USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 712 hydrogens (62 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 79 TYR OH : rot -30:sc= -2.65 USER MOD Set 1.2: A 80 THR OG1 : rot 103:sc= 1.34 USER MOD Set 2.1: A 62 ASN :FLIP amide:sc= -0.0759 F(o=-0.053,f=0.6) USER MOD Set 2.2: A 64 ASN : amide:sc= 0.673 K(o=0.6,f=-3.5!) USER MOD Set 3.1: A 40 SER OG : rot 180:sc= 0.111 USER MOD Set 3.2: A 41 SER OG : rot -48:sc= -0.205! USER MOD Set 4.1: A 35 HIS : no HE2:sc= -1.54 K(o=-3.5,f=-5.6!) USER MOD Set 4.2: A 76 ASN : amide:sc= -1.92! C(o=-3.5!,f=-9.5!) USER MOD Single : A 1 LEU N :NH3+ 136:sc= 0.0699 (180deg=-3.6!) USER MOD Single : A 2 ASN : amide:sc= -2.84! C(o=-2.8!,f=-6.4!) USER MOD Single : A 5 GLN : amide:sc= -0.364 K(o=-0.36,f=-1) USER MOD Single : A 8 SER OG : rot 180:sc= -0.231 USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= -0.0608 (180deg=-0.432) USER MOD Single : A 10 MET CE :methyl 173:sc= -6.11! (180deg=-6.31!) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -1.98 (180deg=-2.79!) USER MOD Single : A 15 THR OG1 : rot -81:sc= -2.88! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.9! C(o=-2.9!,f=-8.4!) USER MOD Single : A 36 ASN : amide:sc= 0.0129 K(o=0.013,f=-4.5!) USER MOD Single : A 37 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.5) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -130:sc= -0.308 USER MOD Single : A 49 ASN :FLIP amide:sc= -1.09 F(o=-1.6,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ -132:sc= 1.84 (180deg=0.00549) USER MOD Single : A 59 HIS : no HE2:sc= 0.693 K(o=0.69,f=-3.3!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 65 ASN : amide:sc= -10! C(o=-10!,f=-19!) USER MOD Single : A 68 SER OG : rot -23:sc= 0.657 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.977! (180deg=-2.38!) USER MOD Single : A 74 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.64) USER MOD Single : A 82 SER OG : rot 85:sc= 0.39 USER MOD Single : A 88 SER OG : rot -15:sc= 0.379 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 COA O2B : rot -75:sc= 0.426 USER MOD Single : A 92 COA OAP : rot -33:sc= -3.06! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -5.657 9.359 7.652 1.00 0.00 N ATOM 2 CA LEU A 1 -6.730 9.223 8.683 1.00 0.00 C ATOM 3 C LEU A 1 -7.317 7.803 8.557 1.00 0.00 C ATOM 4 O LEU A 1 -7.302 7.044 9.502 1.00 0.00 O ATOM 5 CB LEU A 1 -7.785 10.342 8.411 1.00 0.00 C ATOM 6 CG LEU A 1 -8.543 10.756 9.695 1.00 0.00 C ATOM 7 CD1 LEU A 1 -9.522 11.867 9.314 1.00 0.00 C ATOM 8 CD2 LEU A 1 -9.350 9.598 10.288 1.00 0.00 C ATOM 0 H1 LEU A 1 -5.745 10.281 7.179 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.725 9.292 8.110 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.753 8.599 6.949 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.365 9.345 9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.286 11.214 7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -8.500 9.992 7.666 1.00 0.00 H new ATOM 0 HG LEU A 1 -7.814 11.076 10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -10.075 12.184 10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -8.970 12.715 8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -10.220 11.495 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -9.865 9.936 11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -10.083 9.254 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -8.678 8.778 10.541 1.00 0.00 