00 N ATOM 1068 CA LYS A 71 23.405 4.437 -4.395 1.00 0.00 C ATOM 1069 C LYS A 71 23.934 3.080 -4.848 1.00 0.00 C ATOM 1070 O LYS A 71 25.068 2.711 -4.539 1.00 0.00 O ATOM 1071 CB LYS A 71 24.547 5.451 -4.335 1.00 0.00 C ATOM 1072 CG LYS A 71 24.099 6.849 -3.936 1.00 0.00 C ATOM 1073 CD LYS A 71 24.743 7.913 -4.810 1.00 0.00 C ATOM 1074 CE LYS A 71 26.239 8.011 -4.555 1.00 0.00 C ATOM 1075 NZ LYS A 71 26.901 8.953 -5.501 1.00 0.00 N ATOM 0 H LYS A 71 21.767 4.597 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 71 22.666 4.779 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 71 25.295 5.101 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 71 25.032 5.498 -5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 71 23.014 6.920 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.356 7.030 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.566 7.679 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.275 8.878 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 71 26.412 8.342 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 71 26.690 7.023 -4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 27.685 9.436 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 27.270 8.424 -6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 26.210 9.658 -5.830 1.00 0.00 H new ATOM 1089 N ARG A 72 23.107 2.340 -5.580 1.00 0.00 N ATOM 1090 CA ARG A 72 23.491 1.023 -6.073 1.00 0.00 C ATOM 1091 C ARG A 72 24.053 1.111 -7.487 1.00 0.00 C ATOM 1092 O ARG A 72 23.591 1.911 -8.300 1.00 0.00 O ATOM 1093 CB ARG A 72 22.289 0.076 -6.047 1.00 0.00 C ATOM 1094 CG ARG A 72 21.975 -0.468 -4.663 1.00 0.00 C ATOM 1095 CD ARG A 72 23.002 -1.497 -4.225 1.00 0.00 C ATOM 1096 NE ARG A 72 22.652 -2.112 -2.946 1.00 0.00 N ATOM 1097 CZ ARG A 72 22.881 -1.545 -1.763 1.00 0.00 C ATOM 1098 NH1 ARG A 72 23.456 -0.352 -1.691 1.00 0.00 N ATOM 1099 NH2 ARG A 72 22.532 -2.174 -0.649 1.00 0.00 N ATOM 0 H ARG A 72 22.166 2.631 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 72 24.269 0.631 -5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 72 21.414 0.602 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.479 -0.758 -6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.951 0.352 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.983 -0.920 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 72 23.087 -2.271 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 72 23.979 -1.021 -4.143 1.00 0.00 H new ATOM 0 HE ARG A 72 22.206 -3.029 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.726 0.137 -2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.629 0.077 -0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 72 22.089 -3.091 -0.699 1.00 0.00 H new ATOM 0 HH22 ARG A 72 22.707 -1.741 0.258 1.00 0.00 H new ATOM 1113 N LYS A 73 25.051 0.281 -7.775 1.00 0.00 N ATOM 1114 CA LYS A 73 25.675 0.266 -9.094 1.00 0.00 C ATOM 1115 C LYS A 73 24.940 -0.685 -10.033 1.00 0.00 C ATOM 1116 O LYS A 73 24.428 -1.722 -9.609 1.00 0.00 O ATOM 1117 CB LYS A 73 27.144 -0.144 -8.984 1.00 0.00 C ATOM 1118 CG LYS A 73 27.993 0.835 -8.189 1.00 0.00 C ATOM 1119 CD LYS A 73 28.542 1.940 -9.076 1.00 0.00 C ATOM 1120 CE LYS A 73 29.635 2.729 -8.372 1.00 0.00 C ATOM 1121 NZ LYS A 73 30.436 3.544 -9.326 1.00 0.00 N ATOM 0 H LYS A 73 25.444 -0.389 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 73 25.616 1.274 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 73 27.204 -1.127 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 73 27.561 -0.242 -9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 73 27.395 1.272 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 73 28.818 0.303 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 73 28.938 1.507 -9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 73 27.734 2.613 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 73 29.186 3.383 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 73 30.293 2.042 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 30.801 4.388 -8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 31.233 2.978 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 29.835 3.836 -10.123 1.00 0.00 H new ATOM 1135 N ASP A 74 24.893 -0.324 -11.310 1.00 0.00 N ATOM 1136 CA ASP A 74 24.221 -1.142 -12.313 1.00 0.00 C ATOM 1137 C ASP A 74 25.210 -2.072 -13.008 1.00 0.00 C ATOM 1138 O ASP A 74 26.417 -1.984 -12.791 1.00 0.00 O ATOM 1139 CB ASP A 74 23.527 -0.253 -13.346 1.00 0.00 C ATOM 1140 CG ASP A 74 22.311 -0.918 -13.960 1.00 0.00 C ATOM 1141 OD1 ASP A 74 21.257 -0.960 -13.290 1.00 0.00 O ATOM 1142 OD2 ASP A 74 22.412 -1.397 -15.108 1.00 0.00 O ATOM 0 H ASP A 74 25.313 0.531 -11.676 1.00 0.00 H new ATOM 0 HA ASP A 74 23.472 -1.750 -11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 74 23.226 0.682 -12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 74 24.235 0.003 -14.135 1.00 0.00 H new ATOM 1147 N ASN A 75 24.687 -2.963 -13.843 1.00 0.00 N ATOM 1148 CA ASN A 75 25.520 -3.912 -14.571 1.00 0.00 C ATOM 1149 C ASN A 75 26.520 -3.191 -15.475 1.00 0.00 C ATOM 1150 O ASN A 75 27.530 -3.766 -15.879 1.00 0.00 O ATOM 1151 CB ASN A 75 24.651 -4.853 -15.405 1.00 0.00 C ATOM 1152 CG ASN A 75 23.755 -5.725 -14.547 1.00 0.00 C ATOM 1153 OD1 ASN A 75 23.975 -5.864 -13.344 1.00 0.00 O ATOM 1154 ND2 ASN A 75 22.737 -6.315 -15.163 1.00 0.00 N ATOM 0 H ASN A 75 23.688 -3.048 -14.032 1.00 0.00 H new ATOM 0 HA ASN A 75 26.078 -4.495 -13.838 1.00 0.00 H new ATOM 0 HB2 ASN A 75 24.036 -4.266 -16.088 1.00 0.00 H new ATOM 0 HB3 ASN A 75 25.292 -5.487 -16.018 1.00 0.00 H new ATOM 0 HD21 ASN A 75 22.099 -6.912 -14.637 1.00 0.00 H new ATOM 0 HD22 ASN A 75 22.593 -6.171 -16.162 1.00 0.00 H new ATOM 1161 N GLU A 76 26.233 -1.931 -15.786 1.00 0.00 N ATOM 1162 CA GLU A 76 27.109 -1.138 -16.640 1.00 0.00 C ATOM 1163 C GLU A 76 28.210 -0.454 -15.829 1.00 0.00 C ATOM 1164 O GLU A 76 28.992 0.328 -16.367 1.00 0.00 O ATOM 1165 CB GLU A 76 26.297 -0.088 -17.401 1.00 0.00 C ATOM 1166 CG GLU A 76 25.365 -0.682 -18.444 1.00 0.00 C ATOM 1167 CD GLU A 76 26.111 -1.300 -19.610 1.00 0.00 C ATOM 1168 OE1 GLU A 76 27.308 -0.987 -19.783 1.00 0.00 O ATOM 1169 OE2 GLU A 76 25.499 -2.099 -20.351 1.00 0.00 O ATOM 0 H GLU A 76 25.402 -1.438 -15.460 1.00 0.00 H new ATOM 0 HA GLU A 76 27.582 -1.816 -17.351 1.00 0.00 H new ATOM 0 HB2 GLU A 76 25.710 0.492 -16.689 1.00 0.00 H new ATOM 0 HB3 GLU A 76 26.982 0.605 -17.890 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.738 -1.441 -17.975 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.699 0.097 -18.816 1.00 0.00 H new ATOM 1176 N GLY A 77 28.267 -0.752 -14.532 1.00 0.00 N ATOM 1177 CA GLY A 77 29.277 -0.153 -13.681 1.00 0.00 C ATOM 1178 C GLY A 77 28.948 1.279 -13.305 1.00 0.00 C ATOM 1179 O GLY A 77 29.814 2.016 -12.832 1.00 0.00 O ATOM 0 H GLY A 77 27.633 -1.396 -14.059 1.00 0.00 H new ATOM 0 HA2 GLY A 77 29.382 -0.748 -12.774 1.00 0.00 H new ATOM 0 HA3 GLY A 77 30.239 -0.179 -14.192 1.00 0.00 H new ATOM 1183 N ASN A 78 27.696 1.680 -13.515 1.00 0.00 N ATOM 1184 CA ASN A 78 27.265 3.035 -13.191 1.00 0.00 C ATOM 1185 C ASN A 78 26.287 3.032 -12.022 1.00 0.00 C ATOM 1186 O ASN A 78 25.478 2.117 -11.880 1.00 0.00 O ATOM 1187 CB ASN A 78 26.618 3.696 -14.407 1.00 0.00 C ATOM 1188 CG ASN A 78 27.562 3.783 -15.589 1.00 0.00 C ATOM 1189 OD1 ASN A 78 28.552 4.516 -15.557 1.00 0.00 O ATOM 1190 ND2 ASN A 78 27.261 3.033 -16.643 1.00 0.00 N ATOM 0 H ASN A 78 26.965 1.087 -13.907 1.00 0.00 H new ATOM 0 HA ASN A 78 28.147 3.607 -12.903 1.00 0.00 H new ATOM 0 HB2 ASN A 78 25.731 3.131 -14.695 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.284 4.698 -14.138 1.00 0.00 H new ATOM 0 HD21 ASN A 78 27.860 3.050 -17.469 1.00 0.00 H new ATOM 0 HD22 ASN A 78 26.431 2.440 -16.627 1.00 0.00 H new ATOM 1197 N GLU A 79 26.370 4.061 -11.189 1.00 0.00 N ATOM 1198 CA GLU A 79 25.493 4.178 -10.029 1.00 0.00 C ATOM 1199 C GLU A 79 24.068 4.516 -10.452 1.00 0.00 C ATOM 1200 O GLU A 79 23.850 5.201 -11.450 1.00 0.00 O ATOM 1201 CB GLU A 79 26.019 5.248 -9.071 1.00 0.00 C ATOM 1202 CG GLU A 79 27.373 4.914 -8.468 1.00 0.00 C ATOM 1203 CD GLU A 79 27.856 5.971 -7.494 1.00 0.00 C ATOM 1204 OE1 GLU A 79 27.290 7.084 -7.496 1.00 0.00 O ATOM 1205 OE2 GLU A 79 28.805 5.687 -6.733 1.00 0.00 O ATOM 0 H GLU A 79 27.035 4.827 -11.294 1.00 0.00 H new ATOM 0 HA GLU A 79 25.481 3.215 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 79 26.092 6.196 -9.604 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.297 5.389 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 79 27.311 3.954 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 79 28.105 4.801 -9.268 1.00 0.00 H new ATOM 1212 N VAL A 80 23.102 4.028 -9.681 1.00 0.00 N ATOM 1213 CA VAL A 80 21.695 4.274 -9.969 1.00 0.00 C ATOM 1214 C VAL A 80 20.960 4.754 -8.724 1.00 0.00 C ATOM 1215 O VAL A 80 21.403 4.516 -7.601 1.00 0.00 O ATOM 1216 CB VAL A 80 20.990 3.007 -10.514 1.00 0.00 C ATOM 1217 CG1 VAL A 80 21.916 2.233 -11.440 1.00 0.00 C ATOM 1218 CG2 VAL A 80 20.496 2.112 -9.376 1.00 0.00 C ATOM 0 H VAL A 80 23.269 3.459 -8.851 1.00 0.00 H new ATOM 0 HA VAL A 80 21.663 5.049 -10.734 1.00 0.00 H new ATOM 0 HB VAL A 80 20.120 3.331 -11.086 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.401 1.347 -11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.202 2.866 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 80 22.809 1.931 -10.892 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.006 1.232 -9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.343 1.801 -8.764 1.00 0.00 H new ATOM 0 HG23 VAL A 80 19.787 2.665 -8.760 1.00 0.00 H new ATOM 1228 N VAL A 81 19.828 5.412 -8.932 1.00 0.00 N ATOM 1229 CA VAL A 81 19.020 5.899 -7.826 1.00 0.00 C ATOM 1230 C VAL A 81 17.807 4.995 -7.637 1.00 0.00 C ATOM 1231 O VAL A 81 16.814 5.119 -8.355 1.00 0.00 O ATOM 1232 CB VAL A 81 18.544 7.345 -8.065 1.00 0.00 C ATOM 1233 CG1 VAL A 81 17.813 7.876 -6.842 1.00 0.00 C ATOM 1234 CG2 VAL A 81 19.720 8.242 -8.423 1.00 0.00 C ATOM 0 H VAL A 81 19.450 5.620 -9.856 1.00 0.00 H new ATOM 0 HA VAL A 81 19.641 5.887 -6.930 1.00 0.00 H new ATOM 0 HB VAL A 81 17.848 7.345 -8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.485 8.898 -7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.946 7.248 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.484 7.863 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.365 9.259 -8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 81 20.442 8.238 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 81 20.197 7.872 -9.331 1.00 0.00 H new ATOM 1244 N PRO A 82 17.873 4.054 -6.677 1.00 0.00 N ATOM 1245 CA PRO A 82 16.778 3.119 -6.419 1.00 0.00 C ATOM 1246 C PRO A 82 15.422 3.813 -6.363 1.00 0.00 C ATOM 1247 O PRO A 82 15.342 5.031 -6.206 1.00 0.00 O ATOM 1248 CB PRO A 82 17.135 2.530 -5.058 1.00 0.00 C ATOM 1249 CG PRO A 82 18.621 2.594 -4.998 1.00 0.00 C ATOM 1250 CD PRO A 82 19.022 3.816 -5.780 1.00 0.00 C ATOM 0 HA PRO A 82 16.680 2.375 -7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.681 3.101 -4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.778 1.504 -4.964 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.966 2.662 -3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 