USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 hydrogens (34 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 NoAdj-H: B 4 MLY H2 : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 MLY H : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 9 MLY H2 : B 9 MLY N : B 8 ARG C :(H bumps) USER MOD Set 1.1: A 41 LYS NZ :NH3+ -169:sc= -0.15 (180deg=-0.283) USER MOD Set 1.2: A 50 ASN : amide:sc= -6.51! C(o=-6.7!,f=-9.4!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -3.29! (180deg=-6.16!) USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= -0.0816 (180deg=-1.93!) USER MOD Single : A 35 LYS NZ :NH3+ -111:sc= -3.32! (180deg=-4.1!) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.0134 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0162 (180deg=-0.182) USER MOD Single : A 46 SER OG : rot 180:sc=-0.00302 USER MOD Single : A 51 THR OG1 : rot 68:sc= 0.114 USER MOD Single : A 57 ASN :FLIP amide:sc= -1.92! C(o=-4.1!,f=-1.9!) USER MOD Single : A 60 CYS SG : rot 53:sc= -2.56 USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.74) USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= -2.94! (180deg=-5.9!) USER MOD Single : A 73 THR OG1 : rot -52:sc= 0.908 USER MOD Single : A 75 HIS : no HD1:sc= 0.0295 K(o=0.029,f=-2.9!) USER MOD Single : A 77 THR OG1 : rot 12:sc= 0.72 USER MOD Single : A 79 LYS NZ :NH3+ 145:sc= -3.28! (180deg=-5.93!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -132:sc= 0.0106 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -12:sc= -1.05! USER MOD Single : B 5 GLN :FLIP amide:sc= -4.18! C(o=-5.5!,f=-4.2!) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 149:sc= 0.0687 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 -9.597 -2.616 -20.828 1.00 0.00 N ATOM 2 CA HIS A 8 -10.215 -3.967 -20.853 1.00 0.00 C ATOM 3 C HIS A 8 -11.396 -4.048 -19.890 1.00 0.00 C ATOM 4 O HIS A 8 -12.441 -4.608 -20.221 1.00 0.00 O ATOM 5 CB HIS A 8 -9.150 -4.997 -20.472 1.00 0.00 C ATOM 6 CG HIS A 8 -7.958 -4.985 -21.378 1.00 0.00 C ATOM 7 ND1 HIS A 8 -8.040 -5.223 -22.734 1.00 0.00 N ATOM 8 CD2 HIS A 8 -6.648 -4.760 -21.115 1.00 0.00 C ATOM 9 CE1 HIS A 8 -6.833 -5.144 -23.266 1.00 0.00 C ATOM 10 NE2 HIS A 8 -5.972 -4.864 -22.306 1.00 0.00 N ATOM 0 HA HIS A 8 -10.593 -4.171 -21.855 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.822 -4.808 -19.450 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.596 -5.991 -20.485 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.216 -4.540 -20.150 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.592 -5.285 -24.309 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.967 -4.744 -22.429 1.00 0.00 H new ATOM 21 N MET A 9 -11.217 -3.484 -18.698 1.00 0.00 N ATOM 22 CA MET A 9 -12.260 -3.485 -17.677 1.00 0.00 C ATOM 23 C MET A 9 -12.678 -4.908 -17.320 1.00 0.00 C ATOM 24 O MET A 9 -13.869 -5.210 -17.221 1.00 0.00 O ATOM 25 CB MET A 9 -13.478 -2.688 -18.154 1.00 0.00 C ATOM 26 CG MET A 9 -13.174 -1.230 -18.457 1.00 0.00 C ATOM 27 SD MET A 9 -14.622 -0.328 -19.039 1.00 0.00 S ATOM 28 CE MET A 9 -13.915 1.290 -19.344 1.00 0.00 C ATOM 0 H MET A 9 -10.355 -3.018 -18.415 1.00 0.00 H new ATOM 0 HA MET A 9 -11.852 -3.012 -16.784 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.881 -3.160 -19.050 1.00 0.00 H new ATOM 0 HB3 MET A 9 -14.255 -2.737 -17.391 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.787 -0.749 -17.559 1.00 0.00 H new ATOM 0 HG3 MET A 9 -12.389 -1.175 -19.211 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.691 1.963 -19.710 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.499 1.686 -18.418 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.125 1.207 -20.090 1.00 0.00 H new ATOM 38 N VAL A 10 -11.692 -5.777 -17.121 1.00 0.00 N ATOM 39 CA VAL A 10 -11.961 -7.166 -16.768 1.00 0.00 C ATOM 40 C VAL A 10 -12.705 -7.255 -15.439 1.00 0.00 C ATOM 41 O VAL A 10 -12.379 -6.547 -14.486 1.00 0.00 O ATOM 42 CB VAL A 10 -10.660 -7.990 -16.680 1.00 0.00 C ATOM 43 CG1 VAL A 10 -9.982 -8.069 -18.040 1.00 0.00 C ATOM 44 CG2 VAL A 10 -9.718 -7.394 -15.643 1.00 0.00 C ATOM 0 H VAL A 10 -10.702 -5.544 -17.198 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.584 -7.581 -17.560 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.916 -9.002 -16.368 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.066 -8.654 -17.957 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.654 -8.546 -18.754 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.740 -7.064 -18.385 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.806 -7.989 -15.595 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.469 -6.370 -15.923 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.203 -7.395 -14.667 1.00 0.00 H new ATOM 54 N GLU A 11 -13.709 -8.125 -15.385 1.00 0.00 N ATOM 55 CA GLU A 11 -14.505 -8.302 -14.174 1.00 0.00 C ATOM 56 C GLU A 11 -15.444 -9.497 -14.306 1.00 0.00 C ATOM 57 O GLU A 11 -16.030 -9.727 -15.365 1.00 0.00 O ATOM 58 CB GLU A 11 -15.315 -7.036 -13.879 1.00 0.00 C ATOM 59 CG GLU A 11 -16.144 -7.115 -12.604 1.00 0.00 C ATOM 60 CD GLU A 11 -15.293 -7.252 -11.354 1.00 0.00 C ATOM 61 OE1 GLU A 11 -14.582 -8.270 -11.224 1.00 0.00 O ATOM 62 OE2 GLU A 11 -15.338 -6.336 -10.506 1.00 0.00 O ATOM 0 H GLU A 11 -13.991 -8.718 -16.165 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.820 -8.490 -13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.633 -6.189 -13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.979 -6.837 -14.720 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.761 -6.220 -12.521 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.823 -7.965 -12.670 1.00 0.00 H new ATOM 69 N GLU A 12 -15.581 -10.255 -13.222 1.00 0.00 N ATOM 70 CA GLU A 12 -16.449 -11.428 -13.209 1.00 0.00 C ATOM 71 C GLU A 12 -16.622 -11.961 -11.788 1.00 0.00 C ATOM 72 O GLU A 12 -17.736 -12.259 -11.360 1.00 0.00 O ATOM 73 CB GLU A 12 -15.879 -12.524 -14.116 1.00 0.00 C ATOM 74 CG GLU A 12 -14.466 -12.947 -13.749 1.00 0.00 C ATOM 75 CD GLU A 12 -13.923 -14.027 -14.664 1.00 0.00 C ATOM 76 OE1 GLU A 12 -13.831 -13.780 -15.885 1.00 0.00 O ATOM 77 OE2 GLU A 12 -13.592 -15.121 -14.161 1.00 0.00 O ATOM 0 H GLU A 12 -15.101 -10.077 -12.340 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.427 -11.130 -13.587 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -16.532 -13.395 -14.073 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.887 -12.171 -15.147 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.809 -12.078 -13.789 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.455 -13.308 -12.721 1.00 0.00 H new ATOM 84 N VAL A 13 -15.513 -12.072 -11.063 1.00 0.00 N ATOM 85 CA VAL A 13 -15.543 -12.561 -9.690 1.00 0.00 C ATOM 86 C VAL A 13 -16.108 -11.506 -8.743 1.00 0.00 C ATOM 87 O VAL A 13 -15.804 -10.320 -8.869 1.00 0.00 O ATOM 88 CB VAL A 13 -14.139 -12.976 -9.209 1.00 0.00 C ATOM 89 CG1 VAL A 13 -13.604 -14.122 -10.053 1.00 0.00 C ATOM 90 CG2 VAL A 13 -13.185 -11.790 -9.245 1.00 0.00 C ATOM 0 H VAL A 13 -14.583 -11.830 -11.404 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.192 -13.437 -9.679 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.217 -13.317 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.612 -14.402 -9.699 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.274 -14.978 -9.971 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.543 -13.809 -11.095 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.200 -12.105 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.110 -11.414 -10.265 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.561 -11.001 -8.594 1.00 0.00 H new ATOM 100 N LEU A 14 -16.934 -11.944 -7.798 1.00 0.00 N ATOM 101 CA LEU A 14 -17.541 -11.034 -6.831 1.00 0.00 C ATOM 102 C LEU A 14 -16.470 -10.359 -5.981 1.00 0.00 C ATOM 103 O LEU A 14 -15.565 -11.020 -5.468 1.00 0.00 O ATOM 104 CB LEU A 14 -18.529 -11.781 -5.925 1.00 0.00 C ATOM 105 CG LEU A 14 -19.792 -12.319 -6.611 1.00 0.00 C ATOM 106 CD1 LEU A 14 -20.542 -11.199 -7.316 1.00 0.00 C ATOM 107 CD2 LEU A 14 -19.446 -13.431 -7.590 1.00 0.00 C ATOM 0 H LEU A 14 -17.199 -12.922 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 14 -18.084 -10.270 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.006 -12.618 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.833 -11.111 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.442 -12.734 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -21.434 -11.603 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -20.833 -10.442 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -19.897 -10.748 -8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.358 -13.796 -8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.770 -13.046 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -18.962 -14.249 -7.056 1.00 0.00 H new ATOM 119 N GLU A 15 -16.574 -9.042 -5.839 1.00 0.00 N ATOM 120 CA GLU A 15 -15.612 -8.279 -5.052 1.00 0.00 C ATOM 121 C GLU A 15 -15.684 -8.666 -3.578 1.00 0.00 C ATOM 122 O GLU A 15 -16.749 -8.611 -2.963 1.00 0.00 O ATOM 123 CB GLU A 15 -15.866 -6.779 -5.213 1.00 0.00 C ATOM 124 CG GLU A 15 -14.863 -5.908 -4.474 1.00 0.00 C ATOM 125 CD GLU A 15 -15.140 -4.428 -4.647 1.00 0.00 C ATOM 126 OE1 GLU A 15 -15.131 -3.953 -5.801 1.00 0.00 O ATOM 127 OE2 GLU A 15 -15.366 -3.743 -3.626 1.00 0.00 O ATOM 0 H GLU A 15 -17.315 -8.481 -6.259 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.613 -8.512 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.842 -6.527 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.869 -6.548 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.884 -6.156 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.859 -6.131 -4.834 1.00 0.00 H new ATOM 134 N GLU A 16 -14.542 -9.057 -3.021 1.00 0.00 N ATOM 135 CA GLU A 16 -14.467 -9.456 -1.620 1.00 0.00 C ATOM 136 C GLU A 16 -14.209 -8.254 -0.714 1.00 0.00 C ATOM 137 O GLU A 16 -13.319 -8.291 0.137 1.00 0.00 O ATOM 138 CB GLU A 16 -13.371 -10.506 -1.426 1.00 0.00 C ATOM 139 CG GLU A 16 -13.641 -11.814 -2.153 1.00 0.00 C ATOM 140 CD GLU A 16 -14.865 -12.540 -1.626 1.00 0.00 C ATOM 141 OE1 GLU A 16 -15.977 -11.980 -1.721 1.00 0.00 O ATOM 142 OE2 GLU A 16 -14.710 -13.671 -1.117 1.00 0.00 O ATOM 0 H GLU A 16 -13.654 -9.106 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 16 -15.429 -9.888 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.423 -10.097 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.259 -10.709 -0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.774 -11.612 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.771 -12.463 -2.058 1.00 0.00 H new ATOM 149 N GLU A 17 -14.995 -7.192 -0.905 1.00 0.00 N ATOM 150 CA GLU A 17 -14.869 -5.967 -0.110 1.00 0.00 C ATOM 151 C GLU A 17 -13.399 -5.605 0.130 1.00 0.00 C ATOM 152 O GLU A 17 -12.605 -5.572 -0.810 1.00 0.00 O ATOM 153 CB GLU A 17 -15.633 -6.099 1.219 1.00 0.00 C ATOM 154 CG GLU A 17 -15.192 -7.268 2.087 1.00 0.00 C ATOM 155 CD GLU A 17 -15.965 -7.356 3.390 1.00 0.00 C ATOM 156 