USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot -64:sc= 0.75 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.725 K(o=1.5,f=-2.1) USER MOD Set 2.1: A 4 SER OG : rot 121:sc= 0.339 USER MOD Set 2.2: A 71 GLN : amide:sc= -2.09! C(o=-1.8!,f=-1.5!) USER MOD Set 3.1: A 51 HIS : no HD1:sc= -4.72! C(o=-7!,f=-7.9!) USER MOD Set 3.2: A 54 HIS : no HD1:sc= -2.3 K(o=-7,f=-8) USER MOD Set 4.1: A 10 THR OG1 : rot 60:sc= -1.4 USER MOD Set 4.2: A 81 MET CE :methyl 159:sc= -6.19! (180deg=-4.76!) USER MOD Set 5.1: A 6 SER OG : rot 132:sc= -2.57 USER MOD Set 5.2: A 57 MET CE :methyl -125:sc= -5.21! (180deg=-7.89!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -1.11 (180deg=-1.12) USER MOD Single : A 7 HIS : no HE2:sc= -2.45! K(o=-2.5!,f=-1.4) USER MOD Single : A 12 SER OG : rot -63:sc= 1.1 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.92! C(o=-4.9!,f=-8!) USER MOD Single : A 21 CYS SG : rot -127:sc= 1.25 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00762) USER MOD Single : A 23 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.016) USER MOD Single : A 26 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-5.6) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.9 USER MOD Single : A 45 ASN : amide:sc= -6.23! C(o=-6.2!,f=-9.9!) USER MOD Single : A 46 CYS SG : rot 180:sc= -2.87! USER MOD Single : A 60 ASN : amide:sc= -1.49 K(o=-1.5,f=-6.9!) USER MOD Single : A 61 SER OG : rot -74:sc= -5.96! USER MOD Single : A 66 SER OG : rot 62:sc= 0.871 USER MOD Single : A 69 HIS : no HD1:sc= -0.652 K(o=-0.65,f=0.019) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.23 X(o=-3.2,f=-3.7!) USER MOD Single : A 79 GLN : amide:sc= -2.09 K(o=-2.1,f=-5.1!) USER MOD Single : A 83 ASN : amide:sc= -0.0549 X(o=-0.055,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.432 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -9:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.358 15.253 -5.733 1.00 0.00 N ATOM 2 CA MET A 1 6.843 14.310 -4.703 1.00 0.00 C ATOM 3 C MET A 1 5.406 14.640 -4.314 1.00 0.00 C ATOM 4 O MET A 1 5.146 15.464 -3.439 1.00 0.00 O ATOM 5 CB MET A 1 7.773 14.348 -3.488 1.00 0.00 C ATOM 6 CG MET A 1 7.774 15.675 -2.744 1.00 0.00 C ATOM 7 SD MET A 1 9.310 16.596 -2.961 1.00 0.00 S ATOM 8 CE MET A 1 8.679 18.184 -3.500 1.00 0.00 C ATOM 0 H1 MET A 1 8.363 15.055 -5.914 1.00 0.00 H new ATOM 0 H2 MET A 1 6.818 15.134 -6.614 1.00 0.00 H new ATOM 0 H3 MET A 1 7.254 16.230 -5.392 1.00 0.00 H new ATOM 0 HA MET A 1 6.830 13.301 -5.115 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.482 13.557 -2.797 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.789 14.127 -3.815 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.939 16.283 -3.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.613 15.491 -1.682 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.511 18.866 -3.676 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.113 18.056 -4.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.028 18.597 -2.730 1.00 0.00 H new ATOM 17 N PHE A 2 4.479 13.966 -4.976 1.00 0.00 N ATOM 18 CA PHE A 2 3.052 14.144 -4.724 1.00 0.00 C ATOM 19 C PHE A 2 2.572 13.036 -3.795 1.00 0.00 C ATOM 20 O PHE A 2 3.320 12.095 -3.529 1.00 0.00 O ATOM 21 CB PHE A 2 2.259 14.130 -6.040 1.00 0.00 C ATOM 22 CG PHE A 2 3.081 14.461 -7.256 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.591 15.737 -7.436 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.337 13.499 -8.220 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.341 16.047 -8.554 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.086 13.803 -9.338 1.00 0.00 C ATOM 27 CZ PHE A 2 4.589 15.079 -9.507 1.00 0.00 C ATOM 0 H PHE A 2 4.690 13.281 -5.702 1.00 0.00 H new ATOM 0 HA PHE A 2 2.887 15.112 -4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.814 13.144 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.438 14.843 -5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.400 16.498 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.946 12.500 -8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.733 17.045 -8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.279 13.044 -10.081 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.175 15.319 -10.382 1.00 0.00 H new ATOM 37 N ARG A 3 1.343 13.128 -3.290 1.00 0.00 N ATOM 38 CA ARG A 3 0.857 12.085 -2.391 1.00 0.00 C ATOM 39 C ARG A 3 -0.657 11.873 -2.487 1.00 0.00 C ATOM 40 O ARG A 3 -1.444 12.799 -2.295 1.00 0.00 O ATOM 41 CB ARG A 3 1.259 12.378 -0.938 1.00 0.00 C ATOM 42 CG ARG A 3 2.059 11.249 -0.309 1.00 0.00 C ATOM 43 CD ARG A 3 3.535 11.596 -0.190 1.00 0.00 C ATOM 44 NE ARG A 3 4.010 11.499 1.189 1.00 0.00 N ATOM 45 CZ ARG A 3 3.815 12.444 2.107 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.154 13.553 1.801 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.283 12.277 3.337 1.00 0.00 N ATOM 0 H ARG A 3 0.686 13.885 -3.479 1.00 0.00 H new ATOM 0 HA ARG A 3 1.333 11.159 -2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.847 13.295 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.361 12.555 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.658 11.027 0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.946 10.346 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.117 10.926 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.701 12.608 -0.560 1.00 0.00 H new ATOM 0 HE ARG A 3 4.520 10.660 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.791 13.686 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.009 14.272 2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.791 11.426 3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.135 13.000 4.042 1.00 0.00 H new ATOM 61 N SER A 4 -1.041 10.623 -2.756 1.00 0.00 N ATOM 62 CA SER A 4 -2.440 10.219 -2.857 1.00 0.00 C ATOM 63 C SER A 4 -2.751 9.239 -1.735 1.00 0.00 C ATOM 64 O SER A 4 -1.835 8.672 -1.138 1.00 0.00 O ATOM 65 CB SER A 4 -2.710 9.559 -4.216 1.00 0.00 C ATOM 66 OG SER A 4 -3.681 8.531 -4.106 1.00 0.00 O ATOM 0 H SER A 4 -0.383 9.859 -2.911 1.00 0.00 H new ATOM 0 HA SER A 4 -3.078 11.099 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.053 10.311 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.783 9.145 -4.612 1.00 0.00 H new ATOM 0 HG SER A 4 -4.442 8.736 -4.688 1.00 0.00 H new ATOM 72 N THR A 5 -4.028 9.028 -1.440 1.00 0.00 N ATOM 73 CA THR A 5 -4.387 8.100 -0.376 1.00 0.00 C ATOM 74 C THR A 5 -5.686 7.353 -0.663 1.00 0.00 C ATOM 75 O THR A 5 -6.725 7.964 -0.914 1.00 0.00 O ATOM 76 CB THR A 5 -4.494 8.831 0.970 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.651 9.648 1.002 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.304 9.717 1.303 1.00 0.00 C ATOM 0 H THR A 5 -4.815 9.475 -1.910 1.00 0.00 H new ATOM 0 HA THR A 5 -3.587 7.361 -0.326 1.00 0.00 H new ATOM 0 HB THR A 5 -4.536 8.033 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.574 10.352 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.465 10.194 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.399 9.111 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.194 10.483 0.535 1.00 0.00 H new ATOM 86 N SER A 6 -5.619 6.023 -0.600 1.00 0.00 N ATOM 87 CA SER A 6 -6.794 5.184 -0.829 1.00 0.00 C ATOM 88 C SER A 6 -7.274 4.556 0.485 1.00 0.00 C ATOM 89 O SER A 6 -6.472 4.029 1.256 1.00 0.00 O ATOM 90 CB SER A 6 -6.475 4.085 -1.844 1.00 0.00 C ATOM 91 OG SER A 6 -7.641 3.360 -2.194 1.00 0.00 O ATOM 0 H SER A 6 -4.765 5.505 -0.393 1.00 0.00 H new ATOM 0 HA SER A 6 -7.589 5.814 -1.227 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.036 4.528 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.732 3.405 -1.427 1.00 0.00 H new ATOM 0 HG SER A 6 -7.696 3.280 -3.169 1.00 0.00 H new ATOM 97 N HIS A 7 -8.581 4.623 0.735 1.00 0.00 N ATOM 98 CA HIS A 7 -9.161 4.063 1.963 1.00 0.00 C ATOM 99 C HIS A 7 -10.145 2.932 1.648 1.00 0.00 C ATOM 100 O HIS A 7 -11.014 3.078 0.789 1.00 0.00 O ATOM 101 CB HIS A 7 -9.864 5.160 2.769 1.00 0.00 C ATOM 102 CG HIS A 7 -10.449 4.682 4.064 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.247 5.330 5.265 1.00 0.00 N ATOM 104 CD2 HIS A 7 -11.237 3.615 4.344 1.00 0.00 C ATOM 105 CE1 HIS A 7 -10.882 4.683 6.226 1.00 0.00 C ATOM 106 NE2 HIS A 7 -11.491 3.640 5.693 1.00 0.00 N ATOM 0 H HIS A 7 -9.259 5.057 0.109 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.346 3.649 2.557 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.151 5.958 2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.658 5.592 2.160 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -9.693 6.177 5.391 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.598 2.882 3.638 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.900 4.960 7.270 1.00 0.00 H new ATOM 115 N VAL A 8 -9.997 1.803 2.347 1.00 0.00 N ATOM 116 CA VAL A 8 -10.871 0.647 2.140 1.00 0.00 C ATOM 117 C VAL A 8 -11.220 -0.023 3.465 1.00 0.00 C ATOM 118 O VAL A 8 -10.446 0.048 4.420 1.00 0.00 O ATOM 119 CB VAL A 8 -10.211 -0.402 1.218 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.262 -1.293 0.571 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.348 0.269 0.159 1.00 0.00 C ATOM 0 H VAL A 8 -9.281 1.666 3.060 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.779 1.022 1.668 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.565 -1.029 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.773 -2.023 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.826 -1.813 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.941 -0.682 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.895 -0.492 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.966 0.929 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.564 0.851 0.644 1.00 0.00 H new ATOM 131 N ARG A 9 -12.369 -0.699 3.524 1.00 0.00 N ATOM 132 CA ARG A 9 -12.753 -1.396 4.754 1.00 0.00 C ATOM 133 C ARG A 9 -12.435 -2.887 4.634 1.00 0.00 C ATOM 134 O ARG A 9 -13.129 -3.626 3.936 1.00 0.00 O ATOM 135 CB ARG A 9 -14.244 -1.201 5.067 1.00 0.00 C ATOM 136 CG ARG A 9 -14.518 -0.041 6.011 1.00 0.00 C ATOM 137 CD ARG A 9 -14.260 1.298 5.339 1.00 0.00 C ATOM 138 NE ARG A 9 -15.124 2.350 5.870 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.364 3.499 5.241 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.806 3.747 4.061 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.164 4.401 5.792 1.00 0.00 N ATOM 0 H ARG A 9 -13.035 -0.779 2.756 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.178 -0.968 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.784 -1.036 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.638 -2.118 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.552 -0.085 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.887 -0.133 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.217 1.580 5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.422 1.203 4.265 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.569 2.195 6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.190 3.056 3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.993 4.629 3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.595 4.215 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.348 5.281 5.311 1.00 0.00 H new ATOM 155 N THR A 10 -11.375 -3.317 5.319 1.00 0.00 N ATOM 156 CA THR A 10 -10.946 -4.716 5.294 1.00 0.00 C ATOM 157 C THR A 10 -10.714 -5.259 6.709 1.00 0.00 C ATOM 158 O THR A 10 -10.444 -4.496 7.628 1.00 0.00 O ATOM 159 CB THR A 10 -9.682 -4.862 4.449 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.825 -5.915 3.513 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.447 -5.141 5.266 1.00 0.00 C ATOM 0 H THR A 10 -10.795 -2.713 5.901 1.00 0.00 H new ATOM 0 HA THR A 10 -11.745 -5.306 4.844 1.00 0.00 H new ATOM 0 HB THR A 10 -9.556 -3.902 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.583 -5.726 2.921 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.586 -5.233 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.281 -4.322 5.966 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.580 -6.070 5.820 1.00 0.00 H new ATOM 169 N GLU A 11 -10.786 -6.578 6.874 1.00 0.00 N ATOM 170 CA GLU A 11 -10.550 -7.192 8.182 1.00 0.00 C ATOM 171 C GLU A 11 -9.180 -7.885 8.240 1.00 0.00 C ATOM 172 O GLU A 11 -8.694 -8.395 7.230 1.00 0.00 O ATOM 173 CB GLU A 11 -11.659 -8.193 8.501 1.00 0.00 C ATOM 174 CG GLU A 11 -12.373 -7.890 9.804 1.00 0.00 C ATOM 175 CD GLU A 11 -12.169 -8.970 10.849 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.154 -8.910 11.576 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.024 -9.876 10.941 1.00 0.00 O ATOM 0 H GLU A 11 -11.004 -7.238 6.127 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.555 -6.398 8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.384 -8.195 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.233 -9.195 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.015 -6.938 10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.439 -7.774 9.611 1.00 0.00 H new ATOM 184 N SER A 12 -8.562 -7.899 9.429 1.00 0.00 N ATOM 185 CA SER A 12 -7.254 -8.528 9.615 1.00 0.00 C ATOM 186 C SER A 12 -6.215 -7.924 8.675 1.00 0.00 C ATOM 187 O SER A 12 -5.242 -8.576 8.293 1.00 0.00 O ATOM 188 CB SER A 12 -7.357 -10.035 9.404 1.00 0.00 C ATOM 189 OG SER A 12 -6.074 -10.633 9.331 1.00 0.00 O ATOM 0 H SER A 12 -8.950 -7.481 10.275 1.00 0.00 H new ATOM 0 HA SER A 12 -6.929 -8.340 10.638 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.923 -10.481 10.222 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.909 -10.239 8.486 1.00 0.00 H new ATOM 0 HG SER A 12 -5.591 -10.277 8.556 1.00 0.00 H new ATOM 195 N ALA A 13 -6.441 -6.671 8.311 1.00 0.00 N ATOM 196 CA ALA A 13 -5.539 -5.943 7.409 1.00 0.00 C ATOM 197 C ALA A 13 -4.082 -5.973 7.859 1.00 0.00 C ATOM 198 O ALA A 13 -3.182 -6.237 7.061 1.00 0.00 O ATOM 199 CB ALA A 13 -5.979 -4.500 7.293 1.00 0.00 C ATOM 0 H ALA A 13 -7.245 -6.127 8.625 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.597 -6.450 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.305 -3.967 6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.993 -4.460 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.956 -4.032 8.277 1.00 0.00 H new ATOM 205 N ALA A 14 -3.850 -5.642 9.123 1.00 0.00 N ATOM 206 CA ALA A 14 -2.488 -5.568 9.671 1.00 0.00 C ATOM 207 C ALA A 14 -1.581 -6.721 9.232 1.00 0.00 C ATOM 208 O ALA A 14 -0.359 -6.575 9.216 1.00 0.00 O ATOM 209 CB ALA A 14 -2.553 -5.481 11.184 1.00 0.00 C ATOM 0 H ALA A 14 -4.584 -5.419 9.795 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.032 -4.666 9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.543 -5.426 11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.109 -4.589 11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.054 -6.365 11.578 1.00 0.00 H new ATOM 215 N ARG A 15 -2.163 -7.861 8.887 1.00 0.00 N ATOM 216 CA ARG A 15 -1.375 -9.021 8.467 1.00 0.00 C ATOM 217 C ARG A 15 -0.952 -8.939 7.005 1.00 0.00 C ATOM 218 O ARG A 15 0.147 -9.360 6.645 1.00 0.00 O ATOM 219 CB ARG A 15 -2.183 -10.298 8.679 1.00 0.00 C ATOM 220 CG ARG A 15 -1.361 -11.573 8.855 1.00 0.00 C ATOM 221 CD ARG A 15 0.071 -11.462 8.332 1.00 0.00 C ATOM 222 NE ARG A 15 0.948 -12.455 8.953 1.00 0.00 N ATOM 223 CZ ARG A 15 1.614 -12.252 10.088 1.00 0.00 C ATOM 224 NH1 ARG A 15 1.502 -11.101 10.740 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.391 -13.210 10.577 1.00 0.00 N ATOM 0 H ARG A 15 -3.172 -8.012 8.888 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.472 -9.032 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.812 -10.167 9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.850 -10.431 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.332 -11.832 9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.863 -12.392 8.340 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.076 -11.597 7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.455 -10.461 8.530 1.00 0.00 H new ATOM 0 HE ARG A 15 1.056 -13.357 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.902 -10.363 10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.016 -10.955 11.609 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.477 -14.099 10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.903 -13.058 11.446 1.00 0.00 H new ATOM 239 N TYR A 16 -1.826 -8.412 6.163 1.00 0.00 N ATOM 240 CA TYR A 16 -1.522 -8.308 4.740 1.00 0.00 C ATOM 241 C TYR A 16 -0.410 -7.294 4.499 1.00 0.00 C ATOM 242 O TYR A 16 0.291 -7.375 3.497 1.00 0.00 O ATOM 243 CB TYR A 16 -2.768 -7.947 3.921 1.00 0.00 C ATOM 244 CG TYR A 16 -3.933 -8.932 4.024 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.773 -10.254 4.464 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.216 -8.523 3.676 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.853 -11.112 4.551 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.294 -9.380 3.761 1.00 0.00 C ATOM 249 CZ TYR A 16 -6.109 -10.671 4.199 1.00 0.00 C ATOM 250 OH TYR A 16 -7.184 -11.526 4.286 1.00 0.00 O ATOM 0 H TYR A 16 -2.742 -8.053 6.433 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.179 -9.287 4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.117 -6.964 4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.480 -7.860 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.790 -10.607 4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.372 -7.511 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.712 -12.126 4.894 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.280 -9.038 3.484 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.997 -11.059 4.002 1.00 0.00 H new ATOM 260 N VAL A 17 -0.231 -6.357 5.428 1.00 0.00 N ATOM 261 CA VAL A 17 0.831 -5.362 5.299 1.00 0.00 C ATOM 262 C VAL A 17 2.159 -5.955 5.766 1.00 0.00 C ATOM 263 O VAL A 17 3.192 -5.781 5.120 1.00 0.00 O ATOM 264 CB VAL A 17 0.537 -4.077 6.117 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.807 -3.273 6.368 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.477 -3.194 5.416 1.00 0.00 C ATOM 0 H VAL A 17 -0.801 -6.266 6.269 1.00 0.00 H new ATOM 0 HA VAL A 17 0.885 -5.087 4.246 1.00 0.00 H new ATOM 0 HB VAL A 17 0.127 -4.403 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.564 -2.380 6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.519 -3.882 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.248 -2.982 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.660 -2.303 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.091 -2.901 4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.410 -3.743 5.288 1.00 0.00 H new ATOM 276 N ASN A 18 2.121 -6.641 6.905 1.00 0.00 N ATOM 277 CA ASN A 18 3.321 -7.244 7.478 1.00 0.00 C ATOM 278 C ASN A 18 3.815 -8.439 6.660 1.00 0.00 C ATOM 279 O ASN A 18 5.011 -8.730 6.644 1.00 0.00 O ATOM 280 CB ASN A 18 3.053 -7.683 8.919 1.00 0.00 C ATOM 281 CG ASN A 18 2.308 -6.632 9.718 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.103 -5.512 9.251 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.898 -6.990 10.929 1.00 0.00 N ATOM 0 H ASN A 18 1.272 -6.793 7.450 1.00 0.00 H new ATOM 0 HA ASN A 18 4.103 -6.485 7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.475 -8.607 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.001 -7.904 9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.391 -6.325 11.513 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.090 -7.930 11.275 1.00 0.00 H new ATOM 290 N ARG A 19 2.899 -9.139 5.996 1.00 0.00 N ATOM 291 CA ARG A 19 3.265 -10.305 5.204 1.00 0.00 C ATOM 292 C ARG A 19 3.985 -9.919 3.915 1.00 0.00 C ATOM 293 O ARG A 19 4.647 -10.751 3.294 1.00 0.00 O ATOM 294 CB ARG A 19 2.020 -11.127 4.877 1.00 0.00 C ATOM 295 CG ARG A 19 2.297 -12.613 4.770 1.00 0.00 C ATOM 296 CD ARG A 19 1.530 -13.404 5.814 1.00 0.00 C ATOM 297 NE ARG A 19 0.148 -13.655 5.408 1.00 0.00 N ATOM 298 CZ ARG A 19 -0.621 -14.599 5.943 1.00 0.00 C ATOM 299 NH1 ARG A 19 -0.150 -15.384 6.905 1.00 0.00 N ATOM 300 NH2 ARG A 19 -1.866 -14.761 5.515 1.00 0.00 N ATOM 0 H ARG A 19 1.903 -8.919 5.992 1.00 0.00 H new ATOM 0 HA ARG A 19 3.954 -10.902 5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.268 -10.959 5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.596 -10.774 3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.024 -12.963 3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.365 -12.793 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.034 -14.354 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.537 -12.859 6.758 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.250 -13.072 4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.807 -15.265 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.745 -16.106 7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.233 -14.162 4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.456 -15.485 5.925 1.00 0.00 H new ATOM 314 N LEU A 20 3.844 -8.667 3.507 1.00 0.00 N ATOM 315 CA LEU A 20 4.477 -8.195 2.278 1.00 0.00 C ATOM 316 C LEU A 20 5.977 -8.006 2.449 1.00 0.00 C ATOM 317 O LEU A 20 6.761 -8.417 1.593 1.00 0.00 O ATOM 318 CB LEU A 20 3.851 -6.881 1.825 1.00 0.00 C ATOM 319 CG LEU A 20 2.341 -6.919 1.595 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.896 -5.653 0.888 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.921 -8.149 0.790 1.00 0.00 C ATOM 0 H LEU A 20 3.301 -7.961 4.003 1.00 0.00 H new ATOM 0 HA LEU A 20 4.313 -8.961 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.068 -6.118 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.335 -6.568 0.900 1.00 0.00 H new ATOM 0 HG LEU A 20 1.855 -6.983 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.818 -5.686 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.145 -4.787 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.404 -5.575 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.840 -8.139 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.415 -8.134 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.208 -9.052 1.329 1.00 0.00 H new ATOM 333 N CYS A 21 6.380 -7.380 3.549 1.00 0.00 N ATOM 334 CA CYS A 21 7.801 -7.146 3.797 1.00 0.00 C ATOM 335 C CYS A 21 8.565 -8.463 3.739 1.00 0.00 C ATOM 336 O CYS A 21 9.710 -8.512 3.297 1.00 0.00 O ATOM 337 CB CYS A 21 8.032 -6.454 5.147 1.00 0.00 C ATOM 338 SG CYS A 21 6.763 -5.246 5.601 1.00 0.00 S ATOM 0 H CYS A 21 5.755 -7.029 4.275 1.00 0.00 H new ATOM 0 HA CYS A 21 8.173 -6.481 3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.086 -7.215 5.926 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.000 -5.953 5.123 1.00 0.00 H new ATOM 0 HG CYS A 21 7.327 -4.110 5.885 1.00 0.00 H new ATOM 344 N LYS A 22 7.912 -9.533 4.172 1.00 0.00 N ATOM 345 CA LYS A 22 8.520 -10.856 4.150 1.00 0.00 C ATOM 346 C LYS A 22 8.349 -11.506 2.774 1.00 0.00 C ATOM 347 O LYS A 22 9.081 -12.429 2.418 1.00 0.00 O ATOM 348 CB LYS A 22 7.894 -11.741 5.226 1.00 0.00 C ATOM 349 CG LYS A 22 7.954 -11.138 6.622 1.00 0.00 C ATOM 350 CD LYS A 22 6.600 -11.189 7.310 1.00 0.00 C ATOM 351 CE LYS A 22 6.232 -12.609 7.705 1.00 0.00 C ATOM 352 NZ LYS A 22 6.969 -13.057 8.919 1.00 0.00 N ATOM 0 H LYS A 22 6.962 -9.511 4.542 1.00 0.00 H new ATOM 0 HA LYS A 22 9.585 -10.748 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.853 -11.933 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.403 -12.705 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.688 -11.677 7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.292 -10.104 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.617 -10.556 8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.837 -10.785 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.159 -12.668 7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.451 -13.284 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.640 -14.004 9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.988 -13.090 8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.794 -12.390 9.697 1.00 0.00 H new ATOM 366 N HIS A 23 7.367 -11.022 2.012 1.00 0.00 N ATOM 367 CA HIS A 23 7.080 -11.553 0.685 1.00 0.00 C ATOM 368 C HIS A 23 7.954 -10.914 -0.391 1.00 0.00 C ATOM 369 O HIS A 23 8.691 -11.608 -1.093 1.00 0.00 O ATOM 370 CB HIS A 23 5.605 -11.343 0.343 1.00 0.00 C ATOM 371 CG HIS A 23 5.110 -12.241 -0.749 1.00 0.00 C ATOM 372 ND1 HIS A 23 4.074 -13.134 -0.577 1.00 0.00 N ATOM 373 CD2 HIS A 23 5.516 -12.380 -2.033 1.00 0.00 C ATOM 374 CE1 HIS A 23 3.863 -13.784 -1.708 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.724 -13.345 -2.607 1.00 0.00 N ATOM 0 H HIS A 23 6.755 -10.258 2.297 1.00 0.00 H new ATOM 0 HA HIS A 23 7.306 -12.619 0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.006 -11.509 1.238 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.454 -10.305 0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.313 -11.834 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.114 -14.545 -1.869 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.791 -13.670 -3.572 1.00 0.00 H new ATOM 384 N TRP A 24 7.855 -9.593 -0.536 1.00 0.00 N ATOM 385 CA TRP A 24 8.628 -8.885 -1.553 1.00 0.00 C ATOM 386 C TRP A 24 9.973 -8.400 -1.007 1.00 0.00 C ATOM 387 O TRP A 24 10.820 -7.937 -1.772 1.00 0.00 O ATOM 388 CB TRP A 24 7.824 -7.701 -2.099 1.00 0.00 C ATOM 389 CG TRP A 24 8.471 -7.025 -3.271 1.00 0.00 C ATOM 390 CD1 TRP A 24 9.442 -7.538 -4.082 1.00 0.00 C ATOM 391 CD2 TRP A 24 8.188 -5.711 -3.765 1.00 0.00 C ATOM 392 NE1 TRP A 24 9.782 -6.622 -5.047 1.00 0.00 N ATOM 393 CE2 TRP A 24 9.025 -5.493 -4.874 1.00 0.00 C ATOM 394 CE3 TRP A 24 7.307 -4.697 -3.376 1.00 0.00 C ATOM 395 CZ2 TRP A 24 9.008 -4.303 -5.599 1.00 0.00 C ATOM 396 CZ3 TRP A 24 7.289 -3.517 -4.097 1.00 0.00 C ATOM 397 CH2 TRP A 24 8.135 -3.329 -5.197 1.00 0.00 C ATOM 0 H TRP A 24 7.253 -8.997 0.032 1.00 0.00 H new ATOM 0 HA TRP A 24 8.831 -9.587 -2.361 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.834 -8.050 -2.392 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.682 -6.971 -1.302 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.879 -8.520 -3.980 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.484 -6.760 -5.774 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.652 -4.833 -2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.660 -4.155 -6.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.611 -2.728 -3.807 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.098 -2.396 -5.739 1.00 0.00 H new ATOM 408 N GLY A 25 10.178 -8.501 0.310 1.00 0.00 N ATOM 409 CA GLY A 25 11.434 -8.058 0.890 1.00 0.00 C ATOM 410 C GLY A 25 12.599 -8.967 0.544 1.00 0.00 C ATOM 411 O GLY A 25 13.255 -9.512 1.433 1.00 0.00 O ATOM 0 H GLY A 25 9.503 -8.878 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.652 -7.048 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.330 -8.007 1.974 1.00 0.00 H new ATOM 415 N HIS A 26 12.863 -9.123 -0.747 1.00 0.00 N ATOM 416 CA HIS A 26 13.963 -9.961 -1.209 1.00 0.00 C ATOM 417 C HIS A 26 15.049 -9.104 -1.849 1.00 0.00 C ATOM 418 O HIS A 26 16.221 -9.481 -1.871 1.00 0.00 O ATOM 419 CB HIS A 26 13.457 -11.003 -2.208 1.00 0.00 C ATOM 420 CG HIS A 26 12.857 -10.407 -3.443 1.00 0.00 C ATOM 421 ND1 HIS A 26 13.600 -9.750 -4.400 1.00 0.00 N ATOM 422 CD2 HIS A 26 11.574 -10.374 -3.876 1.00 0.00 C ATOM 423 CE1 HIS A 26 12.801 -9.336 -5.368 1.00 0.00 C ATOM 424 NE2 HIS A 26 11.567 -9.703 -5.074 1.00 0.00 N ATOM 0 H HIS A 26 12.329 -8.679 -1.494 1.00 0.00 H new ATOM 0 HA HIS A 26 14.387 -10.479 -0.349 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.285 -11.653 -2.493 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.712 -11.631 -1.719 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.717 -10.796 -3.373 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.105 -8.791 -6.249 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.742 -9.518 -5.645 1.00 0.00 H new ATOM 433 N LYS A 27 14.650 -7.946 -2.370 1.00 0.00 N ATOM 434 CA LYS A 27 15.588 -7.029 -3.012 1.00 0.00 C ATOM 435 C LYS A 27 15.077 -5.594 -2.891 1.00 0.00 C ATOM 436 O LYS A 27 15.360 -4.743 -3.733 1.00 0.00 O ATOM 437 CB LYS A 27 15.764 -7.418 -4.487 1.00 0.00 C ATOM 438 CG LYS A 27 16.595 -6.442 -5.314 1.00 0.00 C ATOM 439 CD LYS A 27 15.728 -5.656 -6.286 1.00 0.00 C ATOM 440 CE LYS A 27 15.513 -6.416 -7.585 1.00 0.00 C ATOM 441 NZ LYS A 27 15.832 -5.581 -8.777 1.00 0.00 N ATOM 0 H LYS A 27 13.683 -7.621 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 27 16.556 -7.094 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.231 -8.402 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.778 -7.511 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.116 -5.752 -4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.358 -6.990 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.764 -5.443 -5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.198 -4.696 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.137 -7.310 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.477 -6.750 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.672 -6.136 -9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.219 -4.741 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.827 -5.283 -8.736 1.00 0.00 H new ATOM 455 N PHE A 28 14.311 -5.334 -1.834 1.00 0.00 N ATOM 456 CA PHE A 28 13.755 -4.010 -1.606 1.00 0.00 C ATOM 457 C PHE A 28 13.805 -3.641 -0.131 1.00 0.00 C ATOM 458 O PHE A 28 13.664 -4.501 0.737 1.00 0.00 O ATOM 459 CB PHE A 28 12.307 -3.954 -2.093 1.00 0.00 C ATOM 460 CG PHE A 28 12.171 -3.581 -3.538 1.00 0.00 C ATOM 461 CD1 PHE A 28 12.211 -4.553 -4.524 1.00 0.00 C ATOM 462 CD2 PHE A 28 11.992 -2.259 -3.911 1.00 0.00 C ATOM 463 CE1 PHE A 28 12.079 -4.214 -5.856 1.00 0.00 C ATOM 464 CE2 PHE A 28 11.859 -1.915 -5.239 1.00 0.00 C ATOM 465 CZ PHE A 28 11.903 -2.892 -6.215 1.00 0.00 C ATOM 0 H PHE A 28 14.064 -6.024 -1.125 1.00 0.00 H new ATOM 0 HA PHE A 28 14.358 -3.295 -2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.841 -4.926 -1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.757 -3.233 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.347 -5.588 -4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.956 -1.490 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.113 -4.981 -6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.720 -0.881 -5.517 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.800 -2.623 -7.256 1.00 0.00 H new ATOM 475 N GLU A 29 13.981 -2.355 0.147 1.00 0.00 N ATOM 476 CA GLU A 29 14.017 -1.888 1.525 1.00 0.00 C ATOM 477 C GLU A 29 12.606 -1.895 2.092 1.00 0.00 C ATOM 478 O GLU A 29 11.881 -0.906 1.991 1.00 0.00 O ATOM 479 CB GLU A 29 14.607 -0.479 1.605 1.00 0.00 C ATOM 480 CG GLU A 29 14.138 0.442 0.493 1.00 0.00 C ATOM 481 CD GLU A 29 15.142 0.551 -0.637 1.00 0.00 C ATOM 482 OE1 GLU A 29 15.748 -0.481 -0.995 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.322 1.668 -1.165 1.00 0.00 O ATOM 0 H GLU A 29 14.100 -1.625 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 29 14.652 -2.555 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.343 -0.038 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.694 -0.547 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.191 0.075 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.950 1.434 0.903 1.00 0.00 H new ATOM 490 N VAL A 30 12.209 -3.028 2.663 1.00 0.00 N ATOM 491 CA VAL A 30 10.868 -3.165 3.211 1.00 0.00 C ATOM 492 C VAL A 30 10.868 -3.204 4.738 1.00 0.00 C ATOM 493 O VAL A 30 11.447 -4.102 5.347 1.00 0.00 O ATOM 494 CB VAL A 30 10.173 -4.432 2.668 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.740 -4.237 1.221 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.087 -5.640 2.782 1.00 0.00 C ATOM 0 H VAL A 30 12.794 -3.858 2.757 1.00 0.00 H new ATOM 0 HA VAL A 30 10.314 -2.282 2.892 1.00 0.00 H new ATOM 0 HB VAL A 30 9.284 -4.610 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.253 -5.144 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.043 -3.402 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.614 -4.026 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.576 -6.521 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.996 -5.464 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.346 -5.803 3.828 1.00 0.00 H new ATOM 506 N GLU A 31 10.197 -2.225 5.351 1.00 0.00 N ATOM 507 CA GLU A 31 10.100 -2.154 6.805 1.00 0.00 C ATOM 508 C GLU A 31 8.771 -2.740 7.272 1.00 0.00 C ATOM 509 O GLU A 31 7.793 -2.737 6.527 1.00 0.00 O ATOM 510 CB GLU A 31 10.235 -0.703 7.278 1.00 0.00 C ATOM 511 CG GLU A 31 11.347 -0.496 8.293 1.00 0.00 C ATOM 512 CD GLU A 31 11.856 0.931 8.317 1.00 0.00 C ATOM 513 OE1 GLU A 31 11.243 1.769 9.012 1.00 0.00 O ATOM 514 OE2 GLU A 31 12.868 1.212 7.641 1.00 0.00 O ATOM 0 H GLU A 31 9.714 -1.472 4.860 1.00 0.00 H new ATOM 0 HA GLU A 31 10.913 -2.737 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.419 -0.064 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.290 -0.383 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.983 -0.765 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.173 -1.169 8.063 1.00 0.00 H new ATOM 521 N LEU A 32 8.741 -3.251 8.498 1.00 0.00 N ATOM 522 CA LEU A 32 7.522 -3.851 9.039 1.00 0.00 C ATOM 523 C LEU A 32 7.205 -3.328 10.435 1.00 0.00 C ATOM 524 O LEU A 32 7.872 -3.675 11.408 1.00 0.00 O ATOM 525 CB LEU A 32 7.658 -5.383 9.076 1.00 0.00 C ATOM 526 CG LEU A 32 6.352 -6.186 9.215 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.653 -7.613 9.655 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.391 -5.531 10.201 1.00 0.00 C ATOM 0 H LEU A 32 9.539 -3.263 9.133 1.00 0.00 H new ATOM 0 HA LEU A 32 6.699 -3.572 8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.160 -5.703 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.311 -5.647 9.908 1.00 0.00 H new ATOM 0 HG LEU A 32 5.871 -6.203 8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.720 -8.169 9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.290 -8.096 8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.164 -7.597 10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.481 -6.127 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.862 -5.469 11.182 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.142 -4.528 9.855 1.00 0.00 H new ATOM 540 N THR A 33 6.154 -2.518 10.526 1.00 0.00 N ATOM 541 CA THR A 33 5.712 -1.978 11.805 1.00 0.00 C ATOM 542 C THR A 33 4.261 -2.381 12.023 1.00 0.00 C ATOM 543 O THR A 33 3.523 -2.589 11.060 1.00 0.00 O ATOM 544 CB THR A 33 5.845 -0.454 11.818 1.00 0.00 C ATOM 545 OG1 THR A 33 5.558 0.086 10.541 1.00 0.00 O ATOM 546 CG2 THR A 33 7.224 0.022 12.220 1.00 0.00 C ATOM 0 H THR A 33 5.593 -2.222 9.727 1.00 0.00 H new ATOM 0 HA THR A 33 6.334 -2.376 12.607 1.00 0.00 H new ATOM 0 HB THR A 33 5.128 -0.108 12.562 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.647 1.062 10.571 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.250 1.112 12.209 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.454 -0.336 13.223 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.962 -0.366 11.518 1.00 0.00 H new ATOM 554 N PRO A 34 3.818 -2.499 13.279 1.00 0.00 N ATOM 555 CA PRO A 34 2.439 -2.877 