USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 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 50 THR OG1 : rot 180:sc= -0.719 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.311 K(o=-0.41,f=-4.6!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -116:sc= 0.00368 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= -1.51 K(o=-1.5,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -2:sc= 0.361 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0735 X(o=-0.074,f=-0.0045) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS :FLIP no HE2:sc= -1.15 F(o=-3.2!,f=-1.2) USER MOD Single : A 19 THR OG1 : rot -25:sc= 0.823 USER MOD Single : A 20 ASN :FLIP amide:sc= -1.2 F(o=-2!,f=-1.2) USER MOD Single : A 22 MET CE :methyl -157:sc= -0.176 (180deg=-1.52) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -4.92 K(o=-4.9,f=-5.6!) USER MOD Single : A 32 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-3.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -107:sc= 0.00408 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.902 K(o=-0.9,f=-4.2!) USER MOD Single : A 46 GLN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 47 THR OG1 : rot -65:sc= 0.779 USER MOD Single : A 48 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.91) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.185 F(o=-0.82,f=-0.18) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 67 GLN : amide:sc= -4.54! C(o=-4.5!,f=-7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.483 -16.631 15.052 1.00 0.00 N ATOM 2 CA GLY A 1 -3.668 -15.697 15.807 1.00 0.00 C ATOM 3 C GLY A 1 -2.184 -15.955 15.639 1.00 0.00 C ATOM 4 O GLY A 1 -1.679 -16.010 14.518 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.489 -16.413 15.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.257 -16.550 14.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.288 -17.601 15.374 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.895 -14.680 15.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.928 -15.764 16.863 1.00 0.00 H new ATOM 8 N SER A 2 -1.482 -16.111 16.757 1.00 0.00 N ATOM 9 CA SER A 2 -0.045 -16.359 16.729 1.00 0.00 C ATOM 10 C SER A 2 0.612 -15.613 15.572 1.00 0.00 C ATOM 11 O SER A 2 1.476 -16.154 14.881 1.00 0.00 O ATOM 12 CB SER A 2 0.233 -17.858 16.608 1.00 0.00 C ATOM 13 OG SER A 2 -0.244 -18.367 15.374 1.00 0.00 O ATOM 0 H SER A 2 -1.885 -16.070 17.693 1.00 0.00 H new ATOM 0 HA SER A 2 0.381 -15.993 17.663 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.305 -18.040 16.690 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.245 -18.387 17.432 1.00 0.00 H new ATOM 0 HG SER A 2 -0.053 -19.327 15.320 1.00 0.00 H new ATOM 19 N SER A 3 0.197 -14.367 15.367 1.00 0.00 N ATOM 20 CA SER A 3 0.742 -13.547 14.291 1.00 0.00 C ATOM 21 C SER A 3 2.197 -13.183 14.570 1.00 0.00 C ATOM 22 O SER A 3 2.483 -12.288 15.364 1.00 0.00 O ATOM 23 CB SER A 3 -0.091 -12.275 14.120 1.00 0.00 C ATOM 24 OG SER A 3 0.216 -11.626 12.898 1.00 0.00 O ATOM 0 H SER A 3 -0.515 -13.903 15.932 1.00 0.00 H new ATOM 0 HA SER A 3 0.701 -14.126 13.368 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.152 -12.525 14.147 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.098 -11.598 14.953 1.00 0.00 H new ATOM 0 HG SER A 3 -0.330 -10.817 12.811 1.00 0.00 H new ATOM 30 N GLY A 4 3.113 -13.884 13.909 1.00 0.00 N ATOM 31 CA GLY A 4 4.528 -13.621 14.098 1.00 0.00 C ATOM 32 C GLY A 4 5.400 -14.454 13.181 1.00 0.00 C ATOM 33 O GLY A 4 4.951 -15.459 12.630 1.00 0.00 O ATOM 0 H GLY A 4 2.901 -14.629 13.246 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.725 -12.564 13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.797 -13.825 15.134 1.00 0.00 H new ATOM 37 N SER A 5 6.651 -14.036 13.015 1.00 0.00 N ATOM 38 CA SER A 5 7.587 -14.748 12.153 1.00 0.00 C ATOM 39 C SER A 5 9.028 -14.464 12.565 1.00 0.00 C ATOM 40 O SER A 5 9.444 -13.309 12.656 1.00 0.00 O ATOM 41 CB SER A 5 7.374 -14.348 10.692 1.00 0.00 C ATOM 42 OG SER A 5 6.062 -14.666 10.262 1.00 0.00 O ATOM 0 H SER A 5 7.040 -13.208 13.466 1.00 0.00 H new ATOM 0 HA SER A 5 7.400 -15.817 12.260 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.549 -13.278 10.575 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.101 -14.861 10.062 1.00 0.00 H new ATOM 0 HG SER A 5 5.578 -15.109 10.990 1.00 0.00 H new ATOM 48 N SER A 6 9.786 -15.527 12.814 1.00 0.00 N ATOM 49 CA SER A 6 11.181 -15.394 13.221 1.00 0.00 C ATOM 50 C SER A 6 12.116 -15.643 12.042 1.00 0.00 C ATOM 51 O SER A 6 12.522 -16.776 11.786 1.00 0.00 O ATOM 52 CB SER A 6 11.499 -16.370 14.355 1.00 0.00 C ATOM 53 OG SER A 6 10.648 -16.155 15.467 1.00 0.00 O ATOM 0 H SER A 6 9.458 -16.490 12.741 1.00 0.00 H new ATOM 0 HA SER A 6 11.335 -14.375 13.576 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.386 -17.394 14.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.539 -16.251 14.660 1.00 0.00 H new ATOM 0 HG SER A 6 10.870 -16.792 16.177 1.00 0.00 H new ATOM 59 N GLY A 7 12.455 -14.574 11.327 1.00 0.00 N ATOM 60 CA GLY A 7 13.340 -14.697 10.183 1.00 0.00 C ATOM 61 C GLY A 7 14.011 -13.386 9.826 1.00 0.00 C ATOM 62 O GLY A 7 13.900 -12.403 10.559 1.00 0.00 O ATOM 0 H GLY A 7 12.133 -13.626 11.520 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.103 -15.446 10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.772 -15.056 9.325 1.00 0.00 H new ATOM 66 N LYS A 8 14.712 -13.369 8.697 1.00 0.00 N ATOM 67 CA LYS A 8 15.405 -12.170 8.244 1.00 0.00 C ATOM 68 C LYS A 8 14.410 -11.072 7.879 1.00 0.00 C ATOM 69 O LYS A 8 13.360 -11.341 7.298 1.00 0.00 O ATOM 70 CB LYS A 8 16.289 -12.492 7.037 1.00 0.00 C ATOM 71 CG LYS A 8 17.406 -13.475 7.347 1.00 0.00 C ATOM 72 CD LYS A 8 18.029 -14.029 6.077 1.00 0.00 C ATOM 73 CE LYS A 8 19.041 -13.060 5.484 1.00 0.00 C ATOM 74 NZ LYS A 8 19.247 -13.296 4.028 1.00 0.00 N ATOM 0 H LYS A 8 14.815 -14.174 8.079 1.00 0.00 H new ATOM 0 HA LYS A 8 16.032 -11.812 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.667 -12.901 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.725 -11.567 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.172 -12.980 7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.014 -14.295 7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.517 -14.979 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.247 -14.233 5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.700 -12.037 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.992 -13.163 6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.943 -12.616 3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.597 -14.264 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.345 -13.173 3.525 1.00 0.00 H new ATOM 88 N ASN A 9 14.750 -9.834 8.223 1.00 0.00 N ATOM 89 CA ASN A 9 13.886 -8.695 7.931 1.00 0.00 C ATOM 90 C ASN A 9 14.433 -7.885 6.759 1.00 0.00 C ATOM 91 O ASN A 9 15.632 -7.904 6.482 1.00 0.00 O ATOM 92 CB ASN A 9 13.752 -7.801 9.165 1.00 0.00 C ATOM 93 CG ASN A 9 15.005 -6.990 9.431 1.00 0.00 C ATOM 94 OD1 ASN A 9 15.101 -5.827 9.038 1.00 0.00 O ATOM 95 ND2 ASN A 9 15.974 -7.603 10.101 1.00 0.00 N ATOM 0 H ASN A 9 15.617 -9.594 8.704 1.00 0.00 H new ATOM 0 HA ASN A 9 12.902 -9.077 7.659 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.907 -7.125 9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.531 -8.419 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.842 -7.109 10.309 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.851 -8.568 10.407 1.00 0.00 H new ATOM 102 N LYS A 10 13.544 -7.174 6.073 1.00 0.00 N ATOM 103 CA LYS A 10 13.935 -6.355 4.932 1.00 0.00 C ATOM 104 C LYS A 10 12.929 -5.232 4.698 1.00 0.00 C ATOM 105 O LYS A 10 11.719 -5.453 4.736 1.00 0.00 O ATOM 106 CB LYS A 10 14.053 -7.219 3.674 1.00 0.00 C ATOM 107 CG LYS A 10 15.065 -6.696 2.670 1.00 0.00 C ATOM 108 CD LYS A 10 15.001 -7.466 1.361 1.00 0.00 C ATOM 109 CE LYS A 10 16.119 -7.053 0.416 1.00 0.00 C ATOM 110 NZ LYS A 10 16.318 -8.047 -0.675 1.00 0.00 N ATOM 0 H LYS A 10 12.547 -7.149 6.288 1.00 0.00 H new ATOM 0 HA LYS A 10 14.905 -5.910 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.332 -8.232 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.077 -7.282 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.878 -5.639 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.068 -6.772 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.070 -8.535 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.037 -7.293 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.888 -6.080 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.046 -6.940 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.088 -7.730 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.564 -8.970 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.441 -8.137 -1.227 1.00 0.00 H new ATOM 124 N ARG A 11 13.438 -4.029 4.455 1.00 0.00 N ATOM 125 CA ARG A 11 12.584 -2.872 4.214 1.00 0.00 C ATOM 126 C ARG A 11 13.411 -1.669 3.771 1.00 0.00 C ATOM 127 O ARG A 11 14.515 -1.445 4.267 1.00 0.00 O ATOM 128 CB ARG A 11 11.793 -2.525 5.476 1.00 0.00 C ATOM 129 CG ARG A 11 12.641 -1.904 6.575 1.00 0.00 C ATOM 130 CD ARG A 11 11.954 -1.997 7.928 1.00 0.00 C ATOM 131 NE ARG A 11 12.907 -1.916 9.032 1.00 0.00 N ATOM 132 CZ ARG A 11 13.350 -0.771 9.539 1.00 0.00 C ATOM 133 NH1 ARG A 11 12.927 0.384 9.043 1.00 0.00 N ATOM 134 NH2 ARG A 11 14.216 -0.779 10.543 1.00 0.00 N ATOM 0 H ARG A 11 14.438 -3.830 4.420 1.00 0.00 H new ATOM 0 HA ARG A 11 11.887 -3.125 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.991 -1.835 5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.322 -3.430 5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.606 -2.408 6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.839 -0.859 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.224 -1.193 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.404 -2.936 7.992 1.00 0.00 H new ATOM 0 HE ARG A 11 13.251 -2.787 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.260 0.394 8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.268 1.262 9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.543 -1.665 10.927 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.555 0.101 10.931 1.00 0.00 H new ATOM 148 N GLY A 12 12.869 -0.897 2.834 1.00 0.00 N ATOM 149 CA GLY A 12 13.570 0.273 2.340 1.00 0.00 C ATOM 150 C GLY A 12 12.721 1.102 1.396 1.00 0.00 C ATOM 151 O GLY A 12 11.694 1.652 1.793 1.00 0.00 O ATOM 0 H GLY A 12 11.957 -1.061 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.879 0.891 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.478 -0.042 1.826 1.00 0.00 H new ATOM 155 N VAL A 13 13.151 1.193 0.141 1.00 0.00 N ATOM 156 CA VAL A 13 12.424 1.961 -0.862 1.00 0.00 C ATOM 157 C VAL A 13 11.327 1.122 -1.508 1.00 0.00 C ATOM 158 O VAL A 13 11.495 -0.080 -1.723 1.00 0.00 O ATOM 159 CB VAL A 13 13.368 2.485 -1.961 1.00 0.00 C ATOM 160 CG1 VAL A 13 12.582 3.223 -3.034 1.00 0.00 C ATOM 161 CG2 VAL A 13 14.438 3.384 -1.359 1.00 0.00 C ATOM 0 H VAL A 13 13.999 0.744 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 13 11.973 2.809 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 13 13.862 1.633 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.266 3.586 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.857 2.545 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.059 4.068 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 13 15.096 3.745 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.965 4.232 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.021 2.819 -0.631 1.00 0.00 H new ATOM 171 N LEU A 14 10.205 1.762 -1.817 1.00 0.00 N ATOM 172 CA LEU A 14 9.079 1.074 -2.439 1.00 0.00 C ATOM 173 C LEU A 14 8.595 1.829 -3.673 1.00 0.00 C ATOM 174 O LEU A 14 8.726 3.049 -3.776 1.00 0.00 O ATOM 175 CB LEU A 14 7.932 0.922 -1.439 1.00 0.00 C ATOM 176 CG LEU A 14 8.268 0.191 -0.138 1.00 0.00 C ATOM 177 CD1 LEU A 14 7.074 0.199 0.803 1.00 0.00 C ATOM 178 CD2 LEU A 14 8.713 -1.235 -0.427 1.00 0.00 C ATOM 0 H LEU A 14 10.050 2.756 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 14 9.416 0.085 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.561 1.916 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.116 0.392 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 14 9.091 0.715 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.332 -0.326 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.802 1.228 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.231 -0.300 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.948 -1.740 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.912 -1.770 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.599 -1.218 -1.062 1.00 0.00 H new ATOM 190 N PRO A 15 8.020 1.089 -4.633 1.00 0.00 N ATOM 191 CA PRO A 15 7.502 1.668 -5.876 1.00 0.00 C ATOM 192 C PRO A 15 6.255 2.514 -5.646 1.00 0.00 C ATOM 193 O PRO A 15 5.387 2.156 -4.851 1.00 0.00 O ATOM 194 CB PRO A 15 7.166 0.440 -6.726 1.00 0.00 C ATOM 195 CG PRO A 15 6.916 -0.647 -5.738 1.00 0.00 C ATOM 196 CD PRO A 15 7.831 -0.371 -4.577 1.00 0.00 C ATOM 0 HA PRO A 15 8.220 2.342 -6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.290 0.618 -7.349 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.987 0.185 -7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.873 -0.653 -5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.122 -1.625 -6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.387 -0.683 -3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.777 -0.903 -4.675 1.00 0.00 H new ATOM 204 N LYS A 16 6.173 3.640 -6.347 1.00 0.00 N ATOM 205 CA LYS A 16 5.031 4.538 -6.221 1.00 0.00 C ATOM 206 C LYS A 16 3.720 3.759 -6.242 1.00 0.00 C ATOM 207 O LYS A 16 2.806 4.040 -5.466 1.00 0.00 O ATOM 208 CB LYS A 16 5.041 5.570 -7.351 1.00 0.00 C ATOM 209 CG LYS A 16 3.862 6.527 -7.312 1.00 0.00 C ATOM 210 CD LYS A 16 4.175 7.765 -6.488 1.00 0.00 C ATOM 211 CE LYS A 16 3.785 7.577 -5.030 1.00 0.00 C ATOM 212 NZ LYS A 16 4.662 8.361 -4.116 1.00 0.00 N ATOM 0 H LYS A 16 6.884 3.952 -7.008 1.00 0.00 H new ATOM 0 HA LYS A 16 5.111 5.054 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.966 6.144 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.043 5.048 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.598 6.822 -8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.994 6.019 -6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.240 7.988 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.643 8.622 -6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.748 7.882 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.844 6.520 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.364 8.206 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.648 8.052 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.587 9.373 -4.346 1.00 0.00 H new ATOM 226 N HIS A 17 3.636 2.776 -7.134 1.00 0.00 N ATOM 227 CA HIS A 17 2.437 1.954 -7.254 1.00 0.00 C ATOM 228 C HIS A 17 2.121 1.258 -5.934 1.00 0.00 C ATOM 229 O HIS A 17 0.967 1.206 -5.509 1.00 0.00 O ATOM 230 CB HIS A 17 2.614 0.916 -8.362 1.00 0.00 C ATOM 231 CG HIS A 17 1.406 0.057 -8.577 1.00 0.00 C ATOM 232 ND1 HIS A 17 0.161 0.133 -8.051 1.00 0.00 N flip ATOM 233 CD2 HIS A 17 1.399 -1.035 -9.419 1.00 0.00 C flip ATOM 234 CE1 HIS A 17 -0.569 -0.903 -8.581 1.00 0.00 C flip ATOM 235 NE2 HIS A 17 0.201 -1.592 -9.403 1.00 0.00 N flip ATOM 0 H HIS A 17 4.383 2.530 -7.783 1.00 0.00 H new ATOM 0 HA HIS A 17 1.602 2.607 -7.508 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.856 1.428 -9.293 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.464 0.279 -8.119 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.173 0.830 -7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.241 -1.381 -10.000 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.604 -1.119 -8.361 1.00 0.00 H new ATOM 244 N ALA A 18 3.154 0.723 -5.291 1.00 0.00 N ATOM 245 CA ALA A 18 2.987 0.031 -4.019 1.00 0.00 C ATOM 246 C ALA A 18 2.310 0.930 -2.990 1.00 0.00 C ATOM 247 O ALA A 18 1.297 0.559 -2.396 1.00 0.00 O ATOM 248 CB ALA A 18 4.333 -0.450 -3.499 1.00 0.00 C ATOM 0 H ALA A 18 4.115 0.756 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 18 2.345 -0.834 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.193 -0.965 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.778 -1.135 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.994 0.405 -3.355 1.00 0.00 H new ATOM 254 N THR A 19 2.877 2.115 -2.782 1.00 0.00 N ATOM 255 CA THR A 19 2.330 3.066 -1.823 1.00 0.00 C ATOM 256 C THR A 19 0.906 3.463 -2.194 1.00 0.00 C ATOM 257 O THR A 19 0.068 3.689 -1.322 1.00 0.00 O ATOM 258 CB THR A 19 3.199 4.335 -1.733 1.00 0.00 C ATOM 259 OG1 THR A 19 3.278 4.966 -3.015 1.00 0.00 O ATOM 260 CG2 THR A 19 4.598 3.999 -1.239 1.00 0.00 C ATOM 0 H THR A 19 3.715 2.438 -3.265 1.00 0.00 H new ATOM 0 HA THR A 19 2.324 2.569 -0.853 1.00 0.00 H new ATOM 0 HB THR A 19 2.735 5.017 -1.021 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.128 4.299 -3.718 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.193 4.911 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.535 3.546 -0.250 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.069 3.299 -1.929 1.00 0.00 H new ATOM 268 N ASN A 20 0.640 3.547 -3.493 1.00 0.00 N ATOM 269 CA ASN A 20 -0.685 3.918 -3.979 1.00 0.00 C ATOM 270 C ASN A 20 -1.752 2.984 -3.417 1.00 