OE1 GLU A 17 -16.849 -6.502 3.617 1.00 0.00 O ATOM 157 OE2 GLU A 17 -15.685 -8.278 4.184 1.00 0.00 O ATOM 0 H GLU A 17 -15.732 -7.156 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.317 -5.152 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.512 -5.176 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.696 -6.204 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.320 -8.197 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.129 -7.171 2.306 1.00 0.00 H new ATOM 164 N GLU A 18 -13.044 -5.328 1.386 1.00 0.00 N ATOM 165 CA GLU A 18 -11.672 -4.967 1.740 1.00 0.00 C ATOM 166 C GLU A 18 -10.761 -6.194 1.764 1.00 0.00 C ATOM 167 O GLU A 18 -10.099 -6.467 2.766 1.00 0.00 O ATOM 168 CB GLU A 18 -11.645 -4.273 3.096 1.00 0.00 C ATOM 169 CG GLU A 18 -12.470 -2.997 3.148 1.00 0.00 C ATOM 170 CD GLU A 18 -12.449 -2.340 4.517 1.00 0.00 C ATOM 171 OE1 GLU A 18 -11.791 -2.886 5.429 1.00 0.00 O ATOM 172 OE2 GLU A 18 -13.093 -1.283 4.677 1.00 0.00 O ATOM 0 H GLU A 18 -13.690 -5.347 2.175 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.299 -4.284 0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.013 -4.964 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.612 -4.038 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.091 -2.294 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.500 -3.224 2.874 1.00 0.00 H new ATOM 179 N GLU A 19 -10.733 -6.932 0.656 1.00 0.00 N ATOM 180 CA GLU A 19 -9.909 -8.132 0.547 1.00 0.00 C ATOM 181 C GLU A 19 -8.439 -7.819 0.813 1.00 0.00 C ATOM 182 O GLU A 19 -7.936 -6.766 0.423 1.00 0.00 O ATOM 183 CB GLU A 19 -10.061 -8.751 -0.844 1.00 0.00 C ATOM 184 CG GLU A 19 -9.246 -10.019 -1.041 1.00 0.00 C ATOM 185 CD GLU A 19 -9.407 -10.604 -2.430 1.00 0.00 C ATOM 186 OE1 GLU A 19 -10.549 -10.946 -2.802 1.00 0.00 O ATOM 187 OE2 GLU A 19 -8.390 -10.721 -3.146 1.00 0.00 O ATOM 0 H GLU A 19 -11.274 -6.718 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.250 -8.842 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.113 -8.975 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.762 -8.018 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.193 -9.801 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.549 -10.760 -0.301 1.00 0.00 H new ATOM 194 N GLU A 20 -7.758 -8.745 1.482 1.00 0.00 N ATOM 195 CA GLU A 20 -6.343 -8.581 1.804 1.00 0.00 C ATOM 196 C GLU A 20 -5.444 -8.966 0.628 1.00 0.00 C ATOM 197 O GLU A 20 -4.873 -10.055 0.600 1.00 0.00 O ATOM 198 CB GLU A 20 -5.972 -9.400 3.047 1.00 0.00 C ATOM 199 CG GLU A 20 -6.766 -10.692 3.216 1.00 0.00 C ATOM 200 CD GLU A 20 -6.606 -11.658 2.056 1.00 0.00 C ATOM 201 OE1 GLU A 20 -7.083 -11.343 0.945 1.00 0.00 O ATOM 202 OE2 GLU A 20 -6.001 -12.732 2.258 1.00 0.00 O ATOM 0 H GLU A 20 -8.165 -9.620 1.813 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.179 -7.524 2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.911 -9.644 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.119 -8.780 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.450 -11.185 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.822 -10.448 3.332 1.00 0.00 H new ATOM 209 N TYR A 21 -5.313 -8.061 -0.339 1.00 0.00 N ATOM 210 CA TYR A 21 -4.474 -8.314 -1.509 1.00 0.00 C ATOM 211 C TYR A 21 -3.028 -8.558 -1.090 1.00 0.00 C ATOM 212 O TYR A 21 -2.521 -7.911 -0.176 1.00 0.00 O ATOM 213 CB TYR A 21 -4.537 -7.136 -2.490 1.00 0.00 C ATOM 214 CG TYR A 21 -5.885 -6.949 -3.152 1.00 0.00 C ATOM 215 CD1 TYR A 21 -7.022 -6.676 -2.402 1.00 0.00 C ATOM 216 CD2 TYR A 21 -6.017 -7.036 -4.532 1.00 0.00 C ATOM 217 CE1 TYR A 21 -8.252 -6.498 -3.007 1.00 0.00 C ATOM 218 CE2 TYR A 21 -7.242 -6.859 -5.145 1.00 0.00 C ATOM 219 CZ TYR A 21 -8.357 -6.591 -4.379 1.00 0.00 C ATOM 220 OH TYR A 21 -9.578 -6.414 -4.988 1.00 0.00 O ATOM 0 H TYR A 21 -5.774 -7.151 -0.337 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.854 -9.206 -2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.276 -6.221 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.783 -7.281 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.944 -6.602 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.147 -7.246 -5.136 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.126 -6.287 -2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.326 -6.930 -6.219 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.477 -6.511 -5.958 1.00 0.00 H new ATOM 230 N VAL A 22 -2.375 -9.508 -1.755 1.00 0.00 N ATOM 231 CA VAL A 22 -0.990 -9.852 -1.445 1.00 0.00 C ATOM 232 C VAL A 22 -0.069 -8.644 -1.588 1.00 0.00 C ATOM 233 O VAL A 22 0.838 -8.451 -0.778 1.00 0.00 O ATOM 234 CB VAL A 22 -0.479 -10.992 -2.346 1.00 0.00 C ATOM 235 CG1 VAL A 22 0.947 -11.373 -1.976 1.00 0.00 C ATOM 236 CG2 VAL A 22 -1.402 -12.198 -2.256 1.00 0.00 C ATOM 0 H VAL A 22 -2.784 -10.054 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.975 -10.186 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.477 -10.640 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.288 -12.180 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.598 -10.508 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.977 -11.705 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.025 -12.993 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.439 -12.552 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.404 -11.914 -2.579 1.00 0.00 H new ATOM 246 N VAL A 23 -0.310 -7.839 -2.619 1.00 0.00 N ATOM 247 CA VAL A 23 0.493 -6.643 -2.872 1.00 0.00 C ATOM 248 C VAL A 23 1.922 -7.005 -3.263 1.00 0.00 C ATOM 249 O VAL A 23 2.544 -7.876 -2.653 1.00 0.00 O ATOM 250 CB VAL A 23 0.530 -5.719 -1.641 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.187 -4.392 -1.985 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.871 -5.509 -1.092 1.00 0.00 C ATOM 0 H VAL A 23 -1.057 -7.993 -3.296 1.00 0.00 H new ATOM 0 HA VAL A 23 0.017 -6.117 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 23 1.129 -6.198 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.203 -3.754 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.208 -4.568 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.622 -3.901 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.826 -4.854 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.498 -5.053 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.296 -6.470 -0.801 1.00 0.00 H new ATOM 262 N GLU A 24 2.436 -6.333 -4.287 1.00 0.00 N ATOM 263 CA GLU A 24 3.790 -6.585 -4.765 1.00 0.00 C ATOM 264 C GLU A 24 4.834 -5.917 -3.872 1.00 0.00 C ATOM 265 O GLU A 24 5.690 -6.591 -3.299 1.00 0.00 O ATOM 266 CB GLU A 24 3.942 -6.087 -6.204 1.00 0.00 C ATOM 267 CG GLU A 24 5.325 -6.320 -6.790 1.00 0.00 C ATOM 268 CD GLU A 24 5.451 -5.809 -8.212 1.00 0.00 C ATOM 269 OE1 GLU A 24 4.698 -6.290 -9.084 1.00 0.00 O ATOM 270 OE2 GLU A 24 6.303 -4.928 -8.452 1.00 0.00 O ATOM 0 H GLU A 24 1.935 -5.609 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 24 3.958 -7.661 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.203 -6.585 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.719 -5.020 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.068 -5.827 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.549 -7.387 -6.770 1.00 0.00 H new ATOM 277 N LYS A 25 4.762 -4.589 -3.769 1.00 0.00 N ATOM 278 CA LYS A 25 5.710 -3.821 -2.961 1.00 0.00 C ATOM 279 C LYS A 25 5.454 -2.325 -3.111 1.00 0.00 C ATOM 280 O LYS A 25 5.057 -1.868 -4.182 1.00 0.00 O ATOM 281 CB LYS A 25 7.143 -4.129 -3.397 1.00 0.00 C ATOM 282 CG LYS A 25 8.202 -3.379 -2.603 1.00 0.00 C ATOM 283 CD LYS A 25 9.611 -3.686 -3.096 1.00 0.00 C ATOM 284 CE LYS A 25 9.874 -3.106 -4.480 1.00 0.00 C ATOM 285 NZ LYS A 25 9.060 -3.768 -5.537 1.00 0.00 N ATOM 0 H LYS A 25 4.055 -4.022 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 25 5.575 -4.105 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.320 -5.200 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.252 -3.883 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.018 -2.307 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.121 -3.645 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.337 -3.282 -2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.758 -4.766 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.654 -2.038 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.932 -3.212 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.634 -3.882 -6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.749 -4.702 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.228 -3.183 -5.752 1.00 0.00 H new ATOM 299 N VAL A 26 5.692 -1.559 -2.048 1.00 0.00 N ATOM 300 CA VAL A 26 5.489 -0.118 -2.115 1.00 0.00 C ATOM 301 C VAL A 26 6.395 0.501 -3.159 1.00 0.00 C ATOM 302 O VAL A 26 7.601 0.251 -3.183 1.00 0.00 O ATOM 303 CB VAL A 26 5.738 0.598 -0.775 1.00 0.00 C ATOM 304 CG1 VAL A 26 4.726 0.185 0.259 1.00 0.00 C ATOM 305 CG2 VAL A 26 7.129 0.335 -0.272 1.00 0.00 C ATOM 0 H VAL A 26 6.020 -1.906 -1.147 1.00 0.00 H new ATOM 0 HA VAL A 26 4.440 0.017 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 26 5.631 1.668 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.928 0.707 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.725 0.439 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.791 -0.891 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.277 0.853 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.266 -0.736 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.854 0.697 -1.001 1.00 0.00 H new ATOM 315 N LEU A 27 5.811 1.315 -4.020 1.00 0.00 N ATOM 316 CA LEU A 27 6.570 1.973 -5.058 1.00 0.00 C ATOM 317 C LEU A 27 7.168 3.274 -4.544 1.00 0.00 C ATOM 318 O LEU A 27 8.125 3.787 -5.123 1.00 0.00 O ATOM 319 CB LEU A 27 5.700 2.229 -6.290 1.00 0.00 C ATOM 320 CG LEU A 27 5.143 0.971 -6.963 1.00 0.00 C ATOM 321 CD1 LEU A 27 4.271 1.342 -8.152 1.00 0.00 C ATOM 322 CD2 LEU A 27 6.275 0.054 -7.404 1.00 0.00 C ATOM 0 H LEU A 27 4.815 1.533 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 27 7.386 1.313 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.865 2.867 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.287 2.784 -7.022 1.00 0.00 H new ATOM 0 HG LEU A 27 4.529 0.439 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.885 0.435 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.439 1.959 -7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.864 1.898 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.859 -0.834 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.914 0.580 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.863 -0.242 -6.535 1.00 0.00 H new ATOM 334 N ASP A 28 6.609 3.809 -3.449 1.00 0.00 N ATOM 335 CA ASP A 28 7.121 5.065 -2.887 1.00 0.00 C ATOM 336 C ASP A 28 6.705 5.261 -1.429 1.00 0.00 C ATOM 337 O ASP A 28 6.449 4.297 -0.709 1.00 0.00 O ATOM 338 CB ASP A 28 6.635 6.259 -3.717 1.00 0.00 C ATOM 339 CG ASP A 28 7.255 6.315 -5.099 1.00 0.00 C ATOM 340 OD1 ASP A 28 8.497 6.424 -5.188 1.00 0.00 O ATOM 341 OD2 ASP A 28 6.501 