13.578 1.00 0.00 C ATOM 556 C PRO A 34 1.482 -1.739 13.280 1.00 0.00 C ATOM 557 O PRO A 34 0.732 -1.293 14.147 1.00 0.00 O ATOM 558 CB PRO A 34 2.467 -3.191 15.067 1.00 0.00 C ATOM 559 CG PRO A 34 3.609 -2.400 15.610 1.00 0.00 C ATOM 560 CD PRO A 34 4.612 -2.265 14.494 1.00 0.00 C ATOM 0 HA PRO A 34 2.093 -3.716 12.975 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.529 -2.910 15.547 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.608 -4.258 15.242 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.274 -1.420 15.950 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.053 -2.901 16.470 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.072 -1.277 14.487 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.419 -2.992 14.591 1.00 0.00 H new ATOM 568 N GLU A 35 1.536 -1.271 12.042 1.00 0.00 N ATOM 569 CA GLU A 35 0.705 -0.168 11.592 1.00 0.00 C ATOM 570 C GLU A 35 0.717 -0.057 10.069 1.00 0.00 C ATOM 571 O GLU A 35 -0.291 0.297 9.459 1.00 0.00 O ATOM 572 CB GLU A 35 1.217 1.141 12.196 1.00 0.00 C ATOM 573 CG GLU A 35 0.943 1.280 13.683 1.00 0.00 C ATOM 574 CD GLU A 35 0.884 2.727 14.132 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.200 3.337 14.030 1.00 0.00 O ATOM 576 OE2 GLU A 35 1.924 3.249 14.588 1.00 0.00 O ATOM 0 H GLU A 35 2.156 -1.645 11.324 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.317 -0.357 11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.291 1.213 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.755 1.977 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.001 0.790 13.922 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.722 0.761 14.242 1.00 0.00 H new ATOM 583 N ARG A 36 1.868 -0.341 9.459 1.00 0.00 N ATOM 584 CA ARG A 36 2.000 -0.247 8.016 1.00 0.00 C ATOM 585 C ARG A 36 3.306 -0.848 7.521 1.00 0.00 C ATOM 586 O ARG A 36 4.214 -1.140 8.299 1.00 0.00 O ATOM 587 CB ARG A 36 1.937 1.216 7.573 1.00 0.00 C ATOM 588 CG ARG A 36 2.778 2.143 8.436 1.00 0.00 C ATOM 589 CD ARG A 36 2.526 3.604 8.105 1.00 0.00 C ATOM 590 NE ARG A 36 3.767 4.328 7.848 1.00 0.00 N ATOM 591 CZ ARG A 36 3.873 5.654 7.885 1.00 0.00 C ATOM 592 NH1 ARG A 36 2.815 6.404 8.168 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.041 6.233 7.640 1.00 0.00 N ATOM 0 H ARG A 36 2.715 -0.636 9.944 1.00 0.00 H new ATOM 0 HA ARG A 36 1.173 -0.812 7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.273 1.290 6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.900 1.551 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.553 1.964 9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.834 1.915 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.879 3.671 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.995 4.077 8.931 1.00 0.00 H new ATOM 0 HE ARG A 36 4.602 3.786 7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.915 5.964 8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.902 7.420 8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.858 5.662 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.122 7.249 7.668 1.00 0.00 H new ATOM 607 N GLY A 37 3.390 -0.989 6.207 1.00 0.00 N ATOM 608 CA GLY A 37 4.582 -1.509 5.580 1.00 0.00 C ATOM 609 C GLY A 37 5.252 -0.421 4.763 1.00 0.00 C ATOM 610 O GLY A 37 4.581 0.492 4.291 1.00 0.00 O ATOM 0 H GLY A 37 2.641 -0.748 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.270 -1.882 6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.328 -2.353 4.939 1.00 0.00 H new ATOM 614 N PHE A 38 6.563 -0.492 4.608 1.00 0.00 N ATOM 615 CA PHE A 38 7.290 0.524 3.859 1.00 0.00 C ATOM 616 C PHE A 38 8.149 -0.125 2.791 1.00 0.00 C ATOM 617 O PHE A 38 9.127 -0.798 3.098 1.00 0.00 O ATOM 618 CB PHE A 38 8.147 1.333 4.828 1.00 0.00 C ATOM 619 CG PHE A 38 8.964 2.427 4.192 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.349 3.543 3.651 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.351 2.355 4.169 1.00 0.00 C ATOM 622 CE1 PHE A 38 9.095 4.565 3.099 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.102 3.371 3.610 1.00 0.00 C ATOM 624 CZ PHE A 38 10.473 4.479 3.076 1.00 0.00 C ATOM 0 H PHE A 38 7.145 -1.238 4.988 1.00 0.00 H new ATOM 0 HA PHE A 38 6.586 1.190 3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.497 1.777 5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.821 0.653 5.349 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.271 3.615 3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.848 1.495 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.601 5.432 2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.179 3.299 3.591 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.058 5.276 2.641 1.00 0.00 H new ATOM 634 N ILE A 39 7.788 0.095 1.534 1.00 0.00 N ATOM 635 CA ILE A 39 8.549 -0.469 0.422 1.00 0.00 C ATOM 636 C ILE A 39 8.926 0.640 -0.551 1.00 0.00 C ATOM 637 O ILE A 39 8.081 1.112 -1.313 1.00 0.00 O ATOM 638 CB ILE A 39 7.765 -1.565 -0.352 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.920 -2.439 0.601 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.737 -2.421 -1.163 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.518 -3.785 0.026 1.00 0.00 C ATOM 0 H ILE A 39 6.981 0.654 1.258 1.00 0.00 H new ATOM 0 HA ILE A 39 9.436 -0.936 0.851 1.00 0.00 H new ATOM 0 HB ILE A 39 7.072 -1.074 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.484 -2.604 1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.019 -1.890 0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.182 -3.188 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.271 -1.790 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.452 -2.896 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.928 -4.333 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.925 -3.633 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.412 -4.357 -0.221 1.00 0.00 H new ATOM 653 N ASP A 40 10.184 1.076 -0.521 1.00 0.00 N ATOM 654 CA ASP A 40 10.618 2.149 -1.403 1.00 0.00 C ATOM 655 C ASP A 40 11.663 1.684 -2.405 1.00 0.00 C ATOM 656 O ASP A 40 12.615 0.982 -2.064 1.00 0.00 O ATOM 657 CB ASP A 40 11.159 3.331 -0.594 1.00 0.00 C ATOM 658 CG ASP A 40 12.075 2.903 0.536 1.00 0.00 C ATOM 659 OD1 ASP A 40 11.689 2.002 1.308 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.179 3.475 0.649 1.00 0.00 O ATOM 0 H ASP A 40 10.908 0.707 0.095 1.00 0.00 H new ATOM 0 HA ASP A 40 9.741 2.469 -1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.701 4.003 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.323 3.896 -0.183 1.00 0.00 H new ATOM 665 N PHE A 41 11.470 2.107 -3.646 1.00 0.00 N ATOM 666 CA PHE A 41 12.381 1.778 -4.741 1.00 0.00 C ATOM 667 C PHE A 41 13.504 2.810 -4.827 1.00 0.00 C ATOM 668 O PHE A 41 14.333 2.774 -5.736 1.00 0.00 O ATOM 669 CB PHE A 41 11.607 1.773 -6.060 1.00 0.00 C ATOM 670 CG PHE A 41 12.070 0.752 -7.066 1.00 0.00 C ATOM 671 CD1 PHE A 41 13.395 0.338 -7.115 1.00 0.00 C ATOM 672 CD2 PHE A 41 11.170 0.206 -7.967 1.00 0.00 C ATOM 673 CE1 PHE A 41 13.808 -0.600 -8.043 1.00 0.00 C ATOM 674 CE2 PHE A 41 11.579 -0.731 -8.896 1.00 0.00 C ATOM 675 CZ PHE A 41 12.899 -1.135 -8.934 1.00 0.00 C ATOM 0 H PHE A 41 10.679 2.688 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 41 12.813 0.795 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.553 1.597 -5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.679 2.763 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.110 0.753 -6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.136 0.517 -7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.841 -0.914 -8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.866 -1.148 -9.593 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.220 -1.868 -9.659 1.00 0.00 H new ATOM 685 N GLY A 42 13.501 3.739 -3.885 1.00 0.00 N ATOM 686 CA GLY A 42 14.497 4.795 -3.867 1.00 0.00 C ATOM 687 C GLY A 42 13.891 6.135 -4.240 1.00 0.00 C ATOM 688 O GLY A 42 13.555 6.936 -3.368 1.00 0.00 O ATOM 0 H GLY A 42 12.822 3.783 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.943 4.859 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.300 4.551 -4.562 1.00 0.00 H new ATOM 692 N ASP A 43 13.719 6.365 -5.540 1.00 0.00 N ATOM 693 CA ASP A 43 13.110 7.600 -6.028 1.00 0.00 C ATOM 694 C ASP A 43 11.608 7.387 -6.179 1.00 0.00 C ATOM 695 O ASP A 43 11.020 7.673 -7.223 1.00 0.00 O ATOM 696 CB ASP A 43 13.726 8.012 -7.367 1.00 0.00 C ATOM 697 CG ASP A 43 14.897 8.959 -7.197 1.00 0.00 C ATOM 698 OD1 ASP A 43 15.735 8.713 -6.303 1.00 0.00 O ATOM 699 OD2 ASP A 43 14.979 9.945 -7.958 1.00 0.00 O ATOM 0 H ASP A 43 13.993 5.712 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 43 13.296 8.401 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.057 7.121 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.964 8.488 -7.983 1.00 0.00 H new ATOM 704 N SER A 44 11.010 6.849 -5.120 1.00 0.00 N ATOM 705 CA SER A 44 9.586 6.534 -5.074 1.00 0.00 C ATOM 706 C SER A 44 9.343 5.584 -3.900 1.00 0.00 C ATOM 707 O SER A 44 10.282 4.932 -3.440 1.00 0.00 O ATOM 708 CB SER A 44 9.142 5.896 -6.396 1.00 0.00 C ATOM 709 OG SER A 44 10.210 5.195 -7.007 1.00 0.00 O ATOM 0 H SER A 44 11.507 6.617 -4.260 1.00 0.00 H new ATOM 0 HA SER A 44 9.002 7.444 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.312 5.213 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.776 6.669 -7.072 1.00 0.00 H new ATOM 0 HG SER A 44 9.901 4.796 -7.847 1.00 0.00 H new ATOM 715 N ASN A 45 8.113 5.506 -3.389 1.00 0.00 N ATOM 716 CA ASN A 45 7.845 4.630 -2.250 1.00 0.00 C ATOM 717 C ASN A 45 6.385 4.198 -2.213 1.00 0.00 C ATOM 718 O ASN A 45 5.545 4.759 -2.918 1.00 0.00 O ATOM 719 CB ASN A 45 8.208 5.331 -0.930 1.00 0.00 C ATOM 720 CG ASN A 45 9.380 6.291 -1.057 1.00 0.00 C ATOM 721 OD1 ASN A 45 10.452 6.055 -0.501 1.00 0.00 O ATOM 722 ND2 ASN A 45 9.181 7.381 -1.790 1.00 0.00 N ATOM 0 H ASN A 45 7.306 6.025 -3.736 1.00 0.00 H new ATOM 0 HA ASN A 45 8.466 3.742 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.338 5.878 -0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.446 4.576 -0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.933 8.060 -1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.276 7.539 -2.234 1.00 0.00 H new ATOM 729 N CYS A 46 6.082 3.201 -1.381 1.00 0.00 N ATOM 730 CA CYS A 46 4.719 2.709 -1.258 1.00 0.00 C ATOM 731 C CYS A 46 4.457 2.181 0.150 1.00 0.00 C ATOM 732 O CYS A 46 4.886 1.083 0.504 1.00 0.00 O ATOM 733 CB CYS A 46 4.462 1.614 -2.288 1.00 0.00 C ATOM 734 SG CYS A 46 2.719 1.201 -2.513 1.00 0.00 S ATOM 0 H CYS A 46 6.761 2.724 -0.788 1.00 0.00 H new ATOM 0 HA CYS A 46 4.037 3.538 -1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.876 1.928 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.001 0.715 -1.988 1.00 0.00 H new ATOM 0 HG CYS A 46 2.607 0.265 -3.408 1.00 0.00 H new ATOM 740 N GLU A 47 3.755 2.977 0.950 1.00 0.00 N ATOM 741 CA GLU A 47 3.436 2.606 2.324 1.00 0.00 C ATOM 742 C GLU A 47 1.987 2.139 2.421 1.00 0.00 C ATOM 743 O GLU A 47 1.143 2.562 1.631 1.00 0.00 O ATOM 744 CB GLU A 47 3.671 3.814 3.238 1.00 0.00 C ATOM 745 CG GLU A 47 4.124 3.477 4.655 1.00 0.00 C ATOM 746 CD GLU A 47 4.935 4.594 5.280 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.651 5.774 4.981 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.856 4.290 6.068 1.00 0.00 O ATOM 0 H GLU A 47 3.394 3.888 0.668 1.00 0.00 H new ATOM 0 HA GLU A 47 4.080 1.785 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.420 4.458 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.748 4.391 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.251 3.274 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.720 2.565 4.636 1.00 0.00 H new ATOM 755 N LEU A 48 1.694 1.266 3.383 1.00 0.00 N ATOM 756 CA