USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 28 THR OG1 : rot 180:sc= -0.735 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ 166:sc= -0.161 (180deg=-0.963) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= -0.0568 (180deg=-0.36) USER MOD Single : A 9 SER OG : rot 180:sc= 0.186 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.178) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -8.47! C(o=-8.5!,f=-17!) USER MOD Single : A 34 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.893 K(o=-0.89,f=-4.1!) USER MOD Single : A 48 ASN : amide:sc= -8.68! C(o=-8.7!,f=-21!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 70:sc= 0.0387 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0889 USER MOD Single : A 61 HIS : no HE2:sc= -16.5! C(o=-17!,f=-23!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 66 MET CE :methyl -160:sc= -2.14! (180deg=-2.4!) USER MOD Single : A 67 SER OG : rot 150:sc= -2.18! USER MOD Single : A 70 GLN : amide:sc= -2.18! C(o=-2.2!,f=-7.7!) USER MOD Single : A 71 SER OG : rot 130:sc= -5.04! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.286 USER MOD Single : A 74 THR OG1 : rot 113:sc= 0.466! USER MOD Single : A 85 TYR OH : rot 9:sc= -0.93! USER MOD Single : A 86 THR OG1 : rot -12:sc= -1.15 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -178:sc= -14.5! (180deg=-15.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 76:sc= 0.153 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.638 17.490 1.684 1.00 0.00 N ATOM 2 CA GLU A 1 3.062 16.467 0.687 1.00 0.00 C ATOM 3 C GLU A 1 2.691 15.073 1.197 1.00 0.00 C ATOM 4 O GLU A 1 3.539 14.303 1.602 1.00 0.00 O ATOM 5 CB GLU A 1 4.576 16.550 0.481 1.00 0.00 C ATOM 6 CG GLU A 1 5.251 16.952 1.794 1.00 0.00 C ATOM 7 CD GLU A 1 6.762 16.740 1.680 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.159 15.686 1.212 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.496 17.636 2.063 1.00 0.00 O ATOM 0 H1 GLU A 1 3.091 18.400 1.462 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.604 17.600 1.650 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.923 17.185 2.637 1.00 0.00 H new ATOM 0 HA GLU A 1 2.557 16.653 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.960 15.588 0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.808 17.278 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.036 17.996 2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.851 16.359 2.617 1.00 0.00 H new ATOM 18 N THR A 2 1.428 14.742 1.179 1.00 0.00 N ATOM 19 CA THR A 2 1.004 13.398 1.663 1.00 0.00 C ATOM 20 C THR A 2 0.334 12.632 0.521 1.00 0.00 C ATOM 21 O THR A 2 -0.495 13.161 -0.192 1.00 0.00 O ATOM 22 CB THR A 2 0.013 13.561 2.818 1.00 0.00 C ATOM 23 OG1 THR A 2 0.333 14.735 3.552 1.00 0.00 O ATOM 24 CG2 THR A 2 0.094 12.342 3.737 1.00 0.00 C ATOM 0 H THR A 2 0.673 15.344 0.850 1.00 0.00 H new ATOM 0 HA THR A 2 1.877 12.845 2.008 1.00 0.00 H new ATOM 0 HB THR A 2 -0.999 13.646 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.302 14.842 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.612 12.459 4.559 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.153 11.443 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.104 12.254 4.136 1.00 0.00 H new ATOM 32 N TYR A 3 0.687 11.390 0.341 1.00 0.00 N ATOM 33 CA TYR A 3 0.070 10.593 -0.755 1.00 0.00 C ATOM 34 C TYR A 3 -1.128 9.812 -0.208 1.00 0.00 C ATOM 35 O TYR A 3 -1.071 9.241 0.863 1.00 0.00 O ATOM 36 CB TYR A 3 1.105 9.617 -1.316 1.00 0.00 C ATOM 37 CG TYR A 3 2.173 10.388 -2.054 1.00 0.00 C ATOM 38 CD1 TYR A 3 1.992 10.722 -3.402 1.00 0.00 C ATOM 39 CD2 TYR A 3 3.344 10.771 -1.390 1.00 0.00 C ATOM 40 CE1 TYR A 3 2.983 11.439 -4.085 1.00 0.00 C ATOM 41 CE2 TYR A 3 4.335 11.487 -2.072 1.00 0.00 C ATOM 42 CZ TYR A 3 4.154 11.822 -3.419 1.00 0.00 C ATOM 43 OH TYR A 3 5.130 12.529 -4.092 1.00 0.00 O ATOM 0 H TYR A 3 1.376 10.893 0.905 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.267 11.262 -1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.552 9.039 -0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.624 8.906 -1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.089 10.427 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.483 10.514 -0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.844 11.696 -5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.239 11.781 -1.559 1.00 0.00 H new ATOM 0 HH TYR A 3 5.876 12.716 -3.485 1.00 0.00 H new ATOM 53 N THR A 4 -2.212 9.784 -0.934 1.00 0.00 N ATOM 54 CA THR A 4 -3.412 9.042 -0.453 1.00 0.00 C ATOM 55 C THR A 4 -3.874 8.061 -1.532 1.00 0.00 C ATOM 56 O THR A 4 -4.489 8.441 -2.509 1.00 0.00 O ATOM 57 CB THR A 4 -4.536 10.036 -0.153 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.975 11.308 0.138 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.345 9.546 1.049 1.00 0.00 C ATOM 0 H THR A 4 -2.319 10.242 -1.839 1.00 0.00 H new ATOM 0 HA THR A 4 -3.160 8.491 0.453 1.00 0.00 H new ATOM 0 HB THR A 4 -5.191 10.117 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.694 11.947 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.145 10.255 1.262 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.775 8.570 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.692 9.464 1.918 1.00 0.00 H new ATOM 67 N VAL A 5 -3.580 6.802 -1.366 1.00 0.00 N ATOM 68 CA VAL A 5 -3.997 5.798 -2.378 1.00 0.00 C ATOM 69 C VAL A 5 -5.364 5.221 -1.997 1.00 0.00 C ATOM 70 O VAL A 5 -5.561 4.023 -1.996 1.00 0.00 O ATOM 71 CB VAL A 5 -2.956 4.679 -2.425 1.00 0.00 C ATOM 72 CG1 VAL A 5 -1.555 5.289 -2.397 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.129 3.758 -1.213 1.00 0.00 C ATOM 0 H VAL A 5 -3.067 6.426 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.072 6.269 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.090 4.102 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.811 4.493 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.426 5.943 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.428 5.866 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.385 2.962 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.998 4.334 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.128 3.322 -1.227 1.00 0.00 H new ATOM 83 N LYS A 6 -6.307 6.063 -1.672 1.00 0.00 N ATOM 84 CA LYS A 6 -7.657 5.559 -1.291 1.00 0.00 C ATOM 85 C LYS A 6 -8.121 4.521 -2.316 1.00 0.00 C ATOM 86 O LYS A 6 -8.709 4.853 -3.327 1.00 0.00 O ATOM 87 CB LYS A 6 -8.647 6.726 -1.261 1.00 0.00 C ATOM 88 CG LYS A 6 -10.041 6.205 -0.907 1.00 0.00 C ATOM 89 CD LYS A 6 -11.036 6.634 -1.987 1.00 0.00 C ATOM 90 CE LYS A 6 -12.386 6.951 -1.341 1.00 0.00 C ATOM 91 NZ LYS A 6 -12.282 8.224 -0.573 1.00 0.00 N ATOM 0 H LYS A 6 -6.201 7.077 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.609 5.099 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.328 7.468 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.669 7.223 -2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.024 5.118 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.351 6.594 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.660 7.510 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.152 5.841 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.156 7.038 -2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.685 6.138 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.217 8.678 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.945 8.022 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.612 8.862 -1.048 1.00 0.00 H new ATOM 105 N LEU A 7 -7.858 3.267 -2.067 1.00 0.00 N ATOM 106 CA LEU A 7 -8.276 2.211 -3.026 1.00 0.00 C ATOM 107 C LEU A 7 -9.774 2.334 -3.306 1.00 0.00 C ATOM 108 O LEU A 7 -10.478 3.084 -2.660 1.00 0.00 O ATOM 109 CB LEU A 7 -7.978 0.832 -2.433 1.00 0.00 C ATOM 110 CG LEU A 7 -8.092 0.875 -0.908 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.762 -0.407 -0.410 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.693 0.985 -0.298 1.00 0.00 C ATOM 0 H LEU A 7 -7.370 2.930 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.723 2.332 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.675 0.097 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.976 0.513 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.690 1.737 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.843 -0.377 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.757 -0.490 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.163 -1.269 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.771 1.016 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.098 0.121 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.212 1.896 -0.653 1.00 0.00 H new ATOM 124 N GLY A 8 -10.266 1.604 -4.270 1.00 0.00 N ATOM 125 CA GLY A 8 -11.719 1.679 -4.595 1.00 0.00 C ATOM 126 C GLY A 8 -12.010 2.990 -5.328 1.00 0.00 C ATOM 127 O GLY A 8 -11.743 4.065 -4.828 1.00 0.00 O ATOM 0 H GLY A 8 -9.725 0.959 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.008 0.831 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.311 1.622 -3.681 1.00 0.00 H new ATOM 131 N SER A 9 -12.553 2.911 -6.511 1.00 0.00 N ATOM 132 CA SER A 9 -12.857 4.152 -7.277 1.00 0.00 C ATOM 133 C SER A 9 -13.991 4.915 -6.587 1.00 0.00 C ATOM 134 O SER A 9 -13.787 5.970 -6.019 1.00 0.00 O ATOM 135 CB SER A 9 -13.283 3.780 -8.697 1.00 0.00 C ATOM 136 OG SER A 9 -14.236 2.727 -8.639 1.00 0.00 O ATOM 0 H SER A 9 -12.800 2.040 -6.981 1.00 0.00 H new ATOM 0 HA SER A 9 -11.968 4.782 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.712 4.647 -9.200 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.416 3.470 -9.280 1.00 0.00 H new ATOM 0 HG SER A 9 -14.513 2.486 -9.548 1.00 0.00 H new ATOM 142 N ASP A 10 -15.183 4.390 -6.634 1.00 0.00 N ATOM 143 CA ASP A 10 -16.331 5.084 -5.984 1.00 0.00 C ATOM 144 C ASP A 10 -17.604 4.262 -6.192 1.00 0.00 C ATOM 145 O ASP A 10 -18.242 3.838 -5.249 1.00 0.00 O ATOM 146 CB ASP A 10 -16.511 6.468 -6.611 1.00 0.00 C ATOM 147 CG ASP A 10 -16.864 7.482 -5.522 1.00 0.00 C ATOM 148 OD1 ASP A 10 -15.972 7.858 -4.779 1.00 0.00 O ATOM 149 OD2 ASP A 10 -18.020 7.865 -5.449 1.00 0.00 O ATOM 0 H ASP A 10 -15.413 3.509 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.136 5.191 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -15.596 6.770 -7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.299 6.438 -7.363 1.00 0.00 H new ATOM 154 N LYS A 11 -17.978 4.033 -7.421 1.00 0.00 N ATOM 155 CA LYS A 11 -19.209 3.240 -7.689 1.00 0.00 C ATOM 156 C LYS A 11 -18.967 2.306 -8.877 1.00 0.00 C ATOM 157 O LYS A 11 -19.817 2.138 -9.729 1.00 0.00 O ATOM 158 CB LYS A 11 -20.364 4.189 -8.016 1.00 0.00 C ATOM 159 CG LYS A 11 -21.693 3.502 -7.701 1.00 0.00 C ATOM 160 CD LYS A 11 -22.750 4.560 -7.382 1.00 0.00 C ATOM 161 CE LYS A 11 -22.942 5.471 -8.595 1.00 0.00 C ATOM 162 NZ LYS A 11 -22.506 6.854 -8.251 1.00 0.00 N ATOM 0 H LYS A 11 -17.484 4.361 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.460 2.650 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -20.270 5.107 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.329 4.472 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -22.013 2.898 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.573 2.825 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -23.693 4.080 -7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -22.442 5.148 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -22.365 5.096 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -23.989 5.473 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.636 7.474 -9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -23.075 7.210 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.502 6.844 -7.980 1.00 0.00 H new ATOM 176 N GLY A 12 -17.814 1.698 -8.943 1.00 0.00 N ATOM 177 CA GLY A 12 -17.524 0.778 -10.080 1.00 0.00 C ATOM 178 C GLY A 12 -16.770 -0.452 -9.571 1.00 0.00 C ATOM 179 O GLY A 12 -17.360 -1.395 -9.083 1.00 0.00 O ATOM 0 H GLY A 12 -17.062 1.798 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.454 