H new ATOM 22 N ASN A 2 -7.812 7.417 7.410 1.00 0.00 N ATOM 23 CA ASN A 2 -8.386 6.028 7.267 1.00 0.00 C ATOM 24 C ASN A 2 -7.290 5.095 6.691 1.00 0.00 C ATOM 25 O ASN A 2 -7.549 4.098 6.049 1.00 0.00 O ATOM 26 CB ASN A 2 -9.591 6.148 6.324 1.00 0.00 C ATOM 27 CG ASN A 2 -9.098 6.820 5.056 1.00 0.00 C ATOM 28 OD1 ASN A 2 -8.575 6.220 4.156 1.00 0.00 O ATOM 29 ND2 ASN A 2 -9.221 8.088 4.899 1.00 0.00 N ATOM 0 H ASN A 2 -7.848 7.991 6.568 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.708 5.605 8.218 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.007 5.165 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.386 6.733 6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.883 8.531 4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.657 8.652 5.628 1.00 0.00 H new ATOM 36 N CYS A 3 -6.072 5.471 6.978 1.00 0.00 N ATOM 37 CA CYS A 3 -4.915 4.685 6.487 1.00 0.00 C ATOM 38 C CYS A 3 -4.304 3.815 7.584 1.00 0.00 C ATOM 39 O CYS A 3 -4.505 2.628 7.497 1.00 0.00 O ATOM 40 CB CYS A 3 -3.883 5.702 5.888 1.00 0.00 C ATOM 41 SG CYS A 3 -4.461 6.688 4.481 1.00 0.00 S ATOM 0 H CYS A 3 -5.833 6.292 7.534 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.235 3.982 5.718 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.573 6.383 6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.996 5.149 5.578 1.00 0.00 H new ATOM 46 N GLY A 4 -3.612 4.359 8.562 1.00 0.00 N ATOM 47 CA GLY A 4 -2.973 3.528 9.684 1.00 0.00 C ATOM 48 C GLY A 4 -2.651 2.058 9.302 1.00 0.00 C ATOM 49 O GLY A 4 -1.511 1.725 9.061 1.00 0.00 O ATOM 0 H GLY A 4 -3.451 5.363 8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.051 4.017 9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.644 3.527 10.543 1.00 0.00 H new ATOM 53 N GLN A 5 -3.631 1.188 9.246 1.00 0.00 N ATOM 54 CA GLN A 5 -3.396 -0.257 8.865 1.00 0.00 C ATOM 55 C GLN A 5 -2.524 -0.285 7.580 1.00 0.00 C ATOM 56 O GLN A 5 -1.570 -1.028 7.421 1.00 0.00 O ATOM 57 CB GLN A 5 -4.782 -0.919 8.615 1.00 0.00 C ATOM 58 CG GLN A 5 -5.640 -0.957 9.920 1.00 0.00 C ATOM 59 CD GLN A 5 -4.829 -1.560 11.059 1.00 0.00 C ATOM 60 OE1 GLN A 5 -4.076 -0.870 11.709 1.00 0.00 O ATOM 61 NE2 GLN A 5 -4.925 -2.819 11.338 1.00 0.00 N ATOM 0 H GLN A 5 -4.604 1.415 9.451 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.878 -0.804 9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.317 -0.366 7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.640 -1.933 8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.960 0.051 10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.543 -1.545 9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.555 -3.414 10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.371 -3.217 12.096 1.00 0.00 H new ATOM 70 N VAL A 6 -2.955 0.586 6.706 1.00 0.00 N ATOM 71 CA VAL A 6 -2.307 0.789 5.378 1.00 0.00 C ATOM 72 C VAL A 6 -0.802 0.889 5.656 1.00 0.00 C ATOM 73 O VAL A 6 -0.029 0.007 5.352 1.00 0.00 O ATOM 74 CB VAL A 6 -2.864 2.102 4.757 1.00 0.00 C ATOM 75 CG1 VAL A 6 -2.051 2.485 3.527 1.00 0.00 C ATOM 76 CG2 VAL A 6 -4.334 1.937 4.342 1.00 0.00 C ATOM 0 H VAL A 6 -3.762 1.188 6.867 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.504 -0.020 4.675 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.791 2.883 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.449 3.405 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.010 2.638 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.111 