LEU A 48 0.329 0.766 3.538 1.00 0.00 C ATOM 757 C LEU A 48 -0.068 0.641 4.996 1.00 0.00 C ATOM 758 O LEU A 48 0.573 -0.069 5.761 1.00 0.00 O ATOM 759 CB LEU A 48 0.139 -0.588 2.840 1.00 0.00 C ATOM 760 CG LEU A 48 1.335 -1.549 2.888 1.00 0.00 C ATOM 761 CD1 LEU A 48 0.969 -2.888 2.260 1.00 0.00 C ATOM 762 CD2 LEU A 48 2.540 -0.948 2.177 1.00 0.00 C ATOM 0 H LEU A 48 2.367 0.896 4.054 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.320 1.503 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.720 -1.087 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.110 -0.403 1.795 1.00 0.00 H new ATOM 0 HG LEU A 48 1.597 -1.712 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.829 -3.557 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.137 -3.331 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.679 -2.735 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.376 -1.646 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.288 -0.753 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.821 -0.014 2.663 1.00 0.00 H new ATOM 774 N LEU A 49 -1.162 1.304 5.361 1.00 0.00 N ATOM 775 CA LEU A 49 -1.672 1.236 6.733 1.00 0.00 C ATOM 776 C LEU A 49 -2.649 0.084 6.839 1.00 0.00 C ATOM 777 O LEU A 49 -3.529 -0.067 5.994 1.00 0.00 O ATOM 778 CB LEU A 49 -2.354 2.541 7.149 1.00 0.00 C ATOM 779 CG LEU A 49 -2.419 2.779 8.661 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.376 3.801 9.087 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.812 3.236 9.070 1.00 0.00 C ATOM 0 H LEU A 49 -1.711 1.891 4.733 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.830 1.079 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.825 3.374 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.369 2.547 6.751 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.203 1.837 9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.438 3.957 10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.382 3.435 8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.560 4.744 8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.839 3.400 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.056 4.165 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.540 2.470 8.801 1.00 0.00 H new ATOM 793 N ALA A 50 -2.477 -0.755 7.851 1.00 0.00 N ATOM 794 CA ALA A 50 -3.340 -1.913 8.002 1.00 0.00 C ATOM 795 C ALA A 50 -3.741 -2.182 9.446 1.00 0.00 C ATOM 796 O ALA A 50 -2.927 -2.607 10.264 1.00 0.00 O ATOM 797 CB ALA A 50 -2.650 -3.121 7.405 1.00 0.00 C ATOM 0 H ALA A 50 -1.759 -0.657 8.568 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.269 -1.704 7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.290 -3.996 7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.455 -2.943 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.707 -3.295 7.924 1.00 0.00 H new ATOM 803 N HIS A 51 -5.022 -1.962 9.733 1.00 0.00 N ATOM 804 CA HIS A 51 -5.570 -2.208 11.046 1.00 0.00 C ATOM 805 C HIS A 51 -6.558 -3.382 10.963 1.00 0.00 C ATOM 806 O HIS A 51 -6.986 -3.767 9.876 1.00 0.00 O ATOM 807 CB HIS A 51 -6.240 -0.940 11.597 1.00 0.00 C ATOM 808 CG HIS A 51 -5.910 -0.664 13.033 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.813 -0.120 13.923 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.769 -0.867 13.739 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.244 0.003 15.108 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.004 -0.444 15.024 1.00 0.00 N ATOM 0 H HIS A 51 -5.700 -1.609 9.058 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.770 -2.473 11.737 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.936 -0.086 10.992 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.321 -1.035 11.493 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.847 -1.284 13.361 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.713 0.402 15.996 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.330 -0.471 15.789 1.00 0.00 H new ATOM 821 N PRO A 52 -6.907 -3.978 12.106 1.00 0.00 N ATOM 822 CA PRO A 52 -7.815 -5.132 12.179 1.00 0.00 C ATOM 823 C PRO A 52 -9.100 -4.988 11.362 1.00 0.00 C ATOM 824 O PRO A 52 -9.749 -5.990 11.061 1.00 0.00 O ATOM 825 CB PRO A 52 -8.141 -5.218 13.668 1.00 0.00 C ATOM 826 CG PRO A 52 -6.935 -4.664 14.337 1.00 0.00 C ATOM 827 CD PRO A 52 -6.420 -3.582 13.428 1.00 0.00 C ATOM 0 HA PRO A 52 -7.344 -6.020 11.757 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.033 -4.642 13.914 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.330 -6.246 13.976 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.183 -4.263 15.320 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.182 -5.438 14.489 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.799 -2.602 13.717 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.332 -3.523 13.453 1.00 0.00 H new ATOM 835 N ASP A 53 -9.491 -3.763 11.013 1.00 0.00 N ATOM 836 CA ASP A 53 -10.723 -3.577 10.251 1.00 0.00 C ATOM 837 C ASP A 53 -10.625 -2.490 9.183 1.00 0.00 C ATOM 838 O ASP A 53 -11.604 -2.234 8.481 1.00 0.00 O ATOM 839 CB ASP A 53 -11.888 -3.276 11.193 1.00 0.00 C ATOM 840 CG ASP A 53 -13.222 -3.718 10.624 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.341 -4.902 10.244 1.00 0.00 O ATOM 842 OD2 ASP A 53 -14.147 -2.881 10.560 1.00 0.00 O ATOM 0 H ASP A 53 -8.987 -2.905 11.239 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.898 -4.515 9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.719 -3.777 12.146 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.920 -2.206 11.396 1.00 0.00 H new ATOM 847 N HIS A 54 -9.463 -1.872 9.022 1.00 0.00 N ATOM 848 CA HIS A 54 -9.321 -0.856 7.985 1.00 0.00 C ATOM 849 C HIS A 54 -7.910 -0.840 7.406 1.00 0.00 C ATOM 850 O HIS A 54 -6.962 -1.291 8.051 1.00 0.00 O ATOM 851 CB HIS A 54 -9.708 0.531 8.499 1.00 0.00 C ATOM 852 CG HIS A 54 -8.926 0.985 9.692 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.735 1.672 9.591 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.179 0.868 11.017 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.289 1.956 10.801 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.147 1.481 11.685 1.00 0.00 N ATOM 0 H HIS A 54 -8.626 -2.048 9.578 1.00 0.00 H new ATOM 0 HA HIS A 54 -10.011 -1.121 7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.574 1.254 7.695 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.768 0.529 8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.033 0.383 11.465 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.377 2.487 11.029 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.058 1.557 12.698 1.00 0.00 H new ATOM 865 N VAL A 55 -7.773 -0.328 6.182 1.00 0.00 N ATOM 866 CA VAL A 55 -6.480 -0.270 5.527 1.00 0.00 C ATOM 867 C VAL A 55 -6.319 1.033 4.751 1.00 0.00 C ATOM 868 O VAL A 55 -7.241 1.486 4.072 1.00 0.00 O ATOM 869 CB VAL A 55 -6.287 -1.479 4.580 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.821 -1.196 3.182 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.827 -1.898 4.524 1.00 0.00 C ATOM 0 H VAL A 55 -8.544 0.050 5.631 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.714 -0.309 6.302 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.867 -2.306 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.666 -2.070 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.886 -0.973 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.293 -0.342 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.718 -2.749 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.224 -1.067 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.490 -2.178 5.522 1.00 0.00 H new ATOM 881 N LEU A 56 -5.139 1.620 4.853 1.00 0.00 N ATOM 882 CA LEU A 56 -4.837 2.866 4.157 1.00 0.00 C ATOM 883 C LEU A 56 -3.684 2.645 3.185 1.00 0.00 C ATOM 884 O LEU A 56 -2.781 1.855 3.452 1.00 0.00 O ATOM 885 CB LEU A 56 -4.488 3.982 5.162 1.00 0.00 C ATOM 886 CG LEU A 56 -5.471 5.161 5.246 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.047 6.123 6.346 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.570 5.896 3.915 1.00 0.00 C ATOM 0 H LEU A 56 -4.369 1.254 5.413 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.719 3.179 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.405 3.535 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.504 4.376 4.907 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.456 4.759 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.752 6.953 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.036 5.600 7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.050 6.506 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.273 6.724 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.589 6.282 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.919 5.208 3.145 1.00 0.00 H new ATOM 900 N MET A 57 -3.727 3.333 2.053 1.00 0.00 N ATOM 901 CA MET A 57 -2.685 3.190 1.042 1.00 0.00 C ATOM 902 C MET A 57 -2.121 4.551 0.642 1.00 0.00 C ATOM 903 O MET A 57 -2.826 5.373 0.059 1.00 0.00 O ATOM 904 CB MET A 57 -3.252 2.445 -0.169 1.00 0.00 C ATOM 905 CG MET A 57 -4.140 1.277 0.231 1.00 0.00 C ATOM 906 SD MET A 57 -4.754 0.348 -1.189 1.00 0.00 S ATOM 907 CE MET A 57 -6.412 1.005 -1.336 1.00 0.00 C ATOM 0 H MET A 57 -4.467 3.992 1.811 1.00 0.00 H new ATOM 0 HA MET A 57 -1.861 2.610 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.825 3.139 -0.783 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.430 2.079 -0.784 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.580 0.607 0.883 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.986 1.650 0.808 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.131 0.186 -1.313 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.609 1.685 -0.507 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.507 1.545 -2.278 1.00 0.00 H new ATOM 917 N ILE A 58 -0.845 4.788 0.963 1.00 0.00 N ATOM 918 CA ILE A 58 -0.199 6.048 0.640 1.00 0.00 C ATOM 919 C ILE A 58 1.076 5.815 -0.160 1.00 0.00 C ATOM 920 O ILE A 58 1.861 4.919 0.152 1.00 0.00 O ATOM 921 CB ILE A 58 0.163 6.839 1.915 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.061 6.985 2.837 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.739 8.196 1.541 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.380 8.415 3.238 1.00 0.00 C ATOM 0 H ILE A 58 -0.246 4.119 1.446 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.909 6.624 0.047 1.00 0.00 H new ATOM 0 HB ILE A 58 0.923 6.285 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.930 6.559 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.893 6.397 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.991 8.747 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.637 8.057 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.002 8.759 0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.256 8.424 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.530 8.842 3.770 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.583 9.006 2.345 1.00 0.00 H new ATOM 936 N LEU A 59 1.285 6.632 -1.184 1.00 0.00 N ATOM 937 CA LEU A 59 2.475 6.516 -2.014 1.00 0.00 C ATOM 938 C LEU A 59 3.282 7.802 -1.992 1.00 0.00 C ATOM 939 O LEU A 59 2.722 8.894 -1.972 1.00 0.00 O ATOM 940 CB LEU A 59 2.101 6.163 -3.465 1.00 0.00 C ATOM 941 CG LEU A 59 1.610 7.315 -4.358 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.402 7.984 -3.742 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.707 8.338 -4.622 1.00 0.00 C ATOM 0 H LEU A 59 0.648 7.380 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 59 3.085 5.712 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.973 5.714 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.324 5.399 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 59 1.326 6.885 