0.473 -10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.930 1.294 -10.835 1.00 0.00 H new ATOM 183 N LEU A 13 -15.470 -0.452 -9.685 1.00 0.00 N ATOM 184 CA LEU A 13 -14.683 -1.625 -9.212 1.00 0.00 C ATOM 185 C LEU A 13 -13.762 -1.200 -8.068 1.00 0.00 C ATOM 186 O LEU A 13 -13.605 -0.029 -7.784 1.00 0.00 O ATOM 187 CB LEU A 13 -13.835 -2.166 -10.365 1.00 0.00 C ATOM 188 CG LEU A 13 -14.661 -3.154 -11.189 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.267 -3.038 -12.663 1.00 0.00 C ATOM 190 CD2 LEU A 13 -14.389 -4.578 -10.699 1.00 0.00 C ATOM 0 H LEU A 13 -14.920 0.308 -10.085 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.366 -2.399 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.495 -1.345 -10.996 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.944 -2.658 -9.975 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.721 -2.927 -11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.854 -3.741 -13.253 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -14.458 -2.023 -13.012 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.207 -3.267 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.977 -5.283 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.329 -4.806 -10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.666 -4.660 -9.648 1.00 0.00 H new ATOM 202 N LEU A 14 -13.145 -2.145 -7.416 1.00 0.00 N ATOM 203 CA LEU A 14 -12.226 -1.801 -6.298 1.00 0.00 C ATOM 204 C LEU A 14 -10.783 -1.855 -6.805 1.00 0.00 C ATOM 205 O LEU A 14 -10.317 -2.877 -7.268 1.00 0.00 O ATOM 206 CB LEU A 14 -12.408 -2.806 -5.158 1.00 0.00 C ATOM 207 CG LEU A 14 -13.741 -2.549 -4.456 1.00 0.00 C ATOM 208 CD1 LEU A 14 -14.131 -3.782 -3.638 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.599 -1.344 -3.523 1.00 0.00 C ATOM 0 H LEU A 14 -13.238 -3.142 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.450 -0.799 -5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.381 -3.823 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.587 -2.716 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.512 -2.346 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.082 -3.600 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.229 -4.642 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.361 -3.983 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.549 -1.159 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.829 -1.549 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.318 -0.465 -4.104 1.00 0.00 H new ATOM 221 N VAL A 15 -10.073 -0.763 -6.734 1.00 0.00 N ATOM 222 CA VAL A 15 -8.666 -0.762 -7.224 1.00 0.00 C ATOM 223 C VAL A 15 -7.905 0.411 -6.605 1.00 0.00 C ATOM 224 O VAL A 15 -8.456 1.470 -6.377 1.00 0.00 O ATOM 225 CB VAL A 15 -8.662 -0.619 -8.747 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.896 -1.985 -9.392 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.779 0.339 -9.169 1.00 0.00 C ATOM 0 H VAL A 15 -10.405 0.126 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.183 -1.697 -6.939 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.699 -0.226 -9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.893 -1.880 -10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.103 -2.670 -9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.859 -2.380 -9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.779 0.443 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.741 -0.057 -8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.614 1.314 -8.711 1.00 0.00 H new ATOM 237 N PHE A 16 -6.640 0.235 -6.337 1.00 0.00 N ATOM 238 CA PHE A 16 -5.844 1.345 -5.742 1.00 0.00 C ATOM 239 C PHE A 16 -5.933 2.569 -6.656 1.00 0.00 C ATOM 240 O PHE A 16 -6.158 2.450 -7.844 1.00 0.00 O ATOM 241 CB PHE A 16 -4.383 0.912 -5.612 1.00 0.00 C ATOM 242 CG PHE A 16 -4.165 0.260 -4.267 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.819 -0.939 -3.956 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.308 0.852 -3.333 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.615 -1.545 -2.711 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.104 0.247 -2.087 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.757 -0.952 -1.777 1.00 0.00 C ATOM 0 H PHE A 16 -6.124 -0.629 -6.504 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.237 1.592 -4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.127 0.216 -6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.726 1.775 -5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.481 -1.396 -4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.804 1.776 -3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.119 -2.469 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.443 0.705 -1.366 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.599 -1.420 -0.817 1.00 0.00 H new ATOM 257 N GLU A 17 -5.760 3.744 -6.117 1.00 0.00 N ATOM 258 CA GLU A 17 -5.837 4.966 -6.965 1.00 0.00 C ATOM 259 C GLU A 17 -4.837 6.010 -6.449 1.00 0.00 C ATOM 260 O GLU A 17 -5.034 6.571 -5.389 1.00 0.00 O ATOM 261 CB GLU A 17 -7.254 5.542 -6.897 1.00 0.00 C ATOM 262 CG GLU A 17 -8.111 4.919 -8.001 1.00 0.00 C ATOM 263 CD GLU A 17 -9.528 5.492 -7.935 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.785 6.287 -7.045 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.333 5.127 -8.776 1.00 0.00 O ATOM 0 H GLU A 17 -5.569 3.911 -5.129 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.596 4.710 -7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.695 5.338 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.224 6.625 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.670 5.123 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.140 3.836 -7.885 1.00 0.00 H new ATOM 272 N PRO A 18 -3.791 6.241 -7.207 1.00 0.00 N ATOM 273 CA PRO A 18 -3.543 5.566 -8.495 1.00 0.00 C ATOM 274 C PRO A 18 -2.980 4.160 -8.264 1.00 0.00 C ATOM 275 O PRO A 18 -2.699 3.770 -7.148 1.00 0.00 O ATOM 276 CB PRO A 18 -2.501 6.461 -9.169 1.00 0.00 C ATOM 277 CG PRO A 18 -1.802 7.251 -8.043 1.00 0.00 C ATOM 278 CD PRO A 18 -2.747 7.215 -6.832 1.00 0.00 C ATOM 0 HA PRO A 18 -4.445 5.438 -9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.781 5.863 -9.728 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.974 7.138 -9.881 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.839 6.805 -7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.608 8.278 -8.353 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.222 6.906 -5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.174 8.198 -6.632 1.00 0.00 H new ATOM 286 N ALA A 19 -2.806 3.397 -9.310 1.00 0.00 N ATOM 287 CA ALA A 19 -2.255 2.023 -9.147 1.00 0.00 C ATOM 288 C ALA A 19 -0.783 2.120 -8.744 1.00 0.00 C ATOM 289 O ALA A 19 -0.392 1.697 -7.674 1.00 0.00 O ATOM 290 CB ALA A 19 -2.373 1.264 -10.469 1.00 0.00 C ATOM 0 H ALA A 19 -3.022 3.667 -10.270 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.814 1.492 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.969 0.259 -10.349 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.421 1.202 -10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.812 1.790 -11.242 1.00 0.00 H new ATOM 296 N LYS A 20 0.034 2.686 -9.590 1.00 0.00 N ATOM 297 CA LYS A 20 1.478 2.825 -9.255 1.00 0.00 C ATOM 298 C LYS A 20 1.689 4.153 -8.527 1.00 0.00 C ATOM 299 O LYS A 20 0.928 5.086 -8.694 1.00 0.00 O ATOM 300 CB LYS A 20 2.307 2.809 -10.541 1.00 0.00 C ATOM 301 CG LYS A 20 2.216 1.428 -11.194 1.00 0.00 C ATOM 302 CD LYS A 20 1.911 1.589 -12.684 1.00 0.00 C ATOM 303 CE LYS A 20 2.175 0.267 -13.408 1.00 0.00 C ATOM 304 NZ LYS A 20 1.263 -0.784 -12.873 1.00 0.00 N ATOM 0 H LYS A 20 -0.238 3.058 -10.500 1.00 0.00 H new ATOM 0 HA LYS A 20 1.792 1.998 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.944 3.572 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.347 3.049 -10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.153 0.888 -11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.436 0.837 -10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.873 1.890 -12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.531 2.378 -13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.017 0.389 -14.480 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.214 -0.034 -13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.307 -1.625 -13.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.556 -1.040 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.288 -0.421 -12.854 1.00 0.00 H new ATOM 318 N LEU A 21 2.705 4.253 -7.715 1.00 0.00 N ATOM 319 CA LEU A 21 2.935 5.530 -6.982 1.00 0.00 C ATOM 320 C LEU A 21 4.433 5.762 -6.782 1.00 0.00 C ATOM 321 O LEU A 21 5.168 4.869 -6.410 1.00 0.00 O ATOM 322 CB LEU A 21 2.251 5.457 -5.616 1.00 0.00 C ATOM 323 CG LEU A 21 1.118 6.482 -5.557 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.281 6.242 -4.299 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.712 7.892 -5.515 1.00 0.00 C ATOM 0 H LEU A 21 3.381 3.512 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 21 2.521 6.354 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.858 4.454 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.974 5.653 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 21 0.485 6.380 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.527 6.972 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.139 5.237 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.912 6.346 -3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.906 8.625 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.343 7.995 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.310 8.062 -6.410 1.00 0.00 H new ATOM 337 N THR A 22 4.886 6.964 -7.010 1.00 0.00 N ATOM 338 CA THR A 22 6.330 7.268 -6.817 1.00 0.00 C ATOM 339 C THR A 22 6.481 8.155 -5.581 1.00 0.00 C ATOM 340 O THR A 22 6.287 9.353 -5.636 1.00 0.00 O ATOM 341 CB THR A 22 6.876 7.997 -8.048 1.00 0.00 C ATOM 342 OG1 THR A 22 6.561 7.251 -9.215 1.00 0.00 O ATOM 343 CG2 THR A 22 8.393 8.140 -7.926 1.00 0.00 C ATOM 0 H THR A 22 4.316 7.750 -7.322 1.00 0.00 H new ATOM 0 HA THR A 22 6.889 6.342 -6.681 1.00 0.00 H new ATOM 0 HB THR A 22 6.424 8.987 -8.116 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.908 7.717 -10.004 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.781 8.659 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.634 8.712 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.847 7.152 -7.859 1.00 0.00 H new ATOM 351 N ILE A 23 6.811 7.571 -4.463 1.00 0.00 N ATOM 352 CA ILE A 23 6.959 8.372 -3.219 1.00 0.00 C ATOM 353 C ILE A 23 8.434 8.605 -2.917 1.00 0.00 C ATOM 354 O ILE A 23 9.309 8.125 -3.610 1.00 0.00 O ATOM 355 CB ILE A 23 6.324 7.626 -2.042 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.837 6.183 -2.007 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.807 7.623 -2.205 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.558 5.921 -0.681 1.00 0.00 C ATOM 0 H ILE A 23 6.985 6.571 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 23 6.460 9.331 -3.362 1.00 0.00 H new ATOM 0 HB ILE A 23 6.591 8.125 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.005 5.489 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.516 6.008 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.352 7.093 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.441 8.650 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.542 7.125 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.921 4.893 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.401 6.605 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.866 6.078 0.147 1.00 0.00 H new ATOM 370 N LYS A 24 8.712 9.335 -1.876 1.00 0.00 N ATOM 371 CA LYS A 24 10.124 9.597 -1.506 1.00 0.00 C ATOM 372 C LYS A 24 10.508 8.674 -0.349 1.00 0.00 C ATOM 373 O LYS A 24 9.672 7.959 0.169 1.00 0.00 O ATOM 374 CB LYS A 24 10.275 11.058 -1.075 1.00 0.00 C ATOM 375 CG LYS A 24 11.104 11.814 -2.115 1.00 0.00 C ATOM 376 CD LYS A 24 10.219 12.174 -3.309 1.00 0.00 C ATOM 377 CE LYS A 24 11.088 