6.247 -6.092 1.00 0.00 O ATOM 0 H ASP A 28 5.821 3.403 -2.945 1.00 0.00 H new ATOM 0 HA ASP A 28 8.209 5.005 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.550 6.209 -3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.865 7.182 -3.184 1.00 0.00 H new ATOM 346 N ARG A 29 6.647 6.527 -1.002 1.00 0.00 N ATOM 347 CA ARG A 29 6.274 6.865 0.369 1.00 0.00 C ATOM 348 C ARG A 29 6.022 8.363 0.527 1.00 0.00 C ATOM 349 O ARG A 29 6.943 9.173 0.420 1.00 0.00 O ATOM 350 CB ARG A 29 7.378 6.432 1.333 1.00 0.00 C ATOM 351 CG ARG A 29 7.195 6.946 2.752 1.00 0.00 C ATOM 352 CD ARG A 29 8.366 6.555 3.640 1.00 0.00 C ATOM 353 NE ARG A 29 9.641 7.041 3.115 1.00 0.00 N ATOM 354 CZ ARG A 29 9.943 8.329 2.971 1.00 0.00 C ATOM 355 NH1 ARG A 29 9.070 9.266 3.315 1.00 0.00 N ATOM 356 NH2 ARG A 29 11.124 8.682 2.482 1.00 0.00 N ATOM 0 H ARG A 29 6.855 7.334 -1.590 1.00 0.00 H new ATOM 0 HA ARG A 29 5.350 6.335 0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.421 5.343 1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.337 6.782 0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.094 8.031 2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.271 6.546 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.210 6.956 4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.403 5.470 3.733 1.00 0.00 H new ATOM 0 HE ARG A 29 10.341 6.351 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.160 9.001 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.308 10.251 3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.801 7.966 2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.356 9.669 2.371 1.00 0.00 H new ATOM 370 N ARG A 30 4.774 8.718 0.805 1.00 0.00 N ATOM 371 CA ARG A 30 4.396 10.113 1.009 1.00 0.00 C ATOM 372 C ARG A 30 3.136 10.192 1.863 1.00 0.00 C ATOM 373 O ARG A 30 2.132 9.561 1.548 1.00 0.00 O ATOM 374 CB ARG A 30 4.168 10.816 -0.333 1.00 0.00 C ATOM 375 CG ARG A 30 3.022 10.234 -1.143 1.00 0.00 C ATOM 376 CD ARG A 30 2.794 11.014 -2.427 1.00 0.00 C ATOM 377 NE ARG A 30 1.692 10.465 -3.212 1.00 0.00 N ATOM 378 CZ ARG A 30 1.270 10.990 -4.357 1.00 0.00 C ATOM 379 NH1 ARG A 30 1.854 12.075 -4.848 1.00 0.00 N ATOM 380 NH2 ARG A 30 0.263 10.430 -5.015 1.00 0.00 N ATOM 0 H ARG A 30 4.002 8.057 0.895 1.00 0.00 H new ATOM 0 HA ARG A 30 5.211 10.619 1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.972 11.873 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.083 10.759 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.237 9.192 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.111 10.242 -0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.583 12.056 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.706 11.003 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 30 1.220 9.632 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.629 12.508 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.528 12.476 -5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.188 9.595 -4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.060 10.835 -5.894 1.00 0.00 H new ATOM 394 N VAL A 31 3.185 10.961 2.943 1.00 0.00 N ATOM 395 CA VAL A 31 2.027 11.095 3.819 1.00 0.00 C ATOM 396 C VAL A 31 1.117 12.227 3.360 1.00 0.00 C ATOM 397 O VAL A 31 1.581 13.272 2.904 1.00 0.00 O ATOM 398 CB VAL A 31 2.432 11.329 5.288 1.00 0.00 C ATOM 399 CG1 VAL A 31 3.135 12.650 5.435 1.00 0.00 C ATOM 400 CG2 VAL A 31 1.223 11.286 6.204 1.00 0.00 C ATOM 0 H VAL A 31 4.004 11.496 3.232 1.00 0.00 H new ATOM 0 HA VAL A 31 1.487 10.150 3.759 1.00 0.00 H new ATOM 0 HB VAL A 31 3.112 10.527 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.414 12.800 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.031 12.656 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.470 13.453 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.540 11.454 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.516 12.062 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.743 10.310 6.127 1.00 0.00 H new ATOM 410 N VAL A 32 -0.183 12.007 3.493 1.00 0.00 N ATOM 411 CA VAL A 32 -1.179 12.991 3.107 1.00 0.00 C ATOM 412 C VAL A 32 -2.295 13.036 4.141 1.00 0.00 C ATOM 413 O VAL A 32 -2.665 12.006 4.702 1.00 0.00 O ATOM 414 CB VAL A 32 -1.777 12.684 1.721 1.00 0.00 C ATOM 415 CG1 VAL A 32 -0.702 12.751 0.647 1.00 0.00 C ATOM 416 CG2 VAL A 32 -2.458 11.323 1.717 1.00 0.00 C ATOM 0 H VAL A 32 -0.574 11.144 3.870 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.681 13.959 3.055 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.530 13.441 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.144 12.531 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.267 13.750 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.076 12.020 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.873 11.127 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.729 10.551 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.260 11.315 2.455 1.00 0.00 H new ATOM 426 N LYS A 33 -2.808 14.236 4.396 1.00 0.00 N ATOM 427 CA LYS A 33 -3.874 14.440 5.374 1.00 0.00 C ATOM 428 C LYS A 33 -3.602 13.679 6.673 1.00 0.00 C ATOM 429 O LYS A 33 -4.513 13.117 7.281 1.00 0.00 O ATOM 430 CB LYS A 33 -5.247 14.063 4.792 1.00 0.00 C ATOM 431 CG LYS A 33 -5.377 12.610 4.360 1.00 0.00 C ATOM 432 CD LYS A 33 -6.734 12.338 3.728 1.00 0.00 C ATOM 433 CE LYS A 33 -6.838 10.909 3.220 1.00 0.00 C ATOM 434 NZ LYS A 33 -5.824 10.618 2.168 1.00 0.00 N ATOM 0 H LYS A 33 -2.499 15.091 3.934 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.892 15.503 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.013 14.276 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.451 14.703 3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.588 12.368 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.239 11.959 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.520 12.523 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.897 13.031 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.706 10.217 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.837 10.738 2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.260 10.050 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.472 11.511 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.032 10.089 2.586 1.00 0.00 H new ATOM 448 N GLY A 34 -2.340 13.693 7.108 1.00 0.00 N ATOM 449 CA GLY A 34 -1.967 13.032 8.349 1.00 0.00 C ATOM 450 C GLY A 34 -1.622 11.556 8.204 1.00 0.00 C ATOM 451 O GLY A 34 -0.875 11.017 9.022 1.00 0.00 O ATOM 0 H GLY A 34 -1.570 14.151 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.110 13.551 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.788 13.131 9.059 1.00 0.00 H new ATOM 455 N LYS A 35 -2.168 10.890 7.192 1.00 0.00 N ATOM 456 CA LYS A 35 -1.910 9.472 6.995 1.00 0.00 C ATOM 457 C LYS A 35 -0.942 9.233 5.846 1.00 0.00 C ATOM 458 O LYS A 35 -1.123 9.744 4.744 1.00 0.00 O ATOM 459 CB LYS A 35 -3.212 8.734 6.732 1.00 0.00 C ATOM 460 CG LYS A 35 -3.902 9.157 5.450 1.00 0.00 C ATOM 461 CD LYS A 35 -5.113 8.286 5.165 1.00 0.00 C ATOM 462 CE LYS A 35 -6.185 8.440 6.233 1.00 0.00 C ATOM 463 NZ LYS A 35 -6.667 9.845 6.339 1.00 0.00 N ATOM 0 H LYS A 35 -2.789 11.309 6.500 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.452 9.090 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.011 7.664 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.889 8.899 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.211 10.200 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.201 9.093 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.529 8.549 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.804 7.242 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.025 7.785 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.787 8.119 7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.354 10.252 7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.278 10.406 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.706 9.860 6.294 1.00 0.00 H new ATOM 477 N VAL A 36 0.091 8.454 6.121 1.00 0.00 N ATOM 478 CA VAL A 36 1.109 8.141 5.125 1.00 0.00 C ATOM 479 C VAL A 36 0.566 7.178 4.075 1.00 0.00 C ATOM 480 O VAL A 36 0.105 6.089 4.412 1.00 0.00 O ATOM 481 CB VAL A 36 2.347 7.491 5.772 1.00 0.00 C ATOM 482 CG1 VAL A 36 3.553 7.609 4.855 1.00 0.00 C ATOM 483 CG2 VAL A 36 2.631 8.098 7.137 1.00 0.00 C ATOM 0 H VAL A 36 0.249 8.023 7.032 1.00 0.00 H new ATOM 0 HA VAL A 36 1.391 9.085 4.659 1.00 0.00 H new ATOM 0 HB VAL A 36 2.138 6.431 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.417 7.144 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.343 7.106 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.765 8.661 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.510 7.621 7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.814 9.167 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.773 7.941 7.791 1.00 0.00 H new ATOM 493 N GLU A 37 0.637 7.561 2.803 1.00 0.00 N ATOM 494 CA GLU A 37 0.162 6.691 1.732 1.00 0.00 C ATOM 495 C GLU A 37 1.339 6.093 0.966 1.00 0.00 C ATOM 496 O GLU A 37 2.221 6.812 0.495 1.00 0.00 O ATOM 497 CB GLU A 37 -0.771 7.446 0.776 1.00 0.00 C ATOM 498 CG GLU A 37 -0.100 8.583 0.027 1.00 0.00 C ATOM 499 CD GLU A 37 -1.058 9.340 -0.872 1.00 0.00 C ATOM 500 OE1 GLU A 37 -2.252 8.976 -0.911 1.00 0.00 O ATOM 501 OE2 GLU A 37 -0.613 10.300 -1.537 1.00 0.00 O ATOM 0 H GLU A 37 1.014 8.456 2.491 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.407 5.880 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.181 6.741 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.611 7.845 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.341 9.275 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.717 8.184 -0.574 1.00 0.00 H new ATOM 508 N TYR A 38 1.339 4.772 0.845 1.00 0.00 N ATOM 509 CA TYR A 38 2.397 4.061 0.135 1.00 0.00 C ATOM 510 C TYR A 38 1.887 3.499 -1.182 1.00 0.00 C ATOM 511 O TYR A 38 0.952 2.699 -1.205 1.00 0.00 O ATOM 512 CB TYR A 38 2.956 2.926 0.994 1.00 0.00 C ATOM 513 CG TYR A 38 3.884 3.388 2.096 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.387 3.873 3.298 1.00 0.00 C ATOM 515 CD2 TYR A 38 5.262 3.329 1.931 1.00 0.00 C ATOM 516 CE1 TYR A 38 4.239 4.287 4.305 1.00 0.00 C ATOM 517 CE2 TYR A 38 6.121 3.739 2.931 1.00 0.00 C ATOM 518 CZ TYR A 38 5.605 4.218 4.117 1.00 0.00 C ATOM 519 OH TYR A 38 6.454 4.628 5.118 1.00 0.00 O ATOM 0 H TYR A 38 0.614 4.167 1.231 1.00 0.00 H new ATOM 0 HA TYR A 38 3.193 4.776 -0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.125 2.378 1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.492 2.227 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.319 3.928 3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.669 2.955 1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.838 4.663 5.235 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.190 3.685 2.786 1.00 0.00 H new ATOM 0 HH TYR A 38 6.028 4.481 5.988 1.00 0.00 H new ATOM 529 N LEU A 39 2.524 3.903 -2.276 1.00 0.00 N ATOM 530 CA LEU A 39 2.148 3.413 -3.592 1.00 0.00 C ATOM 531 C LEU A 39 2.310 1.901 -3.613 1.00 0.00 C ATOM 532 O LEU A 39 3.229 1.377 -2.995 1.00 0.00 O ATOM 533 CB LEU A 39 3.012 4.075 -4.673 1.00 0.00 C ATOM 534 CG LEU A 39 2.651 3.715 -6.116 1.00 0.00 C ATOM 535 CD1 LEU A 39 1.162 3.870 -6.345 1.00 0.00 C ATOM 536 CD2 LEU A 39 3.429 4.584 -7.092 1.00 0.00 C ATOM 0 H LEU A 39 3.299 4.566 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 39 1.109 3.666 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.941 5.157 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.053 3.803 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 39 2.921 2.673 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.923 3.610 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.619 3.209 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.870 4.903 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.160 4.314 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.188 5.633 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.498 4.429 -6.945 1.00 0.00 H new ATOM 548 N LEU A 40 1.407 1.190 -4.279 1.00 0.00 N ATOM 549 CA LEU A 40 1.485 -0.267 -4.301 1.00 0.00 C ATOM 550 C LEU A 40 1.046 -0.855 -5.634 1.00 0.00 C ATOM 551 O LEU A 40 -0.016 -0.522 -6.158 1.00 0.00 O ATOM 552 CB LEU A 40 0.632 -0.844 -3.167 1.00 0.00 C ATOM 553 CG LEU A 40 1.153 -0.538 -1.762 1.00 0.00 C ATOM 554 CD1 LEU A 40 0.152 -0.933 -0.697 1.00 0.00 C ATOM 555 CD2 LEU A 40 2.457 -1.262 -1.521 1.00 0.00 C ATOM 0 H LEU A 40 0.627 1.588 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 40 2.531 -0.541 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.382 -0.454 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.570 -1.925 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 40 1.312 0.538 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.558 -0.700 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.776 -0.381 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.047 -2.003 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.818 -1.037 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.300 -2.336 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.195 -0.936 -2.254 1.00 0.00 H new ATOM 567 N LYS A 41 1.874 -1.752 -6.166 1.00 0.00 N ATOM 568 CA LYS A 41 1.577 -2.417 -7.428 1.00 0.00 C ATOM 569 C LYS A 41 0.597 -3.559 -7.177 1.00 0.00 C ATOM 570 O LYS A 41 0.985 -4.728 -7.145 1.00 0.00 O ATOM 571 CB LYS A 41 2.870 -2.939 -8.072 1.00 0.00 C ATOM 572 CG LYS A 41 2.766 -3.193 -9.572 1.00 0.00 C ATOM 573 CD LYS A 41 1.845 -4.360 -9.895 1.00 0.00 C ATOM 574 CE LYS A 41 1.733 -4.586 -11.393 1.00 0.00 C ATOM 575 NZ LYS A 41 1.198 -3.389 -12.098 1.00 0.00 N ATOM 0 H LYS A 41 2.757 -2.034 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 41 1.123 -1.705 -8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.668 -2.219 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.160 -3.866 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.398 -2.294 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.759 -3.394 -9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.222 -5.264 -9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.855 -4.169 -9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.714 -4.836 -11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.083 -5.440 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.962 -3.641 -13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.343 -3.053 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.915 -2.636 -12.097 1.00 0.00 H new ATOM 589 N TRP A 42 -0.669 -3.210 -6.970 1.00 0.00 N ATOM 590 CA TRP A 42 -1.698 -4.205 -6.695 1.00 0.00 C ATOM 591 C TRP A 42 -1.690 -5.301 -7.759 1.00 0.00 C ATOM 592 O TRP A 42 -1.784 -5.026 -8.956 1.00 0.00 O ATOM 593 CB TRP A 42 -3.071 -3.530 -6.596 1.00 0.00 C ATOM 594 CG TRP A 42 -3.064 -2.355 -5.664 1.00 0.00 C ATOM 595 CD1 TRP A 42 -3.022 -1.031 -6.006 1.00 0.00 C ATOM 596 CD2 TRP A 42 -3.059 -2.397 -4.233 1.00 0.00 C ATOM 597 NE1 TRP A 42 -3.002 -0.253 -4.875 1.00 0.00 N ATOM 598 CE2 TRP A 42 -3.021 -1.066 -3.774 1.00 0.00 C ATOM 599 CE3 TRP A 42 -3.088 -3.431 -3.293 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -3.009 -0.745 -2.418 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -3.076 -3.111 -1.949 1.00 0.00 C ATOM 602 CH2 TRP A 42 -3.035 -1.778 -1.522 1.00 0.00 C ATOM 0 H TRP A 42 -1.006 -2.247 -6.988 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.483 -4.678 -5.737 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.384 -3.202 -7.587 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.807 -4.258 -6.254 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.007 -0.653 -7.018 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.977 0.767 -4.858 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.119 -4.462 -3.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.980 0.282 -2.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.099 -3.903 -1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.024 -1.561 -0.464 1.00 0.00 H new ATOM 613 N LYS A 43 -1.546 -6.541 -7.300 1.00 0.00 N ATOM 614 CA LYS A 43 -1.488 -7.703 -8.184 1.00 0.00 C ATOM 615 C LYS A 43 -2.703 -7.793 -9.097 1.00 0.00 C ATOM 616 O LYS A 43 -3.824 -7.486 -8.694 1.00 0.00 O ATOM 617 CB LYS A 43 -1.364 -8.984 -7.354 1.00 0.00 C ATOM 618 CG LYS A 43 -1.263 -10.251 -8.187 1.00 0.00 C ATOM 619 CD LYS A 43 -1.211 -11.489 -7.306 1.00 0.00 C ATOM 620 CE LYS A 43 -1.117 -12.762 -8.132 1.00 0.00 C ATOM 621 NZ LYS A 43 0.126 -12.804 -8.952 1.00 0.00 N ATOM 0 H LYS A 43 -1.466 -6.769 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.610 -7.587 -8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.483 -8.909 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.228 -9.063 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.119 -10.316 -8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.370 -10.208 -8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.352 -11.424 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.101 -11.527 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.144 -13.627 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.986 -12.835 -8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.255 -13.761 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.050 -12.122 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.943 -12.558 -8.357 1.00 0.00 H new ATOM 635 N GLY A 44 -2.459 -8.226 -10.332 1.00 0.00 N ATOM 636 CA GLY A 44 -3.527 -8.360 -11.303 1.00 0.00 C ATOM 637 C GLY A 44 -3.912 -7.036 -11.926 1.00 0.00 C ATOM 638 O GLY A 44 -4.121 -6.948 -13.136 1.00 0.00 O ATOM 0 H GLY A 44 -1.535 -8.487 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.216 -9.050 -12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.400 -8.798 -10.820 1.00 0.00 H new ATOM 642 N PHE A 45 -4.009 -6.004 -11.097 1.00 0.00 N ATOM 643 CA PHE A 45 -4.376 -4.679 -11.570 1.00 0.00 C ATOM 644 C PHE A 45 -3.233 -4.031 -12.346 1.00 0.00 C ATOM 645 O PHE A 45 -2.071 -4.114 -11.947 1.00 0.00 O ATOM 646 CB PHE A 45 -4.799 -3.790 -10.397 1.00 0.00 C ATOM 647 CG PHE A 45 -6.057 -4.253 -9.714 1.00 0.00 C ATOM 648 CD1 PHE A 45 -6.143 -5.526 -9.168 1.00 0.00 C ATOM 649 CD2 PHE A 45 -7.159 -3.419 -9.626 1.00 0.00 C ATOM 650 CE1 PHE A 45 -7.301 -5.954 -8.550 1.00 0.00 C ATOM 651 CE2 PHE A 45 -8.320 -3.842 -9.008 1.00 0.00 C ATOM 652 CZ PHE A 45 -8.391 -5.111 -8.469 1.00 0.00 C ATOM 0 H PHE A 45 -3.838 -6.061 -10.093 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.221 -4.788 -12.249 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.990 -3.757 -9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.945 -2.772 -10.758 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.293 -6.190 -9.227 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.110 -2.425 -10.046 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.354 -6.948 -8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.171 -3.180 -8.947 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.297 -5.443 -7.985 1.00 0.00 H new ATOM 662 N SER A 46 -3.577 -3.387 -13.459 1.00 0.00 N ATOM 663 CA SER A 46 -2.591 -2.720 -14.304 1.00 0.00 C ATOM 664 C SER A 46 -1.806 -1.677 -13.516 1.00 0.00 C ATOM 665 O SER A 46 -2.289 -1.153 -12.511 1.00 0.00 O ATOM 666 CB SER A 46 -3.276 -2.058 -15.500 1.00 0.00 C ATOM 667 OG SER A 46 -2.335 -1.397 -16.328 1.00 0.00 O ATOM 0 H SER A 46 -4.536 -3.313 -13.797 1.00 0.00 H new ATOM 0 HA SER A 46 -1.893 -3.477 -14.663 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.809 -2.811 -16.080 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.019 -1.343 -15.147 1.00 0.00 H new ATOM 0 HG SER A 46 -2.799 -0.984 -17.086 1.00 0.00 H new ATOM 673 N ASP A 47 -0.593 -1.383 -13.978 1.00 0.00 N ATOM 674 CA ASP A 47 0.264 -0.402 -13.319 1.00 0.00 C ATOM 675 C ASP A 47 -0.486 0.907 -13.085 1.00 0.00 C ATOM 676 O ASP A 47 -0.276 1.584 -12.081 1.00 0.00 O ATOM 677 CB ASP A 47 1.520 -0.144 -14.154 1.00 0.00 C ATOM 678 CG ASP A 47 2.347 -1.399 -14.358 1.00 0.00 C ATOM 679 OD1 ASP A 47 1.821 -2.370 -14.941 1.00 0.00 O ATOM 680 OD2 ASP A 47 3.522 -1.410 -13.935 1.00 0.00 O ATOM 0 H ASP A 47 -0.181 -1.811 -14.807 1.00 0.00 H new ATOM 0 HA ASP A 47 0.559 -0.808 -12.351 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.231 0.259 -15.125 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.130 0.614 -13.663 1.00 0.00 H new ATOM 685 N GLU A 48 -1.364 1.257 -14.019 1.00 0.00 N ATOM 686 CA GLU A 48 -2.149 2.476 -13.909 1.00 0.00 C ATOM 687 C GLU A 48 -3.148 2.369 -12.759 1.00 0.00 C ATOM 688 O GLU A 48 -3.388 3.339 -12.037 1.00 0.00 O ATOM 689 CB GLU A 48 -2.884 2.744 -15.223 1.00 0.00 C ATOM 690 CG GLU A 48 -1.964 2.887 -16.426 1.00 0.00 C ATOM 691 CD GLU A 48 -1.026 4.076 -16.316 1.00 0.00 C ATOM 692 OE1 GLU A 48 -0.189 4.092 -15.388 1.00 0.00 O ATOM 693 OE2 GLU A 48 -1.128 4.991 -17.160 1.00 0.00 O ATOM 0 H GLU A 48 -1.548 0.711 -14.861 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.475 3.307 -13.703 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.585 1.930 -15.409 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.474 3.655 -15.119 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.376 1.976 -16.537 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.567 2.989 -17.328 1.00 0.00 H new ATOM 700 N ASP A 49 -3.727 1.182 -12.600 1.00 0.00 N ATOM 701 CA ASP A 49 -4.704 0.925 -11.548 1.00 0.00 C ATOM 702 C ASP A 49 -4.105 1.140 -10.159 1.00 0.00 C ATOM 703 O ASP A 49 -4.837 1.294 -9.180 1.00 0.00 O ATOM 704 CB ASP A 49 -5.235 -0.502 -11.667 1.00 0.00 C ATOM 705 CG ASP A 49 -5.921 -0.758 -12.995 1.00 0.00 C ATOM 706 OD1 ASP A 49 -5.996 0.180 -13.817 1.00 0.00 O ATOM 707 OD2 ASP A 49 -6.384 -1.897 -13.214 1.00 0.00 O ATOM 0 H ASP A 49 -3.533 0.376 -13.194 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.523 1.633 -11.674 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.410 -1.204 -11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.938 -0.694 -10.856 1.00 0.00 H new ATOM 712 N ASN A 50 -2.774 1.139 -10.080 1.00 0.00 N ATOM 713 CA ASN A 50 -2.072 1.327 -8.810 1.00 0.00 C ATOM 714 C ASN A 50 -2.704 2.441 -7.984 1.00 0.00 C ATOM 715 O ASN A 50 -3.188 3.435 -8.527 1.00 0.00 O ATOM 716 CB ASN A 50 -0.597 1.636 -9.060 1.00 0.00 C ATOM 717 CG ASN A 50 0.182 0.417 -9.510 1.00 0.00 C ATOM 718 OD1 ASN A 50 -0.258 -0.326 -10.386 1.00 0.00 O ATOM 719 ND2 ASN A 50 1.353 0.212 -8.920 1.00 0.00 N ATOM 0 H ASN A 50 -2.159 1.010 -10.883 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.154 0.398 -8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.516 2.415 -9.818 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.152 2.031 -8.147 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.927 -0.587 -9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.679 0.854 -8.198 1.00 0.00 H new ATOM 726 N THR A 51 -2.707 2.256 -6.670 1.00 0.00 N ATOM 727 CA THR A 51 -3.292 3.230 -5.760 1.00 0.00 C ATOM 728 C THR A 51 -2.534 3.282 -4.435 1.00 0.00 C ATOM 729 O THR A 51 -2.279 2.251 -3.813 1.00 0.00 O ATOM 730 CB THR A 51 -4.771 2.896 -5.483 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.549 3.087 -6.670 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.328 3.753 -4.358 1.00 0.00 C ATOM 0 H THR A 51 -2.309 1.437 -6.210 1.00 0.00 H new ATOM 0 HA THR A 51 -3.222 4.205 -6.243 1.00 0.00 H new ATOM 0 HB THR A 51 -4.828 1.852 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.297 2.415 -7.338 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.373 3.494 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.756 3.575 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.255 4.805 -4.632 1.00 0.00 H new ATOM 740 N TRP A 52 -2.188 4.493 -4.006 1.00 0.00 N ATOM 741 CA TRP A 52 -1.474 4.683 -2.753 1.00 0.00 C ATOM 742 C TRP A 52 -2.398 4.378 -1.582 1.00 0.00 C ATOM 743 O TRP A 52 -3.442 5.013 -1.425 1.00 0.00 O ATOM 744 CB TRP A 52 -0.951 6.117 -2.658 1.00 0.00 C ATOM 745 CG TRP A 52 -0.131 6.532 -3.843 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.527 6.574 -5.150 1.00 0.00 C ATOM 747 CD2 TRP A 52 1.234 6.951 -3.826 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.513 6.989 -5.945 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.603 7.231 -5.156 1.00 0.00 C ATOM 750 CE3 TRP A 52 2.179 7.117 -2.816 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.880 7.668 -5.497 1.00 0.00 C ATOM 752 CZ3 TRP A 52 3.442 7.549 -3.153 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.785 7.822 -4.484 1.00 0.00 C ATOM 0 H TRP A 52 -2.392 5.356 -4.510 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.624 4.001 -2.719 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.796 6.798 -2.554 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.348 6.217 -1.755 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.514 6.318 -5.506 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.478 7.099 -6.958 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.925 6.910 -1.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.146 7.877 -6.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.182 7.680 -2.377 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.784 8.161 -4.714 1.00 0.00 H new ATOM 764 N GLU A 53 -2.025 3.394 -0.773 1.00 0.00 N ATOM 765 CA GLU A 53 -2.843 3.002 0.368 1.00 0.00 C ATOM 766 C GLU A 53 -2.183 3.399 1.687 1.00 0.00 C ATOM 767 O GLU A 53 -1.004 3.120 1.906 1.00 0.00 O ATOM 768 CB GLU A 53 -3.083 1.492 0.337 1.00 0.00 C ATOM 769 CG GLU A 53 -4.176 1.023 1.284 1.00 0.00 C ATOM 770 CD GLU A 53 -5.528 1.618 0.946 1.00 0.00 C ATOM 771 OE1 GLU A 53 -5.924 1.553 -0.237 1.00 0.00 O ATOM 772 OE2 GLU A 53 -6.198 2.135 1.864 1.00 0.00 O ATOM 0 H GLU A 53 -1.166 2.855 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.797 3.525 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.344 1.196 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.154 0.981 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.242 -0.064 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.908 1.293 2.306 1.00 0.00 H new ATOM 779 N PRO A 54 -2.937 4.054 2.590 1.00 0.00 N ATOM 780 CA PRO A 54 -2.420 4.481 3.893 1.00 0.00 C ATOM 781 C PRO A 54 -1.828 3.319 4.683 1.00 0.00 C ATOM 782 O PRO A 54 -2.368 2.212 4.676 1.00 0.00 O ATOM 783 CB PRO A 54 -3.646 5.055 4.616 1.00 0.00 C ATOM 784 CG PRO A 54 -4.825 4.583 3.834 1.00 0.00 C ATOM 785 CD PRO A 54 -4.349 4.427 2.420 1.00 0.00 C ATOM 0 HA PRO A 54 -1.610 5.202 3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.693 4.705 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.608 6.144 4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.200 3.637 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.644 5.300 3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.909 3.658 1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.458 5.351 1.853 1.00 0.00 H new ATOM 793 N GLU A 55 -0.713 3.582 5.352 1.00 0.00 N ATOM 794 CA GLU A 55 -0.024 2.571 6.144 1.00 0.00 C ATOM 795 C GLU A 55 -0.968 1.908 7.145 1.00 0.00 C ATOM 796 O GLU A 55 -0.847 0.714 7.422 1.00 0.00 O ATOM 797 CB GLU A 55 1.178 3.207 6.861 1.00 0.00 C ATOM 798 CG GLU A 55 1.962 2.253 7.753 1.00 0.00 C ATOM 799 CD GLU A 55 1.253 1.940 9.057 1.00 0.00 C ATOM 800 OE1 GLU A 55 0.968 2.888 9.820 1.00 0.00 O ATOM 801 OE2 GLU A 55 0.985 0.748 9.317 1.00 0.00 O ATOM 0 H GLU A 55 -0.262 4.497 5.361 1.00 0.00 H new ATOM 0 HA GLU A 55 0.334 1.790 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.853 3.621 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.823 4.041 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.142 1.324 7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.937 2.688 7.972 1.00 0.00 H new ATOM 808 N GLU A 56 -1.904 2.683 7.687 1.00 0.00 N ATOM 809 CA GLU A 56 -2.859 2.161 8.661 1.00 0.00 C ATOM 810 C GLU A 56 -3.541 0.896 8.144 1.00 0.00 C ATOM 811 O GLU A 56 -3.597 -0.116 8.841 1.00 0.00 O ATOM 812 CB GLU A 56 -3.909 3.221 8.998 1.00 0.00 C ATOM 813 CG GLU A 56 -3.324 4.481 9.617 1.00 0.00 C ATOM 814 CD GLU A 56 -4.385 5.502 9.975 1.00 0.00 C ATOM 815 OE1 GLU A 56 -5.111 5.950 9.063 1.00 0.00 O ATOM 816 OE2 GLU A 56 -4.491 5.853 11.170 1.00 0.00 O ATOM 0 H GLU A 56 -2.022 3.672 7.469 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.307 1.905 9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.448 3.489 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.638 2.793 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.764 4.215 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.615 4.928 8.920 1.00 0.00 H new ATOM 823 N ASN A 57 -4.051 0.956 6.917 1.00 0.00 N ATOM 824 CA ASN A 57 -4.718 -0.193 6.313 1.00 0.00 C ATOM 825 C ASN A 57 -3.716 -1.284 5.961 1.00 0.00 C ATOM 826 O ASN A 57 -4.015 -2.473 6.074 1.00 0.00 O ATOM 827 CB ASN A 57 -5.489 0.220 5.058 1.00 0.00 C ATOM 828 CG ASN A 57 -6.656 1.137 5.367 1.00 0.00 C ATOM 829 OD1 ASN A 57 -6.725 2.264 4.670 1.00 0.00 O flip ATOM 830 ND2 ASN A 57 -7.494 0.827 6.213 1.00 0.00 N flip ATOM 0 H ASN A 57 -4.015 1.785 6.324 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.422 -0.585 7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.811 0.721 4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.857 -0.672 4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.401 -0.050 6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.282 1.447 6.402 1.00 0.00 H new ATOM 837 N LEU A 58 -2.533 -0.871 5.518 1.00 0.00 N ATOM 838 CA LEU A 58 -1.488 -1.810 5.129 1.00 0.00 C ATOM 839 C LEU A 58 -1.218 -2.829 6.230 1.00 0.00 C ATOM 840 O LEU A 58 -0.997 -2.469 7.386 1.00 0.00 O ATOM 841 CB LEU A 58 -0.192 -1.065 4.794 1.00 0.00 C ATOM 842 CG LEU A 58 -0.333 0.089 3.797 1.00 0.00 C ATOM 843 CD1 LEU A 58 1.034 0.605 3.384 1.00 0.00 C ATOM 844 CD2 LEU A 58 -1.129 -0.342 2.578 1.00 0.00 C ATOM 0 H LEU A 58 -2.274 0.111 5.419 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.840 -2.341 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.231 -0.673 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.525 -1.782 4.394 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.875 0.897 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.915 1.425 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.570 0.961 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.600 -0.200 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.215 0.495 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.620 -1.170 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.124 -0.661 2.887 1.00 0.00 H new ATOM 856 N ASP A 59 -1.223 -4.104 5.854 1.00 0.00 N ATOM 857 CA ASP A 59 -0.963 -5.186 6.795 1.00 0.00 C ATOM 858 C ASP A 59 0.296 -5.938 6.375 1.00 0.00 C ATOM 859 O ASP A 59 0.325 -7.169 6.349 1.00 0.00 O ATOM 860 CB ASP A 59 -2.159 -6.142 6.857 1.00 0.00 C ATOM 861 CG ASP A 59 -1.989 -7.214 7.917 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.851 -6.856 9.106 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.995 -8.410 7.558 1.00 0.00 O ATOM 0 H ASP A 59 -1.405 -4.413 4.899 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.812 -4.764 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.065 -5.573 7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.293 -6.615 5.884 1.00 0.00 H new ATOM 868 N CYS A 60 1.331 -5.179 6.028 1.00 0.00 N ATOM 869 CA CYS A 60 2.594 -5.756 5.587 1.00 0.00 C ATOM 870 C CYS A 60 3.734 -4.747 5.716 1.00 0.00 C ATOM 871 O CYS A 60 4.356 -4.371 4.721 1.00 0.00 O ATOM 872 CB CYS A 60 2.473 -6.230 4.137 1.00 0.00 C ATOM 873 SG CYS A 60 1.972 -4.937 2.977 1.00 0.00 S ATOM 0 H CYS A 60 1.318 -4.159 6.044 1.00 0.00 H new ATOM 0 HA CYS A 60 2.822 -6.608 6.227 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.432 -6.637 3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.750 -7.044 4.091 1.00 0.00 H new ATOM 0 HG CYS A 60 2.768 -3.916 3.095 1.00 0.00 H new ATOM 879 N PRO A 61 4.029 -4.294 6.950 1.00 0.00 N ATOM 880 CA PRO A 61 5.103 -3.326 7.204 1.00 0.00 C ATOM 881 C PRO A 61 6.429 -3.757 6.586 1.00 0.00 C ATOM 882 O PRO A 61 7.290 -2.926 6.299 1.00 0.00 O ATOM 883 CB PRO A 61 5.207 -3.301 8.731 1.00 0.00 C ATOM 884 CG PRO A 61 3.856 -3.706 9.208 1.00 0.00 C ATOM 885 CD PRO A 61 3.343 -4.694 8.197 1.00 0.00 C ATOM 0 HA PRO A 61 4.887 -2.353 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.975 -3.988 9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.474 -2.308 9.094 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.910 -4.154 10.200 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.193 -2.844 9.283 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.585 -5.719 8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.259 -4.639 8.095 1.00 0.00 H new ATOM 893 N ASP A 62 6.584 -5.063 6.392 1.00 0.00 N ATOM 894 CA ASP A 62 7.803 -5.620 5.815 1.00 0.00 C ATOM 895 C ASP A 62 8.152 -4.948 4.489 1.00 0.00 C ATOM 896 O ASP A 62 9.324 -4.695 4.206 1.00 0.00 O ATOM 897 CB ASP A 62 7.654 -7.129 5.611 1.00 