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.068 8.797 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.401 7.255 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.667 8.383 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.317 9.134 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.045 8.761 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.545 7.852 -5.123 1.00 0.00 H new ATOM 955 N ASN A 60 4.597 7.668 -2.044 1.00 0.00 N ATOM 956 CA ASN A 60 5.474 8.827 -2.085 1.00 0.00 C ATOM 957 C ASN A 60 6.316 8.740 -3.346 1.00 0.00 C ATOM 958 O ASN A 60 7.258 7.950 -3.419 1.00 0.00 O ATOM 959 CB ASN A 60 6.364 8.887 -0.843 1.00 0.00 C ATOM 960 CG ASN A 60 5.579 8.707 0.441 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.348 8.756 0.441 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.287 8.498 1.545 1.00 0.00 N ATOM 0 H ASN A 60 5.080 6.770 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 60 4.877 9.739 -2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.128 8.113 -0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.882 9.845 -0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.812 8.370 2.439 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.305 8.465 1.499 1.00 0.00 H new ATOM 969 N SER A 61 5.956 9.525 -4.353 1.00 0.00 N ATOM 970 CA SER A 61 6.687 9.479 -5.626 1.00 0.00 C ATOM 971 C SER A 61 6.711 10.831 -6.349 1.00 0.00 C ATOM 972 O SER A 61 5.699 11.527 -6.431 1.00 0.00 O ATOM 973 CB SER A 61 6.069 8.415 -6.539 1.00 0.00 C ATOM 974 OG SER A 61 5.224 7.545 -5.811 1.00 0.00 O ATOM 0 H SER A 61 5.182 10.189 -4.323 1.00 0.00 H new ATOM 0 HA SER A 61 7.721 9.224 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.500 8.899 -7.333 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.861 7.840 -7.019 1.00 0.00 H new ATOM 0 HG SER A 61 5.769 6.935 -5.272 1.00 0.00 H new ATOM 980 N PRO A 62 7.892 11.211 -6.880 1.00 0.00 N ATOM 981 CA PRO A 62 8.099 12.479 -7.603 1.00 0.00 C ATOM 982 C PRO A 62 7.376 12.570 -8.944 1.00 0.00 C ATOM 983 O PRO A 62 7.332 13.641 -9.550 1.00 0.00 O ATOM 984 CB PRO A 62 9.607 12.506 -7.828 1.00 0.00 C ATOM 985 CG PRO A 62 10.015 11.077 -7.818 1.00 0.00 C ATOM 986 CD PRO A 62 9.139 10.430 -6.795 1.00 0.00 C ATOM 0 HA PRO A 62 7.698 13.316 -7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.858 12.983 -8.776 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.114 13.068 -7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.879 10.621 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.069 10.969 -7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.971 9.376 -7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.578 10.479 -5.799 1.00 0.00 H new ATOM 994 N ASP A 63 6.813 11.464 -9.417 1.00 0.00 N ATOM 995 CA ASP A 63 6.110 11.479 -10.694 1.00 0.00 C ATOM 996 C ASP A 63 4.814 10.677 -10.606 1.00 0.00 C ATOM 997 O ASP A 63 4.755 9.677 -9.893 1.00 0.00 O ATOM 998 CB ASP A 63 7.004 10.906 -11.796 1.00 0.00 C ATOM 999 CG ASP A 63 7.550 9.536 -11.444 1.00 0.00 C ATOM 1000 OD1 ASP A 63 8.208 9.413 -10.390 1.00 0.00 O ATOM 1001 OD2 ASP A 63 7.320 8.587 -12.222 1.00 0.00 O ATOM 0 H ASP A 63 6.828 10.560 -8.945 1.00 0.00 H new ATOM 0 HA ASP A 63 5.863 12.513 -10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.435 10.840 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.834 11.589 -11.979 1.00 0.00 H new ATOM 1006 N GLU A 64 3.775 11.105 -11.325 1.00 0.00 N ATOM 1007 CA GLU A 64 2.496 10.369 -11.281 1.00 0.00 C ATOM 1008 C GLU A 64 2.681 8.926 -11.744 1.00 0.00 C ATOM 1009 O GLU A 64 2.162 8.011 -11.111 1.00 0.00 O ATOM 1010 CB GLU A 64 1.383 11.052 -12.088 1.00 0.00 C ATOM 1011 CG GLU A 64 0.573 12.026 -11.248 1.00 0.00 C ATOM 1012 CD GLU A 64 1.141 13.432 -11.273 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.909 13.745 -12.206 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.817 14.219 -10.359 1.00 0.00 O ATOM 0 H GLU A 64 3.783 11.928 -11.927 1.00 0.00 H new ATOM 0 HA GLU A 64 2.177 10.371 -10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.823 11.583 -12.932 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.719 10.293 -12.501 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.454 12.047 -11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.539 11.670 -10.218 1.00 0.00 H new ATOM 1021 N ASP A 65 3.436 8.706 -12.825 1.00 0.00 N ATOM 1022 CA ASP A 65 3.682 7.345 -13.302 1.00 0.00 C ATOM 1023 C ASP A 65 4.088 6.477 -12.122 1.00 0.00 C ATOM 1024 O ASP A 65 3.459 5.461 -11.828 1.00 0.00 O ATOM 1025 CB ASP A 65 4.792 7.348 -14.343 1.00 0.00 C ATOM 1026 CG ASP A 65 4.925 6.018 -15.058 1.00 0.00 C ATOM 1027 OD1 ASP A 65 4.585 4.980 -14.451 1.00 0.00 O ATOM 1028 OD2 ASP A 65 5.366 6.013 -16.227 1.00 0.00 O ATOM 0 H ASP A 65 3.880 9.440 -13.377 1.00 0.00 H new ATOM 0 HA ASP A 65 2.775 6.950 -13.760 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.596 8.132 -15.075 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.738 7.592 -13.859 1.00 0.00 H new ATOM 1033 N SER A 66 5.118 6.933 -11.414 1.00 0.00 N ATOM 1034 CA SER A 66 5.586 6.249 -10.216 1.00 0.00 C ATOM 1035 C SER A 66 4.459 6.247 -9.191 1.00 0.00 C ATOM 1036 O SER A 66 4.008 5.203 -8.727 1.00 0.00 O ATOM 1037 CB SER A 66 6.808 6.968 -9.644 1.00 0.00 C ATOM 1038 OG SER A 66 7.956 6.738 -10.442 1.00 0.00 O ATOM 0 H SER A 66 5.644 7.774 -11.651 1.00 0.00 H new ATOM 0 HA SER A 66 5.871 5.226 -10.461 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.610 8.038 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.993 6.623 -8.627 1.00 0.00 H new ATOM 0 HG SER A 66 7.808 7.100 -11.340 1.00 0.00 H new ATOM 1044 N LEU A 67 4.006 7.453 -8.877 1.00 0.00 N ATOM 1045 CA LEU A 67 2.915 7.694 -7.933 1.00 0.00 C ATOM 1046 C LEU A 67 1.794 6.667 -8.093 1.00 0.00 C ATOM 1047 O LEU A 67 1.478 5.935 -7.156 1.00 0.00 O ATOM 1048 CB LEU A 67 2.398 9.129 -8.168 1.00 0.00 C ATOM 1049 CG LEU A 67 1.035 9.517 -7.576 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.816 11.011 -7.719 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.109 8.763 -8.239 1.00 0.00 C ATOM 0 H LEU A 67 4.391 8.309 -9.277 1.00 0.00 H new ATOM 0 HA LEU A 67 3.280 7.588 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.142 9.820 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.352 9.294 -9.244 1.00 0.00 H new ATOM 0 HG LEU A 67 1.045 9.244 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.153 11.279 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.603 11.547 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.840 11.283 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.054 9.068 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.124 8.989 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.031 7.691 -8.097 1.00 0.00 H new ATOM 1063 N ALA A 68 1.194 6.612 -9.273 1.00 0.00 N ATOM 1064 CA ALA A 68 0.111 5.671 -9.522 1.00 0.00 C ATOM 1065 C ALA A 68 0.625 4.240 -9.473 1.00 0.00 C ATOM 1066 O ALA A 68 -0.060 3.341 -8.984 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.544 5.958 -10.866 1.00 0.00 C ATOM 0 H ALA A 68 1.436 7.203 -10.068 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.639 5.793 -8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.351 5.246 -11.037 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.947 6.971 -10.865 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.197 5.863 -11.660 1.00 0.00 H new ATOM 1073 N HIS A 69 1.842 4.037 -9.968 1.00 0.00 N ATOM 1074 CA HIS A 69 2.450 2.712 -9.963 1.00 0.00 C ATOM 1075 C HIS A 69 2.457 2.148 -8.547 1.00 0.00 C ATOM 1076 O HIS A 69 2.279 0.949 -8.337 1.00 0.00 O ATOM 1077 CB HIS A 69 3.879 2.777 -10.507 1.00 0.00 C ATOM 1078 CG HIS A 69 4.497 1.431 -10.727 1.00 0.00 C ATOM 1079 ND1 HIS A 69 5.795 1.260 -11.163 1.00 0.00 N ATOM 1080 CD2 HIS A 69 3.989 0.186 -10.569 1.00 0.00 C ATOM 1081 CE1 HIS A 69 6.057 -0.030 -11.264 1.00 0.00 C ATOM 1082 NE2 HIS A 69 4.978 -0.704 -10.908 1.00 0.00 N ATOM 0 H HIS A 69 2.424 4.769 -10.376 1.00 0.00 H new ATOM 0 HA HIS A 69 1.862 2.057 -10.606 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.876 3.325 -11.449 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.499 3.343 -9.811 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.991 -0.061 -10.238 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.994 -0.461 -11.583 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.893 -1.720 -10.888 1.00 0.00 H new ATOM 1091 N MET A 70 2.668 3.035 -7.582 1.00 0.00 N ATOM 1092 CA MET A 70 2.705 2.656 -6.169 1.00 0.00 C ATOM 1093 C MET A 70 1.290 2.524 -5.588 1.00 0.00 C ATOM 1094 O MET A 70 0.929 1.462 -5.079 1.00 0.00 O ATOM 1095 CB MET A 70 3.517 3.692 -5.373 1.00 0.00 C ATOM 1096 CG MET A 70 4.708 4.270 -6.128 1.00 0.00 C ATOM 1097 SD MET A 70 6.287 3.650 -5.516 1.00 0.00 S ATOM 1098 CE MET A 70 6.450 2.142 -6.468 1.00 0.00 C ATOM 0 H MET A 70 2.817 4.030 -7.751 1.00 0.00 H new ATOM 0 HA MET A 70 3.187 1.682 -6.089 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.856 4.508 -5.081 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.875 3.228 -4.454 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.613 4.029 -7.187 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.692 5.357 -6.046 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.381 1.642 -6.201 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.609 1.483 -6.252 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.459 2.382 -7.531 1.00 0.00 H new ATOM 1108 N GLN A 71 0.486 3.594 -5.654 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.876 3.547 -5.116 1.00 0.00 C ATOM 1110 C GLN A 71 -1.677 2.386 -5.707 1.00 0.00 C ATOM 1111 O GLN A 71 -2.596 1.874 -5.069 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.638 4.867 -5.327 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.354 5.583 -6.632 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.621 5.907 -7.400 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -2.810 5.457 -8.531 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.500 6.693 -6.788 1.00 0.00 N ATOM 0 H GLN A 71 0.751 4.488 -6.068 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.768 3.389 -4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.707 4.662 -5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.398 5.540 -4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.811 6.505 -6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.706 4.962 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.304 7.044 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.371 6.945 -7.255 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.330 1.972 -6.923 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.031 0.869 -7.577 1.00 0.00 C ATOM 1127 C ASN A 72 -1.503 -0.479 -7.094 1.00 0.00 C ATOM 1128 O ASN A 72 -2.281 -1.393 -6.816 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.896 0.969 -9.096 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.106 0.411 -9.820 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.847 1.146 -10.474 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.312 -0.895 -9.707 1.00 0.00 N ATOM 0 H ASN A 72 -0.574 2.380 -7.473 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.086 0.942 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.756 2.013 -9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.004 0.430 -9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.110 -1.328 -10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.672 -1.466 -9.155 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.178 -0.598 -6.991 1.00 0.00 N ATOM 1140 CA VAL A 73 0.453 -1.833 -6.536 1.00 0.00 C ATOM 1141 C VAL A 73 -0.273 -2.399 -5.316 1.00 0.00 C ATOM 1142 O VAL A 73 -0.525 -3.601 -5.232 