12.344 -4.556 1.00 0.00 C ATOM 378 NZ LYS A 24 10.922 11.157 -5.441 1.00 0.00 N ATOM 0 H LYS A 24 8.017 9.763 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 24 10.776 9.409 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.294 11.521 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.758 11.112 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.523 12.718 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.943 11.200 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.477 11.393 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.672 13.095 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.804 13.251 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.134 12.455 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.512 11.271 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.213 10.299 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.925 11.071 -5.722 1.00 0.00 H new ATOM 392 N PRO A 25 11.758 8.710 0.022 1.00 0.00 N ATOM 393 CA PRO A 25 12.276 7.877 1.118 1.00 0.00 C ATOM 394 C PRO A 25 11.874 8.464 2.474 1.00 0.00 C ATOM 395 O PRO A 25 12.659 9.110 3.139 1.00 0.00 O ATOM 396 CB PRO A 25 13.794 7.927 0.920 1.00 0.00 C ATOM 397 CG PRO A 25 14.085 9.206 0.099 1.00 0.00 C ATOM 398 CD PRO A 25 12.770 9.581 -0.612 1.00 0.00 C ATOM 0 HA PRO A 25 11.886 6.859 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.310 7.956 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.147 7.039 0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.419 10.015 0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.880 9.029 -0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.530 10.636 -0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.832 9.404 -1.686 1.00 0.00 H new ATOM 406 N GLY A 26 10.655 8.242 2.893 1.00 0.00 N ATOM 407 CA GLY A 26 10.212 8.788 4.208 1.00 0.00 C ATOM 408 C GLY A 26 8.826 9.419 4.070 1.00 0.00 C ATOM 409 O GLY A 26 8.173 9.722 5.049 1.00 0.00 O ATOM 0 H GLY A 26 9.951 7.709 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.186 7.992 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.926 9.532 4.562 1.00 0.00 H new ATOM 413 N ASP A 27 8.368 9.618 2.866 1.00 0.00 N ATOM 414 CA ASP A 27 7.022 10.228 2.677 1.00 0.00 C ATOM 415 C ASP A 27 5.982 9.405 3.441 1.00 0.00 C ATOM 416 O ASP A 27 6.306 8.431 4.091 1.00 0.00 O ATOM 417 CB ASP A 27 6.674 10.247 1.188 1.00 0.00 C ATOM 418 CG ASP A 27 7.319 11.469 0.531 1.00 0.00 C ATOM 419 OD1 ASP A 27 7.923 12.251 1.247 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.200 11.602 -0.676 1.00 0.00 O ATOM 0 H ASP A 27 8.866 9.386 2.006 1.00 0.00 H new ATOM 0 HA ASP A 27 7.026 11.250 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.027 9.334 0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.592 10.278 1.056 1.00 0.00 H new ATOM 425 N THR A 28 4.736 9.788 3.374 1.00 0.00 N ATOM 426 CA THR A 28 3.681 9.031 4.099 1.00 0.00 C ATOM 427 C THR A 28 2.564 8.644 3.126 1.00 0.00 C ATOM 428 O THR A 28 1.858 9.487 2.609 1.00 0.00 O ATOM 429 CB THR A 28 3.103 9.904 5.216 1.00 0.00 C ATOM 430 OG1 THR A 28 4.152 10.303 6.092 1.00 0.00 O ATOM 431 CG2 THR A 28 2.049 9.108 5.991 1.00 0.00 C ATOM 0 H THR A 28 4.404 10.595 2.846 1.00 0.00 H new ATOM 0 HA THR A 28 4.115 8.128 4.529 1.00 0.00 H new ATOM 0 HB THR A 28 2.636 10.791 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.785 10.864 6.807 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.637 9.729 6.787 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.249 8.808 5.314 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.510 8.220 6.425 1.00 0.00 H new ATOM 439 N VAL A 29 2.397 7.374 2.871 1.00 0.00 N ATOM 440 CA VAL A 29 1.329 6.936 1.935 1.00 0.00 C ATOM 441 C VAL A 29 0.165 6.339 2.730 1.00 0.00 C ATOM 442 O VAL A 29 0.354 5.506 3.594 1.00 0.00 O ATOM 443 CB VAL A 29 1.887 5.881 0.977 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.064 5.874 -0.312 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.344 6.213 0.648 1.00 0.00 C ATOM 0 H VAL A 29 2.957 6.622 3.273 1.00 0.00 H new ATOM 0 HA VAL A 29 0.976 7.794 1.363 1.00 0.00 H new ATOM 0 HB VAL A 29 1.833 4.899 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.462 5.122 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.025 5.639 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.117 6.856 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.743 5.462 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.396 7.195 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.932 6.218 1.566 1.00 0.00 H new ATOM 455 N GLU A 30 -1.037 6.761 2.448 1.00 0.00 N ATOM 456 CA GLU A 30 -2.208 6.223 3.187 1.00 0.00 C ATOM 457 C GLU A 30 -2.929 5.184 2.325 1.00 0.00 C ATOM 458 O GLU A 30 -2.845 5.199 1.114 1.00 0.00 O ATOM 459 CB GLU A 30 -3.170 7.364 3.523 1.00 0.00 C ATOM 460 CG GLU A 30 -2.745 8.024 4.837 1.00 0.00 C ATOM 461 CD GLU A 30 -2.374 9.484 4.577 1.00 0.00 C ATOM 462 OE1 GLU A 30 -2.909 10.054 3.640 1.00 0.00 O ATOM 463 OE2 GLU A 30 -1.561 10.009 5.320 1.00 0.00 O ATOM 0 H GLU A 30 -1.257 7.457 1.735 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.866 5.753 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.172 8.100 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.187 6.982 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.556 7.967 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.895 7.492 5.265 1.00 0.00 H new ATOM 470 N PHE A 31 -3.640 4.283 2.945 1.00 0.00 N ATOM 471 CA PHE A 31 -4.373 3.238 2.170 1.00 0.00 C ATOM 472 C PHE A 31 -5.649 2.869 2.936 1.00 0.00 C ATOM 473 O PHE A 31 -5.667 1.933 3.707 1.00 0.00 O ATOM 474 CB PHE A 31 -3.488 1.989 2.001 1.00 0.00 C ATOM 475 CG PHE A 31 -2.044 2.315 2.334 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.674 2.579 3.660 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.076 2.356 1.320 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.345 2.882 3.971 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.255 2.658 1.634 1.00 0.00 C ATOM 480 CZ PHE A 31 0.620 2.922 2.959 1.00 0.00 C ATOM 0 H PHE A 31 -3.746 4.224 3.958 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.627 3.621 1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.846 1.191 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.558 1.622 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.417 2.548 4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.357 2.155 0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.063 3.085 4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.000 2.687 0.853 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.646 3.157 3.200 1.00 0.00 H new ATOM 490 N LEU A 32 -6.712 3.614 2.741 1.00 0.00 N ATOM 491 CA LEU A 32 -7.979 3.333 3.479 1.00 0.00 C ATOM 492 C LEU A 32 -8.939 2.511 2.622 1.00 0.00 C ATOM 493 O LEU A 32 -8.648 2.158 1.496 1.00 0.00 O ATOM 494 CB LEU A 32 -8.651 4.657 3.849 1.00 0.00 C ATOM 495 CG LEU A 32 -7.581 5.698 4.181 1.00 0.00 C ATOM 496 CD1 LEU A 32 -7.359 6.605 2.969 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.044 6.542 5.371 1.00 0.00 C ATOM 0 H LEU A 32 -6.754 4.406 2.100 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.737 2.765 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.269 5.007 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.312 4.515 4.704 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.648 5.194 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.596 7.347 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.031 6.005 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.291 7.110 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.282 7.284 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.976 7.047 5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.204 5.897 6.235 1.00 0.00 H new ATOM 509 N ASN A 33 -10.084 2.192 3.165 1.00 0.00 N ATOM 510 CA ASN A 33 -11.074 1.378 2.412 1.00 0.00 C ATOM 511 C ASN A 33 -12.003 2.312 1.624 1.00 0.00 C ATOM 512 O ASN A 33 -12.163 3.468 1.963 1.00 0.00 O ATOM 513 CB ASN A 33 -11.869 0.518 3.414 1.00 0.00 C ATOM 514 CG ASN A 33 -13.143 1.219 3.881 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.270 2.422 3.796 1.00 0.00 O ATOM 516 ND2 ASN A 33 -14.097 0.498 4.390 1.00 0.00 N ATOM 0 H ASN A 33 -10.375 2.464 4.104 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.573 0.719 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.128 -0.434 2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.242 0.292 4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.954 0.944 4.718 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.989 -0.514 4.461 1.00 0.00 H new ATOM 523 N ASN A 34 -12.617 1.827 0.579 1.00 0.00 N ATOM 524 CA ASN A 34 -13.531 2.699 -0.214 1.00 0.00 C ATOM 525 C ASN A 34 -14.977 2.453 0.228 1.00 0.00 C ATOM 526 O ASN A 34 -15.573 3.262 0.910 1.00 0.00 O ATOM 527 CB ASN A 34 -13.382 2.374 -1.703 1.00 0.00 C ATOM 528 CG ASN A 34 -14.027 3.481 -2.538 1.00 0.00 C ATOM 529 OD1 ASN A 34 -13.364 4.411 -2.952 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.302 3.419 -2.807 1.00 0.00 N ATOM 0 H ASN A 34 -12.526 0.869 0.241 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.275 3.745 -0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.327 2.278 -1.961 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.853 1.416 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.742 4.151 -3.365 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.859 2.638 -2.460 1.00 0.00 H new ATOM 537 N LYS A 35 -15.540 1.337 -0.147 1.00 0.00 N ATOM 538 CA LYS A 35 -16.941 1.030 0.259 1.00 0.00 C ATOM 539 C LYS A 35 -17.201 -0.461 0.053 1.00 0.00 C ATOM 540 O LYS A 35 -18.302 -0.879 -0.245 1.00 0.00 O ATOM 541 CB LYS A 35 -17.922 1.846 -0.586 1.00 0.00 C ATOM 542 CG LYS A 35 -19.247 1.985 0.167 1.00 0.00 C ATOM 543 CD LYS A 35 -19.704 3.444 0.136 1.00 0.00 C ATOM 544 CE LYS A 35 -19.948 3.933 1.565 1.00 0.00 C ATOM 545 NZ LYS A 35 -20.022 5.421 1.575 1.00 0.00 N ATOM 0 H LYS A 35 -15.089 0.623 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.082 1.289 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.506 2.831 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.086 1.357 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.004 1.346 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.127 1.653 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.948 4.063 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.617 3.538 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.875 3.510 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.145 3.594 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.188 5.754 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.127 5.815 1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.803 5.734 0.964 1.00 0.00 H new ATOM 559 N VAL A 36 -16.188 -1.262 0.217 1.00 0.00 N ATOM 560 CA VAL A 36 -16.351 -2.732 0.040 1.00 0.00 C ATOM 561 C VAL A 36 -15.237 -3.449 0.809 1.00 0.00 C ATOM 562 O VAL A 36 -14.401 -4.107 0.222 1.00 0.00 O ATOM 563 CB VAL A 36 -16.260 -3.082 -1.445 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.585 -4.564 -1.639 1.00 0.00 C ATOM 565 CG2 VAL A 36 -17.265 -2.235 -2.229 1.00 0.00 C ATOM 0 H VAL A 36 -15.247 -0.960 0.468 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.323 -3.046 0.420 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.252 -2.880 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.521 -4.815 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.872 -5.169 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.594 -4.765 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.202 -2.483 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.273 -2.439 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.037 -1.178 -2.090 1.00 0.00 H new ATOM 575 N PRO A 37 -15.262 -3.286 2.108 1.00 0.00 N ATOM 576 CA PRO A 37 -14.264 -3.888 3.016 1.00 0.00 C ATOM 577 C PRO A 37 -14.548 -5.378 3.235 1.00 0.00 C ATOM 578 O PRO A 37 -15.534 -5.895 2.748 1.00 0.00 O ATOM 579 CB PRO