82 19.067 1.695 -5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 82 19.201 4.669 -5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 82 19.940 3.647 -6.343 1.00 0.00 H new ATOM 1258 N LYS A 83 14.355 3.031 -6.492 1.00 0.00 N ATOM 1259 CA LYS A 83 13.003 3.574 -6.454 1.00 0.00 C ATOM 1260 C LYS A 83 12.222 2.999 -5.274 1.00 0.00 C ATOM 1261 O LYS A 83 12.392 1.836 -4.909 1.00 0.00 O ATOM 1262 CB LYS A 83 12.283 3.295 -7.784 1.00 0.00 C ATOM 1263 CG LYS A 83 10.901 2.670 -7.639 1.00 0.00 C ATOM 1264 CD LYS A 83 10.208 2.534 -8.985 1.00 0.00 C ATOM 1265 CE LYS A 83 9.382 1.259 -9.059 1.00 0.00 C ATOM 1266 NZ LYS A 83 7.945 1.511 -8.766 1.00 0.00 N ATOM 0 H LYS A 83 14.401 2.021 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 83 13.063 4.654 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.188 4.231 -8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.905 2.633 -8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.991 1.688 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.291 3.282 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.563 3.397 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.953 2.533 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.479 0.821 -10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.775 0.530 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.416 0.617 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.850 1.905 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.563 2.187 -9.458 1.00 0.00 H new ATOM 1280 N PRO A 84 11.366 3.825 -4.653 1.00 0.00 N ATOM 1281 CA PRO A 84 10.560 3.431 -3.496 1.00 0.00 C ATOM 1282 C PRO A 84 9.410 2.504 -3.869 1.00 0.00 C ATOM 1283 O PRO A 84 8.855 2.596 -4.964 1.00 0.00 O ATOM 1284 CB PRO A 84 10.025 4.765 -2.962 1.00 0.00 C ATOM 1285 CG PRO A 84 10.829 5.802 -3.667 1.00 0.00 C ATOM 1286 CD PRO A 84 11.122 5.223 -5.005 1.00 0.00 C ATOM 0 HA PRO A 84 11.146 2.869 -2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.961 4.878 -3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.146 4.837 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.276 6.737 -3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.748 6.025 -3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.286 5.335 -5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.989 5.688 -5.475 1.00 0.00 H new ATOM 1294 N GLN A 85 9.051 1.611 -2.952 1.00 0.00 N ATOM 1295 CA GLN A 85 7.961 0.671 -3.185 1.00 0.00 C ATOM 1296 C GLN A 85 6.611 1.362 -3.037 1.00 0.00 C ATOM 1297 O GLN A 85 6.463 2.293 -2.245 1.00 0.00 O ATOM 1298 CB GLN A 85 8.055 -0.506 -2.211 1.00 0.00 C ATOM 1299 CG GLN A 85 8.901 -1.658 -2.730 1.00 0.00 C ATOM 1300 CD GLN A 85 9.017 -2.791 -1.729 1.00 0.00 C ATOM 1301 OE1 GLN A 85 8.126 -3.633 -1.621 1.00 0.00 O ATOM 1302 NE2 GLN A 85 10.121 -2.817 -0.990 1.00 0.00 N ATOM 0 H GLN A 85 9.499 1.519 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 85 8.049 0.295 -4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.474 -0.154 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.051 -0.871 -1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.465 -2.037 -3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.898 -1.291 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.834 -2.098 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.255 -3.556 -0.300 1.00 0.00 H new ATOM 1311 N ARG A 86 5.628 0.906 -3.805 1.00 0.00 N ATOM 1312 CA ARG A 86 4.291 1.485 -3.756 1.00 0.00 C ATOM 1313 C ARG A 86 3.232 0.445 -4.114 1.00 0.00 C ATOM 1314 O ARG A 86 3.261 -0.134 -5.200 1.00 0.00 O ATOM 1315 CB ARG A 86 4.196 2.676 -4.711 1.00 0.00 C ATOM 1316 CG ARG A 86 4.500 4.011 -4.050 1.00 0.00 C ATOM 1317 CD ARG A 86 5.116 4.992 -5.032 1.00 0.00 C ATOM 1318 NE ARG A 86 4.318 5.124 -6.249 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.786 5.620 -7.392 1.00 0.00 C ATOM 1320 NH1 ARG A 86 6.045 6.031 -7.480 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.993 5.706 -8.451 1.00 0.00 N ATOM 0 H ARG A 86 5.732 0.138 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 86 4.107 1.827 -2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.889 2.524 -5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.193 2.711 -5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.582 4.433 -3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.181 3.857 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.215 5.968 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.121 4.661 -5.292 1.00 0.00 H new ATOM 0 HE ARG A 86 3.345 4.818 -6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.660 5.968 -6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.397 6.410 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.024 5.392 -8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.351 6.086 -9.327 1.00 0.00 H new ATOM 1335 N HIS A 87 2.297 0.217 -3.197 1.00 0.00 N ATOM 1336 CA HIS A 87 1.226 -0.750 -3.419 1.00 0.00 C ATOM 1337 C HIS A 87 -0.113 -0.039 -3.591 1.00 0.00 C ATOM 1338 O HIS A 87 -0.350 1.008 -2.990 1.00 0.00 O ATOM 1339 CB HIS A 87 1.150 -1.737 -2.253 1.00 0.00 C ATOM 1340 CG HIS A 87 2.444 -2.433 -1.971 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.974 -3.402 -2.797 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.320 -2.296 -0.947 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.117 -3.833 -2.293 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.350 -3.177 -1.171 1.00 0.00 N ATOM 0 H HIS A 87 2.259 0.688 -2.293 1.00 0.00 H new ATOM 0 HA HIS A 87 1.447 -1.301 -4.333 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.831 -1.204 -1.357 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.385 -2.483 -2.469 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.226 -1.620 -0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.752 -4.592 -2.725 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.163 -3.304 -0.568 1.00 0.00 H new ATOM 1353 N MET A 88 -0.984 -0.611 -4.418 1.00 0.00 N ATOM 1354 CA MET A 88 -2.295 -0.020 -4.667 1.00 0.00 C ATOM 1355 C MET A 88 -3.409 -1.048 -4.492 1.00 0.00 C ATOM 1356 O MET A 88 -3.304 -2.179 -4.964 1.00 0.00 O ATOM 1357 CB MET A 88 -2.351 0.571 -6.076 1.00 0.00 C ATOM 1358 CG MET A 88 -3.589 1.413 -6.335 1.00 0.00 C ATOM 1359 SD MET A 88 -4.851 0.525 -7.271 1.00 0.00 S ATOM 1360 CE MET A 88 -5.491 1.837 -8.308 1.00 0.00 C ATOM 0 H MET A 88 -0.807 -1.478 -4.925 1.00 0.00 H new ATOM 0 HA MET A 88 -2.446 0.775 -3.936 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.465 1.184 -6.239 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.315 -0.241 -6.803 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.009 1.737 -5.383 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.304 2.313 -6.880 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.578 1.767 -8.355 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.207 2.803 -7.889 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.078 1.741 -9.312 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.477 -0.641 -3.814 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.618 -1.519 -3.576 1.00 0.00 C ATOM 1372 C PHE A 89 -6.930 -0.783 -3.828 1.00 0.00 C ATOM 1373 O PHE A 89 -6.998 0.441 -3.711 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.587 -2.057 -2.145 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.411 -2.952 -1.866 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.473 -4.306 -2.149 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.247 -2.438 -1.319 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -3.395 -5.132 -1.892 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.166 -3.258 -1.061 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.240 -4.606 -1.348 1.00 0.00 C ATOM 0 H PHE A 89 -4.577 0.294 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.552 -2.356 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.568 -1.218 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.507 -2.609 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.374 -4.721 -2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.184 -1.384 -1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.456 -6.187 -2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.264 -2.845 -0.635 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.396 -5.249 -1.147 1.00 0.00 H new ATOM 1390 N SER A 90 -7.973 -1.533 -4.172 1.00 0.00 N ATOM 1391 CA SER A 90 -9.282 -0.947 -4.440 1.00 0.00 C ATOM 1392 C SER A 90 -10.362 -1.620 -3.597 1.00 0.00 C ATOM 1393 O SER A 90 -10.535 -2.836 -3.646 1.00 0.00 O ATOM 1394 CB SER A 90 -9.626 -1.064 -5.926 1.00 0.00 C ATOM 1395 OG SER A 90 -8.483 -1.404 -6.691 1.00 0.00 O ATOM 0 H SER A 90 -7.937 -2.547 -4.272 1.00 0.00 H new ATOM 0 HA SER A 90 -9.242 0.108 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.398 -1.821 -6.065 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.038 -0.120 -6.282 1.00 0.00 H new ATOM 0 HG SER A 90 -8.731 -1.474 -7.636 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.088 -0.820 -2.823 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.151 -1.341 -1.970 1.00 0.00 C ATOM 1403 C PHE A 91 -13.515 -0.860 -2.450 1.00 0.00 C ATOM 1404 O PHE A 91 -13.608 -0.027 -3.350 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.929 -0.910 -0.518 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.527 -1.140 -0.028 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.468 -0.412 -0.550 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.268 -2.079 0.956 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.180 -0.618 -0.100 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.979 -2.290 1.410 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.934 -1.558 0.882 1.00 0.00 C ATOM 0 H PHE A 91 -10.960 0.190 -2.769 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.126 -2.429 -2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.169 0.149 -0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.623 -1.454 0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.654 0.325 -1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.082 -2.653 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.364 -0.045 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.790 -3.027 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.927 -1.720 1.236 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.573 -1.389 -1.843 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.930 -1.011 -2.216 1.00 0.00 C ATOM 1423 C ASN A 92 -16.717 -0.511 -1.006 1.00 0.00 C ATOM 1424 O ASN A 92 -17.943 -0.600 -0.973 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.655 -2.195 -2.854 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.846 -3.351 -1.892 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -17.304 -3.166 -0.763 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.494 -4.552 -2.333 1.00 0.00 N ATOM 0 H ASN A 92 -14.516 -2.078 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.863 -0.199 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -17.628 -1.866 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.089 -2.538 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.599 -5.368 -1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.119 -4.659 -3.275 1.00 0.00 H new ATOM 1435 N ASN A 93 -16.006 0.014 -0.014 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.642 0.526 1.192 1.00 0.00 C ATOM 1437 C ASN A 93 -15.737 1.525 1.904 1.00 0.00 C ATOM 1438 O ASN A 93 -14.611 1.199 2.279 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.995 -0.624 2.136 1.00 0.00 C ATOM 1440 CG ASN A 93 -18.153 -1.458 1.626 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -19.164 -0.924 1.169 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -18.012 -2.776 1.702 1.00 0.00 N ATOM 0 H ASN A 93 -14.989 0.096 -0.022 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.558 1.039 0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.122 -1.263 2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.246 -0.221 3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.759 -3.389 1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.157 -3.176 2.088 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.236 2.743 2.091 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.472 3.788 2.762 1.00 0.00 C ATOM 1451 C ARG A 94 -15.046 3.335 4.151 1.00 0.00 C ATOM 1452 O ARG A 94 -13.964 3.673 4.627 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.295 5.074 2.856 1.00 0.00 C ATOM 1454 CG ARG A 94 -15.491 6.278 3.318 1.00 0.00 C ATOM 1455 CD ARG A 94 -15.562 6.453 4.827 1.00 0.00 C ATOM 1456 NE ARG A 94 -16.880 6.907 5.264 1.00 0.00 N ATOM 1457 CZ ARG A 94 -17.273 8.179 5.234 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -16.456 9.125 4.788 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.489 8.505 5.652 1.00 0.00 N ATOM 0 H ARG A 94 -17.166 3.030 1.787 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.576 3.987 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.729 5.290 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.124 4.915 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.451 6.160 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.867 7.177 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.325 5.507 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.807 7.172 5.144 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.537 6.209 5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.520 8.880 4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.764 10.097 4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.121 7.782 5.996 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.792 9.479 5.630 1.00 0.00 H new ATOM 1473 N THR A 95 -15.912 2.564 4.791 1.00 0.00 N ATOM 1474 CA THR A 95 -15.656 2.048 6.114 1.00 0.00 C ATOM 1475 C THR A 95 -14.512 1.041 6.096 1.00 0.00 C ATOM 1476 O THR A 95 -13.570 1.140 6.881 1.00 0.00 O ATOM 1477 CB THR A 95 -16.925 1.402 6.637 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.053 1.835 5.895 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.192 1.704 8.086 1.00 0.00 C ATOM 0 H THR A 95 -16.811 2.282 4.401 1.00 0.00 H new ATOM 0 HA THR A 95 -15.360 2.867 6.770 1.00 0.00 H new ATOM 0 HB THR A 95 -16.768 0.329 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.861 1.406 6.247 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.114 1.212 8.396 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.363 1.338 8.693 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.292 2.781 8.221 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.599 0.074 5.186 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.567 -0.946 5.058 1.00 0.00 C ATOM 1489 C VAL A 96 -12.220 -0.307 4.745 1.00 0.00 C ATOM 1490 O VAL A 96 -11.185 -0.724 5.264 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.916 -1.965 3.954 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.856 -3.055 3.870 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.291 -2.566 4.200 1.00 0.00 C ATOM 0 H VAL A 96 -15.373 -0.023 4.528 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.509 -1.471 6.011 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.937 -1.442 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.123 -3.762 3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.890 -2.606 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.796 -3.578 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.521 -3.283 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.299 -3.073 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.040 -1.774 4.200 1.00 0.00 H new ATOM 1503 N MET A 97 -12.246 0.715 3.898 1.00 0.00 N ATOM 1504 CA MET A 97 -11.031 1.422 3.519 1.00 0.00 C ATOM 1505 C MET A 97 -10.439 2.150 4.721 1.00 0.00 C ATOM 1506 O MET A 97 -9.221 2.228 4.873 1.00 0.00 O ATOM 1507 CB MET A 97 -11.326 2.418 2.395 1.00 0.00 C ATOM 1508 CG MET A 97 -10.592 2.106 1.101 1.00 0.00 C ATOM 1509 SD MET A 97 -10.864 3.355 -0.169 1.00 0.00 S ATOM 1510 CE MET A 97 -10.511 4.847 0.756 1.00 0.00 C ATOM 0 H MET A 97 -13.096 1.072 3.461 1.00 0.00 H new ATOM 0 HA MET A 97 -10.305 0.692 3.162 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.399 2.428 2.202 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.052 3.420 2.727 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.524 2.026 1.304 1.00 0.00 H new ATOM 0 HG3 MET A 97 -10.919 1.136 0.727 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.441 5.376 0.962 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.026 4.586 1.697 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.850 5.489 0.173 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.312 2.680 5.572 1.00 0.00 N ATOM 1521 CA ASP A 98 -10.873 3.400 6.761 1.00 0.00 C ATOM 1522 C ASP A 98 -10.238 2.451 7.764 1.00 0.00 C ATOM 1523 O ASP A 98 -9.292 2.809 