0.00 C ATOM 898 CG ASP A 62 7.412 -7.869 6.912 1.00 0.00 C ATOM 899 OD1 ASP A 62 6.388 -7.592 7.572 1.00 0.00 O ATOM 900 OD2 ASP A 62 8.248 -8.724 7.272 1.00 0.00 O ATOM 0 H ASP A 62 5.876 -5.759 6.627 1.00 0.00 H new ATOM 0 HA ASP A 62 8.616 -5.430 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.826 -7.320 4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.555 -7.519 5.137 1.00 0.00 H new ATOM 905 N LEU A 63 7.138 -4.657 3.676 1.00 0.00 N ATOM 906 CA LEU A 63 7.362 -4.014 2.391 1.00 0.00 C ATOM 907 C LEU A 63 7.818 -2.576 2.590 1.00 0.00 C ATOM 908 O LEU A 63 8.713 -2.098 1.893 1.00 0.00 O ATOM 909 CB LEU A 63 6.093 -4.054 1.542 1.00 0.00 C ATOM 910 CG LEU A 63 5.547 -5.455 1.261 1.00 0.00 C ATOM 911 CD1 LEU A 63 4.300 -5.371 0.403 1.00 0.00 C ATOM 912 CD2 LEU A 63 6.601 -6.320 0.583 1.00 0.00 C ATOM 0 H LEU A 63 6.160 -4.857 3.886 1.00 0.00 H new ATOM 0 HA LEU A 63 8.146 -4.560 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.319 -3.473 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.295 -3.561 0.591 1.00 0.00 H new ATOM 0 HG LEU A 63 5.287 -5.919 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.922 -6.375 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.539 -4.790 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.541 -4.887 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.190 -7.312 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.895 -5.862 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.473 -6.406 1.231 1.00 0.00 H new ATOM 924 N ILE A 64 7.208 -1.899 3.557 1.00 0.00 N ATOM 925 CA ILE A 64 7.566 -0.521 3.859 1.00 0.00 C ATOM 926 C ILE A 64 9.047 -0.438 4.204 1.00 0.00 C ATOM 927 O ILE A 64 9.772 0.407 3.682 1.00 0.00 O ATOM 928 CB ILE A 64 6.733 0.052 5.031 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.256 0.188 4.641 1.00 0.00 C ATOM 930 CG2 ILE A 64 7.288 1.399 5.473 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.538 -1.133 4.466 1.00 0.00 C ATOM 0 H ILE A 64 6.466 -2.282 4.143 1.00 0.00 H new ATOM 0 HA ILE A 64 7.351 0.075 2.972 1.00 0.00 H new ATOM 0 HB ILE A 64 6.803 -0.646 5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.742 0.770 5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.188 0.752 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.690 1.786 6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.321 1.277 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.252 2.099 4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.499 -0.949 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.025 -1.710 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.572 -1.692 5.401 1.00 0.00 H new ATOM 943 N ALA A 65 9.489 -1.340 5.075 1.00 0.00 N ATOM 944 CA ALA A 65 10.885 -1.390 5.480 1.00 0.00 C ATOM 945 C ALA A 65 11.768 -1.742 4.289 1.00 0.00 C ATOM 946 O ALA A 65 12.837 -1.163 4.102 1.00 0.00 O ATOM 947 CB ALA A 65 11.071 -2.401 6.602 1.00 0.00 C ATOM 0 H ALA A 65 8.898 -2.046 5.513 1.00 0.00 H new ATOM 0 HA ALA A 65 11.180 -0.407 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.120 -2.429 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.462 -2.111 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.765 -3.388 6.257 1.00 0.00 H new ATOM 953 N GLU A 66 11.300 -2.690 3.480 1.00 0.00 N ATOM 954 CA GLU A 66 12.028 -3.124 2.293 1.00 0.00 C ATOM 955 C GLU A 66 12.326 -1.934 1.390 1.00 0.00 C ATOM 956 O GLU A 66 13.403 -1.836 0.801 1.00 0.00 O ATOM 957 CB GLU A 66 11.211 -4.171 1.524 1.00 0.00 C ATOM 958 CG GLU A 66 11.900 -4.685 0.267 1.00 0.00 C ATOM 959 CD GLU A 66 13.184 -5.439 0.560 1.00 0.00 C ATOM 960 OE1 GLU A 66 13.514 -5.617 1.751 1.00 0.00 O ATOM 961 OE2 GLU A 66 13.857 -5.858 -0.405 1.00 0.00 O ATOM 0 H GLU A 66 10.414 -3.174 3.628 1.00 0.00 H new ATOM 0 HA GLU A 66 12.971 -3.571 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.004 -5.013 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.249 -3.738 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.216 -5.340 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.121 -3.843 -0.389 1.00 0.00 H new ATOM 968 N PHE A 67 11.355 -1.036 1.289 1.00 0.00 N ATOM 969 CA PHE A 67 11.482 0.157 0.466 1.00 0.00 C ATOM 970 C PHE A 67 12.681 1.008 0.887 1.00 0.00 C ATOM 971 O PHE A 67 13.562 1.295 0.075 1.00 0.00 O ATOM 972 CB PHE A 67 10.187 0.960 0.566 1.00 0.00 C ATOM 973 CG PHE A 67 10.235 2.322 -0.060 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.666 2.503 -1.364 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.831 3.425 0.668 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.693 3.764 -1.926 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.858 4.684 0.118 1.00 0.00 C ATOM 978 CZ PHE A 67 10.288 4.859 -1.184 1.00 0.00 C ATOM 0 H PHE A 67 10.461 -1.114 1.774 1.00 0.00 H new ATOM 0 HA PHE A 67 11.655 -0.142 -0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.386 0.389 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.926 1.070 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.984 1.651 -1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.489 3.296 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.030 3.895 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.544 5.536 0.702 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.308 5.847 -1.620 1.00 0.00 H new ATOM 988 N LEU A 68 12.710 1.412 2.154 1.00 0.00 N ATOM 989 CA LEU A 68 13.796 2.233 2.676 1.00 0.00 C ATOM 990 C LEU A 68 15.140 1.522 2.559 1.00 0.00 C ATOM 991 O LEU A 68 16.137 2.130 2.170 1.00 0.00 O ATOM 992 CB LEU A 68 13.512 2.602 4.131 1.00 0.00 C ATOM 993 CG LEU A 68 12.358 3.589 4.335 1.00 0.00 C ATOM 994 CD1 LEU A 68 11.075 3.075 3.707 1.00 0.00 C ATOM 995 CD2 LEU A 68 12.145 3.850 5.811 1.00 0.00 C ATOM 0 H LEU A 68 11.991 1.183 2.840 1.00 0.00 H new ATOM 0 HA LEU A 68 13.853 3.143 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.292 1.690 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.416 3.029 4.565 1.00 0.00 H new ATOM 0 HG LEU A 68 12.626 4.523 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.276 3.798 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.225 2.934 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.802 2.124 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.322 4.553 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.906 2.914 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.054 4.272 6.241 1.00 0.00 H new ATOM 1007 N GLN A 69 15.160 0.232 2.888 1.00 0.00 N ATOM 1008 CA GLN A 69 16.388 -0.556 2.807 1.00 0.00 C ATOM 1009 C GLN A 69 17.009 -0.417 1.424 1.00 0.00 C ATOM 1010 O GLN A 69 18.228 -0.321 1.285 1.00 0.00 O ATOM 1011 CB GLN A 69 16.104 -2.029 3.112 1.00 0.00 C ATOM 1012 CG GLN A 69 15.621 -2.277 4.531 1.00 0.00 C ATOM 1013 CD GLN A 69 15.330 -3.740 4.800 1.00 0.00 C ATOM 1014 OE1 GLN A 69 14.082 -4.042 5.145 1.00 0.00 O flip ATOM 1015 NE2 GLN A 69 16.213 -4.590 4.696 1.00 0.00 N flip ATOM 0 H GLN A 69 14.344 -0.288 3.212 1.00 0.00 H new ATOM 0 HA GLN A 69 17.090 -0.179 3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.354 -2.397 2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 69 17.011 -2.608 2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.376 -1.925 5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.719 -1.692 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 69 17.158 -4.314 4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.000 -5.571 4.877 1.00 0.00 H new ATOM 1024 N SER A 70 16.156 -0.391 0.405 1.00 0.00 N ATOM 1025 CA SER A 70 16.611 -0.244 -0.969 1.00 0.00 C ATOM 1026 C SER A 70 17.290 1.106 -1.153 1.00 0.00 C ATOM 1027 O SER A 70 18.346 1.208 -1.779 1.00 0.00 O ATOM 1028 CB SER A 70 15.428 -0.358 -1.934 1.00 0.00 C ATOM 1029 OG SER A 70 15.862 -0.299 -3.282 1.00 0.00 O ATOM 0 H SER A 70 15.144 -0.470 0.507 1.00 0.00 H new ATOM 0 HA SER A 70 17.325 -1.039 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.901 -1.296 -1.759 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.719 0.447 -1.741 1.00 0.00 H new ATOM 0 HG SER A 70 15.088 -0.375 -3.878 1.00 0.00 H new ATOM 1035 N GLN A 71 16.666 2.141 -0.602 1.00 0.00 N ATOM 1036 CA GLN A 71 17.186 3.498 -0.694 1.00 0.00 C ATOM 1037 C GLN A 71 18.251 3.753 0.368 1.00 0.00 C ATOM 1038 O GLN A 71 18.317 4.841 0.942 1.00 0.00 O ATOM 1039 CB GLN A 71 16.036 4.490 -0.539 1.00 0.00 C ATOM 1040 CG GLN A 71 14.848 4.163 -1.427 1.00 0.00 C ATOM 1041 CD GLN A 71 13.659 5.063 -1.173 1.00 0.00 C ATOM 1042 OE1 GLN A 71 13.172 5.168 -0.047 1.00 0.00 O ATOM 1043 NE2 GLN A 71 13.177 5.710 -2.225 1.00 0.00 N ATOM 0 H GLN A 71 15.792 2.063 -0.083 1.00 0.00 H new ATOM 0 HA GLN A 71 17.653 3.628 -1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.712 4.503 0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.394 5.492 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.147 4.250 -2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.554 3.126 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.613 5.593 -3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.370 6.325 -2.120 1.00 0.00 H new ATOM 1052 N LYS A 72 19.087 2.750 0.622 1.00 0.00 N ATOM 1053 CA LYS A 72 20.149 2.882 1.613 1.00 0.00 C ATOM 1054 C LYS A 72 21.114 3.985 1.200 1.00 0.00 C ATOM 1055 O LYS A 72 21.722 3.911 0.131 1.00 0.00 O ATOM 1056 CB LYS A 72 20.899 1.559 1.770 1.00 0.00 C ATOM 1057 CG LYS A 72 22.001 1.608 2.819 1.00 0.00 C ATOM 1058 CD LYS A 72 22.691 0.259 2.992 1.00 0.00 C ATOM 1059 CE LYS A 72 23.508 -0.132 1.767 1.00 0.00 C ATOM 1060 NZ LYS A 72 22.651 -0.453 0.592 1.00 0.00 N ATOM 0 H LYS A 72 19.050 1.842 0.158 1.00 0.00 H new ATOM 0 HA LYS A 72 19.701 3.144 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.188 0.777 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.334 1.281 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.739 2.358 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.579 1.923 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.343 0.296 3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.941 -0.508 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.183 0.684 1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.128 -0.995 2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 23.036 -1.284 0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.684 -0.658 0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 22.635 0.359 -0.058 1.00 0.00 H new ATOM 1074 N THR A 73 21.238 5.008 2.049 1.00 0.00 N ATOM 1075 CA THR A 73 22.117 6.148 1.781 1.00 0.00 C ATOM 1076 C THR A 73 22.083 6.528 0.302 1.00 0.00 C ATOM 1077 O THR A 73 23.101 6.908 -0.280 1.00 0.00 O ATOM 1078 CB THR A 73 23.575 5.871 2.219 1.00 0.00 C ATOM 1079 OG1 THR A 73 24.377 7.038 2.008 1.00 0.00 O ATOM 1080 CG2 THR A 73 24.178 4.700 1.456 1.00 0.00 C ATOM 0 H THR A 73 20.736 5.069 2.935 1.00 0.00 H new ATOM 0 HA THR A 73 21.741 6.983 2.372 1.00 0.00 H new ATOM 0 HB THR A 73 23.559 5.615 3.278 1.00 0.00 H new ATOM 0 HG1 THR A 73 24.261 7.352 1.087 1.00 0.00 H new ATOM 0 HG21 THR A 73 25.202 4.536 