A 37 -14.451 -3.092 4.316 1.00 0.00 C ATOM 580 CG PRO A 37 -15.873 -2.490 4.269 1.00 0.00 C ATOM 581 CD PRO A 37 -16.298 -2.483 2.792 1.00 0.00 C ATOM 0 HA PRO A 37 -13.247 -3.840 2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.333 -3.738 5.186 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.701 -2.306 4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.564 -3.082 4.868 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.880 -1.480 4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.289 -2.918 2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.341 -1.469 2.396 1.00 0.00 H new ATOM 589 N PRO A 38 -13.684 -6.021 3.986 1.00 0.00 N ATOM 590 CA PRO A 38 -12.484 -5.397 4.580 1.00 0.00 C ATOM 591 C PRO A 38 -11.296 -5.446 3.616 1.00 0.00 C ATOM 592 O PRO A 38 -11.244 -6.261 2.718 1.00 0.00 O ATOM 593 CB PRO A 38 -12.195 -6.285 5.790 1.00 0.00 C ATOM 594 CG PRO A 38 -12.839 -7.662 5.486 1.00 0.00 C ATOM 595 CD PRO A 38 -13.852 -7.440 4.347 1.00 0.00 C ATOM 0 HA PRO A 38 -12.639 -4.346 4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.122 -6.385 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.614 -5.852 6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.080 -8.387 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.334 -8.061 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.648 -8.094 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.871 -7.650 4.673 1.00 0.00 H new ATOM 603 N HIS A 39 -10.332 -4.585 3.820 1.00 0.00 N ATOM 604 CA HIS A 39 -9.128 -4.574 2.939 1.00 0.00 C ATOM 605 C HIS A 39 -7.880 -4.847 3.781 1.00 0.00 C ATOM 606 O HIS A 39 -7.756 -4.377 4.894 1.00 0.00 O ATOM 607 CB HIS A 39 -8.993 -3.203 2.267 1.00 0.00 C ATOM 608 CG HIS A 39 -10.112 -3.024 1.284 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.927 -3.176 -0.087 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.443 -2.752 1.462 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.131 -2.999 -0.668 1.00 0.00 C ATOM 612 NE2 HIS A 39 -12.077 -2.748 0.232 1.00 0.00 N ATOM 0 H HIS A 39 -10.328 -3.886 4.563 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.233 -5.345 2.175 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.022 -2.413 3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.031 -3.126 1.760 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.922 -2.569 2.413 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.305 -3.054 -1.732 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.068 -2.586 0.052 1.00 0.00 H new ATOM 620 N ASN A 40 -6.952 -5.597 3.255 1.00 0.00 N ATOM 621 CA ASN A 40 -5.709 -5.893 4.022 1.00 0.00 C ATOM 622 C ASN A 40 -4.509 -5.328 3.260 1.00 0.00 C ATOM 623 O ASN A 40 -4.247 -5.700 2.133 1.00 0.00 O ATOM 624 CB ASN A 40 -5.554 -7.407 4.181 1.00 0.00 C ATOM 625 CG ASN A 40 -4.161 -7.726 4.729 1.00 0.00 C ATOM 626 OD1 ASN A 40 -3.576 -8.732 4.381 1.00 0.00 O ATOM 627 ND2 ASN A 40 -3.602 -6.906 5.576 1.00 0.00 N ATOM 0 H ASN A 40 -7.000 -6.018 2.327 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.765 -5.435 5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.318 -7.792 4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.700 -7.900 3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.674 -7.110 5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.093 -6.061 5.868 1.00 0.00 H new ATOM 634 N VAL A 41 -3.784 -4.423 3.857 1.00 0.00 N ATOM 635 CA VAL A 41 -2.613 -3.828 3.157 1.00 0.00 C ATOM 636 C VAL A 41 -1.320 -4.490 3.652 1.00 0.00 C ATOM 637 O VAL A 41 -1.060 -4.571 4.837 1.00 0.00 O ATOM 638 CB VAL A 41 -2.591 -2.312 3.424 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.152 -1.782 3.467 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.351 -1.597 2.305 1.00 0.00 C ATOM 0 H VAL A 41 -3.952 -4.070 4.799 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.691 -3.999 2.083 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.061 -2.123 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.165 -0.709 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.603 -2.285 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.664 -1.975 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.340 -0.522 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.873 -1.808 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.382 -1.951 2.282 1.00 0.00 H new ATOM 650 N VAL A 42 -0.508 -4.954 2.742 1.00 0.00 N ATOM 651 CA VAL A 42 0.776 -5.604 3.130 1.00 0.00 C ATOM 652 C VAL A 42 1.743 -5.530 1.945 1.00 0.00 C ATOM 653 O VAL A 42 1.349 -5.249 0.831 1.00 0.00 O ATOM 654 CB VAL A 42 0.540 -7.074 3.505 1.00 0.00 C ATOM 655 CG1 VAL A 42 0.507 -7.214 5.027 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.792 -7.559 2.923 1.00 0.00 C ATOM 0 H VAL A 42 -0.681 -4.910 1.738 1.00 0.00 H new ATOM 0 HA VAL A 42 1.195 -5.087 3.993 1.00 0.00 H new ATOM 0 HB VAL A 42 1.350 -7.678 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.339 -8.258 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.458 -6.882 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.300 -6.603 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.949 -8.603 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.606 -6.953 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.770 -7.466 1.837 1.00 0.00 H new ATOM 666 N PHE A 43 3.004 -5.780 2.171 1.00 0.00 N ATOM 667 CA PHE A 43 3.982 -5.723 1.047 1.00 0.00 C ATOM 668 C PHE A 43 4.720 -7.060 0.951 1.00 0.00 C ATOM 669 O PHE A 43 5.156 -7.611 1.942 1.00 0.00 O ATOM 670 CB PHE A 43 4.999 -4.599 1.289 1.00 0.00 C ATOM 671 CG PHE A 43 4.324 -3.406 1.915 1.00 0.00 C ATOM 672 CD1 PHE A 43 3.840 -3.488 3.225 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.202 -2.212 1.196 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.238 -2.376 3.817 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.593 -1.100 1.788 1.00 0.00 C ATOM 676 CZ PHE A 43 3.115 -1.183 3.101 1.00 0.00 C ATOM 0 H PHE A 43 3.398 -6.020 3.081 1.00 0.00 H new ATOM 0 HA PHE A 43 3.447 -5.526 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.797 -4.956 1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.462 -4.309 0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.932 -4.411 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.577 -2.149 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.867 -2.438 4.829 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.492 -0.179 1.233 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.650 -0.323 3.561 1.00 0.00 H new ATOM 686 N ASP A 44 4.862 -7.588 -0.235 1.00 0.00 N ATOM 687 CA ASP A 44 5.571 -8.889 -0.390 1.00 0.00 C ATOM 688 C ASP A 44 7.048 -8.707 -0.034 1.00 0.00 C ATOM 689 O ASP A 44 7.691 -7.771 -0.466 1.00 0.00 O ATOM 690 CB ASP A 44 5.449 -9.371 -1.837 1.00 0.00 C ATOM 691 CG ASP A 44 5.929 -10.820 -1.935 1.00 0.00 C ATOM 692 OD1 ASP A 44 6.668 -11.239 -1.059 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.551 -11.487 -2.884 1.00 0.00 O ATOM 0 H ASP A 44 4.518 -7.175 -1.102 1.00 0.00 H new ATOM 0 HA ASP A 44 5.124 -9.628 0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.414 -9.296 -2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.042 -8.735 -2.494 1.00 0.00 H new ATOM 698 N ALA A 45 7.589 -9.593 0.756 1.00 0.00 N ATOM 699 CA ALA A 45 9.018 -9.472 1.148 1.00 0.00 C ATOM 700 C ALA A 45 9.912 -10.051 0.047 1.00 0.00 C ATOM 701 O ALA A 45 11.099 -10.231 0.233 1.00 0.00 O ATOM 702 CB ALA A 45 9.253 -10.238 2.450 1.00 0.00 C ATOM 0 H ALA A 45 7.100 -10.398 1.147 1.00 0.00 H new ATOM 0 HA ALA A 45 9.263 -8.420 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.300 -10.151 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.623 -9.821 3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.003 -11.289 2.304 1.00 0.00 H new ATOM 708 N ALA A 46 9.357 -10.343 -1.096 1.00 0.00 N ATOM 709 CA ALA A 46 10.184 -10.909 -2.199 1.00 0.00 C ATOM 710 C ALA A 46 10.168 -9.950 -3.391 1.00 0.00 C ATOM 711 O ALA A 46 10.457 -10.329 -4.508 1.00 0.00 O ATOM 712 CB ALA A 46 9.610 -12.262 -2.626 1.00 0.00 C ATOM 0 H ALA A 46 8.369 -10.215 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 46 11.209 -11.043 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.215 -12.676 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.620 -12.946 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.585 -12.129 -2.973 1.00 0.00 H new ATOM 718 N LEU A 47 9.830 -8.710 -3.164 1.00 0.00 N ATOM 719 CA LEU A 47 9.794 -7.733 -4.288 1.00 0.00 C ATOM 720 C LEU A 47 10.506 -6.443 -3.873 1.00 0.00 C ATOM 721 O LEU A 47 9.985 -5.358 -4.034 1.00 0.00 O ATOM 722 CB LEU A 47 8.338 -7.419 -4.641 1.00 0.00 C ATOM 723 CG LEU A 47 7.901 -8.284 -5.824 1.00 0.00 C ATOM 724 CD1 LEU A 47 7.087 -9.474 -5.314 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.041 -7.449 -6.775 1.00 0.00 C ATOM 0 H LEU A 47 9.578 -8.332 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 47 10.298 -8.160 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.695 -7.609 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.233 -6.363 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 47 8.782 -8.647 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.776 -10.090 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.699 -10.069 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.206 -9.112 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.729 -8.065 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.160 -7.086 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.620 -6.601 -7.140 1.00 0.00 H new ATOM 737 N ASN A 48 11.695 -6.551 -3.345 1.00 0.00 N ATOM 738 CA ASN A 48 12.436 -5.328 -2.927 1.00 0.00 C ATOM 739 C ASN A 48 13.733 -5.220 -3.734 1.00 0.00 C ATOM 740 O ASN A 48 14.195 -6.194 -4.294 1.00 0.00 O ATOM 741 CB ASN A 48 12.768 -5.412 -1.436 1.00 0.00 C ATOM 742 CG ASN A 48 13.151 -6.848 -1.079 1.00 0.00 C ATOM 743 OD1 ASN A 48 14.263 -7.272 -1.326 1.00 0.00 O ATOM 744 ND2 ASN A 48 12.271 -7.621 -0.503 1.00 0.00 N ATOM 0 H ASN A 48 12.184 -7.432 -3.185 1.00 0.00 H new ATOM 0 HA ASN A 48 11.818 -4.449 -3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.588 -4.735 -1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.910 -5.095 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.517 -8.581 -0.260 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.338 -7.265 -0.296 1.00 0.00 H new ATOM 751 N PRO A 49 14.279 -4.031 -3.772 1.00 0.00 N ATOM 752 CA PRO A 49 15.525 -3.755 -4.508 1.00 0.00 C ATOM 753 C PRO A 49 16.741 -4.249 -3.717 1.00 0.00 C ATOM 754 O PRO A 49 17.859 -4.205 -4.192 1.00 0.00 O ATOM 755 CB PRO A 49 15.538 -2.229 -4.629 1.00 0.00 C ATOM 756 CG PRO A 49 14.635 -1.694 -3.492 1.00 0.00 C ATOM 757 CD PRO A 49 13.708 -2.854 -3.084 1.00 0.00 C ATOM 0 HA PRO A 49 15.570 -4.257 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.552 -1.840 -4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.164 -1.913 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.235 -1.361 -2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.055 -0.835 -3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.694 -2.992 -2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.680 -2.671 -3.395 1.00 0.00 H new ATOM 765 N ALA A 50 16.536 -4.720 -2.517 1.00 0.00 N ATOM 766 CA ALA A 50 17.689 -5.212 -1.710 1.00 0.00 C ATOM 767 C ALA A 50 17.421 -6.645 -1.253 1.00 0.00 C ATOM 768 O ALA A 50 17.929 -7.090 -0.243 1.00 0.00 O ATOM 769 CB ALA A 50 17.885 -4.309 -0.490 1.00 0.00 C ATOM 0 H ALA A 50 15.625 -4.785 -2.062 1.00 0.00 H new ATOM 0 HA ALA A 50 18.592 -5.192 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.728 -4.670 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 50 18.083 -3.289 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 50 16.983 -4.323 0.122 1.00 0.00 H new ATOM 775 N LYS A 51 16.636 -7.365 -2.007 1.00 0.00 N ATOM 776 CA LYS A 51 16.316 -8.785 -1.659 1.00 0.00 C ATOM 777 C LYS A 51 16.250 -8.960 -0.139 1.00 0.00 C ATOM 778 O LYS A 51 16.685 -9.960 0.398 1.00 0.00 O ATOM 779 CB LYS A 