0.00 C ATOM 271 O ASN A 20 -2.674 3.420 -2.727 1.00 0.00 O ATOM 272 CB ASN A 20 -0.717 3.885 -5.509 1.00 0.00 C ATOM 273 CG ASN A 20 -0.343 5.220 -6.124 1.00 0.00 C ATOM 274 OD1 ASN A 20 0.862 5.299 -6.677 1.00 0.00 O flip ATOM 275 ND2 ASN A 20 -1.128 6.168 -6.101 1.00 0.00 N flip ATOM 0 H ASN A 20 1.323 3.364 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.899 4.931 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.031 3.118 -5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.715 3.601 -5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.044 6.061 -5.665 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.863 7.060 -6.518 1.00 0.00 H new ATOM 282 N VAL A 21 -1.619 1.695 -3.716 1.00 0.00 N ATOM 283 CA VAL A 21 -2.571 0.698 -3.239 1.00 0.00 C ATOM 284 C VAL A 21 -2.709 0.753 -1.722 1.00 0.00 C ATOM 285 O VAL A 21 -3.800 0.970 -1.195 1.00 0.00 O ATOM 286 CB VAL A 21 -2.149 -0.724 -3.654 1.00 0.00 C ATOM 287 CG1 VAL A 21 -3.138 -1.750 -3.124 1.00 0.00 C ATOM 288 CG2 VAL A 21 -2.026 -0.822 -5.167 1.00 0.00 C ATOM 0 H VAL A 21 -0.862 1.317 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.532 0.932 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.173 -0.937 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.824 -2.749 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.172 -1.695 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.129 -1.543 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.727 -1.833 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.987 -0.590 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.276 -0.113 -5.518 1.00 0.00 H new ATOM 298 N MET A 22 -1.596 0.554 -1.024 1.00 0.00 N ATOM 299 CA MET A 22 -1.594 0.582 0.435 1.00 0.00 C ATOM 300 C MET A 22 -2.283 1.839 0.955 1.00 0.00 C ATOM 301 O MET A 22 -3.121 1.771 1.854 1.00 0.00 O ATOM 302 CB MET A 22 -0.160 0.516 0.965 1.00 0.00 C ATOM 303 CG MET A 22 0.539 -0.801 0.665 1.00 0.00 C ATOM 304 SD MET A 22 1.933 -1.114 1.765 1.00 0.00 S ATOM 305 CE MET A 22 3.308 -0.704 0.693 1.00 0.00 C ATOM 0 H MET A 22 -0.685 0.372 -1.444 1.00 0.00 H new ATOM 0 HA MET A 22 -2.146 -0.288 0.792 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.417 1.332 0.530 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.172 0.674 2.043 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.178 -1.617 0.753 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.890 -0.795 -0.367 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.207 -1.210 1.045 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.085 -1.026 -0.324 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.470 0.374 0.705 1.00 0.00 H new ATOM 315 N ARG A 23 -1.924 2.985 0.385 1.00 0.00 N ATOM 316 CA ARG A 23 -2.508 4.257 0.793 1.00 0.00 C ATOM 317 C ARG A 23 -4.031 4.208 0.712 1.00 0.00 C ATOM 318 O ARG A 23 -4.721 4.348 1.721 1.00 0.00 O ATOM 319 CB ARG A 23 -1.976 5.391 -0.085 1.00 0.00 C ATOM 320 CG ARG A 23 -0.713 6.040 0.458 1.00 0.00 C ATOM 321 CD ARG A 23 -0.223 7.154 -0.455 1.00 0.00 C ATOM 322 NE ARG A 23 -1.099 8.321 -0.413 1.00 0.00 N ATOM 323 CZ ARG A 23 -0.975 9.363 -1.228 1.00 0.00 C ATOM 324 NH1 ARG A 23 -0.017 9.382 -2.144 1.00 0.00 N ATOM 325 NH2 ARG A 23 -1.812 10.388 -1.128 1.00 0.00 N ATOM 0 H ARG A 23 -1.232 3.058 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.223 4.443 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.774 5.002 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.749 6.152 -0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.908 6.442 1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.067 5.287 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.785 7.447 -0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.162 6.783 -1.478 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.847 8.337 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.627 8.595 -2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.076 10.183 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.551 10.376 -0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.716 11.188 -1.754 1.00 0.00 H new ATOM 339 N SER A 24 -4.547 4.008 -0.496 1.00 0.00 N ATOM 340 CA SER A 24 -5.988 3.944 -0.710 1.00 0.00 C ATOM 341 C SER A 24 -6.655 3.059 0.338 1.00 0.00 C ATOM 342 O SER A 24 -7.566 3.491 1.044 1.00 0.00 O ATOM 343 CB SER A 24 -6.294 3.413 -2.112 1.00 0.00 C ATOM 344 OG SER A 24 -7.680 3.492 -2.396 1.00 0.00 O ATOM 0 H SER A 24 -3.989 3.887 -1.341 1.00 0.00 H new ATOM 0 HA SER A 24 -6.389 4.953 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.735 3.986 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.961 2.378 -2.193 1.00 0.00 H new ATOM 0 HG SER A 24 -7.849 3.148 -3.298 1.00 0.00 H new ATOM 350 N TRP A 25 -6.194 1.817 0.434 1.00 0.00 N ATOM 351 CA TRP A 25 -6.745 0.869 1.396 1.00 0.00 C ATOM 352 C TRP A 25 -6.748 1.460 2.801 1.00 0.00 C ATOM 353 O TRP A 25 -7.789 1.520 3.457 1.00 0.00 O ATOM 354 CB TRP A 25 -5.940 -0.432 1.378 1.00 0.00 C ATOM 355 CG TRP A 25 -6.408 -1.433 2.391 1.00 0.00 C ATOM 356 CD1 TRP A 25 -7.374 -2.383 2.219 1.00 0.00 C ATOM 357 CD2 TRP A 25 -5.931 -1.581 3.733 1.00 0.00 C ATOM 358 NE1 TRP A 25 -7.527 -3.113 3.374 1.00 0.00 N ATOM 359 CE2 TRP A 25 -6.653 -2.641 4.317 1.00 0.00 C ATOM 360 CE3 TRP A 25 -4.965 -0.923 4.498 1.00 0.00 C ATOM 361 CZ2 TRP A 25 -6.436 -3.055 5.629 1.00 0.00 C ATOM 362 CZ3 TRP A 25 -4.751 -1.334 5.800 1.00 0.00 C ATOM 363 CH2 TRP A 25 -5.484 -2.392 6.354 1.00 0.00 C ATOM 0 H TRP A 25 -5.440 1.443 -0.142 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.775 0.655 1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.001 -0.875 0.384 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.890 -0.204 1.561 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -7.935 -2.538 1.309 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.185 -3.881 3.507 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.395 -0.107 4.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.999 -3.870 6.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.007 -0.832 6.400 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.293 -2.690 7.374 1.00 0.00 H new ATOM 374 N LEU A 26 -5.580 1.896 3.258 1.00 0.00 N ATOM 375 CA LEU A 26 -5.449 2.483 4.587 1.00 0.00 C ATOM 376 C LEU A 26 -6.521 3.542 4.823 1.00 0.00 C ATOM 377 O LEU A 26 -7.174 3.557 5.866 1.00 0.00 O ATOM 378 CB LEU A 26 -4.060 3.100 4.759 1.00 0.00 C ATOM 379 CG LEU A 26 -3.613 3.356 6.198 1.00 0.00 C ATOM 380 CD1 LEU A 26 -3.105 2.072 6.836 1.00 0.00 C ATOM 381 CD2 LEU A 26 -2.540 4.435 6.240 1.00 0.00 C ATOM 0 H LEU A 26 -4.710 1.854 2.728 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.581 1.689 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.331 2.443 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.035 4.046 4.218 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.474 3.705 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.791 2.274 7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.902 1.328 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.258 1.693 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.234 4.604 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.679 4.115 5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.938 5.360 5.824 1.00 0.00 H new ATOM 393 N PHE A 27 -6.699 4.424 3.845 1.00 0.00 N ATOM 394 CA PHE A 27 -7.694 5.486 3.945 1.00 0.00 C ATOM 395 C PHE A 27 -9.100 4.905 4.056 1.00 0.00 C ATOM 396 O PHE A 27 -9.901 5.347 4.880 1.00 0.00 O ATOM 397 CB PHE A 27 -7.606 6.411 2.730 1.00 0.00 C ATOM 398 CG PHE A 27 -6.306 7.157 2.637 1.00 0.00 C ATOM 399 CD1 PHE A 27 -5.846 7.911 3.704 1.00 0.00 C ATOM 400 CD2 PHE A 27 -5.544 7.106 1.481 1.00 0.00 C ATOM 401 CE1 PHE A 27 -4.650 8.599 3.622 1.00 0.00 C ATOM 402 CE2 PHE A 27 -4.347 7.790 1.393 1.00 0.00 C ATOM 403 CZ PHE A 27 -3.900 8.539 2.464 1.00 0.00 C ATOM 0 H PHE A 27 -6.168 4.425 2.974 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.486 6.062 4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.743 5.821 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.425 7.129 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.429 7.962 4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.890 6.525 0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.303 9.182 4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.761 7.739 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.966 9.077 2.396 1.00 0.00 H new ATOM 413 N GLN A 28 -9.392 3.913 3.221 1.00 0.00 N ATOM 414 CA GLN A 28 -10.702 3.273 3.224 1.00 0.00 C ATOM 415 C GLN A 28 -11.020 2.692 4.598 1.00 0.00 C ATOM 416 O GLN A 28 -12.179 2.652 5.013 1.00 0.00 O ATOM 417 CB GLN A 28 -10.757 2.170 2.166 1.00 0.00 C ATOM 