8.464 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.048 4.137 7.405 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.282 5.503 6.789 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.537 6.444 7.132 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.210 5.630 5.964 1.00 0.00 O ATOM 0 H ASP A 98 -12.324 2.624 5.461 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.124 4.131 6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.951 3.535 7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.861 4.250 8.473 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.759 1.234 7.822 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.236 0.226 8.735 1.00 0.00 C ATOM 1534 C ASN A 99 -8.780 -0.079 8.406 1.00 0.00 C ATOM 1535 O ASN A 99 -7.942 -0.194 9.298 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.070 -1.054 8.657 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.540 -0.803 8.931 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.898 0.108 9.677 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.401 -1.615 8.327 1.00 0.00 N ATOM 0 H ASN A 99 -11.542 0.920 7.249 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.295 0.618 9.750 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -10.958 -1.498 7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.687 -1.778 9.376 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.403 -1.496 8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.060 -2.357 7.716 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.487 -0.196 7.116 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.132 -0.474 6.658 1.00 0.00 C ATOM 1548 C ILE A 100 -6.212 0.699 6.968 1.00 0.00 C ATOM 1549 O ILE A 100 -5.149 0.528 7.564 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.101 -0.753 5.141 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.104 -1.849 4.781 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.699 -1.143 4.695 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.721 -3.214 5.309 1.00 0.00 C ATOM 0 H ILE A 100 -9.173 -0.102 6.367 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.784 -1.361 7.187 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.383 0.160 4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.084 -1.578 5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.199 -1.901 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.699 -1.336 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.007 -0.331 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.386 -2.042 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.477 -3.943 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.756 -3.506 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.654 -3.178 6.396 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.634 1.890 6.564 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.857 3.099 6.802 1.00 0.00 C ATOM 1567 C LYS A 101 -5.764 3.393 8.295 1.00 0.00 C ATOM 1568 O LYS A 101 -4.808 4.012 8.760 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.471 4.287 6.047 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.577 5.009 6.802 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.277 6.027 5.915 1.00 0.00 C ATOM 1572 CE LYS A 101 -8.615 7.297 6.678 1.00 0.00 C ATOM 1573 NZ LYS A 101 -7.437 7.830 7.418 1.00 0.00 N ATOM 0 H LYS A 101 -7.512 2.045 6.069 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.846 2.941 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.681 5.001 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.869 3.931 5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.303 4.284 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.158 5.511 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.638 6.271 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.191 5.591 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.979 8.053 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.424 7.094 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.485 8.869 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.439 7.458 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.563 7.536 6.937 1.00 0.00 H new ATOM 1587 N MET A 102 -6.765 2.939 9.038 1.00 0.00 N ATOM 1588 CA MET A 102 -6.804 3.144 10.478 1.00 0.00 C ATOM 1589 C MET A 102 -5.879 2.161 11.180 1.00 0.00 C ATOM 1590 O MET A 102 -5.222 2.503 12.164 1.00 0.00 O ATOM 1591 CB MET A 102 -8.231 2.984 11.005 1.00 0.00 C ATOM 1592 CG MET A 102 -9.098 4.217 10.801 1.00 0.00 C ATOM 1593 SD MET A 102 -9.578 5.001 12.353 1.00 0.00 S ATOM 1594 CE MET A 102 -10.570 3.706 13.092 1.00 0.00 C ATOM 0 H MET A 102 -7.563 2.425 8.665 1.00 0.00 H new ATOM 0 HA MET A 102 -6.465 4.159 10.687 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.700 2.135 10.508 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.192 2.749 12.069 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.557 4.938 10.187 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.995 3.937 10.248 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.279 4.146 13.793 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.114 3.174 12.311 1.00 0.00 H new ATOM 0 HE3 MET A 102 -9.921 3.009 13.622 1.00 0.00 H new ATOM 1604 N THR A 103 -5.829 0.938 10.665 1.00 0.00 N ATOM 1605 CA THR A 103 -4.981 -0.092 11.239 1.00 0.00 C ATOM 1606 C THR A 103 -3.537 0.074 10.768 1.00 0.00 C ATOM 1607 O THR A 103 -2.596 -0.157 11.528 1.00 0.00 O ATOM 1608 CB THR A 103 -5.525 -1.475 10.875 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.023 -2.138 12.022 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.495 -2.368 10.243 1.00 