51 17.402 -9.701 -2.226 1.00 0.00 C ATOM 780 CG LYS A 51 18.737 -9.390 -1.548 1.00 0.00 C ATOM 781 CD LYS A 51 19.828 -10.289 -2.131 1.00 0.00 C ATOM 782 CE LYS A 51 19.634 -11.719 -1.625 1.00 0.00 C ATOM 783 NZ LYS A 51 19.957 -12.679 -2.717 1.00 0.00 N ATOM 0 H LYS A 51 16.195 -7.027 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 51 15.348 -9.044 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.134 -10.745 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.487 -9.558 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.997 -8.342 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 51 18.656 -9.549 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.788 -10.269 -3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.812 -9.920 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.276 -11.902 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.606 -11.862 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.825 -13.652 -2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.327 -12.509 -3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.945 -12.547 -3.014 1.00 0.00 H new ATOM 797 N SER A 52 15.713 -7.999 0.561 1.00 0.00 N ATOM 798 CA SER A 52 15.628 -8.119 2.045 1.00 0.00 C ATOM 799 C SER A 52 14.161 -8.174 2.474 1.00 0.00 C ATOM 800 O SER A 52 13.264 -7.947 1.686 1.00 0.00 O ATOM 801 CB SER A 52 16.305 -6.911 2.693 1.00 0.00 C ATOM 802 OG SER A 52 17.680 -7.201 2.904 1.00 0.00 O ATOM 0 H SER A 52 15.330 -7.138 0.171 1.00 0.00 H new ATOM 0 HA SER A 52 16.131 -9.032 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.200 -6.034 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.822 -6.674 3.641 1.00 0.00 H new ATOM 0 HG SER A 52 18.143 -7.236 2.041 1.00 0.00 H new ATOM 808 N ALA A 53 13.907 -8.475 3.718 1.00 0.00 N ATOM 809 CA ALA A 53 12.497 -8.545 4.195 1.00 0.00 C ATOM 810 C ALA A 53 12.397 -7.927 5.592 1.00 0.00 C ATOM 811 O ALA A 53 11.876 -8.527 6.511 1.00 0.00 O ATOM 812 CB ALA A 53 12.053 -10.008 4.251 1.00 0.00 C ATOM 0 H ALA A 53 14.615 -8.675 4.425 1.00 0.00 H new ATOM 0 HA ALA A 53 11.853 -7.994 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.022 -10.062 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.123 -10.448 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.697 -10.558 4.937 1.00 0.00 H new ATOM 818 N ASP A 54 12.892 -6.732 5.757 1.00 0.00 N ATOM 819 CA ASP A 54 12.827 -6.075 7.088 1.00 0.00 C ATOM 820 C ASP A 54 11.939 -4.832 7.001 1.00 0.00 C ATOM 821 O ASP A 54 11.140 -4.565 7.876 1.00 0.00 O ATOM 822 CB ASP A 54 14.235 -5.670 7.528 1.00 0.00 C ATOM 823 CG ASP A 54 15.186 -6.856 7.355 1.00 0.00 C ATOM 824 OD1 ASP A 54 14.716 -7.980 7.416 1.00 0.00 O ATOM 825 OD2 ASP A 54 16.368 -6.620 7.167 1.00 0.00 O ATOM 0 H ASP A 54 13.340 -6.182 5.024 1.00 0.00 H new ATOM 0 HA ASP A 54 12.407 -6.770 7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.582 -4.823 6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.223 -5.349 8.569 1.00 0.00 H new ATOM 830 N LEU A 55 12.073 -4.070 5.951 1.00 0.00 N ATOM 831 CA LEU A 55 11.238 -2.845 5.809 1.00 0.00 C ATOM 832 C LEU A 55 9.758 -3.225 5.879 1.00 0.00 C ATOM 833 O LEU A 55 8.927 -2.440 6.288 1.00 0.00 O ATOM 834 CB LEU A 55 11.535 -2.182 4.463 1.00 0.00 C ATOM 835 CG LEU A 55 10.932 -3.018 3.334 1.00 0.00 C ATOM 836 CD1 LEU A 55 9.639 -2.362 2.848 1.00 0.00 C ATOM 837 CD2 LEU A 55 11.929 -3.100 2.175 1.00 0.00 C ATOM 0 H LEU A 55 12.725 -4.243 5.185 1.00 0.00 H new ATOM 0 HA LEU A 55 11.470 -2.149 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.121 -1.174 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.612 -2.087 4.323 1.00 0.00 H new ATOM 0 HG LEU A 55 10.714 -4.021 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.209 -2.958 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.929 -2.301 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.856 -1.359 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.501 -3.696 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.145 -2.096 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.851 -3.567 2.521 1.00 0.00 H new ATOM 849 N ALA A 56 9.421 -4.422 5.485 1.00 0.00 N ATOM 850 CA ALA A 56 7.993 -4.846 5.531 1.00 0.00 C ATOM 851 C ALA A 56 7.626 -5.253 6.959 1.00 0.00 C ATOM 852 O ALA A 56 6.519 -5.036 7.412 1.00 0.00 O ATOM 853 CB ALA A 56 7.785 -6.034 4.591 1.00 0.00 C ATOM 0 H ALA A 56 10.072 -5.124 5.133 1.00 0.00 H new ATOM 0 HA ALA A 56 7.358 -4.018 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.741 -6.345 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.045 -5.743 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.420 -6.862 4.905 1.00 0.00 H new ATOM 859 N LYS A 57 8.545 -5.843 7.674 1.00 0.00 N ATOM 860 CA LYS A 57 8.246 -6.262 9.072 1.00 0.00 C ATOM 861 C LYS A 57 7.653 -5.080 9.840 1.00 0.00 C ATOM 862 O LYS A 57 6.964 -5.249 10.827 1.00 0.00 O ATOM 863 CB LYS A 57 9.537 -6.719 9.757 1.00 0.00 C ATOM 864 CG LYS A 57 9.200 -7.377 11.097 1.00 0.00 C ATOM 865 CD LYS A 57 9.744 -6.518 12.240 1.00 0.00 C ATOM 866 CE LYS A 57 9.927 -7.384 13.488 1.00 0.00 C ATOM 867 NZ LYS A 57 10.680 -6.616 14.519 1.00 0.00 N ATOM 0 H LYS A 57 9.489 -6.053 7.350 1.00 0.00 H new ATOM 0 HA LYS A 57 7.532 -7.085 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.070 -7.423 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.199 -5.867 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.121 -7.492 11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.632 -8.377 11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.696 -6.071 11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.058 -5.698 12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.956 -7.685 13.881 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.465 -8.297 13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.805 -7.204 15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.612 -6.350 14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.150 -5.757 14.768 1.00 0.00 H new ATOM 881 N SER A 58 7.916 -3.881 9.395 1.00 0.00 N ATOM 882 CA SER A 58 7.368 -2.688 10.101 1.00 0.00 C ATOM 883 C SER A 58 6.544 -1.846 9.124 1.00 0.00 C ATOM 884 O SER A 58 6.278 -0.685 9.362 1.00 0.00 O ATOM 885 CB SER A 58 8.523 -1.848 10.649 1.00 0.00 C ATOM 886 OG SER A 58 9.103 -2.516 11.762 1.00 0.00 O ATOM 0 H SER A 58 8.486 -3.676 8.574 1.00 0.00 H new ATOM 0 HA SER A 58 6.731 -3.014 10.923 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.273 -1.690 9.874 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.162 -0.864 10.948 1.00 0.00 H new ATOM 0 HG SER A 58 9.845 -1.981 12.114 1.00 0.00 H new ATOM 892 N LEU A 59 6.136 -2.420 8.024 1.00 0.00 N ATOM 893 CA LEU A 59 5.329 -1.649 7.035 1.00 0.00 C ATOM 894 C LEU A 59 3.968 -2.317 6.851 1.00 0.00 C ATOM 895 O LEU A 59 2.950 -1.660 6.769 1.00 0.00 O ATOM 896 CB LEU A 59 6.058 -1.621 5.692 1.00 0.00 C ATOM 897 CG LEU A 59 5.553 -0.454 4.850 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.064 0.862 5.438 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.076 -0.608 3.422 1.00 0.00 C ATOM 0 H LEU A 59 6.327 -3.389 7.768 1.00 0.00 H new ATOM 0 HA LEU A 59 5.191 -0.631 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.132 -1.526 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.897 -2.560 5.162 1.00 0.00 H new ATOM 0 HG LEU A 59 4.463 -0.448 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.702 1.695 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.701 0.969 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.154 0.861 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.720 0.222 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.166 -0.609 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.716 -1.547 3.002 1.00 0.00 H new ATOM 911 N SER A 60 3.940 -3.621 6.774 1.00 0.00 N ATOM 912 CA SER A 60 2.641 -4.325 6.582 1.00 0.00 C ATOM 913 C SER A 60 1.893 -4.381 7.913 1.00 0.00 C ATOM 914 O SER A 60 2.422 -4.810 8.920 1.00 0.00 O ATOM 915 CB SER A 60 2.901 -5.747 6.083 1.00 0.00 C ATOM 916 OG SER A 60 4.294 -6.021 6.151 1.00 0.00 O ATOM 0 H SER A 60 4.758 -4.227 6.836 1.00 0.00 H new ATOM 0 HA SER A 60 2.040 -3.787 5.849 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.348 -6.464 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.547 -5.855 5.058 1.00 0.00 H new ATOM 0 HG SER A 60 4.464 -6.932 5.833 1.00 0.00 H new ATOM 922 N HIS A 61 0.665 -3.944 7.925 1.00 0.00 N ATOM 923 CA HIS A 61 -0.123 -3.963 9.189 1.00 0.00 C ATOM 924 C HIS A 61 -1.202 -5.042 9.101 1.00 0.00 C ATOM 925 O HIS A 61 -1.859 -5.197 8.091 1.00 0.00 O ATOM 926 CB HIS A 61 -0.782 -2.596 9.405 1.00 0.00 C ATOM 927 CG HIS A 61 -1.107 -1.974 8.075 1.00 0.00 C ATOM 928 ND1 HIS A 61 -0.432 -0.856 7.597 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.030 -2.299 7.113 1.00 0.00 C ATOM 930 CE1 HIS A 61 -0.960 -0.557 6.395 1.00 0.00 C ATOM 931 NE2 HIS A 61 -1.931 -1.403 6.059 1.00 0.00 N ATOM 0 H HIS A 61 0.172 -3.574 7.113 1.00 0.00 H new ATOM 0 HA HIS A 61 0.541 -4.180 10.026 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.691 -2.709 9.996 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.114 -1.945 9.968 1.00 0.00 H new ATOM 0 HD1 HIS A 61 0.322 -0.356 8.069 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.725 -3.124 7.168 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.635 0.268 5.779 1.00 0.00 H new ATOM 939 N LYS A 62 -1.390 -5.792 10.152 1.00 0.00 N ATOM 940 CA LYS A 62 -2.425 -6.863 10.129 1.00 0.00 C ATOM 941 C LYS A 62 -3.781 -6.271 10.514 1.00 0.00 C ATOM 942 O LYS A 62 -3.996 -5.078 10.430 1.00 0.00 O ATOM 943 CB LYS A 62 -2.049 -7.956 11.131 1.00 0.00 C ATOM 944 CG LYS A 62 -1.844 -9.279 10.393 1.00 0.00 C ATOM 945 CD LYS A 62 -1.898 -10.435 11.394 1.00 0.00 C ATOM 946 CE LYS A 62 -3.114 -11.314 11.096 1.00 0.00 C ATOM 947 NZ LYS A 62 -2.958 -12.627 11.783 1.00 0.00 N ATOM 0 H LYS A 62 -0.871 -5.709 11.026 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.483 -7.288 9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.138 -7.679 11.662 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.834 -8.063 11.879 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.614 -9.406 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.884 -9.275 9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.985 -11.027 11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.957 -10.047 12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.025 -10.820 11.435 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.213 -11.464 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.784 -13.225 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.097 -13.098 11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.883 -12.475 12.809 1.00 0.00 H new ATOM 961 N GLN A 63 -4.697 -7.099 10.936 1.00 0.00 N ATOM 962 CA GLN A 63 -6.041 -6.592 11.331 1.00 0.00 C ATOM 963 C GLN A 63 -6.865 -6.295 10.076 1.00 0.00 C ATOM 964 O GLN A 63 -6.376 -5.720 9.124 1.00 0.00 O ATOM 965 CB GLN A 63 -5.884 -5.311 12.152 1.00 0.00 C ATOM 966 CG GLN A 63 -7.150 -5.075 12.977 1.00 0.00 C ATOM 967 CD GLN A 63 -7.412 -3.572 13.094 1.00 0.00 C ATOM 968 OE1 GLN A 63 -8.526 -3.122 12.910 1.00 0.00 O ATOM 969 NE2 GLN A 63 -6.427 -2.770 13.394 1.00 0.00 N ATOM 0 H GLN A 63 -4.572 -8.107 11.024 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.550 -7.347 11.930 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.018 -5.392 12.810 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.704 -4.463 11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.001 -5.567 12.506 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.037 -5.513 13.969 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.492 -3.147 13.549 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.592 -1.767 13.474 1.00 0.00 H new ATOM 978 N LEU A 64 -8.112 -6.680 10.067 1.00 0.00 N ATOM 979 CA LEU A 64 -8.963 -6.415 8.873 1.00 0.00 C ATOM 980 C LEU A 64 -9.569 -5.014 8.980 1.00 0.00 C ATOM 981 O LEU A 64 -10.081 -4.626 10.011 1.00 0.00 O ATOM 