418 CG GLN A 28 -10.597 2.683 0.744 1.00 0.00 C ATOM 419 CD GLN A 28 -11.922 3.043 0.101 1.00 0.00 C ATOM 420 OE1 GLN A 28 -12.438 2.305 -0.738 1.00 0.00 O ATOM 421 NE2 GLN A 28 -12.480 4.183 0.492 1.00 0.00 N ATOM 0 H GLN A 28 -8.739 3.535 2.534 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.449 4.031 2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.972 1.442 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.709 1.645 2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.950 3.560 0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.100 1.923 0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.017 4.764 1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.372 4.477 0.094 1.00 0.00 H new ATOM 430 N HIS A 29 -9.984 2.242 5.299 1.00 0.00 N ATOM 431 CA HIS A 29 -10.154 1.662 6.627 1.00 0.00 C ATOM 432 C HIS A 29 -9.396 2.473 7.674 1.00 0.00 C ATOM 433 O HIS A 29 -8.899 1.924 8.657 1.00 0.00 O ATOM 434 CB HIS A 29 -9.670 0.212 6.639 1.00 0.00 C ATOM 435 CG HIS A 29 -9.942 -0.521 5.362 1.00 0.00 C ATOM 436 ND1 HIS A 29 -11.173 -1.059 5.052 1.00 0.00 N ATOM 437 CD2 HIS A 29 -9.134 -0.804 4.314 1.00 0.00 C ATOM 438 CE1 HIS A 29 -11.111 -1.642 3.868 1.00 0.00 C ATOM 439 NE2 HIS A 29 -9.884 -1.501 3.398 1.00 0.00 N ATOM 0 H HIS A 29 -9.019 2.268 4.970 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.215 1.684 6.874 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.598 0.197 6.835 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.152 -0.316 7.461 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.093 -0.532 4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.925 -2.148 3.369 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.548 -1.852 2.501 1.00 0.00 H new ATOM 448 N ILE A 30 -9.313 3.781 7.456 1.00 0.00 N ATOM 449 CA ILE A 30 -8.616 4.666 8.381 1.00 0.00 C ATOM 450 C ILE A 30 -8.969 4.338 9.827 1.00 0.00 C ATOM 451 O ILE A 30 -8.096 4.275 10.692 1.00 0.00 O ATOM 452 CB ILE A 30 -8.951 6.144 8.105 1.00 0.00 C ATOM 453 CG1 ILE A 30 -8.157 7.053 9.046 1.00 0.00 C ATOM 454 CG2 ILE A 30 -10.444 6.387 8.261 1.00 0.00 C ATOM 455 CD1 ILE A 30 -6.806 7.458 8.498 1.00 0.00 C ATOM 0 H ILE A 30 -9.720 4.251 6.647 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.549 4.508 8.226 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.670 6.380 7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.741 7.950 9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.015 6.542 9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.665 7.436 8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.990 5.762 7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.749 6.138 9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.299 8.101 9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.203 6.567 8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.941 7.998 7.561 1.00 0.00 H new ATOM 467 N GLY A 31 -10.257 4.127 10.083 1.00 0.00 N ATOM 468 CA GLY A 31 -10.703 3.805 11.426 1.00 0.00 C ATOM 469 C GLY A 31 -9.950 2.633 12.023 1.00 0.00 C ATOM 470 O GLY A 31 -9.486 2.698 13.161 1.00 0.00 O ATOM 0 H GLY A 31 -10.999 4.173 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.576 4.678 12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.768 3.576 11.406 1.00 0.00 H new ATOM 474 N HIS A 32 -9.829 1.556 11.253 1.00 0.00 N ATOM 475 CA HIS A 32 -9.128 0.363 11.712 1.00 0.00 C ATOM 476 C HIS A 32 -8.190 -0.166 10.631 1.00 0.00 C ATOM 477 O HIS A 32 -8.528 -1.075 9.872 1.00 0.00 O ATOM 478 CB HIS A 32 -10.129 -0.722 12.110 1.00 0.00 C ATOM 479 CG HIS A 32 -9.505 -1.880 12.826 1.00 0.00 C ATOM 480 ND1 HIS A 32 -9.147 -1.838 14.157 1.00 0.00 N ATOM 481 CD2 HIS A 32 -9.177 -3.118 12.389 1.00 0.00 C ATOM 482 CE1 HIS A 32 -8.624 -2.999 14.507 1.00 0.00 C ATOM 483 NE2 HIS A 32 -8.631 -3.794 13.453 1.00 0.00 N ATOM 0 H HIS A 32 -10.207 1.485 10.308 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.533 0.635 12.584 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.895 -0.281 12.748 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.631 -1.087 11.214 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.318 -3.503 11.390 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.253 -3.255 15.489 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.287 -4.754 13.432 1.00 0.00 H new ATOM 492 N PRO A 33 -6.983 0.414 10.558 1.00 0.00 N ATOM 493 CA PRO A 33 -5.972 0.018 9.573 1.00 0.00 C ATOM 494 C PRO A 33 -5.397 -1.366 9.858 1.00 0.00 C ATOM 495 O PRO A 33 -4.304 -1.493 10.409 1.00 0.00 O ATOM 496 CB PRO A 33 -4.889 1.089 9.726 1.00 0.00 C ATOM 497 CG PRO A 33 -5.043 1.588 11.121 1.00 0.00 C ATOM 498 CD PRO A 33 -6.512 1.503 11.431 1.00 0.00 C ATOM 0 HA PRO A 33 -6.386 -0.048 8.567 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.895 0.673 9.562 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.022 1.892 9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.461 0.984 11.818 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.684 2.613 11.211 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.688 1.279 12.483 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.023 2.441 11.215 1.00 0.00 H new ATOM 506 N TYR A 34 -6.140 -2.399 9.479 1.00 0.00 N ATOM 507 CA TYR A 34 -5.705 -3.774 9.695 1.00 0.00 C ATOM 508 C TYR A 34 -5.987 -4.634 8.467 1.00 0.00 C ATOM 509 O TYR A 34 -7.130 -4.981 8.169 1.00 0.00 O ATOM 510 CB TYR A 34 -6.406 -4.367 10.919 1.00 0.00 C ATOM 511 CG TYR A 34 -5.809 -3.920 12.234 1.00 0.00 C ATOM 512 CD1 TYR A 34 -5.848 -2.586 12.621 1.00 0.00 C ATOM 513 CD2 TYR A 34 -5.207 -4.833 13.091 1.00 0.00 C ATOM 514 CE1 TYR A 34 -5.303 -2.175 13.821 1.00 0.00 C ATOM 515 CE2 TYR A 34 -4.660 -4.431 14.294 1.00 0.00 C ATOM 516 CZ TYR A 34 -4.710 -3.100 14.655 1.00 0.00 C ATOM 517 OH TYR A 34 -4.167 -2.694 15.852 1.00 0.00 O ATOM 0 H TYR A 34 -7.047 -2.311 9.020 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.629 -3.764 9.870 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.459 -4.088 10.894 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.363 -5.455 10.861 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.313 -1.858 11.972 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.166 -5.875 12.812 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.341 -1.134 14.106 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.196 -5.154 14.948 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.790 -3.468 16.320 1.00 0.00 H new ATOM 527 N PRO A 35 -4.919 -4.989 7.737 1.00 0.00 N ATOM 528 CA PRO A 35 -5.024 -5.814 6.530 1.00 0.00 C ATOM 529 C PRO A 35 -5.409 -7.255 6.845 1.00 0.00 C ATOM 530 O PRO A 35 -4.978 -7.819 7.852 1.00 0.00 O ATOM 531 CB PRO A 35 -3.614 -5.755 5.936 1.00 0.00 C ATOM 532 CG PRO A 35 -2.725 -5.473 7.098 1.00 0.00 C ATOM 533 CD PRO A 35 -3.527 -4.611 8.033 1.00 0.00 C ATOM 0 HA PRO A 35 -5.801 -5.453 5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.348 -6.695 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.536 -4.975 5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.417 -6.397 7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.816 -4.963 6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.272 -4.803 9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.351 -3.551 7.852 1.00 0.00 H new ATOM 541 N THR A 36 -6.223 -7.849 5.978 1.00 0.00 N ATOM 542 CA THR A 36 -6.667 -9.224 6.164 1.00 0.00 C ATOM 543 C THR A 36 -5.763 -10.199 5.419 1.00 0.00 C ATOM 544 O THR A 36 -5.171 -9.853 4.397 1.00 0.00 O ATOM 545 CB THR A 36 -8.118 -9.416 5.683 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.601 -10.703 6.086 1.00 0.00 O ATOM 547 CG2 THR A 36 -8.208 -9.287 4.170 1.00 0.00 C ATOM 0 H THR A 36 -6.588 -7.398 5.139 1.00 0.00 H new ATOM 0 HA THR A 36 -6.616 -9.431 7.233 1.00 0.00 H new ATOM 0 HB THR A 36 -8.733 -8.639 6.136 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.661 -11.290 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.242 -9.426 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.867 -8.297 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.580 -10.045 3.702 1.00 0.00 H new ATOM 555 N GLU A 37 -5.662 -11.420 5.936 1.00 0.00 N ATOM 556 CA GLU A 37 -4.829 -12.444 5.318 1.00 0.00 C ATOM 557 C GLU A 37 -4.825 -12.299 3.799 1.00 0.00 C ATOM 558 O GLU A 37 -3.796 -12.488 3.150 1.00 0.00 O ATOM 559 CB GLU A 37 -5.325 -13.839 5.707 1.00 0.00 C ATOM 560 CG GLU A 37 -5.006 -14.220 7.143 1.00 0.00 C ATOM 561 CD GLU A 37 -3.576 -13.894 7.529 1.00 0.00 C ATOM 562 OE1 GLU A 37 -2.653 -14.352 6.824 1.00 0.00 O ATOM 563 OE2 GLU A 37 -3.381 -13.182 8.536 1.00 0.00 O ATOM 0 H GLU A 37 -6.147 -11.723 6.781 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.809 -12.314 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.404 -13.886 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.879 -14.574 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.688 -13.697 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.181 -15.287 7.279 1.00 0.00 H new ATOM 570 N ASP A 38 -5.982 -11.963 3.240 1.00 0.00 N ATOM 571 CA ASP A 38 -6.114 -11.792 1.798 1.00 0.00 C ATOM 572 C ASP A 38 -5.435 -10.505 1.340 1.00 0.00 C ATOM 573 O ASP A 38 -4.491 -10.537 0.552 1.00 0.00 O ATOM 574 CB ASP A 38 -7.589 -11.776 1.397 1.00 0.00 C ATOM 575 CG ASP A 38 -8.402 -12.818 2.140 1.00 0.00 C ATOM 576 OD1 ASP A 38 -8.694 -12.602 3.335 1.00 0.00 O ATOM 577 OD2 ASP A 38 -8.748 -13.849 1.526 1.00 0.00 O ATOM 0 H ASP A 38 -6.843 -11.804 3.764 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.623 -12.634 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.005 -10.788 1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.673 -11.951 0.324 1.00 0.00 H new ATOM 582 N GLU A 39 -5.925 -9.374 1.838 1.00 0.00 N ATOM 583 CA GLU A 39 -5.367 -8.076 1.478 1.00 0.00 C ATOM 584 C GLU A 39 -3.846 -8.147 1.375 1.00 0.00 C ATOM 585 O GLU A 39 -3.248 -7.603 0.447 1.00 0.00 O ATOM 586 CB GLU A 39 -5.770 -7.019 2.508 1.00 0.00 C ATOM 587 CG GLU A 39 -7.215 -6.567 2.382 1.00 0.00 C ATOM 588 CD GLU A 39 -7.386 -5.426 1.398 1.00 0.00 C ATOM 589 OE1 GLU A 39 -6.504 -5.251 0.532 1.00 0.00 O ATOM 590 OE2 GLU A 39 -8.403 -4.707 1.495 1.00 0.00 O ATOM 0 H GLU A 39 -6.707 -9.331 2.492 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.767 -7.795 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.609 -7.419 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.117 -6.153 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.829 -7.410 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.581 -6.256 3.360 1.00 0.00 H new ATOM 597 N LYS A 40 -3.225 -8.823 2.336 1.00 0.00 N ATOM 598 CA LYS A 40 -1.774 -8.967 2.356 1.00 0.00 C ATOM 599 C LYS A 40 -1.286 -9.720 1.122 1.00 0.00 C ATOM 600 O LYS A 40 -0.271 -9.362 0.525 1.00 0.00 O ATOM 601 CB LYS A 40 -1.331 -9.702 3.623 1.00 0.00 C ATOM 602 CG LYS A 40 -2.145 -9.337 4.853 1.00 0.00 C ATOM 603 CD LYS A 40 -1.305 -9.407 6.118 1.00 0.00 C ATOM 604 CE LYS A 40 -2.154 -9.748 7.333 1.00 0.00 C ATOM 605 NZ LYS A 40 -1.546 -9.242 8.594 1.00 0.00 N ATOM 0 H LYS A 40 -3.704 -9.280 3.112 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.334 -7.970 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.405 -10.776 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.281 -9.480 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.548 -8.331 4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.995 -10.013 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.524 -10.158 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.806 -8.451 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.149 -9.320 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.278 -10.829 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.295 -10.045 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.690 -8.695 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.228 -8.631 9.088 1.00 0.00 H new ATOM 619 N LYS A 41 -2.016 -10.764 0.745 1.00 0.00 N ATOM 620 CA LYS A 41 -1.659 -11.567 -0.419 1.00 0.00 C ATOM 621 C LYS A 41 -1.953 -10.811 -1.711 1.00 0.00 C ATOM 622 O LYS A 41 -1.084 -10.674 -2.572 1.00 0.00 O ATOM 623 CB LYS A 41 -2.425 -12.892 -0.405 1.00 0.00 C ATOM 624 CG LYS A 41 -1.835 -13.924 0.540 1.00 0.00 C ATOM 625 CD LYS A 41 -2.613 -15.229 0.495 1.00 0.00 C ATOM 626 CE LYS A 41 -2.241 -16.139 1.656 1.00 0.00 C ATOM 627 NZ LYS A 41 -3.090 -17.363 1.695 1.00 0.00 N ATOM 0 H LYS A 41 -2.859 -11.074 1.229 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.590 -11.773 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.460 -12.701 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.442 -13.303 -1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.795 -14.110 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.839 -13.532 1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.682 -15.018 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.415 -15.740 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.193 -16.426 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.347 -15.593 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.806 -17.957 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.088 -17.090 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.970 -17.897 0.811 1.00 0.00 H new ATOM 641 N GLN A 42 -3.183 -10.322 -1.839 1.00 0.00 N ATOM 642 CA GLN A 42 -3.590 -9.580 -3.026 1.00 0.00 C ATOM 643 C GLN A 42 -2.744 -8.322 -3.198 1.00 0.00 C ATOM 644 O GLN A 42 -2.141 -8.108 -4.250 1.00 0.00 O ATOM 645 CB GLN A 42 -5.070 -9.205 -2.936 1.00 0.00 C ATOM 646 CG GLN A 42 -5.980 -10.387 -2.644 1.00 0.00 C ATOM 647 CD GLN A 42 -5.995 -11.404 -3.768 1.00 0.00 C ATOM 648 OE1 GLN A 42 -4.947 -11.881 -4.203 1.00 0.00 O ATOM 649 NE2 GLN A 42 -7.188 -11.742 -4.245 1.00 0.00 N ATOM 0 H GLN A 42 -3.914 -10.427 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.437 -10.221 -3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.200 -8.456 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.377 -8.744 -3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.654 -10.873 -1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.994 -10.026 -2.472 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.031 -11.321 -3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.261 -12.422 -5.002 1.00 0.00 H new ATOM 658 N ILE A 43 -2.705 -7.495 -2.160 1.00 0.00 N ATOM 659 CA ILE A 43 -1.933 -6.259 -2.197 1.00 0.00 C ATOM 660 C ILE A 43 -0.494 -6.523 -2.630 1.00 0.00 C ATOM 661 O ILE A 43 0.028 -5.854 -3.521 1.00 0.00 O ATOM 662 CB ILE A 43 -1.924 -5.560 -0.825 1.00 0.00 C ATOM 663 CG1 ILE A 43 -3.333 -5.090 -0.458 1.00 0.00 C ATOM 664 CG2 ILE A 43 -0.954 -4.387 -0.834 1.00 0.00 C ATOM 665 CD1 ILE A 43 -3.488 -4.729 1.003 1.00 0.00 C ATOM 0 H ILE A 43 -3.199 -7.658 -1.283 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.416 -5.607 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.592 -6.275 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.588 -4.223 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.046 -5.876 -0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.959 -3.903 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.051 -4.747 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.258 -3.669 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.511 -4.405 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.264 -5.600 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.800 -3.922 1.253 1.00 0.00 H new ATOM 677 N ALA A 44 0.139 -7.503 -1.994 1.00 0.00 N ATOM 678 CA ALA A 44 1.516 -7.858 -2.316 1.00 0.00 C ATOM 679 C ALA A 44 1.747 -7.846 -3.823 1.00 0.00 C ATOM 680 O ALA A 44 2.794 -7.404 -4.296 1.00 0.00 O ATOM 681 CB ALA A 44 1.858 -9.223 -1.738 1.00 0.00 C ATOM 0 H ALA A 44 -0.279 -8.065 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 44 2.172 -7.112 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.889 -9.475 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.741 -9.199 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.189 -9.974 -2.159 1.00 0.00 H new ATOM 687 N ALA A 45 0.764 -8.334 -4.572 1.00 0.00 N ATOM 688 CA ALA A 45 0.861 -8.378 -6.026 1.00 0.00 C ATOM 689 C ALA A 45 0.758 -6.980 -6.626 1.00 0.00 C ATOM 690 O ALA A 45 1.701 -6.490 -7.246 1.00 0.00 O ATOM 691 CB ALA A 45 -0.220 -9.282 -6.600 1.00 0.00 C ATOM 0 H ALA A 45 -0.109 -8.705 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 45 1.837 -8.786 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.136 -9.305 -7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.099 -10.291 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.201 -8.898 -6.320 1.00 0.00 H new ATOM 697 N GLN A 46 -0.394 -6.344 -6.438 1.00 0.00 N ATOM 698 CA GLN A 46 -0.620 -5.002 -6.962 1.00 0.00 C ATOM 699 C GLN A 46 0.565 -4.092 -6.656 1.00 0.00 C ATOM 700 O GLN A 46 0.942 -3.250 -7.472 1.00 0.00 O ATOM 701 CB GLN A 46 -1.900 -4.410 -6.371 1.00 0.00 C ATOM 702 CG GLN A 46 -3.145 -5.230 -6.669 1.00 0.00 C ATOM 703 CD GLN A 46 -3.827 -4.807 -7.955 1.00 0.00 C ATOM 704 OE1 GLN A 46 -3.871 -5.564 -8.926 1.00 0.00 O ATOM 705 NE2 GLN A 46 -4.366 -3.594 -7.969 1.00 0.00 N ATOM 0 H GLN A 46 -1.185 -6.736 -5.927 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.728 -5.075 -8.044 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.784 -4.321 -5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.038 -3.402 -6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.874 -6.284 -6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.847 -5.132 -5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.306 -3.000 -7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.840 -3.256 -8.807 1.00 0.00 H new ATOM 714 N THR A 47 1.148 -4.265 -5.474 1.00 0.00 N ATOM 715 CA THR A 47 2.289 -3.458 -5.060 1.00 0.00 C ATOM 716 C THR A 47 3.604 -4.157 -5.386 1.00 0.00 C ATOM 717 O THR A 47 4.666 -3.535 -5.382 1.00 0.00 O ATOM 718 CB THR A 47 2.243 -3.154 -3.550 1.00 0.00 C ATOM 719 OG1 THR A 47 2.389 -4.366 -2.801 1.00 0.00 O ATOM 720 CG2 THR A 47 0.935 -2.475 -3.175 1.00 0.00 C ATOM 0 H THR A 47 0.849 -4.957 -4.787 1.00 0.00 H new ATOM 0 HA THR A 47 2.232 -2.521 -5.614 1.00 0.00 H new ATOM 0 HB THR A 47 3.066 -2.480 -3.312 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.616 -4.946 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.925 -2.270 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.841 -1.538 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.100 -3.129 -3.427 1.00 0.00 H new ATOM 728 N ASN A 48 3.526 -5.454 -5.668 1.00 0.00 N ATOM 729 CA ASN A 48 4.711 -6.237 -5.996 1.00 0.00 C ATOM 730 C ASN A 48 5.658 -6.319 -4.802 1.00 0.00 C ATOM 731 O ASN A 48 6.879 -6.306 -4.962 1.00 0.00 O ATOM 732 CB ASN A 48 5.437 -5.624 -7.195 1.00 0.00 C ATOM 733 CG ASN A 48 6.623 -6.457 -7.642 1.00 0.00 C ATOM 734 OD1 ASN A 48 6.529 -7.680 -7.754 1.00 0.00 O ATOM 735 ND2 ASN A 48 7.747 -5.798 -7.898 1.00 0.00 N ATOM 0 H ASN A 48 2.655 -5.984 -5.676 1.00 0.00 H new ATOM 0 HA ASN A 48 4.389 -7.247 -6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.738 -5.519 -8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.778 -4.622 -6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.578 -6.306 -8.201 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.779 -4.784 -7.792 1.00 0.00 H new ATOM 742 N LEU A 49 5.086 -6.403 -3.606 1.00 0.00 N ATOM 743 CA LEU A 49 5.878 -6.488 -2.384 1.00 0.00 C ATOM 744 C LEU A 49 5.621 -7.805 -1.659 1.00 0.00 C ATOM 745 O LEU A 49 4.621 -8.479 -1.907 1.00 0.00 O ATOM 746 CB LEU A 49 5.554 -5.313 -1.460 1.00 0.00 C ATOM 747 CG LEU A 49 5.675 -3.919 -2.078 1.00 0.00 C ATOM 748 CD1 LEU A 49 5.171 -2.860 -1.111 1.00 0.00 C ATOM 749 CD2 LEU A 49 7.117 -3.637 -2.477 1.00 0.00 C ATOM 0 H LEU A 49 4.077 -6.414 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 49 6.932 -6.446 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.536 -5.437 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.216 -5.364 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 49 5.057 -3.885 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.265 -1.875 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.124 -3.052 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.762 -2.893 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.185 -2.641 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.756 -3.690 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.444 -4.378 -3.207 1.00 0.00 H new ATOM 761 N THR A 50 6.531 -8.166 -0.759 1.00 0.00 N ATOM 762 CA THR A 50 6.403 -9.402 0.003 1.00 0.00 C ATOM 763 C THR A 50 5.546 -9.195 1.247 1.00 0.00 C ATOM 764 O THR A 50 5.566 -8.124 1.856 1.00 0.00 O ATOM 765 CB THR A 50 7.780 -9.946 0.427 1.00 0.00 C ATOM 766 OG1 THR A 50 8.552 -8.904 1.036 1.00 0.00 O ATOM 767 CG2 THR A 50 8.532 -10.508 -0.770 1.00 0.00 C ATOM 0 H THR A 50 7.364 -7.620 -0.540 1.00 0.00 H new ATOM 0 HA THR A 50 5.920 -10.128 -0.651 1.00 0.00 H new ATOM 0 HB THR A 50 7.623 -10.749 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.426 -9.258 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.501 -10.886 -0.446 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.956 -11.320 -1.213 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.679 -9.721 -1.510 1.00 0.00 H new ATOM 775 N LEU A 51 4.795 -10.225 1.621 1.00 0.00 N ATOM 776 CA LEU A 51 3.931 -10.155 2.795 1.00 0.00 C ATOM 777 C LEU A 51 4.587 -9.342 3.906 1.00 0.00 C ATOM 778 O LEU A 51 3.924 -8.565 4.595 1.00 0.00 O ATOM 779 CB LEU A 51 3.609 -11.563 3.299 1.00 0.00 C ATOM 780 CG LEU A 51 2.358 -12.217 2.711 1.00 0.00 C ATOM 781 CD1 LEU A 51 1.114 -11.432 3.097 1.00 0.00 C ATOM 782 CD2 LEU A 51 2.475 -12.326 1.198 1.00 0.00 C ATOM 0 H LEU A 51 4.767 -11.118 1.129 1.00 0.00 H new ATOM 0 HA LEU A 51 3.005 -9.658 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.464 -12.206 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.498 -11.523 4.383 1.00 0.00 H new ATOM 0 HG LEU A 51 2.269 -13.223 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.234 -11.912 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.022 -11.406 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.193 -10.414 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.576 -12.794 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.589 -11.330 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.344 -12.932 0.943 1.00 0.00 H new ATOM 794 N LEU A 52 5.892 -9.525 4.075 1.00 0.00 N ATOM 795 CA LEU A 52 6.639 -8.806 5.102 1.00 0.00 C ATOM 796 C LEU A 52 6.636 -7.306 4.827 1.00 0.00 C ATOM 797 O LEU A 52 6.282 -6.508 5.694 1.00 0.00 O ATOM 798 CB LEU A 52 8.077 -9.321 5.168 1.00 0.00 C ATOM 799 CG LEU A 52 8.856 -8.976 6.438 1.00 0.00 C ATOM 800 CD1 LEU A 52 9.997 -9.958 6.649 1.00 0.00 C ATOM 801 CD2 LEU A 52 9.383 -7.550 6.369 1.00 0.00 C ATOM 0 H LEU A 52 6.455 -10.165 3.514 1.00 0.00 H new ATOM 0 HA LEU A 52 6.152 -8.982 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.059 -10.406 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.623 -8.925 4.312 1.00 0.00 H new ATOM 0 HG LEU A 52 8.178 -9.051 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.539 -9.696 7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.596 -10.967 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.675 -9.916 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.935 -7.321 7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.045 -7.448 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.547 -6.858 6.268 1.00 0.00 H new ATOM 813 N GLN A 53 7.031 -6.930 3.615 1.00 0.00 N ATOM 814 CA GLN A 53 7.073 -5.526 3.226 1.00 0.00 C ATOM 815 C GLN A 53 5.702 -4.876 3.384 1.00 0.00 C ATOM 816 O GLN A 53 5.542 -3.914 4.134 1.00 0.00 O ATOM 817 CB GLN A 53 7.552 -5.389 1.780 1.00 0.00 C ATOM 818 CG GLN A 53 8.996 -5.815 1.575 1.00 0.00 C ATOM 819 CD GLN A 53 9.452 -5.659 0.137 1.00 0.00 C ATOM 820 OE1 GLN A 53 9.074 -6.442 -0.735 1.00 0.00 O ATOM 821 NE2 GLN A 53 10.269 -4.645 -0.118 1.00 0.00 N ATOM 0 H GLN A 53 7.327 -7.579 2.885 1.00 0.00 H new ATOM 0 HA GLN A 53 7.776 -5.014 3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.910 -5.989 1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.440 -4.351 1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.641 -5.222 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.110 -6.856 1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.557 -4.020 0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.609 -4.490 -1.067 1.00 0.00 H new ATOM 830 N VAL A 54 4.714 -5.409 2.671 1.00 0.00 N ATOM 831 CA VAL A 54 3.356 -4.883 2.732 1.00 0.00 C ATOM 832 C VAL A 54 2.907 -4.689 4.176 1.00 0.00 C ATOM 833 O VAL A 54 2.233 -3.712 4.501 1.00 0.00 O ATOM 834 CB VAL A 54 2.360 -5.814 2.016 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.946 -5.262 2.116 1.00 0.00 C ATOM 836 CG2 VAL A 54 2.764 -6.008 0.562 1.00 0.00 C ATOM 0 H VAL A 54 4.830 -6.205 2.044 1.00 0.00 H new ATOM 0 HA VAL A 54 3.367 -3.918 2.225 1.00 0.00 H new ATOM 0 HB VAL A 54 2.380 -6.786 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.256 -5.933 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.661 -5.179 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.906 -4.277 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.049 -6.669 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.774 -5.043 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.759 -6.452 0.517 1.00 0.00 H new ATOM 846 N ASN A 55 3.284 -5.627 5.038 1.00 0.00 N ATOM 847 CA ASN A 55 2.920 -5.560 6.449 1.00 0.00 C ATOM 848 C ASN A 55 3.643 -4.410 7.144 1.00 0.00 C ATOM 849 O ASN A 55 3.013 -3.531 7.730 1.00 0.00 O ATOM 850 CB ASN A 55 3.250 -6.881 7.146 1.00 0.00 C ATOM 851 CG ASN A 55 2.098 -7.866 7.094 1.00 0.00 C ATOM 852 OD1 ASN A 55 0.932 -7.479 7.171 1.00 0.00 O ATOM 853 ND2 ASN A 55 2.422 -9.147 6.963 1.00 0.00 N ATOM 0 H ASN A 55 3.841 -6.443 4.785 1.00 0.00 H new ATOM 0 HA ASN A 55 1.847 -5.382 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.127 -7.327 6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.510 -6.685 8.186 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.690 -9.857 