0.00 C ATOM 0 H THR A 103 -6.367 0.639 9.851 1.00 0.00 H new ATOM 0 HA THR A 103 -4.988 0.007 12.324 1.00 0.00 H new ATOM 0 HB THR A 103 -6.319 -1.292 10.151 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.068 -3.102 11.849 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.944 -3.333 10.009 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.127 -1.907 9.326 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.665 -2.512 10.935 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.370 0.478 9.513 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.040 0.676 8.952 1.00 0.00 C ATOM 1620 C LEU A 104 -1.306 1.792 9.684 1.00 0.00 C ATOM 1621 O LEU A 104 -0.115 1.678 9.972 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.136 1.000 7.459 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.123 -0.216 6.531 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.434 0.200 5.102 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.779 -0.925 6.602 1.00 0.00 C ATOM 0 H LEU A 104 -4.136 0.674 8.868 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.476 -0.248 9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.053 1.563 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.305 1.652 7.190 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.896 -0.910 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.420 -0.678 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.420 0.663 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.685 0.914 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.787 -1.788 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.011 -0.239 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.597 -1.258 7.624 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.025 2.867 9.987 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.440 4.002 10.693 1.00 0.00 C ATOM 1639 C GLN A 105 -0.958 3.594 12.078 1.00 0.00 C ATOM 1640 O GLN A 105 -0.021 4.180 12.620 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.456 5.141 10.806 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.421 6.108 9.633 1.00 0.00 C ATOM 1643 CD GLN A 105 -2.165 7.539 10.062 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -1.419 7.792 11.009 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -2.783 8.485 9.365 1.00 0.00 N ATOM 0 H GLN A 105 -3.012 2.977 9.755 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.581 4.349 10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.457 4.717 10.886 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.269 5.693 11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.644 5.798 8.935 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.369 6.058 9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.392 8.230 8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.648 9.467 9.607 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.606 2.586 12.645 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.247 2.095 13.970 1.00 0.00 C ATOM 1656 C GLN A 106 0.106 1.391 13.945 1.00 0.00 C ATOM 1657 O GLN A 106 0.853 1.430 14.923 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.322 1.140 14.492 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.626 1.832 14.854 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.716 0.853 15.245 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.624 -0.341 14.963 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.755 1.355 15.899 1.00 0.00 N ATOM 0 H GLN A 106 -2.384 2.091 12.208 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.176 2.953 14.639 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.521 0.381 13.735 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.940 0.621 15.371 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.450 2.523 15.679 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.965 2.428 14.006 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.790 2.352 16.112 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.519 0.744 16.189 1.00 0.00 H new ATOM 1671 N ILE A 107 0.413 0.743 12.826 1.00 0.00 N ATOM 1672 CA ILE A 107 1.674 0.025 12.681 1.00 0.00 C ATOM 1673 C ILE A 107 2.840 0.986 12.468 1.00 0.00 C ATOM 1674 O ILE A 107 3.890 0.843 13.095 1.00 0.00 O ATOM 1675 CB ILE A 107 1.615 -0.980 11.513 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.465 -1.968 11.722 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.938 -1.722 11.376 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.332 -2.243 10.466 1.00 0.00 C ATOM 0 H ILE A 107 -0.194 0.700 12.007 1.00 0.00 H new ATOM 0 HA ILE A 107 1.836 -0.523 13.610 1.00 0.00 H new ATOM 0 HB ILE A 107 1.437 -0.428 10.590 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.868 -2.908 12.100 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.204 -1.577 12.489 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.876 -2.426 10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.738 -1.007 11.186 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.148 -2.265 12.298 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.130 -2.951 10.689 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.765 -1.313 10.099 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.324 -2.664 9.704 1.00 0.00 H new ATOM 1690 N ILE A 108 2.652 1.970 11.596 1.00 0.00 N ATOM 1691 CA ILE A 108 3.702 2.953 11.332 1.00 0.00 C ATOM 1692 C ILE A 108 4.074 3.649 12.620 1.00 0.00 C ATOM 1693 O ILE A 108 5.207 3.575 13.092 1.00 0.00 O ATOM 1694 CB ILE A 108 3.270 4.035 10.318 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.398 3.447 9.211 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.491 