982 CB LEU A 64 -10.085 -7.454 8.802 1.00 0.00 C ATOM 983 CG LEU A 64 -9.478 -8.847 8.638 1.00 0.00 C ATOM 984 CD1 LEU A 64 -9.254 -9.472 10.015 1.00 0.00 C ATOM 985 CD2 LEU A 64 -10.434 -9.726 7.828 1.00 0.00 C ATOM 0 H LEU A 64 -8.577 -7.166 10.834 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.353 -6.479 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.691 -7.414 9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.748 -7.233 7.965 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.524 -8.769 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.821 -10.465 9.898 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.574 -8.846 10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.207 -9.551 10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.003 -10.720 7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.387 -9.804 8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.594 -9.281 6.846 1.00 0.00 H new ATOM 997 N LEU A 65 -9.514 -4.252 7.922 1.00 0.00 N ATOM 998 CA LEU A 65 -10.085 -2.877 7.964 1.00 0.00 C ATOM 999 C LEU A 65 -11.603 -2.949 7.783 1.00 0.00 C ATOM 1000 O LEU A 65 -12.097 -3.494 6.815 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.477 -2.036 6.839 1.00 0.00 C ATOM 1002 CG LEU A 65 -7.953 -2.167 6.867 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.385 -1.828 5.488 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -7.379 -1.200 7.904 1.00 0.00 C ATOM 0 H LEU A 65 -9.098 -4.523 7.031 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.855 -2.418 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.863 -2.367 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.765 -0.991 6.956 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.681 -3.189 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.299 -1.922 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.794 -2.515 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.656 -0.806 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.293 -1.292 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.652 -0.178 7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.783 -1.440 8.888 1.00 0.00 H new ATOM 1016 N MET A 66 -12.347 -2.404 8.706 1.00 0.00 N ATOM 1017 CA MET A 66 -13.831 -2.442 8.584 1.00 0.00 C ATOM 1018 C MET A 66 -14.390 -1.019 8.669 1.00 0.00 C ATOM 1019 O MET A 66 -15.588 -0.814 8.675 1.00 0.00 O ATOM 1020 CB MET A 66 -14.412 -3.287 9.719 1.00 0.00 C ATOM 1021 CG MET A 66 -14.337 -4.767 9.342 1.00 0.00 C ATOM 1022 SD MET A 66 -14.361 -5.774 10.846 1.00 0.00 S ATOM 1023 CE MET A 66 -12.810 -6.659 10.553 1.00 0.00 C ATOM 0 H MET A 66 -11.991 -1.934 9.539 1.00 0.00 H new ATOM 0 HA MET A 66 -14.105 -2.881 7.625 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.859 -3.107 10.641 1.00 0.00 H new ATOM 0 HB3 MET A 66 -15.447 -3.001 9.907 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.177 -5.033 8.700 1.00 0.00 H new ATOM 0 HG3 MET A 66 -13.427 -4.963 8.775 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.792 -7.570 11.151 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.732 -6.917 9.497 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.970 -6.024 10.834 1.00 0.00 H new ATOM 1033 N SER A 67 -13.535 -0.034 8.734 1.00 0.00 N ATOM 1034 CA SER A 67 -14.026 1.371 8.816 1.00 0.00 C ATOM 1035 C SER A 67 -14.139 1.952 7.403 1.00 0.00 C ATOM 1036 O SER A 67 -13.315 1.672 6.554 1.00 0.00 O ATOM 1037 CB SER A 67 -13.043 2.208 9.636 1.00 0.00 C ATOM 1038 OG SER A 67 -13.516 3.547 9.713 1.00 0.00 O ATOM 0 H SER A 67 -12.521 -0.141 8.734 1.00 0.00 H new ATOM 0 HA SER A 67 -15.004 1.389 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.938 1.789 10.637 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.055 2.185 9.175 1.00 0.00 H new ATOM 0 HG SER A 67 -13.221 3.950 10.556 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.163 2.742 7.190 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.419 3.376 5.885 1.00 0.00 C ATOM 1046 C PRO A 68 -14.511 4.591 5.681 1.00 0.00 C ATOM 1047 O PRO A 68 -14.887 5.711 5.965 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.887 3.803 5.977 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.217 3.912 7.485 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.160 3.075 8.229 1.00 0.00 C ATOM 0 HA PRO A 68 -15.221 2.711 5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.046 4.757 5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.535 3.074 5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.190 4.951 7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.221 3.539 7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.710 3.638 9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.598 2.176 8.664 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.322 4.383 5.181 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.404 5.534 4.952 1.00 0.00 C ATOM 1060 C GLY A 69 -11.466 5.694 6.147 1.00 0.00 C ATOM 1061 O GLY A 69 -11.233 6.787 6.624 1.00 0.00 O ATOM 0 H GLY A 69 -12.949 3.470 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.825 5.374 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.981 6.447 4.806 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.921 4.614 6.633 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.994 4.708 7.794 1.00 0.00 C ATOM 1067 C GLN A 70 -9.171 3.423 7.887 1.00 0.00 C ATOM 1068 O GLN A 70 -9.640 2.406 8.358 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.799 4.894 9.082 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.869 4.764 10.290 1.00 0.00 C ATOM 1071 CD GLN A 70 -8.792 5.850 10.228 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -8.052 5.935 9.268 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -8.671 6.690 11.220 1.00 0.00 N ATOM 0 H GLN A 70 -11.077 3.671 6.277 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.328 5.561 7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.280 5.872 9.084 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.592 4.148 9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.441 4.857 11.213 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.405 3.778 10.300 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.292 6.620 12.026 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.956 7.417 11.189 1.00 0.00 H new ATOM 1082 N SER A 71 -7.947 3.459 7.439 1.00 0.00 N ATOM 1083 CA SER A 71 -7.097 2.238 7.500 1.00 0.00 C ATOM 1084 C SER A 71 -5.959 2.458 8.509 1.00 0.00 C ATOM 1085 O SER A 71 -6.159 2.419 9.707 1.00 0.00 O ATOM 1086 CB SER A 71 -6.498 1.975 6.126 1.00 0.00 C ATOM 1087 OG SER A 71 -6.112 3.217 5.548 1.00 0.00 O ATOM 0 H SER A 71 -7.499 4.281 7.034 1.00 0.00 H new ATOM 0 HA SER A 71 -7.704 1.387 7.809 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.635 1.314 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.224 1.471 5.488 1.00 0.00 H new ATOM 0 HG SER A 71 -5.189 3.154 5.224 1.00 0.00 H new ATOM 1093 N THR A 72 -4.767 2.702 8.022 1.00 0.00 N ATOM 1094 CA THR A 72 -3.605 2.943 8.918 1.00 0.00 C ATOM 1095 C THR A 72 -2.525 3.647 8.096 1.00 0.00 C ATOM 1096 O THR A 72 -2.037 3.115 7.119 1.00 0.00 O ATOM 1097 CB THR A 72 -3.073 1.609 9.447 1.00 0.00 C ATOM 1098 OG1 THR A 72 -2.013 1.852 10.363 1.00 0.00 O ATOM 1099 CG2 THR A 72 -2.559 0.764 8.282 1.00 0.00 C ATOM 0 H THR A 72 -4.552 2.744 7.026 1.00 0.00 H new ATOM 0 HA THR A 72 -3.897 3.557 9.770 1.00 0.00 H new ATOM 0 HB THR A 72 -3.876 1.074 9.954 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.673 0.998 10.704 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.181 -0.186 8.660 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.373 0.577 7.581 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.757 1.297 7.772 1.00 0.00 H new ATOM 1107 N SER A 73 -2.160 4.842 8.460 1.00 0.00 N ATOM 1108 CA SER A 73 -1.129 5.568 7.667 1.00 0.00 C ATOM 1109 C SER A 73 0.260 5.045 8.019 1.00 0.00 C ATOM 1110 O SER A 73 0.722 5.167 9.136 1.00 0.00 O ATOM 1111 CB SER A 73 -1.208 7.064 7.974 1.00 0.00 C ATOM 1112 OG SER A 73 -0.008 7.695 7.546 1.00 0.00 O ATOM 0 H SER A 73 -2.527 5.346 9.267 1.00 0.00 H new ATOM 0 HA SER A 73 -1.313 5.405 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.066 7.506 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.354 7.221 9.043 1.00 0.00 H new ATOM 0 HG SER A 73 -0.056 8.654 7.740 1.00 0.00 H new ATOM 1118 N THR A 74 0.929 4.465 7.063 1.00 0.00 N ATOM 1119 CA THR A 74 2.291 3.931 7.319 1.00 0.00 C ATOM 1120 C THR A 74 3.323 4.976 6.901 1.00 0.00 C ATOM 1121 O THR A 74 3.570 5.186 5.730 1.00 0.00 O ATOM 1122 CB THR A 74 2.498 2.651 6.503 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.252 1.988 6.344 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.478 1.732 7.233 1.00 0.00 C ATOM 0 H THR A 74 0.587 4.338 6.110 1.00 0.00 H new ATOM 0 HA THR A 74 2.406 3.705 8.379 1.00 0.00 H new ATOM 0 HB THR A 74 2.903 2.904 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.990 2.005 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.625 0.822 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.433 2.242 7.355 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.075 1.476 8.213 1.00 0.00 H new ATOM 1132 N THR A 75 3.927 5.636 7.848 1.00 0.00 N ATOM 1133 CA THR A 75 4.941 6.666 7.504 1.00 0.00 C ATOM 1134 C THR A 75 6.256 5.970 7.159 1.00 0.00 C ATOM 1135 O THR A 75 7.068 5.694 8.020 1.00 0.00 O ATOM 1136 CB THR A 75 5.151 7.598 8.700 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.898 8.133 9.105 1.00 0.00 O ATOM 1138 CG2 THR A 75 6.091 8.738 8.306 1.00 0.00 C ATOM 0 H THR A 75 3.761 5.506 8.846 1.00 0.00 H new ATOM 0 HA THR A 75 4.599 7.252 6.651 1.00 0.00 H new ATOM 0 HB THR A 75 5.593 7.037 9.524 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.029 8.729 9.872 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.238 9.400 9.160 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.052 8.327 7.996 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.654 9.301 7.482 1.00 0.00 H new ATOM 1146 N PHE A 76 6.467 5.684 5.903 1.00 0.00 N ATOM 1147 CA PHE A 76 7.726 5.006 5.492 1.00 0.00 C ATOM 1148 C PHE A 76 8.900 5.644 6.240 1.00 0.00 C ATOM 1149 O PHE A 76 8.777 6.734 6.762 1.00 0.00 O ATOM 1150 CB PHE A 76 7.912 5.162 3.980 1.00 0.00 C ATOM 1151 CG PHE A 76 7.154 4.067 3.256 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.771 3.909 3.450 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.837 3.206 2.389 1.00 0.00 C ATOM 1154 CE1 PHE A 76 5.083 2.893 2.774 1.00 0.00 C ATOM 1155 CE2 PHE A 76 7.147 2.193 1.715 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.771 2.038 1.909 1.00 0.00 C ATOM 0 H PHE A 76 5.819 5.892 5.143 1.00 0.00 H new ATOM 0 HA PHE A 76 7.680 3.944 5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.553 6.140 3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.971 5.113 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.240 4.570 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.900 3.324 2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.020 2.770 2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.676 1.531 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.239 1.255 1.389 1.00 0.00 H new ATOM 1166 N PRO A 77 9.999 4.939 6.287 1.00 0.00 N ATOM 1167 CA PRO A 77 11.207 5.408 6.988 1.00 0.00 C ATOM 1168 C PRO A 77 11.928 6.491 6.183 1.00 0.00 C ATOM 1169 O PRO A 77 11.755 6.616 4.987 1.00 0.00 O ATOM 1170 CB PRO A 77 12.063 4.146 7.112 1.00 0.00 C ATOM 1171 CG PRO A 77 11.571 3.174 6.014 1.00 0.00 C ATOM 1172 CD PRO A 77 10.143 3.618 5.643 1.00 0.00 C ATOM 0 HA PRO A 77 10.986 5.864 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.120 4.379 6.979 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.957 3.700 8.101 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.226 3.209 5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.576 2.146 6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.014 3.685 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.398 2.912 6.010 1.00 0.00 H new ATOM 1180 