6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.403 -9.421 6.903 1.00 0.00 H new ATOM 860 N ASN A 56 4.970 -4.424 7.072 1.00 0.00 N ATOM 861 CA ASN A 56 5.780 -3.383 7.694 1.00 0.00 C ATOM 862 C ASN A 56 5.244 -1.997 7.349 1.00 0.00 C ATOM 863 O ASN A 56 4.874 -1.226 8.234 1.00 0.00 O ATOM 864 CB ASN A 56 7.238 -3.504 7.244 1.00 0.00 C ATOM 865 CG ASN A 56 8.025 -4.484 8.092 1.00 0.00 C ATOM 866 OD1 ASN A 56 7.504 -5.697 8.232 1.00 0.00 O flip ATOM 867 ND2 ASN A 56 9.089 -4.153 8.615 1.00 0.00 N flip ATOM 0 H ASN A 56 5.507 -5.144 6.589 1.00 0.00 H new ATOM 0 HA ASN A 56 5.728 -3.515 8.775 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.269 -3.823 6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.713 -2.524 7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.452 -3.209 8.480 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.608 -4.822 9.183 1.00 0.00 H new ATOM 874 N TRP A 57 5.204 -1.689 6.057 1.00 0.00 N ATOM 875 CA TRP A 57 4.711 -0.396 5.595 1.00 0.00 C ATOM 876 C TRP A 57 3.414 -0.023 6.304 1.00 0.00 C ATOM 877 O TRP A 57 3.316 1.039 6.920 1.00 0.00 O ATOM 878 CB TRP A 57 4.491 -0.423 4.082 1.00 0.00 C ATOM 879 CG TRP A 57 4.189 0.925 3.501 1.00 0.00 C ATOM 880 CD1 TRP A 57 5.074 1.777 2.904 1.00 0.00 C ATOM 881 CD2 TRP A 57 2.915 1.577 3.465 1.00 0.00 C ATOM 882 NE1 TRP A 57 4.427 2.919 2.499 1.00 0.00 N ATOM 883 CE2 TRP A 57 3.102 2.821 2.830 1.00 0.00 C ATOM 884 CE3 TRP A 57 1.635 1.231 3.904 1.00 0.00 C ATOM 885 CZ2 TRP A 57 2.056 3.717 2.627 1.00 0.00 C ATOM 886 CZ3 TRP A 57 0.598 2.121 3.702 1.00 0.00 C ATOM 887 CH2 TRP A 57 0.812 3.352 3.068 1.00 0.00 C ATOM 0 H TRP A 57 5.507 -2.316 5.312 1.00 0.00 H new ATOM 0 HA TRP A 57 5.462 0.358 5.832 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.381 -0.827 3.600 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.669 -1.101 3.854 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.128 1.582 2.770 1.00 0.00 H new ATOM 0 HE1 TRP A 57 4.863 3.712 2.028 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.459 0.284 4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.220 4.666 2.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -0.395 1.863 4.039 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -0.020 4.026 2.924 1.00 0.00 H new ATOM 898 N PHE A 58 2.421 -0.901 6.213 1.00 0.00 N ATOM 899 CA PHE A 58 1.129 -0.662 6.846 1.00 0.00 C ATOM 900 C PHE A 58 1.299 -0.364 8.333 1.00 0.00 C ATOM 901 O PHE A 58 0.899 0.697 8.813 1.00 0.00 O ATOM 902 CB PHE A 58 0.214 -1.874 6.659 1.00 0.00 C ATOM 903 CG PHE A 58 -0.589 -1.829 5.390 1.00 0.00 C ATOM 904 CD1 PHE A 58 -1.249 -0.670 5.014 1.00 0.00 C ATOM 905 CD2 PHE A 58 -0.683 -2.944 4.574 1.00 0.00 C ATOM 906 CE1 PHE A 58 -1.990 -0.626 3.848 1.00 0.00 C ATOM 907 CE2 PHE A 58 -1.421 -2.905 3.406 1.00 0.00 C ATOM 908 CZ PHE A 58 -2.074 -1.744 3.042 1.00 0.00 C ATOM 0 H PHE A 58 2.486 -1.784 5.707 1.00 0.00 H new ATOM 0 HA PHE A 58 0.674 0.206 6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.819 -2.780 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.466 -1.940 7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.184 0.208 5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.174 -3.854 4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.503 0.282 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.487 -3.782 2.779 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.649 -1.710 2.129 1.00 0.00 H new ATOM 918 N ILE A 59 1.893 -1.307 9.056 1.00 0.00 N ATOM 919 CA ILE A 59 2.116 -1.145 10.487 1.00 0.00 C ATOM 920 C ILE A 59 2.723 0.219 10.798 1.00 0.00 C ATOM 921 O ILE A 59 2.348 0.868 11.774 1.00 0.00 O ATOM 922 CB ILE A 59 3.042 -2.244 11.040 1.00 0.00 C ATOM 923 CG1 ILE A 59 2.395 -3.620 10.869 1.00 0.00 C ATOM 924 CG2 ILE A 59 3.360 -1.981 12.505 1.00 0.00 C ATOM 925 CD1 ILE A 59 3.397 -4.744 10.718 1.00 0.00 C ATOM 0 H ILE A 59 2.229 -2.191 8.674 1.00 0.00 H new ATOM 0 HA ILE A 59 1.142 -1.225 10.969 1.00 0.00 H new ATOM 0 HB ILE A 59 3.975 -2.229 10.477 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.760 -3.824 11.731 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.747 -3.602 9.993 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.015 -2.766 12.882 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.857 -1.016 12.602 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.435 -1.972 13.082 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.868 -5.690 10.601 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.016 -4.564 9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.029 -4.789 11.605 1.00 0.00 H new ATOM 937 N ASN A 60 3.661 0.649 9.960 1.00 0.00 N ATOM 938 CA ASN A 60 4.319 1.937 10.145 1.00 0.00 C ATOM 939 C ASN A 60 3.378 3.084 9.788 1.00 0.00 C ATOM 940 O ASN A 60 3.383 4.129 10.439 1.00 0.00 O ATOM 941 CB ASN A 60 5.584 2.014 9.288 1.00 0.00 C ATOM 942 CG ASN A 60 6.811 1.511 10.022 1.00 0.00 C ATOM 943 OD1 ASN A 60 7.122 1.970 11.121 1.00 0.00 O ATOM 944 ND2 ASN A 60 7.516 0.563 9.416 1.00 0.00 N ATOM 0 H ASN A 60 3.982 0.124 9.146 1.00 0.00 H new ATOM 0 HA ASN A 60 4.594 2.030 11.196 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.441 1.427 8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.747 3.046 8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.352 0.186 9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.221 0.212 8.505 1.00 0.00 H new ATOM 951 N ALA A 61 2.573 2.881 8.751 1.00 0.00 N ATOM 952 CA ALA A 61 1.625 3.897 8.309 1.00 0.00 C ATOM 953 C ALA A 61 0.562 4.155 9.372 1.00 0.00 C ATOM 954 O ALA A 61 0.276 5.303 9.711 1.00 0.00 O ATOM 955 CB ALA A 61 0.974 3.477 7.000 1.00 0.00 C ATOM 0 H ALA A 61 2.558 2.022 8.201 1.00 0.00 H new ATOM 0 HA ALA A 61 2.173 4.825 8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.269 4.245 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.741 3.350 6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.445 2.535 7.143 1.00 0.00 H new ATOM 961 N ARG A 62 -0.020 3.080 9.893 1.00 0.00 N ATOM 962 CA ARG A 62 -1.053 3.191 10.916 1.00 0.00 C ATOM 963 C ARG A 62 -0.452 3.620 12.251 1.00 0.00 C ATOM 964 O ARG A 62 -1.138 4.198 13.095 1.00 0.00 O ATOM 965 CB ARG A 62 -1.785 1.857 11.079 1.00 0.00 C ATOM 966 CG ARG A 62 -0.875 0.708 11.479 1.00 0.00 C ATOM 967 CD ARG A 62 -0.780 0.573 12.991 1.00 0.00 C ATOM 968 NE ARG A 62 -0.246 -0.725 13.392 1.00 0.00 N ATOM 969 CZ ARG A 62 -0.409 -1.244 14.604 1.00 0.00 C ATOM 970 NH1 ARG A 62 -1.088 -0.579 15.528 1.00 0.00 N ATOM 971 NH2 ARG A 62 0.108 -2.432 14.894 1.00 0.00 N ATOM 0 H ARG A 62 0.206 2.123 9.624 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.765 3.952 10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.565 1.970 11.831 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.281 1.607 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.252 -0.222 11.053 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.120 0.869 11.064 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.143 1.365 13.386 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.768 0.710 13.430 1.00 0.00 H new ATOM 0 HE ARG A 62 0.281 -1.263 12.704 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.487 0.334 15.309 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.211 -0.980 16.458 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.631 -2.947 14.186 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.018 -2.829 15.825 1.00 0.00 H new ATOM 985 N ARG A 63 0.832 3.332 12.436 1.00 0.00 N ATOM 986 CA ARG A 63 1.525 3.686 13.669 1.00 0.00 C ATOM 987 C ARG A 63 1.955 5.150 13.650 1.00 0.00 C ATOM 988 O ARG A 63 1.873 5.845 14.662 1.00 0.00 O ATOM 989 CB ARG A 63 2.746 2.787 13.869 1.00 0.00 C ATOM 990 CG ARG A 63 2.427 1.471 14.560 1.00 0.00 C ATOM 991 CD ARG A 63 3.682 0.645 14.793 1.00 0.00 C ATOM 992 NE ARG A 63 4.575 1.269 15.766 1.00 0.00 N ATOM 993 CZ ARG A 63 5.475 0.596 16.475 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.601 -0.715 16.319 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.251 1.234 17.341 1.00 0.00 N ATOM 0 H ARG A 63 1.414 2.854 11.748 1.00 0.00 H new ATOM 0 HA ARG A 63 0.834 3.539 14.499 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.196 2.578 12.898 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.490 3.325 14.456 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.938 1.669 15.514 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.723 0.902 13.953 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.402 -0.349 15.143 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.210 0.513 13.849 1.00 0.00 H new ATOM 0 HE ARG A 63 4.504 2.276 15.909 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.006 -1.209 15.654 