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 73 23.588 3.803 1.641 1.00 0.00 H new ATOM 0 HG23 THR A 73 24.177 4.922 0.389 1.00 0.00 H new ATOM 1088 N ALA A 74 20.897 6.413 -0.295 1.00 0.00 N ATOM 1089 CA ALA A 74 20.696 6.725 -1.707 1.00 0.00 C ATOM 1090 C ALA A 74 21.511 5.793 -2.597 1.00 0.00 C ATOM 1091 O ALA A 74 22.727 5.678 -2.447 1.00 0.00 O ATOM 1092 CB ALA A 74 21.049 8.177 -1.990 1.00 0.00 C ATOM 0 H ALA A 74 20.053 6.102 0.185 1.00 0.00 H new ATOM 0 HA ALA A 74 19.641 6.574 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 74 20.893 8.390 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 74 20.414 8.829 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 74 22.094 8.354 -1.735 1.00 0.00 H new ATOM 1098 N HIS A 75 20.831 5.128 -3.525 1.00 0.00 N ATOM 1099 CA HIS A 75 21.489 4.205 -4.441 1.00 0.00 C ATOM 1100 C HIS A 75 22.486 4.943 -5.330 1.00 0.00 C ATOM 1101 O HIS A 75 23.578 4.444 -5.602 1.00 0.00 O ATOM 1102 CB HIS A 75 20.451 3.481 -5.302 1.00 0.00 C ATOM 1103 CG HIS A 75 19.598 4.402 -6.119 1.00 0.00 C ATOM 1104 ND1 HIS A 75 18.790 5.372 -5.561 1.00 0.00 N ATOM 1105 CD2 HIS A 75 19.431 4.502 -7.459 1.00 0.00 C ATOM 1106 CE1 HIS A 75 18.163 6.026 -6.523 1.00 0.00 C ATOM 1107 NE2 HIS A 75 18.534 5.518 -7.683 1.00 0.00 N ATOM 0 H HIS A 75 19.824 5.212 -3.662 1.00 0.00 H new ATOM 0 HA HIS A 75 22.034 3.469 -3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.965 2.789 -5.969 1.00 0.00 H new ATOM 0 HB3 HIS A 75 19.809 2.883 -4.655 1.00 0.00 H new ATOM 0 HD2 HIS A 75 19.913 3.896 -8.212 1.00 0.00 H new ATOM 0 HE1 HIS A 75 17.465 6.838 -6.383 1.00 0.00 H new ATOM 0 HE2 HIS A 75 18.208 5.829 -8.598 1.00 0.00 H new ATOM 1116 N GLU A 76 22.097 6.133 -5.780 1.00 0.00 N ATOM 1117 CA GLU A 76 22.946 6.951 -6.642 1.00 0.00 C ATOM 1118 C GLU A 76 22.342 8.339 -6.829 1.00 0.00 C ATOM 1119 O GLU A 76 21.128 8.478 -6.987 1.00 0.00 O ATOM 1120 CB GLU A 76 23.130 6.274 -8.002 1.00 0.00 C ATOM 1121 CG GLU A 76 24.000 7.063 -8.971 1.00 0.00 C ATOM 1122 CD GLU A 76 25.435 7.208 -8.497 1.00 0.00 C ATOM 1123 OE1 GLU A 76 25.775 6.645 -7.435 1.00 0.00 O ATOM 1124 OE2 GLU A 76 26.223 7.881 -9.195 1.00 0.00 O ATOM 0 H GLU A 76 21.194 6.554 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 76 23.920 7.056 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.573 5.290 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.151 6.116 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.992 6.569 -9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.569 8.054 -9.114 1.00 0.00 H new ATOM 1131 N THR A 77 23.196 9.361 -6.803 1.00 0.00 N ATOM 1132 CA THR A 77 22.756 10.745 -6.965 1.00 0.00 C ATOM 1133 C THR A 77 21.601 11.067 -6.014 1.00 0.00 C ATOM 1134 O THR A 77 21.614 10.647 -4.856 1.00 0.00 O ATOM 1135 CB THR A 77 22.334 11.044 -8.420 1.00 0.00 C ATOM 1136 OG1 THR A 77 21.232 10.214 -8.800 1.00 0.00 O ATOM 1137 CG2 THR A 77 23.497 10.816 -9.375 1.00 0.00 C ATOM 0 H THR A 77 24.202 9.255 -6.671 1.00 0.00 H new ATOM 0 HA THR A 77 23.607 11.381 -6.719 1.00 0.00 H new ATOM 0 HB THR A 77 22.031 12.090 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 77 20.863 9.776 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.178 11.032 -10.395 1.00 0.00 H new ATOM 0 HG22 THR A 77 24.323 11.474 -9.106 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.824 9.778 -9.309 1.00 0.00 H new ATOM 1145 N ASP A 78 20.606 11.809 -6.500 1.00 0.00 N ATOM 1146 CA ASP A 78 19.456 12.175 -5.679 1.00 0.00 C ATOM 1147 C ASP A 78 18.388 12.888 -6.504 1.00 0.00 C ATOM 1148 O ASP A 78 17.192 12.696 -6.280 1.00 0.00 O ATOM 1149 CB ASP A 78 19.895 13.058 -4.505 1.00 0.00 C ATOM 1150 CG ASP A 78 20.696 14.268 -4.947 1.00 0.00 C ATOM 1151 OD1 ASP A 78 20.143 15.116 -5.676 1.00 0.00 O ATOM 1152 OD2 ASP A 78 21.880 14.366 -4.561 1.00 0.00 O ATOM 0 H ASP A 78 20.574 12.166 -7.455 1.00 0.00 H new ATOM 0 HA ASP A 78 19.021 11.255 -5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.013 13.392 -3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.493 12.465 -3.814 1.00 0.00 H new ATOM 1157 N LYS A 79 18.826 13.710 -7.454 1.00 0.00 N ATOM 1158 CA LYS A 79 17.906 14.453 -8.311 1.00 0.00 C ATOM 1159 C LYS A 79 17.001 15.360 -7.481 1.00 0.00 C ATOM 1160 O LYS A 79 15.788 15.402 -7.690 1.00 0.00 O ATOM 1161 CB LYS A 79 17.062 13.490 -9.149 1.00 0.00 C ATOM 1162 CG LYS A 79 17.886 12.612 -10.076 1.00 0.00 C ATOM 1163 CD LYS A 79 17.015 11.664 -10.891 1.00 0.00 C ATOM 1164 CE LYS A 79 16.401 10.565 -10.032 1.00 0.00 C ATOM 1165 NZ LYS A 79 15.419 11.095 -9.046 1.00 0.00 N ATOM 0 H LYS A 79 19.813 13.879 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 79 18.497 15.078 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.480 12.854 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.351 14.065 -9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.466 13.242 -10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.599 12.034 -9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.220 12.230 -11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.614 11.213 -11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.908 9.837 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.194 10.036 -9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.646 10.410 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.893 11.250 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.031 11.996 -9.392 1.00 0.00 H new ATOM 1179 N SER A 80 17.600 16.084 -6.542 1.00 0.00 N ATOM 1180 CA SER A 80 16.852 16.991 -5.681 1.00 0.00 C ATOM 1181 C SER A 80 16.169 18.081 -6.501 1.00 0.00 C ATOM 1182 O SER A 80 16.825 18.641 -7.405 1.00 0.00 O ATOM 1183 CB SER A 80 17.781 17.625 -4.644 1.00 0.00 C ATOM 1184 OG SER A 80 17.073 18.521 -3.805 1.00 0.00 O ATOM 1185 OXT SER A 80 14.983 18.366 -6.233 1.00 0.00 O ATOM 0 H SER A 80 18.603 16.060 -6.358 1.00 0.00 H new ATOM 0 HA SER A 80 16.084 16.413 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.243 16.844 -4.040 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.587 18.156 -5.150 1.00 0.00 H new ATOM 0 HG SER A 80 17.689 18.912 -3.150 1.00 0.00 H new TER 1191 SER A 80 ATOM 1192 N ALA B 1 3.736 -21.015 3.298 1.00 0.00 N ATOM 1193 CA ALA B 1 2.718 -20.234 2.553 1.00 0.00 C ATOM 1194 C ALA B 1 1.435 -20.089 3.372 1.00 0.00 C ATOM 1195 O ALA B 1 1.492 -19.898 4.588 1.00 0.00 O ATOM 1196 CB ALA B 1 2.429 -20.898 1.214 1.00 0.00 C ATOM 0 H1 ALA B 1 4.649 -20.517 3.264 1.00 0.00 H new ATOM 0 H2 ALA B 1 3.436 -21.121 4.288 1.00 0.00 H new ATOM 0 H3 ALA B 1 3.838 -21.955 2.865 1.00 0.00 H new ATOM 0 HA ALA B 1 3.113 -19.235 2.371 1.00 0.00 H new ATOM 0 HB1 ALA B 1 1.681 -20.318 0.674 1.00 0.00 H new ATOM 0 HB2 ALA B 1 3.345 -20.945 0.626 1.00 0.00 H new ATOM 0 HB3 ALA B 1 2.054 -21.907 1.382 1.00 0.00 H new ATOM 1204 N ARG B 2 0.284 -20.184 2.698 1.00 0.00 N ATOM 1205 CA ARG B 2 -1.024 -20.068 3.348 1.00 0.00 C ATOM 1206 C ARG B 2 -1.326 -18.617 3.734 1.00 0.00 C ATOM 1207 O ARG B 2 -2.475 -18.179 3.666 1.00 0.00 O ATOM 1208 CB ARG B 2 -1.103 -20.991 4.576 1.00 0.00 C ATOM 1209 CG ARG B 2 -2.499 -21.120 5.171 1.00 0.00 C ATOM 1210 CD ARG B 2 -2.853 -19.966 6.102 1.00 0.00 C ATOM 1211 NE ARG B 2 -2.222 -20.093 7.418 1.00 0.00 N ATOM 1212 CZ ARG B 2 -0.954 -19.778 7.679 1.00 0.00 C ATOM 1213 NH1 ARG B 2 -0.188 -19.241 6.740 1.00 0.00 N ATOM 1214 NH2 ARG B 2 -0.457 -19.982 8.891 1.00 0.00 N ATOM 0 H ARG B 2 0.233 -20.343 1.692 1.00 0.00 H new ATOM 0 HA ARG B 2 -1.783 -20.384 2.633 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.747 -21.982 4.295 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -0.426 -20.615 5.343 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.230 -21.167 4.364 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.570 -22.059 5.720 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -2.545 -19.026 5.644 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -3.935 -19.921 6.224 1.00 0.00 H new ATOM 0 HE ARG B 2 -2.792 -20.447 8.186 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -0.568 -19.066 5.810 1.00 0.00 H new ATOM 0 HH12 ARG B 2 0.782 -19.003 6.948 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -1.045 -20.380 9.623 1.00 0.00 H new ATOM 0 HH22 ARG B 2 0.514 -19.741 9.091 1.00 0.00 H new ATOM 1228 N THR B 3 -0.293 -17.875 4.129 1.00 0.00 N ATOM 1229 CA THR B 3 -0.453 -16.475 4.519 1.00 0.00 C ATOM 1230 C THR B 3 0.892 -15.752 4.508 1.00 0.00 C ATOM 1231 O THR B 3 1.912 -16.317 4.903 1.00 0.00 O ATOM 1232 CB THR B 3 -1.078 -16.346 5.923 1.00 0.00 C ATOM 1233 OG1 THR B 3 -2.376 -16.949 5.944 1.00 0.00 O ATOM 1234 CG2 THR B 3 -1.190 -14.886 6.339 1.00 0.00 C ATOM 0 H THR B 3 0.665 -18.220 4.188 1.00 0.00 H new ATOM 0 HA THR B 3 -1.122 -16.017 3.791 1.00 0.00 H new ATOM 0 HB THR B 3 -0.426 -16.861 6.629 1.00 0.00 H new ATOM 0 HG1 THR B 3 -2.664 -17.137 5.026 1.00 0.00 H new ATOM 0 HG21 THR B 3 -1.634 -14.824 7.333 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.198 -14.435 6.356 1.00 0.00 H new ATOM 0 HG23 THR B 3 -1.819 -14.352 5.627 1.00 0.00 H new HETATM 1242 N MLY B 4 0.887 -14.501 4.050 1.00 0.00 N HETATM 1243 CA MLY B 4 2.112 -13.709 3.989 1.00 0.00 C HETATM 1244 CB MLY B 4 2.963 -14.127 2.782 1.00 0.00 C HETATM 1245 CG MLY B 4 2.267 -13.963 1.437 1.00 0.00 C HETATM 1246 CD MLY B 4 1.193 -15.019 1.223 1.00 0.00 C HETATM 1247 CE MLY B 4 0.538 -14.880 -0.142 1.00 0.00 C HETATM 1248 NZ MLY B 4 -0.491 -15.932 -0.374 1.00 0.00 N HETATM 1249 CH1 MLY B 4 -1.682 -15.347 -0.598 1.00 0.00 C HETATM 1250 CH2 MLY B 4 -0.145 -16.661 -1.450 1.00 0.00 C HETATM 1251 C MLY B 4 1.802 -12.211 3.926 1.00 0.00 C HETATM 1252 O MLY B 4 0.823 -11.748 4.514 1.00 0.00 O HETATM 0 HH23 MLY B 4 -0.082 -16.013 -2.324 1.00 0.00 H new HETATM 0 HH22 MLY B 4 0.824 -17.130 -1.276 1.00 0.00 H new HETATM 0 HH21 MLY B 4 -0.895 -17.432 -1.624 1.00 0.00 H new HETATM 0 HH13 MLY B 4 -1.962 -14.748 0.269 1.00 0.00 H new HETATM 0 HH12 MLY B 4 -1.613 -14.705 -1.476 1.00 0.00 H new HETATM 0 HH11 MLY B 4 -2.438 -16.114 -0.768 1.00 0.00 H new HETATM 0 HG3 MLY B 4 1.818 -12.971 1.379 1.00 0.00 H new HETATM 0 HG2 MLY B 4 3.004 -14.027 0.636 1.00 0.00 H new HETATM 0 HE3 MLY B 4 0.076 -13.896 -0.225 1.00 0.00 H new HETATM 0 HE2 MLY B 4 1.301 -14.941 -0.918 1.00 0.00 H new HETATM 0 HD3 MLY B 4 1.634 -16.012 1.317 1.00 0.00 H new HETATM 0 HD2 MLY B 4 0.435 -14.932 2.002 1.00 0.00 H new HETATM 0 HB3 MLY B 4 3.880 -13.538 2.777 1.00 0.00 H new HETATM 0 HB2 MLY B 4 3.255 -15.170 2.902 1.00 0.00 H new HETATM 0 HA MLY B 4 2.677 -13.899 4.901 1.00 0.00 H new ATOM 1270 N GLN B 5 2.645 -11.457 3.223 1.00 0.00 N ATOM 1271 CA GLN B 5 2.465 -10.012 3.100 1.00 0.00 C ATOM 1272 C GLN B 5 1.166 -9.678 2.374 1.00 0.00 C ATOM 1273 O GLN B 5 0.893 -10.214 1.300 1.00 0.00 O ATOM 1274 CB GLN B 5 3.651 -9.397 2.352 1.00 0.00 C ATOM 1275 CG GLN B 5 5.008 -9.836 2.885 1.00 0.00 C ATOM 1276 CD GLN B 5 5.265 -9.413 4.324 1.00 0.00 C ATOM 1277 OE1 GLN B 5 4.363 -8.619 4.893 1.00 0.00 O flip ATOM 