4.716 9.726 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.418 4.447 8.638 1.00 0.00 C ATOM 0 H ILE A 108 1.793 2.110 11.064 1.00 0.00 H new ATOM 0 HA ILE A 108 4.544 2.405 10.910 1.00 0.00 H new ATOM 0 HB ILE A 108 2.674 4.776 10.851 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.038 3.074 8.411 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.848 2.592 9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.173 5.477 9.013 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.069 5.184 10.523 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.109 3.976 9.217 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.827 3.970 7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.756 4.801 9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.964 5.291 8.216 1.00 0.00 H new ATOM 1709 N SER A 109 3.085 4.313 13.185 1.00 0.00 N ATOM 1710 CA SER A 109 3.254 5.032 14.441 1.00 0.00 C ATOM 1711 C SER A 109 3.892 4.131 15.495 1.00 0.00 C ATOM 1712 O SER A 109 4.590 4.603 16.392 1.00 0.00 O ATOM 1713 CB SER A 109 1.907 5.556 14.943 1.00 0.00 C ATOM 1714 OG SER A 109 1.275 6.360 13.963 1.00 0.00 O ATOM 0 H SER A 109 2.145 4.372 12.793 1.00 0.00 H new ATOM 0 HA SER A 109 3.915 5.880 14.262 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.261 4.717 15.202 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.056 6.137 15.853 1.00 0.00 H new ATOM 0 HG SER A 109 0.738 5.793 13.371 1.00 0.00 H new ATOM 1720 N ARG A 110 3.648 2.832 15.371 1.00 0.00 N ATOM 1721 CA ARG A 110 4.198 1.856 16.298 1.00 0.00 C ATOM 1722 C ARG A 110 5.701 1.730 16.100 1.00 0.00 C ATOM 1723 O ARG A 110 6.478 1.773 17.055 1.00 0.00 O ATOM 1724 CB ARG A 110 3.506 0.505 16.088 1.00 0.00 C ATOM 1725 CG ARG A 110 4.455 -0.667 15.903 1.00 0.00 C ATOM 1726 CD ARG A 110 3.713 -1.993 15.916 1.00 0.00 C ATOM 1727 NE ARG A 110 3.063 -2.245 17.200 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.578 -3.430 17.565 1.00 0.00 C ATOM 1729 NH1 ARG A 110 2.668 -4.473 16.748 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.002 -3.573 18.750 1.00 0.00 N ATOM 0 H ARG A 110 3.070 2.431 14.633 1.00 0.00 H new ATOM 0 HA ARG A 110 4.019 2.188 17.321 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.863 0.304 16.945 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.860 0.574 15.213 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.990 -0.558 14.960 1.00 0.00 H new ATOM 0 HG3 ARG A 110 5.203 -0.660 16.696 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.964 -1.997 15.124 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.411 -2.801 15.699 1.00 0.00 H new ATOM 0 HE ARG A 110 2.976 -1.468 17.855 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.111 -4.369 15.835 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.295 -5.378 17.034 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.930 -2.775 19.382 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.630 -4.481 19.030 1.00 0.00 H new ATOM 1744 N TYR A 111 6.091 1.582 14.848 1.00 0.00 N ATOM 1745 CA TYR A 111 7.496 1.455 14.490 1.00 0.00 C ATOM 1746 C TYR A 111 8.195 2.804 14.595 1.00 0.00 C ATOM 1747 O TYR A 111 9.393 2.876 14.866 1.00 0.00 O ATOM 1748 CB TYR A 111 7.638 0.897 13.072 1.00 0.00 C ATOM 1749 CG TYR A 111 7.221 -0.550 12.947 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.714 -1.513 13.818 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.334 -0.954 11.957 1.00 0.00 C ATOM 1752 CE1 TYR A 111 7.336 -2.838 13.707 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.951 -2.276 11.839 1.00 0.00 C ATOM 1754 CZ TYR A 111 6.454 -3.214 12.715 1.00 0.00 C ATOM 1755 OH TYR A 111 6.076 -4.532 12.600 1.00 0.00 O ATOM 0 H TYR A 111 5.451 1.546 14.055 1.00 0.00 H new ATOM 0 HA TYR A 111 7.967 0.762 15.187 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.037 1.500 12.391 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.676 0.996 12.754 1.00 0.00 H new ATOM 0 HD1 TYR A 111 8.405 -1.222 14.595 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.937 -0.223 11.268 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.729 -3.574 14.393 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.260 -2.573 11.064 1.00 0.00 H new ATOM 0 HH TYR A 111 5.137 -4.627 12.865 1.00 0.00 H new ATOM 1765 N LYS A 112 7.433 3.871 14.381 1.00 0.00 N ATOM 1766 CA LYS A 112 7.974 5.220 14.453 1.00 0.00 C ATOM 1767 C LYS A 112 8.467 5.525 15.862 1.00 0.00 C ATOM 1768 O LYS A 112 9.557 6.067 16.048 1.00 0.00 O ATOM 1769 CB LYS A 112 6.913 6.241 14.042 1.00 0.00 C ATOM 1770 CG LYS A 112 6.460 6.096 12.598 1.00 0.00 C ATOM 1771 CD LYS A 112 6.527 7.422 11.860 1.00 0.00 C ATOM 1772 CE LYS A 112 7.017 7.240 10.433 1.00 0.00 C ATOM 1773 NZ LYS A 112 6.337 8.170 9.490 1.00 0.00 N ATOM 0 H LYS A 112 6.439 3.826 14.156 1.00 0.00 H new ATOM 0 HA LYS A 112 8.816 5.287 13.765 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.048 6.139 14.698 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.309 7.245 14.191 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.087 5.363 12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.439 5.715 12.572 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.540 7.885 11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.193 8.102 12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.093 7.407 10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.843 6.211 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.699 8.014 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.312 7.994 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.524 9.152 9.776 1.00 0.00 H new