1.00 0.00 O ATOM 1143 CB VAL A 73 1.947 -1.600 -6.200 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.483 -2.665 -5.253 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.774 -1.557 -7.475 1.00 0.00 C ATOM 0 H VAL A 73 0.478 0.149 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 73 0.387 -2.556 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 73 2.027 -0.639 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.534 -2.468 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.915 -2.644 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.385 -3.647 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.822 -1.393 -7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.672 -2.503 -8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.421 -0.744 -8.110 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.613 -1.521 -4.378 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.320 -1.938 -3.169 1.00 0.00 C ATOM 1157 C VAL A 74 -2.765 -2.323 -3.489 1.00 0.00 C ATOM 1158 O VAL A 74 -3.244 -3.367 -3.046 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.316 -0.838 -2.086 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.110 -1.272 -0.858 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.105 -0.461 -1.689 1.00 0.00 C ATOM 0 H VAL A 74 -0.413 -0.522 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.787 -2.805 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.797 0.042 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.090 -0.477 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.142 -1.474 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.666 -2.175 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.075 0.316 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.618 -1.338 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.641 -0.090 -2.563 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.459 -1.482 -4.267 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.843 -1.760 -4.645 1.00 0.00 C ATOM 1173 C ALA A 75 -4.974 -3.194 -5.138 1.00 0.00 C ATOM 1174 O ALA A 75 -6.030 -3.815 -5.017 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.313 -0.788 -5.719 1.00 0.00 C ATOM 0 H ALA A 75 -3.085 -0.611 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.474 -1.630 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.346 -1.012 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.250 0.232 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.680 -0.887 -6.601 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.881 -3.710 -5.685 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.849 -5.074 -6.195 1.00 0.00 C ATOM 1183 C ASP A 76 -3.741 -6.080 -5.050 1.00 0.00 C ATOM 1184 O ASP A 76 -4.409 -7.114 -5.054 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.677 -5.254 -7.161 1.00 0.00 C ATOM 1186 CG ASP A 76 -3.046 -6.097 -8.366 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -4.139 -5.882 -8.929 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.240 -6.973 -8.746 1.00 0.00 O ATOM 0 H ASP A 76 -3.002 -3.202 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.781 -5.257 -6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.333 -4.276 -7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.845 -5.721 -6.635 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.891 -5.773 -4.071 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.695 -6.656 -2.923 1.00 0.00 C ATOM 1195 C HIS A 77 -4.008 -6.894 -2.178 1.00 0.00 C ATOM 1196 O HIS A 77 -4.308 -8.020 -1.784 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.634 -6.084 -1.978 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.352 -5.730 -2.668 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.106 -6.023 -3.993 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.760 -5.107 -2.211 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.102 -5.597 -4.319 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.647 -5.037 -3.256 1.00 0.00 N ATOM 0 H HIS A 77 -2.329 -4.922 -4.050 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.343 -7.618 -3.296 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.033 -5.195 -1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.427 -6.811 -1.193 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.919 -4.734 -1.210 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.564 -5.691 -5.290 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.577 -4.620 -3.217 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.794 -5.836 -2.003 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.076 -5.948 -1.324 1.00 0.00 C ATOM 1213 C LEU A 78 -7.040 -6.797 -2.149 1.00 0.00 C ATOM 1214 O LEU A 78 -7.977 -7.386 -1.613 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.678 -4.556 -1.089 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.925 -3.645 -0.108 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.814 -2.486 0.317 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.453 -4.425 1.114 1.00 0.00 C ATOM 0 H LEU A 78 -4.565 -4.895 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.915 -6.431 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.743 -4.045 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.698 -4.681 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.045 -3.251 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.270 -1.846 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.101 -1.907 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.709 -2.873 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.923 -3.755 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.314 -4.853 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.784 -5.225 0.799 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.807 -6.846 -3.458 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.664 -7.615 -4.358 1.00 0.00 C ATOM 1232 C GLN A 79 -7.420 -9.123 -4.240 1.00 0.00 C ATOM 1233 O GLN A 79 -8.371 -9.903 -4.226 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.456 -7.163 -5.805 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.328 -7.902 -6.807 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.730 -7.032 -7.982 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -8.956 -5.831 -7.831 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.822 -7.635 -9.162 1.00 0.00 N ATOM 0 H GLN A 79 -6.035 -6.364 -3.919 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.696 -7.425 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.662 -6.095 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.409 -7.305 -6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.792 -8.777 -7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.225 -8.265 -6.305 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.626 -8.633 -9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.089 -7.100 -9.989 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.154 -9.539 -4.162 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.839 -10.959 -4.057 1.00 0.00 C ATOM 1249 C ARG A 80 -6.314 -11.522 -2.721 1.00 0.00 C ATOM 1250 O ARG A 80 -6.633 -12.706 -2.617 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.334 -11.205 -4.275 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.505 -11.323 -3.002 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.166 -11.995 -3.269 1.00 0.00 C ATOM 1254 NE ARG A 80 -2.288 -13.451 -3.343 1.00 0.00 N ATOM 1255 CZ ARG A 80 -2.452 -14.132 -4.476 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -2.523 -13.499 -5.641 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -2.547 -15.454 -4.444 1.00 0.00 N ATOM 0 H ARG A 80 -5.343 -8.920 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.374 -11.489 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.212 -12.120 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.932 -10.390 -4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.338 -10.331 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.059 -11.895 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.751 -11.618 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.463 -11.730 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.245 -13.979 -2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.452 -12.482 -5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.649 -14.030 -6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.495 -15.948 -3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.673 -15.977 -5.310 1.00 0.00 H new ATOM 1271 N MET A 81 -6.365 -10.670 -1.701 1.00 0.00 N ATOM 1272 CA MET A 81 -6.809 -11.101 -0.382 1.00 0.00 C ATOM 1273 C MET A 81 -8.335 -11.092 -0.271 1.00 0.00 C ATOM 1274 O MET A 81 -8.899 -11.680 0.650 1.00 0.00 O ATOM 1275 CB MET A 81 -6.183 -10.227 0.712 1.00 0.00 C ATOM 1276 CG MET A 81 -6.533 -8.742 0.632 1.00 0.00 C ATOM 1277 SD MET A 81 -8.248 -8.398 1.084 1.00 0.00 S ATOM 1278 CE MET A 81 -8.188 -6.631 1.361 1.00 0.00 C ATOM 0 H MET A 81 -6.106 -9.685 -1.762 1.00 0.00 H new ATOM 0 HA MET A 81 -6.474 -12.129 -0.241 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.498 -10.607 1.684 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.099 -10.332 0.664 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.870 -8.182 1.291 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.351 -8.385 -0.382 1.00 0.00 H new ATOM 0 HE1 MET A 81 -9.192 -6.215 1.278 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.794 -6.432 2.358 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.541 -6.168 0.616 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.999 -10.423 -1.212 1.00 0.00 N ATOM 1289 CA ALA A 82 -10.460 -10.345 -1.209 1.00 0.00 C ATOM 1290 C ALA A 82 -11.010 -10.384 -2.631 1.00 0.00 C ATOM 1291 O ALA A 82 -10.853 -9.431 -3.394 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.917 -9.078 -0.499 1.00 0.00 C ATOM 0 H ALA A 82 -8.551 -9.929 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.848 -11.210 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.006 -9.031 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.558 -9.088 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.514 -8.206 -1.015 1.00 0.00 H new ATOM 1298 N ASN A 83 -11.650 -11.495 -2.983 1.00 0.00 N ATOM 1299 CA ASN A 83 -12.218 -11.660 -4.317 1.00 0.00 C ATOM 1300 C ASN A 83 -13.670 -11.192 -4.357 1.00 0.00 C ATOM 1301 O ASN A 83 -14.146 -10.535 -3.431 1.00 0.00 O ATOM 1302 CB ASN A 83 -12.129 -13.125 -4.752 1.00 0.00 C ATOM 1303 CG ASN A 83 -10.762 -13.727 -4.485 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -9.882 -13.704 -5.345 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -10.580 -14.271 -3.287 1.00 0.00 N ATOM 0 H ASN A 83 -11.788 -12.294 -2.364 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.641 -11.045 -5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -12.887 -13.704 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -12.354 -13.199 -5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.682 -14.692 -3.049 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -11.338 -14.267 -2.605 1.00 0.00 H new ATOM 1312 N SER A 84 -14.368 -11.537 -5.443 1.00 0.00 N ATOM 1313 CA SER A 84 -15.773 -11.164 -5.630 1.00 0.00 C ATOM 1314 C SER A 84 -15.911 -9.761 -6.225 1.00 0.00 C ATOM 1315 O SER A 84 -16.985 -9.386 -6.696 1.00 0.00 O ATOM 1316 CB SER A 84 -16.543 -11.246 -4.307 1.00 0.00 C ATOM 1317 OG SER A 84 -16.110 -12.350 -3.532 1.00 0.00 O ATOM 0 H SER A 84 -13.978 -12.080 -6.213 1.00 0.00 H new ATOM 0 HA SER A 84 -16.202 -11.877 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.402 -10.324 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.610 -11.336 -4.509 1.00 0.00 H new ATOM 0 HG SER A 84 -16.615 -12.379 -2.693 1.00 0.00 H new ATOM 1323 