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.293 -1.229 16.864 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.157 2.242 17.463 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.942 0.716 17.885 1.00 0.00 H new ATOM 1009 N ARG A 64 2.415 5.611 12.491 1.00 0.00 N ATOM 1010 CA ARG A 64 2.861 6.991 12.340 1.00 0.00 C ATOM 1011 C ARG A 64 1.690 7.958 12.485 1.00 0.00 C ATOM 1012 O ARG A 64 1.848 9.067 12.996 1.00 0.00 O ATOM 1013 CB ARG A 64 3.533 7.186 10.980 1.00 0.00 C ATOM 1014 CG ARG A 64 2.556 7.218 9.817 1.00 0.00 C ATOM 1015 CD ARG A 64 3.171 7.877 8.591 1.00 0.00 C ATOM 1016 NE ARG A 64 2.454 7.530 7.367 1.00 0.00 N ATOM 1017 CZ ARG A 64 2.468 8.280 6.270 1.00 0.00 C ATOM 1018 NH1 ARG A 64 3.158 9.412 6.245 1.00 0.00 N ATOM 1019 NH2 ARG A 64 1.790 7.898 5.195 1.00 0.00 N ATOM 0 H ARG A 64 2.488 5.049 11.643 1.00 0.00 H new ATOM 0 HA ARG A 64 3.584 7.202 13.128 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.099 8.118 10.994 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.250 6.380 10.819 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.249 6.202 9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.657 7.760 10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.166 8.959 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.213 7.572 8.500 1.00 0.00 H new ATOM 0 HE ARG A 64 1.913 6.665 7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.680 9.709 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.167 9.985 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.258 7.028 5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.801 8.474 4.353 1.00 0.00 H new ATOM 1033 N ILE A 65 0.517 7.531 12.030 1.00 0.00 N ATOM 1034 CA ILE A 65 -0.680 8.360 12.109 1.00 0.00 C ATOM 1035 C ILE A 65 -1.248 8.371 13.524 1.00 0.00 C ATOM 1036 O ILE A 65 -1.705 9.406 14.013 1.00 0.00 O ATOM 1037 CB ILE A 65 -1.768 7.871 11.135 1.00 0.00 C ATOM 1038 CG1 ILE A 65 -2.116 6.408 11.417 1.00 0.00 C ATOM 1039 CG2 ILE A 65 -1.307 8.044 9.696 1.00 0.00 C ATOM 1040 CD1 ILE A 65 -3.263 5.887 10.579 1.00 0.00 C ATOM 0 H ILE A 65 0.370 6.616 11.603 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.383 9.371 11.831 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.665 8.473 11.283 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.235 5.792 11.236 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.369 6.300 12.472 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.087 7.694 9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.105 9.098 9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.398 7.465 9.533 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.454 4.844 10.832 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.157 6.478 10.778 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.005 5.963 9.523 1.00 0.00 H new ATOM 1052 N LEU A 66 -1.215 7.216 14.179 1.00 0.00 N ATOM 1053 CA LEU A 66 -1.724 7.092 15.540 1.00 0.00 C ATOM 1054 C LEU A 66 -0.974 8.021 16.489 1.00 0.00 C ATOM 1055 O LEU A 66 -1.584 8.775 17.246 1.00 0.00 O ATOM 1056 CB LEU A 66 -1.603 5.646 16.022 1.00 0.00 C ATOM 1057 CG LEU A 66 -2.758 4.715 15.650 1.00 0.00 C ATOM 1058 CD1 LEU A 66 -2.334 3.261 15.778 1.00 0.00 C ATOM 1059 CD2 LEU A 66 -3.972 4.998 16.523 1.00 0.00 C ATOM 0 H LEU A 66 -0.841 6.351 13.789 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.775 7.380 15.535 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.681 5.226 15.620 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.504 5.653 17.107 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.031 4.902 14.611 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.169 2.614 15.509 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.495 3.067 15.110 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.034 3.059 16.806 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.785 4.327 16.245 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.712 4.839 17.570 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.290 6.031 16.381 1.00 0.00 H new ATOM 1071 N GLN A 67 0.353 7.962 16.440 1.00 0.00 N ATOM 1072 CA GLN A 67 1.187 8.799 17.295 1.00 0.00 C ATOM 1073 C GLN A 67 1.038 10.271 16.926 1.00 0.00 C ATOM 1074 O GLN A 67 1.470 10.700 15.857 1.00 0.00 O ATOM 1075 CB GLN A 67 2.653 8.378 17.182 1.00 0.00 C ATOM 1076 CG GLN A 67 3.598 9.243 18.001 1.00 0.00 C ATOM 1077 CD GLN A 67 3.777 10.629 17.415 1.00 0.00 C ATOM 1078 OE1 GLN A 67 3.149 11.590 17.860 1.00 0.00 O ATOM 1079 NE2 GLN A 67 4.639 10.741 16.411 1.00 0.00 N ATOM 0 H GLN A 67 0.874 7.344 15.818 1.00 0.00 H new ATOM 0 HA GLN A 67 0.857 8.666 18.325 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.751 7.341 17.504 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.954 8.416 16.135 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.216 9.329 19.018 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.569 8.752 18.066 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.138 9.918 16.073 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.802 11.650 15.978 1.00 0.00 H new ATOM 1088 N SER A 68 0.423 11.040 17.819 1.00 0.00 N ATOM 1089 CA SER A 68 0.214 12.465 17.586 1.00 0.00 C ATOM 1090 C SER A 68 -0.329 13.146 18.838 1.00 0.00 C ATOM 1091 O SER A 68 -0.840 12.489 19.744 1.00 0.00 O ATOM 1092 CB SER A 68 -0.751 12.675 16.418 1.00 0.00 C ATOM 1093 OG SER A 68 -0.737 14.023 15.980 1.00 0.00 O ATOM 0 H SER A 68 0.061 10.701 18.710 1.00 0.00 H new ATOM 0 HA SER A 68 1.176 12.913 17.339 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.476 12.018 15.593 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.761 12.399 16.722 1.00 0.00 H new ATOM 0 HG SER A 68 -1.361 14.130 15.232 1.00 0.00 H new ATOM 1099 N GLY A 69 -0.215 14.470 18.881 1.00 0.00 N ATOM 1100 CA GLY A 69 -0.699 15.220 20.025 1.00 0.00 C ATOM 1101 C GLY A 69 0.268 16.305 20.458 1.00 0.00 C ATOM 1102 O GLY A 69 -0.026 17.497 20.374 1.00 0.00 O ATOM 0 H GLY A 69 0.204 15.037 18.144 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.660 15.671 19.779 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.871 14.537 20.857 1.00 0.00 H new ATOM 1106 N PRO A 70 1.452 15.892 20.935 1.00 0.00 N ATOM 1107 CA PRO A 70 2.488 16.822 21.393 1.00 0.00 C ATOM 1108 C PRO A 70 3.113 17.605 20.244 1.00 0.00 C ATOM 1109 O PRO A 70 4.004 18.429 20.453 1.00 0.00 O ATOM 1110 CB PRO A 70 3.527 15.904 22.042 1.00 0.00 C ATOM 1111 CG PRO A 70 3.338 14.586 21.374 1.00 0.00 C ATOM 1112 CD PRO A 70 1.870 14.486 21.063 1.00 0.00 C ATOM 0 HA PRO A 70 2.087 17.579 22.067 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.538 16.282 21.892 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.371 15.828 23.118 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.935 14.520 20.464 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.656 13.770 22.023 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.691 13.928 20.144 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.325 13.975 21.857 1.00 0.00 H new ATOM 1120 N SER A 71 2.641 17.343 19.029 1.00 0.00 N ATOM 1121 CA SER A 71 3.157 18.021 17.846 1.00 0.00 C ATOM 1122 C SER A 71 2.245 19.175 17.440 1.00 0.00 C ATOM 1123 O SER A 71 1.069 18.975 17.139 1.00 0.00 O ATOM 1124 CB SER A 71 3.295 17.034 16.685 1.00 0.00 C ATOM 1125 OG SER A 71 4.229 16.013 16.993 1.00 0.00 O ATOM 0 H SER A 71 1.902 16.666 18.838 1.00 0.00 H new ATOM 0 HA SER A 71 4.140 18.425 18.089 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.325 16.589 16.464 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.614 17.565 15.788 1.00 0.00 H new ATOM 0 HG SER A 71 4.298 15.394 16.236 1.00 0.00 H new ATOM 1131 N SER A 72 2.798 20.384 17.435 1.00 0.00 N ATOM 1132 CA SER A 72 2.035 21.572 17.071 1.00 0.00 C ATOM 1133 C SER A 72 0.741 21.655 17.876 1.00 0.00 C ATOM 1134 O SER A 72 -0.329 21.913 17.327 1.00 0.00 O ATOM 1135 CB SER A 72 1.718 21.561 15.574 1.00 0.00 C ATOM 1136 OG SER A 72 1.463 22.871 15.098 1.00 0.00 O ATOM 0 H SER A 72 3.771 20.566 17.679 1.00 0.00 H new ATOM 0 HA SER A 72 2.642 22.448 17.301 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.554 21.127 15.025 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.851 20.927 15.387 1.00 0.00 H new ATOM 0 HG SER A 72 1.265 22.838 14.139 1.00 0.00 H new ATOM 1142 N GLY A 73 0.849 21.432 19.182 1.00 0.00 N ATOM 1143 CA GLY A 73 -0.319 21.485 20.042 1.00 0.00 C ATOM 1144 C GLY A 73 -0.309 22.692 20.959 1.00 0.00 C ATOM 1145 O GLY A 73 0.714 23.011 21.566 1.00 0.00 O ATOM 0 H GLY A 73 1.724 21.216 19.660 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.219 21.507 19.427 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.366 20.577 20.643 1.00 0.00 H new TER 1149 GLY A 73