1278 NE2 GLN B 5 6.275 -9.793 4.916 1.00 0.00 N flip ATOM 0 H GLN B 5 3.459 -11.823 2.730 1.00 0.00 H new ATOM 0 HA GLN B 5 2.412 -9.592 4.104 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.582 -9.664 1.298 1.00 0.00 H new ATOM 0 HB3 GLN B 5 3.582 -8.311 2.411 1.00 0.00 H new ATOM 0 HG2 GLN B 5 5.082 -10.921 2.816 1.00 0.00 H new ATOM 0 HG3 GLN B 5 5.790 -9.422 2.249 1.00 0.00 H new ATOM 0 HE21 GLN B 5 6.944 -10.402 4.445 1.00 0.00 H new ATOM 0 HE22 GLN B 5 6.443 -9.499 5.878 1.00 0.00 H new ATOM 1287 N THR B 6 0.372 -8.784 2.966 1.00 0.00 N ATOM 1288 CA THR B 6 -0.904 -8.371 2.381 1.00 0.00 C ATOM 1289 C THR B 6 -1.328 -6.991 2.876 1.00 0.00 C ATOM 1290 O THR B 6 -1.169 -6.668 4.051 1.00 0.00 O ATOM 1291 CB THR B 6 -2.034 -9.367 2.718 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.096 -9.578 4.133 1.00 0.00 O ATOM 1293 CG2 THR B 6 -1.833 -10.697 2.011 1.00 0.00 C ATOM 0 H THR B 6 0.592 -8.331 3.853 1.00 0.00 H new ATOM 0 HA THR B 6 -0.746 -8.344 1.303 1.00 0.00 H new ATOM 0 HB THR B 6 -2.973 -8.936 2.370 1.00 0.00 H new ATOM 0 HG1 THR B 6 -2.817 -10.210 4.338 1.00 0.00 H new ATOM 0 HG21 THR B 6 -2.647 -11.374 2.271 1.00 0.00 H new ATOM 0 HG22 THR B 6 -1.824 -10.538 0.933 1.00 0.00 H new ATOM 0 HG23 THR B 6 -0.884 -11.134 2.321 1.00 0.00 H new ATOM 1301 N ALA B 7 -1.888 -6.190 1.974 1.00 0.00 N ATOM 1302 CA ALA B 7 -2.361 -4.854 2.317 1.00 0.00 C ATOM 1303 C ALA B 7 -3.740 -4.612 1.709 1.00 0.00 C ATOM 1304 O ALA B 7 -3.913 -4.685 0.494 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.376 -3.791 1.843 1.00 0.00 C ATOM 0 H ALA B 7 -2.025 -6.445 0.996 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.438 -4.784 3.402 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.751 -2.803 2.110 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.409 -3.953 2.319 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.264 -3.856 0.761 1.00 0.00 H new ATOM 1311 N ARG B 8 -4.723 -4.338 2.563 1.00 0.00 N ATOM 1312 CA ARG B 8 -6.088 -4.102 2.106 1.00 0.00 C ATOM 1313 C ARG B 8 -6.262 -2.680 1.578 1.00 0.00 C ATOM 1314 O ARG B 8 -5.944 -1.710 2.266 1.00 0.00 O ATOM 1315 CB ARG B 8 -7.080 -4.354 3.245 1.00 0.00 C ATOM 1316 CG ARG B 8 -7.017 -5.767 3.804 1.00 0.00 C ATOM 1317 CD ARG B 8 -7.979 -5.949 4.968 1.00 0.00 C ATOM 1318 NE ARG B 8 -7.690 -5.029 6.066 1.00 0.00 N ATOM 1319 CZ ARG B 8 -8.385 -4.991 7.200 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -9.403 -5.821 7.390 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -8.060 -4.122 8.147 1.00 0.00 N ATOM 0 H ARG B 8 -4.599 -4.274 3.573 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.288 -4.796 1.290 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.885 -3.645 4.049 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -8.090 -4.159 2.886 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.257 -6.482 3.017 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -6.001 -5.984 4.133 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.001 -5.791 4.622 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.920 -6.975 5.330 1.00 0.00 H new ATOM 0 HE ARG B 8 -6.911 -4.379 5.957 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.656 -6.492 6.665 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -9.932 -5.788 8.261 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.278 -3.483 8.006 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.592 -4.092 9.017 1.00 0.00 H new HETATM 1335 N MLY B 9 -6.783 -2.567 0.359 1.00 0.00 N HETATM 1336 CA MLY B 9 -7.016 -1.264 -0.254 1.00 0.00 C HETATM 1337 CB MLY B 9 -6.867 -1.349 -1.776 1.00 0.00 C HETATM 1338 CG MLY B 9 -7.925 -2.208 -2.451 1.00 0.00 C HETATM 1339 CD MLY B 9 -7.715 -2.275 -3.956 1.00 0.00 C HETATM 1340 CE MLY B 9 -7.736 -0.885 -4.592 1.00 0.00 C HETATM 1341 NZ MLY B 9 -7.542 -0.913 -6.077 1.00 0.00 N HETATM 1342 CH1 MLY B 9 -6.438 -1.624 -6.387 1.00 0.00 C HETATM 1343 CH2 MLY B 9 -8.614 -1.479 -6.660 1.00 0.00 C HETATM 1344 C MLY B 9 -8.406 -0.752 0.114 1.00 0.00 C HETATM 1345 O MLY B 9 -9.365 -1.521 0.152 1.00 0.00 O HETATM 0 HH23 MLY B 9 -8.734 -2.498 -6.291 1.00 0.00 H new HETATM 0 HH22 MLY B 9 -9.506 -0.900 -6.422 1.00 0.00 H new HETATM 0 HH21 MLY B 9 -8.472 -1.499 -7.741 1.00 0.00 H new HETATM 0 HH13 MLY B 9 -5.566 -1.164 -5.921 1.00 0.00 H new HETATM 0 HH12 MLY B 9 -6.548 -2.645 -6.022 1.00 0.00 H new HETATM 0 HH11 MLY B 9 -6.306 -1.638 -7.469 1.00 0.00 H new HETATM 0 HG3 MLY B 9 -7.898 -3.215 -2.034 1.00 0.00 H new HETATM 0 HG2 MLY B 9 -8.914 -1.802 -2.239 1.00 0.00 H new HETATM 0 HE3 MLY B 9 -8.687 -0.403 -4.365 1.00 0.00 H new HETATM 0 HE2 MLY B 9 -6.954 -0.274 -4.141 1.00 0.00 H new HETATM 0 HD3 MLY B 9 -6.762 -2.758 -4.169 1.00 0.00 H new HETATM 0 HD2 MLY B 9 -8.493 -2.892 -4.405 1.00 0.00 H new HETATM 0 HB3 MLY B 9 -6.910 -0.343 -2.192 1.00 0.00 H new HETATM 0 HB2 MLY B 9 -5.882 -1.750 -2.013 1.00 0.00 H new HETATM 0 HA MLY B 9 -6.271 -0.565 0.125 1.00 0.00 H new HETATM 0 H MLY B 9 -6.557 -3.372 -0.225 1.00 0.00 H new ATOM 1363 N SER B 10 -8.511 0.545 0.391 1.00 0.00 N ATOM 1364 CA SER B 10 -9.789 1.140 0.761 1.00 0.00 C ATOM 1365 C SER B 10 -10.840 0.880 -0.315 1.00 0.00 C ATOM 1366 O SER B 10 -10.691 1.312 -1.457 1.00 0.00 O ATOM 1367 CB SER B 10 -9.633 2.646 0.985 1.00 0.00 C ATOM 1368 OG SER B 10 -10.870 3.239 1.344 1.00 0.00 O ATOM 0 H SER B 10 -7.730 1.200 0.366 1.00 0.00 H new ATOM 0 HA SER B 10 -10.121 0.676 1.690 1.00 0.00 H new ATOM 0 HB2 SER B 10 -8.898 2.826 1.770 1.00 0.00 H new ATOM 0 HB3 SER B 10 -9.251 3.114 0.078 1.00 0.00 H new ATOM 0 HG SER B 10 -10.744 4.201 1.483 1.00 0.00 H new ATOM 1374 N THR B 11 -11.902 0.172 0.067 1.00 0.00 N ATOM 1375 CA THR B 11 -12.989 -0.156 -0.854 1.00 0.00 C ATOM 1376 C THR B 11 -14.290 -0.395 -0.094 1.00 0.00 C ATOM 1377 O THR B 11 -15.356 0.058 -0.510 1.00 0.00 O ATOM 1378 CB THR B 11 -12.675 -1.416 -1.688 1.00 0.00 C ATOM 1379 OG1 THR B 11 -12.339 -2.506 -0.821 1.00 0.00 O ATOM 1380 CG2 THR B 11 -11.535 -1.167 -2.663 1.00 0.00 C ATOM 0 H THR B 11 -12.033 -0.187 1.013 1.00 0.00 H new ATOM 0 HA THR B 11 -13.096 0.697 -1.524 1.00 0.00 H new ATOM 0 HB THR B 11 -13.566 -1.666 -2.264 1.00 0.00 H new ATOM 0 HG1 THR B 11 -12.621 -3.350 -1.232 1.00 0.00 H new ATOM 0 HG21 THR B 11 -11.340 -2.075 -3.234 1.00 0.00 H new ATOM 0 HG22 THR B 11 -11.808 -0.361 -3.344 1.00 0.00 H new ATOM 0 HG23 THR B 11 -10.638 -0.886 -2.110 1.00 0.00 H new ATOM 1388 N GLY B 12 -14.189 -1.114 1.022 1.00 0.00 N ATOM 1389 CA GLY B 12 -15.361 -1.409 1.827 1.00 0.00 C ATOM 1390 C GLY B 12 -16.112 -0.160 2.244 1.00 0.00 C ATOM 1391 O GLY B 12 -15.504 0.830 2.654 1.00 0.00 O ATOM 0 H GLY B 12 -13.315 -1.497 1.382 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -16.030 -2.059 1.263 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -15.057 -1.959 2.717 1.00 0.00 H new ATOM 1395 N GLY B 13 -17.436 -0.207 2.135 1.00 0.00 N ATOM 1396 CA GLY B 13 -18.258 0.931 2.505 1.00 0.00 C ATOM 1397 C GLY B 13 -18.239 1.207 3.997 1.00 0.00 C ATOM 1398 O GLY B 13 -17.173 1.336 4.599 1.00 0.00 O ATOM 0 H GLY B 13 -17.956 -1.016 1.796 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -17.909 1.815 1.972 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -19.285 0.751 2.186 1.00 0.00 H new ATOM 1402 N LYS B 14 -19.423 1.299 4.593 1.00 0.00 N ATOM 1403 CA LYS B 14 -19.543 1.563 6.022 1.00 0.00 C ATOM 1404 C LYS B 14 -20.947 1.233 6.519 1.00 0.00 C ATOM 1405 O LYS B 14 -21.118 0.683 7.608 1.00 0.00 O ATOM 1406 CB LYS B 14 -19.218 3.028 6.323 1.00 0.00 C ATOM 1407 CG LYS B 14 -19.260 3.367 7.805 1.00 0.00 C ATOM 1408 CD LYS B 14 -19.015 4.849 8.052 1.00 0.00 C ATOM 1409 CE LYS B 14 -17.629 5.278 7.591 1.00 0.00 C ATOM 1410 NZ LYS B 14 -17.393 6.728 7.831 1.00 0.00 N ATOM 0 H LYS B 14 -20.314 1.194 4.108 1.00 0.00 H new ATOM 0 HA LYS B 14 -18.830 0.925 6.544 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -18.227 3.259 5.934 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -19.926 3.665 5.792 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -20.230 3.085 8.215 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -18.508 2.781 8.334 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -19.770 5.434 7.527 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -19.127 5.064 9.115 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -16.874 4.694 8.117 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -17.516 5.062 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -16.439 6.983 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -18.099 7.286 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -17.476 6.930 8.848 1.00 0.00 H new ATOM 1424 N ALA B 15 -21.948 1.572 5.712 1.00 0.00 N ATOM 1425 CA ALA B 15 -23.339 1.314 6.067 1.00 0.00 C ATOM 1426 C ALA B 15 -24.256 1.520 4.862 1.00 0.00 C ATOM 1427 O ALA B 15 -24.110 2.493 4.122 1.00 0.00 O ATOM 1428 CB ALA B 15 -23.767 2.214 7.217 1.00 0.00 C ATOM 0 H ALA B 15 -21.821 2.026 4.808 1.00 0.00 H new ATOM 0 HA ALA B 15 -23.422 0.275 6.385 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -24.807 2.010 7.471 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -23.137 2.020 8.085 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -23.664 3.258 6.920 1.00 0.00 H new ATOM 1434 N PRO B 16 -25.216 0.600 4.645 1.00 0.00 N ATOM 1435 CA PRO B 16 -26.154 0.688 3.519 1.00 0.00 C ATOM 1436 C PRO B 16 -27.055 1.916 3.602 1.00 0.00 C ATOM 1437 O PRO B 16 -27.302 2.584 2.598 1.00 0.00 O ATOM 1438 CB PRO B 16 -26.987 -0.593 3.637 1.00 0.00 C ATOM 1439 CG PRO B 16 -26.842 -1.018 5.057 1.00 0.00 C ATOM 1440 CD PRO B 16 -25.463 -0.594 5.474 1.00 0.00 C ATOM 0 HA PRO B 16 -25.630 0.784 2.568 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -28.031 -0.409 3.385 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -26.625 -1.363 2.956 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -27.601 -0.550 5.684 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -26.966 -2.096 5.157 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -25.417 -0.363 6.538 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -24.727 -1.375 5.285 1.00 0.00 H new ATOM 1448 N GLY B 17 -27.548 2.203 4.803 1.00 0.00 N ATOM 1449 CA GLY B 17 -28.420 3.348 4.991 1.00 0.00 C ATOM 1450 C GLY B 17 -29.727 3.211 4.236 1.00 0.00 C ATOM 1451 O GLY B 17 -30.177 4.153 3.583 1.00 0.00 O ATOM 0 H GLY B 17 -27.359 1.664 5.648 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -28.629 3.471 6.054 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -27.906 4.251 4.661 1.00 0.00 H new ATOM 1455 N GLY B 18 -30.337 2.033 4.324 1.00 0.00 N ATOM 1456 CA GLY B 18 -31.594 1.792 3.640 1.00 0.00 C ATOM 1457 C GLY B 18 -32.117 0.388 3.872 1.00 0.00 C ATOM 1458 O GLY B 18 -33.192 0.250 4.492 1.00 0.00 O ATOM 1459 OXT GLY B 18 -31.453 -0.573 3.430 1.00 0.00 O ATOM 0 H GLY B 18 -29.982 1.240 4.858 1.00 0.00 H new ATOM 0 HA2 GLY B 18 -32.335 2.514 3.982 1.00 0.00 H new ATOM 0 HA3 GLY B 18 -31.460 1.955 2.571 1.00 0.00 H new TER 1463 GLY B 18