N ALA A 78 12.739 7.275 6.842 1.00 0.00 N ATOM 1181 CA ALA A 78 13.480 8.358 6.135 1.00 0.00 C ATOM 1182 C ALA A 78 14.522 7.742 5.199 1.00 0.00 C ATOM 1183 O ALA A 78 15.176 8.433 4.444 1.00 0.00 O ATOM 1184 CB ALA A 78 14.182 9.245 7.166 1.00 0.00 C ATOM 0 H ALA A 78 12.920 7.211 7.844 1.00 0.00 H new ATOM 0 HA ALA A 78 12.781 8.956 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.725 10.039 6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.440 9.685 7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 78 14.881 8.644 7.747 1.00 0.00 H new ATOM 1190 N ASP A 79 14.683 6.448 5.241 1.00 0.00 N ATOM 1191 CA ASP A 79 15.682 5.794 4.353 1.00 0.00 C ATOM 1192 C ASP A 79 14.967 5.205 3.136 1.00 0.00 C ATOM 1193 O ASP A 79 15.166 5.639 2.019 1.00 0.00 O ATOM 1194 CB ASP A 79 16.390 4.677 5.121 1.00 0.00 C ATOM 1195 CG ASP A 79 17.822 5.107 5.447 1.00 0.00 C ATOM 1196 OD1 ASP A 79 18.390 5.847 4.661 1.00 0.00 O ATOM 1197 OD2 ASP A 79 18.326 4.689 6.476 1.00 0.00 O ATOM 0 H ASP A 79 14.165 5.816 5.852 1.00 0.00 H new ATOM 0 HA ASP A 79 16.417 6.529 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.848 4.454 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.400 3.763 4.527 1.00 0.00 H new ATOM 1202 N ALA A 80 14.133 4.223 3.344 1.00 0.00 N ATOM 1203 CA ALA A 80 13.402 3.608 2.200 1.00 0.00 C ATOM 1204 C ALA A 80 14.412 3.002 1.216 1.00 0.00 C ATOM 1205 O ALA A 80 15.385 3.638 0.864 1.00 0.00 O ATOM 1206 CB ALA A 80 12.578 4.681 1.487 1.00 0.00 C ATOM 0 H ALA A 80 13.926 3.820 4.258 1.00 0.00 H new ATOM 0 HA ALA A 80 12.739 2.826 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.043 4.232 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.862 5.114 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.241 5.463 1.117 1.00 0.00 H new ATOM 1212 N PRO A 81 14.153 1.788 0.797 1.00 0.00 N ATOM 1213 CA PRO A 81 15.030 1.077 -0.147 1.00 0.00 C ATOM 1214 C PRO A 81 14.790 1.577 -1.574 1.00 0.00 C ATOM 1215 O PRO A 81 13.845 1.181 -2.228 1.00 0.00 O ATOM 1216 CB PRO A 81 14.604 -0.386 -0.003 1.00 0.00 C ATOM 1217 CG PRO A 81 13.164 -0.366 0.563 1.00 0.00 C ATOM 1218 CD PRO A 81 12.970 1.012 1.223 1.00 0.00 C ATOM 0 HA PRO A 81 16.090 1.227 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.636 -0.897 -0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.277 -0.923 0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.433 -0.522 -0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.022 -1.167 1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.044 1.484 0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.918 0.930 2.309 1.00 0.00 H new ATOM 1226 N ALA A 82 15.635 2.448 -2.058 1.00 0.00 N ATOM 1227 CA ALA A 82 15.458 2.978 -3.440 1.00 0.00 C ATOM 1228 C ALA A 82 15.050 1.842 -4.379 1.00 0.00 C ATOM 1229 O ALA A 82 15.781 0.891 -4.573 1.00 0.00 O ATOM 1230 CB ALA A 82 16.774 3.588 -3.925 1.00 0.00 C ATOM 0 H ALA A 82 16.442 2.816 -1.554 1.00 0.00 H new ATOM 0 HA ALA A 82 14.680 3.742 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.645 3.976 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.066 4.400 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.551 2.823 -3.926 1.00 0.00 H new ATOM 1236 N GLY A 83 13.887 1.933 -4.962 1.00 0.00 N ATOM 1237 CA GLY A 83 13.428 0.859 -5.887 1.00 0.00 C ATOM 1238 C GLY A 83 11.902 0.871 -5.960 1.00 0.00 C ATOM 1239 O GLY A 83 11.267 1.873 -5.698 1.00 0.00 O ATOM 0 H GLY A 83 13.233 2.706 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.852 1.013 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.779 -0.112 -5.537 1.00 0.00 H new ATOM 1243 N GLU A 84 11.306 -0.234 -6.312 1.00 0.00 N ATOM 1244 CA GLU A 84 9.820 -0.280 -6.399 1.00 0.00 C ATOM 1245 C GLU A 84 9.287 -1.372 -5.468 1.00 0.00 C ATOM 1246 O GLU A 84 9.693 -2.515 -5.540 1.00 0.00 O ATOM 1247 CB GLU A 84 9.403 -0.585 -7.839 1.00 0.00 C ATOM 1248 CG GLU A 84 9.022 0.717 -8.546 1.00 0.00 C ATOM 1249 CD GLU A 84 9.656 0.746 -9.938 1.00 0.00 C ATOM 1250 OE1 GLU A 84 10.818 1.106 -10.030 1.00 0.00 O ATOM 1251 OE2 GLU A 84 8.969 0.408 -10.888 1.00 0.00 O ATOM 0 H GLU A 84 11.783 -1.106 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 84 9.408 0.683 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.220 -1.074 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.560 -1.276 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.938 0.796 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.361 1.573 -7.962 1.00 0.00 H new ATOM 1258 N TYR A 85 8.379 -1.029 -4.595 1.00 0.00 N ATOM 1259 CA TYR A 85 7.820 -2.046 -3.662 1.00 0.00 C ATOM 1260 C TYR A 85 6.555 -2.642 -4.278 1.00 0.00 C ATOM 1261 O TYR A 85 6.302 -2.490 -5.457 1.00 0.00 O ATOM 1262 CB TYR A 85 7.482 -1.379 -2.327 1.00 0.00 C ATOM 1263 CG TYR A 85 8.569 -0.390 -1.970 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.880 -0.601 -2.414 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.264 0.737 -1.198 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.887 0.316 -2.085 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.271 1.654 -0.869 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.582 1.443 -1.313 1.00 0.00 C ATOM 1269 OH TYR A 85 11.574 2.348 -0.990 1.00 0.00 O ATOM 0 H TYR A 85 8.001 -0.088 -4.488 1.00 0.00 H new ATOM 0 HA TYR A 85 8.551 -2.837 -3.491 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.520 -0.870 -2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.389 -2.132 -1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.115 -1.470 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.253 0.900 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.898 0.153 -2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.036 2.523 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 85 12.388 2.133 -1.491 1.00 0.00 H new ATOM 1279 N THR A 86 5.753 -3.320 -3.503 1.00 0.00 N ATOM 1280 CA THR A 86 4.514 -3.911 -4.079 1.00 0.00 C ATOM 1281 C THR A 86 3.577 -4.378 -2.967 1.00 0.00 C ATOM 1282 O THR A 86 3.850 -5.335 -2.269 1.00 0.00 O ATOM 1283 CB THR A 86 4.879 -5.106 -4.963 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.661 -4.659 -6.061 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.601 -5.769 -5.479 1.00 0.00 C ATOM 0 H THR A 86 5.900 -3.489 -2.508 1.00 0.00 H new ATOM 0 HA THR A 86 4.009 -3.149 -4.673 1.00 0.00 H new ATOM 0 HB THR A 86 5.451 -5.829 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.627 -3.681 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.861 -6.620 -6.109 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.003 -6.112 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.027 -5.049 -6.062 1.00 0.00 H new ATOM 1293 N PHE A 87 2.461 -3.723 -2.814 1.00 0.00 N ATOM 1294 CA PHE A 87 1.489 -4.138 -1.772 1.00 0.00 C ATOM 1295 C PHE A 87 0.239 -4.684 -2.456 1.00 0.00 C ATOM 1296 O PHE A 87 -0.035 -4.378 -3.600 1.00 0.00 O ATOM 1297 CB PHE A 87 1.115 -2.949 -0.886 1.00 0.00 C ATOM 1298 CG PHE A 87 1.225 -1.682 -1.686 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.441 -0.996 -1.733 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.118 -1.201 -2.388 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.553 0.175 -2.484 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.225 -0.029 -3.139 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.444 0.662 -3.189 1.00 0.00 C ATOM 0 H PHE A 87 2.181 -2.915 -3.370 1.00 0.00 H new ATOM 0 HA PHE A 87 1.939 -4.907 -1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.100 -3.067 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.775 -2.904 -0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.294 -1.372 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.820 -1.735 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.493 0.705 -2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.631 0.345 -3.681 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.528 1.568 -3.770 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.523 -5.492 -1.777 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.746 -6.048 -2.410 1.00 0.00 C ATOM 1315 C TYR A 88 -2.849 -6.201 -1.365 1.00 0.00 C ATOM 1316 O TYR A 88 -2.800 -5.614 -0.302 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.430 -7.410 -3.036 1.00 0.00 C ATOM 1318 CG TYR A 88 -1.051 -8.396 -1.957 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.213 -8.327 -1.357 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.960 -9.384 -1.559 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.565 -9.244 -0.360 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.607 -10.301 -0.562 1.00 0.00 C ATOM 1323 CZ TYR A 88 -0.344 -10.231 0.038 1.00 0.00 C ATOM 1324 OH TYR A 88 0.004 -11.135 1.020 1.00 0.00 O ATOM 0 H TYR A 88 -0.353 -5.790 -0.816 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.087 -5.366 -3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.296 -7.776 -3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.615 -7.310 -3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.916 -7.566 -1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.934 -9.439 -2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.539 -9.190 0.103 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.309 -11.062 -0.256 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.742 -11.751 1.177 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.852 -6.977 -1.666 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.971 -7.160 -0.702 1.00 0.00 C ATOM 1336 C CYS A 89 -5.202 -8.649 -0.453 1.00 0.00 C ATOM 1337 O CYS A 89 -5.344 -9.424 -1.375 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.240 -6.556 -1.296 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.740 -5.113 -0.331 1.00 0.00 S ATOM 0 H CYS A 89 -3.945 -7.494 -2.541 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.722 -6.669 0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.066 -6.269 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -7.039 -7.297 -1.300 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.254 -9.054 0.786 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.490 -10.493 1.085 1.00 0.00 C ATOM 1346 C GLU A 90 -6.899 -10.908 0.628 1.00 0.00 C ATOM 1347 O GLU A 90 -7.057 -11.961 0.043 1.00 0.00 O ATOM 1348 CB GLU A 90 -5.335 -10.745 2.589 1.00 0.00 C ATOM 1349 CG GLU A 90 -5.722 -12.191 2.910 1.00 0.00 C ATOM 1350 CD GLU A 90 -6.632 -12.214 4.140 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -6.570 -11.275 4.916 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -7.375 -13.171 4.285 1.00 0.00 O ATOM 0 H GLU A 90 -5.144 -8.452 1.602 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.755 -11.089 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.306 -10.557 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.966 -10.056 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.233 -12.640 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.827 -12.786 3.095 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.890 -10.083 0.903 1.00 0.00 N ATOM 1360 CA PRO A 91 -9.280 -10.380 0.516 1.00 0.00 C ATOM 1361 C PRO A 91 -9.496 -10.085 -0.972 1.00 0.00 C ATOM 1362 O PRO A 91 -9.967 -10.920 -1.717 1.00 0.00 O ATOM 1363 CB PRO A 91 -10.111 -9.435 1.387 1.00 0.00 C ATOM 1364 CG PRO A 91 -9.171 -8.278 1.796 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.730 -8.793 1.614 1.00 0.00 C ATOM 0 HA PRO A 91 -9.549 -11.427 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.974 -9.059 0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.494 -9.953 2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.349 -7.398 1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.349 -7.982 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.127 -8.092 1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.231 -8.927 2.574 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.153 -8.904 -1.411 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.339 -8.565 -2.850 1.00 0.00 C ATOM 1375 C HIS A 92 -8.072 -8.938 -3.624 1.00 0.00 C ATOM 1376 O HIS A 92 -7.694 -8.277 -4.571 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.608 -7.064 -2.998 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.489 -6.594 -1.873 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -9.974 -5.953 -0.749 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.848 -6.672 -1.678 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.018 -5.684 0.059 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.168 -6.100 -0.461 1.00 0.00 N ATOM 0 H HIS A 92 -8.753 -8.162 -0.837 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.188 -9.121 -3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.667 -6.514 -2.990 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.087 -6.863 -3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.554 -7.111 -2.367 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.931 -5.189 1.015 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.096 -6.015 -0.047 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.411 -9.993 -3.227 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.169 -10.408 -3.941 1.00 0.00 C ATOM 1392 C ARG A 93 -6.515 -10.816 -5.374 1.00 0.00 C ATOM 1393 O ARG A 93 -7.370 -11.649 -5.602 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.523 -11.597 -3.221 1.00 0.00 C ATOM 1395 CG ARG A 93 -6.550 -12.717 -3.040 1.00 0.00 C ATOM 1396 CD ARG A 93 -5.944 -13.826 -2.179 1.00 0.00 C ATOM 1397 NE ARG A 93 -6.096 -15.134 -2.876 1.00 0.00 N ATOM 1398 CZ ARG A 93 -5.818 -15.230 -4.147 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -4.626 -14.919 -4.578 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -6.731 -15.634 -4.988 1.00 0.00 N ATOM 0 H ARG A 93 -7.677 -10.585 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.471 -9.571 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.671 -11.962 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.141 -11.282 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.451 -12.326 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.845 -13.115 -4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.890 -13.621 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.439 -13.859 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.417 -15.953 -2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.913 -14.601 -3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.407 -14.994 -5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.663 -15.875 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.512 -15.709 -5.981 1.00 0.00 H new ATOM 1414 N GLY A 94 -5.857 -10.239 -6.341 1.00 0.00 N ATOM 1415 CA GLY A 94 -6.149 -10.597 -7.757 1.00 0.00 C ATOM 1416 C GLY A 94 -7.204 -9.646 -8.323 1.00 0.00 C ATOM 1417 O GLY A 94 -7.627 -9.777 -9.455 1.00 0.00 O ATOM 0 H GLY A 94 -5.130 -9.535 -6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.237 -10.540 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.504 -11.626 -7.816 1.00 0.00 H new ATOM 1421 N ALA A 95 -7.634 -8.687 -7.549 1.00 0.00 N ATOM 1422 CA ALA A 95 -8.660 -7.733 -8.052 1.00 0.00 C ATOM 1423 C ALA A 95 -7.974 -6.454 -8.528 1.00 0.00 C ATOM 1424 O ALA A 95 -8.514 -5.370 -8.428 1.00 0.00 O ATOM 1425 CB ALA A 95 -9.645 -7.402 -6.929 1.00 0.00 C ATOM 0 H ALA A 95 -7.319 -8.524 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.201 -8.185 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.396 -6.703 -7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.134 -8.316 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.108 -6.950 -6.095 1.00 0.00 H new ATOM 1431 N GLY A 96 -6.787 -6.576 -9.050 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.055 -5.374 -9.543 1.00 0.00 C ATOM 1433 C GLY A 96 -5.700 -4.458 -8.369 1.00 0.00 C ATOM 1434 O GLY A 96 -5.212 -3.361 -8.557 1.00 0.00 O ATOM 0 H GLY A 96 -6.289 -7.460 -9.158 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.147 -5.679 -10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.670 -4.834 -10.263 1.00 0.00 H new ATOM 1438 N MET A 97 -5.935 -4.891 -7.159 1.00 0.00 N ATOM 1439 CA MET A 97 -5.603 -4.030 -5.989 1.00 0.00 C ATOM 1440 C MET A 97 -4.174 -4.324 -5.524 1.00 0.00 C ATOM 1441 O MET A 97 -3.949 -4.781 -4.421 1.00 0.00 O ATOM 1442 CB MET A 97 -6.590 -4.306 -4.848 1.00 0.00 C ATOM 1443 CG MET A 97 -7.786 -3.359 -4.980 1.00 0.00 C ATOM 1444 SD MET A 97 -9.014 -3.726 -3.699 1.00 0.00 S ATOM 1445 CE MET A 97 -10.157 -4.671 -4.731 1.00 0.00 C ATOM 0 H MET A 97 -6.340 -5.799 -6.932 1.00 0.00 H new ATOM 0 HA MET A 97 -5.677 -2.982 -6.279 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.925 -5.343 -4.883 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.101 -4.162 -3.885 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.453 -2.325 -4.890 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.236 -3.464 -5.967 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.021 -4.970 -4.137 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.487 -4.054 -5.567 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.654 -5.560 -5.112 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.206 -4.062 -6.363 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.787 -4.319 -5.980 1.00 0.00 C ATOM 1457 C VAL A 98 -0.904 -3.184 -6.507 1.00 0.00 C ATOM 1458 O VAL A 98 -0.208 -3.333 -7.491 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.329 -5.646 -6.586 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.145 -5.883 -6.248 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.174 -6.784 -6.009 1.00 0.00 C ATOM 0 H VAL A 98 -3.338 -3.680 -7.300 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.705 -4.368 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.450 -5.613 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.470 -6.829 -6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.747 -5.071 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.269 -5.917 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.850 -7.732 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.051 -6.816 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.224 -6.616 -6.250 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.933 -2.047 -5.865 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.102 -0.902 -6.334 1.00 0.00 C ATOM 1473 C GLY A 99 1.376 -1.168 -6.032 1.00 0.00 C ATOM 1474 O GLY A 99 1.763 -2.269 -5.692 1.00 0.00 O ATOM 0 H GLY A 99 -1.497 -1.862 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.242 -0.755 -7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.423 0.016 -5.842 1.00 0.00 H new ATOM 1478 N LYS A 100 2.204 -0.164 -6.155 1.00 0.00 N ATOM 1479 CA LYS A 100 3.658 -0.352 -5.878 1.00 0.00 C ATOM 1480 C LYS A 100 4.302 1.006 -5.586 1.00 0.00 C ATOM 1481 O LYS A 100 4.121 1.958 -6.319 1.00 0.00 O ATOM 1482 CB LYS A 100 4.336 -0.974 -7.101 1.00 0.00 C ATOM 1483 CG LYS A 100 3.739 -2.354 -7.378 1.00 0.00 C ATOM 1484 CD LYS A 100 4.671 -3.137 -8.305 1.00 0.00 C ATOM 1485 CE LYS A 100 4.224 -2.951 -9.756 1.00 0.00 C ATOM 1486 NZ LYS A 100 5.393 -2.546 -10.587 1.00 0.00 N ATOM 0 H LYS A 100 1.935 0.779 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 100 3.778 -1.010 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.203 -0.329 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.409 -1.060 -6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.600 -2.896 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.755 -2.251 -7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.697 -2.791 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.658 -4.195 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.796 -3.878 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.443 -2.193 -9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.090 -2.419 -11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.782 -1.651 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.124 -3.284 -10.541 1.00 0.00 H new ATOM 1500 N ILE A 101 5.060 1.104 -4.527 1.00 0.00 N ATOM 1501 CA ILE A 101 5.718 2.403 -4.205 1.00 0.00 C ATOM 1502 C ILE A 101 7.003 2.528 -5.032 1.00 0.00 C ATOM 1503 O ILE A 101 7.799 1.612 -5.107 1.00 0.00 O ATOM 1504 CB ILE A 101 6.032 2.462 -2.692 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.943 3.279 -1.986 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.398 3.119 -2.438 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.399 3.637 -0.567 1.00 0.00 C ATOM 0 H ILE A 101 5.251 0.344 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 101 5.055 3.233 -4.451 1.00 0.00 H new ATOM 0 HB ILE A 101 6.059 1.444 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.734 4.188 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 101 4.015 2.708 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.594 3.148 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.178 2.541 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.392 4.135 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.621 4.217 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.585 2.723 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.315 4.226 -0.617 1.00 0.00 H new ATOM 1519 N THR A 102 7.214 3.659 -5.644 1.00 0.00 N ATOM 1520 CA THR A 102 8.447 3.851 -6.454 1.00 0.00 C ATOM 1521 C THR A 102 9.289 4.961 -5.825 1.00 0.00 C ATOM 1522 O THR A 102 9.118 6.126 -6.121 1.00 0.00 O ATOM 1523 CB THR A 102 8.065 4.243 -7.884 1.00 0.00 C ATOM 1524 OG1 THR A 102 7.019 3.397 -8.342 1.00 0.00 O ATOM 1525 CG2 THR A 102 9.281 4.096 -8.798 1.00 0.00 C ATOM 0 H THR A 102 6.584 4.460 -5.618 1.00 0.00 H new ATOM 0 HA THR A 102 9.020 2.924 -6.478 1.00 0.00 H new ATOM 0 HB THR A 102 7.727 5.279 -7.899 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.172 3.674 -7.934 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.007 4.375 -9.815 1.00 0.00 H new ATOM 0 HG22 THR A 102 10.082 4.747 -8.446 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.623 3.061 -8.785 1.00 0.00 H new ATOM 1533 N VAL A 103 10.194 4.611 -4.953 1.00 0.00 N ATOM 1534 CA VAL A 103 11.038 5.651 -4.302 1.00 0.00 C ATOM 1535 C VAL A 103 12.399 5.718 -4.999 1.00 0.00 C ATOM 1536 O VAL A 103 13.005 4.708 -5.297 1.00 0.00 O ATOM 1537 CB VAL A 103 11.240 5.297 -2.826 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.558 6.568 -2.036 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.963 4.660 -2.274 1.00 0.00 C ATOM 0 H VAL A 103 10.385 3.652 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 103 10.542 6.618 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 103 12.067 4.593 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.702 6.317 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.468 7.022 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.731 7.272 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.107 4.408 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.135 5.363 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.736 3.754 -2.836 1.00 0.00 H new ATOM 1549 N ALA A 104 12.883 6.900 -5.262 1.00 0.00 N ATOM 1550 CA ALA A 104 14.204 7.030 -5.940 1.00 0.00 C ATOM 1551 C ALA A 104 15.323 6.915 -4.903 1.00 0.00 C ATOM 1552 O ALA A 104 15.082 6.634 -3.746 1.00 0.00 O ATOM 1553 CB ALA A 104 14.287 8.391 -6.634 1.00 0.00 C ATOM 0 H ALA A 104 12.422 7.781 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 104 14.314 6.237 -6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.253 8.488 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.489 8.472 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.178 9.184 -5.894 1.00 0.00 H new ATOM 1559 N GLY A 105 16.545 7.127 -5.307 1.00 0.00 N ATOM 1560 CA GLY A 105 17.678 7.029 -4.343 1.00 0.00 C ATOM 1561 C GLY A 105 18.988 7.365 -5.057 1.00 0.00 C ATOM 1562 O GLY A 105 19.940 6.621 -4.889 1.00 0.00 O ATOM 1563 OXT GLY A 105 19.017 8.362 -5.760 1.00 0.00 O ATOM 0 H GLY A 105 16.809 7.364 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.520 7.714 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.727 6.024 -3.925 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -8.600 -4.444 -0.939 1.00 0.00 CU