N GLU A 85 -14.827 -8.989 -6.206 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.847 -7.634 -6.749 1.00 0.00 C ATOM 1325 C GLU A 85 -13.437 -7.059 -6.826 1.00 0.00 C ATOM 1326 O GLU A 85 -12.586 -7.368 -5.991 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.732 -6.731 -5.888 1.00 0.00 C ATOM 1328 CG GLU A 85 -15.203 -6.525 -4.479 1.00 0.00 C ATOM 1329 CD GLU A 85 -16.119 -5.662 -3.632 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -17.335 -5.629 -3.918 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -15.621 -5.020 -2.684 1.00 0.00 O ATOM 0 H GLU A 85 -13.927 -9.277 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.258 -7.679 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.830 -5.761 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.731 -7.162 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.076 -7.495 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.217 -6.062 -4.529 1.00 0.00 H new ATOM 1338 N SER A 86 -13.194 -6.217 -7.826 1.00 0.00 N ATOM 1339 CA SER A 86 -11.885 -5.600 -7.995 1.00 0.00 C ATOM 1340 C SER A 86 -11.665 -4.519 -6.943 1.00 0.00 C ATOM 1341 O SER A 86 -11.670 -3.328 -7.253 1.00 0.00 O ATOM 1342 CB SER A 86 -11.754 -5.003 -9.397 1.00 0.00 C ATOM 1343 OG SER A 86 -12.201 -5.917 -10.384 1.00 0.00 O ATOM 0 H SER A 86 -13.883 -5.948 -8.528 1.00 0.00 H new ATOM 0 HA SER A 86 -11.124 -6.370 -7.869 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.335 -4.083 -9.460 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.714 -4.737 -9.587 1.00 0.00 H new ATOM 0 HG SER A 86 -12.109 -5.511 -11.271 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.477 -4.958 -5.696 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.254 -4.067 -4.550 1.00 0.00 C ATOM 1351 C LEU A 87 -11.877 -2.693 -4.723 1.00 0.00 C ATOM 1352 O LEU A 87 -11.348 -1.849 -5.445 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.759 -3.875 -4.272 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.265 -4.342 -2.898 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.278 -3.183 -1.914 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.092 -5.501 -2.354 1.00 0.00 C ATOM 0 H LEU A 87 -11.475 -5.948 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.740 -4.565 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.196 -4.407 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.523 -2.816 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.243 -4.701 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.925 -3.527 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.624 -2.390 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.294 -2.800 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.705 -5.798 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.132 -5.190 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.031 -6.345 -3.041 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.963 -2.446 -4.012 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.585 -1.139 -4.065 1.00 0.00 C ATOM 1370 C GLU A 88 -12.681 -0.164 -3.326 1.00 0.00 C ATOM 1371 O GLU A 88 -12.704 -0.097 -2.097 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.967 -1.174 -3.415 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.730 0.135 -3.532 1.00 0.00 C ATOM 1374 CD GLU A 88 -17.207 -0.072 -3.803 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.930 -0.480 -2.870 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.640 0.176 -4.948 1.00 0.00 O ATOM 0 H GLU A 88 -13.424 -3.121 -3.402 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.715 -0.828 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.555 -1.969 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.857 -1.427 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.610 0.705 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.298 0.733 -4.335 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.868 0.572 -4.072 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.944 1.517 -3.465 1.00 0.00 C ATOM 1385 C ILE A 89 -11.039 2.889 -4.128 1.00 0.00 C ATOM 1386 O ILE A 89 -10.949 2.995 -5.351 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.473 0.995 -3.527 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.832 1.211 -4.912 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.420 -0.478 -3.160 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.080 0.079 -5.888 1.00 0.00 C ATOM 0 H ILE A 89 -11.830 0.533 -5.091 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.231 1.617 -2.418 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.898 1.575 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.218 2.137 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.757 1.341 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.389 -0.828 -3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.803 -0.615 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.030 -1.049 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.597 0.306 -6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.669 -0.846 -5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.152 -0.038 -6.045 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.203 3.949 -3.335 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.267 5.282 -3.910 1.00 0.00 C ATOM 1404 C ALA A 90 -9.891 5.918 -3.862 1.00 0.00 C ATOM 1405 O ALA A 90 -9.380 6.244 -2.790 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.282 6.161 -3.186 1.00 0.00 C ATOM 0 H ALA A 90 -11.291 3.909 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.595 5.192 -4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.300 7.149 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.271 5.709 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.000 6.254 -2.137 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.292 6.082 -5.028 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.964 6.670 -5.124 1.00 0.00 C ATOM 1414 C TRP A 91 -8.033 8.172 -5.369 1.00 0.00 C ATOM 1415 O TRP A 91 -8.778 8.647 -6.224 1.00 0.00 O ATOM 1416 CB TRP A 91 -7.150 5.987 -6.228 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.681 6.206 -7.617 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.917 6.669 -7.972 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -6.981 5.959 -8.842 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -9.024 6.730 -9.340 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -7.850 6.298 -9.897 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -5.702 5.486 -9.149 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -7.480 6.178 -11.234 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -5.336 5.367 -10.477 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -6.222 5.713 -11.505 1.00 0.00 C ATOM 0 H TRP A 91 -9.703 5.817 -5.923 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.464 6.510 -4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.123 6.350 -6.183 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -7.118 4.916 -6.029 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -9.696 6.947 -7.278 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.845 7.046 -9.857 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.012 5.218 -8.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.162 6.443 -12.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -4.351 5.001 -10.726 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -5.906 5.611 -12.533 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.242 8.916 -4.607 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.201 10.367 -4.740 1.00 0.00 C ATOM 1438 C GLN A 92 -6.152 10.778 -5.772 1.00 0.00 C ATOM 1439 O GLN A 92 -5.183 10.057 -6.004 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.894 11.019 -3.391 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.986 10.814 -2.354 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.509 11.098 -0.942 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.400 11.591 -0.737 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.347 10.787 0.039 1.00 0.00 N ATOM 0 H GLN A 92 -6.621 8.540 -3.891 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.179 10.709 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.958 10.614 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.742 12.088 -3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.830 11.464 -2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.349 9.788 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.257 10.380 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.081 10.955 1.009 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.340 11.943 -6.414 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.412 12.446 -7.433 1.00 0.00 C ATOM 1455 C PRO A 93 -3.957 12.394 -6.985 1.00 0.00 C ATOM 1456 O PRO A 93 -3.068 12.099 -7.783 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.845 13.895 -7.618 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.292 13.908 -7.266 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.476 12.860 -6.200 1.00 0.00 C ATOM 0 HA PRO A 93 -5.452 11.845 -8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.275 14.564 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.684 14.228 -8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.595 14.890 -6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.907 13.687 -8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.456 13.296 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.431 12.346 -6.304 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.725 12.701 -5.705 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.379 12.711 -5.124 1.00 0.00 C ATOM 1469 C ALA A 94 -1.801 14.121 -5.119 1.00 0.00 C ATOM 1470 O ALA A 94 -0.623 14.321 -5.415 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.434 11.762 -5.859 1.00 0.00 C ATOM 0 H ALA A 94 -4.462 12.949 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.473 12.361 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.448 11.800 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.822 10.745 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.357 12.063 -6.904 1.00 0.00 H new ATOM 1477 N GLU A 95 -2.636 15.097 -4.780 1.00 0.00 N ATOM 1478 CA GLU A 95 -2.205 16.490 -4.737 1.00 0.00 C ATOM 1479 C GLU A 95 -2.638 17.154 -3.434 1.00 0.00 C ATOM 1480 O GLU A 95 -3.769 16.975 -2.980 1.00 0.00 O ATOM 1481 CB GLU A 95 -2.774 17.260 -5.930 1.00 0.00 C ATOM 1482 CG GLU A 95 -1.823 18.306 -6.489 1.00 0.00 C ATOM 1483 CD GLU A 95 -2.230 18.786 -7.869 1.00 0.00 C ATOM 1484 OE1 GLU A 95 -2.922 18.029 -8.581 1.00 0.00 O ATOM 1485 OE2 GLU A 95 -1.859 19.920 -8.236 1.00 0.00 O ATOM 0 H GLU A 95 -3.614 14.950 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.116 16.509 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.028 16.553 -6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.701 17.748 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.784 19.157 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.817 17.889 -6.535 1.00 0.00 H new ATOM 1492 N SER A 96 -1.732 17.922 -2.838 1.00 0.00 N ATOM 1493 CA SER A 96 -2.019 18.614 -1.587 1.00 0.00 C ATOM 1494 C SER A 96 -1.304 19.960 -1.535 1.00 0.00 C ATOM 1495 O SER A 96 -0.860 20.435 -2.601 1.00 0.00 O ATOM 1496 CB SER A 96 -1.599 17.753 -0.395 1.00 0.00 C ATOM 1497 OG SER A 96 -1.789 18.446 0.827 1.00 0.00 O ATOM 1498 OXT SER A 96 -1.196 20.528 -0.428 1.00 0.00 O ATOM 0 H SER A 96 -0.792 18.081 -3.201 1.00 0.00 H new ATOM 0 HA SER A 96 -3.093 18.791 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.179 16.830 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.551 17.471 -0.498 1.00 0.00 H new ATOM 0 HG SER A 96 -2.016 19.381 0.641 1.00 0.00 H new TER 1504 SER A 96