1.686 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.697 2.870 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.416 1.140 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.933 1.684 5.217 1.00 0.00 H new ATOM 86 N ASP A 7 -0.426 1.979 6.258 1.00 0.00 N ATOM 87 CA ASP A 7 0.983 2.249 6.609 1.00 0.00 C ATOM 88 C ASP A 7 1.634 1.085 7.366 1.00 0.00 C ATOM 89 O ASP A 7 2.726 0.648 7.060 1.00 0.00 O ATOM 90 CB ASP A 7 0.961 3.521 7.435 1.00 0.00 C ATOM 91 CG ASP A 7 2.385 3.876 7.814 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.171 3.919 6.885 1.00 0.00 O ATOM 93 OD2 ASP A 7 2.687 4.083 8.965 1.00 0.00 O ATOM 0 H ASP A 7 -1.070 2.722 6.530 1.00 0.00 H new ATOM 0 HA ASP A 7 1.592 2.365 5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.507 4.333 6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.355 3.380 8.330 1.00 0.00 H new ATOM 98 N SER A 8 0.923 0.599 8.333 1.00 0.00 N ATOM 99 CA SER A 8 1.425 -0.529 9.166 1.00 0.00 C ATOM 100 C SER A 8 1.959 -1.643 8.287 1.00 0.00 C ATOM 101 O SER A 8 2.908 -2.313 8.645 1.00 0.00 O ATOM 102 CB SER A 8 0.280 -1.060 10.040 1.00 0.00 C ATOM 103 OG SER A 8 0.796 -2.242 10.654 1.00 0.00 O ATOM 0 H SER A 8 -0.004 0.939 8.591 1.00 0.00 H new ATOM 0 HA SER A 8 2.237 -0.170 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.018 -0.325 10.788 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.603 -1.281 9.441 1.00 0.00 H new ATOM 0 HG SER A 8 0.110 -2.636 11.233 1.00 0.00 H new ATOM 109 N LYS A 9 1.296 -1.818 7.173 1.00 0.00 N ATOM 110 CA LYS A 9 1.650 -2.864 6.168 1.00 0.00 C ATOM 111 C LYS A 9 2.184 -2.324 4.792 1.00 0.00 C ATOM 112 O LYS A 9 2.496 -3.076 3.886 1.00 0.00 O ATOM 113 CB LYS A 9 0.355 -3.650 6.027 1.00 0.00 C ATOM 114 CG LYS A 9 -0.378 -4.013 7.361 1.00 0.00 C ATOM 115 CD LYS A 9 0.620 -4.517 8.415 1.00 0.00 C ATOM 116 CE LYS A 9 -0.031 -5.188 9.614 1.00 0.00 C ATOM 117 NZ LYS A 9 -0.741 -6.426 9.156 1.00 0.00 N ATOM 0 H LYS A 9 0.489 -1.253 6.909 1.00 0.00 H new ATOM 0 HA LYS A 9 2.498 -3.462 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.330 -3.074 5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.571 -4.575 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.904 -3.137 7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.130 -4.779 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.304 -5.223 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.220 -3.676 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.723 -5.441 10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.734 -4.506 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.878 -7.067 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.666 -6.168 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.172 -6.904 8.428 1.00 0.00 H new ATOM 131 N MET A 10 2.277 -1.031 4.674 1.00 0.00 N ATOM 132 CA MET A 10 2.761 -0.379 3.416 1.00 0.00 C ATOM 133 C MET A 10 3.980 0.457 3.630 1.00 0.00 C ATOM 134 O MET A 10 4.735 0.627 2.700 1.00 0.00 O ATOM 135 CB MET A 10 1.675 0.521 2.835 1.00 0.00 C ATOM 136 CG MET A 10 0.415 -0.312 2.556 1.00 0.00 C ATOM 137 SD MET A 10 0.213 -1.061 0.923 1.00 0.00 S ATOM 138 CE MET A 10 1.891 -1.566 0.459 1.00 0.00 C ATOM 0 H MET A 10 2.032 -0.376 5.416 1.00 0.00 H new ATOM 0 HA MET A 10 3.010 -1.190 2.732 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.444 1.327 3.532 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.027 0.987 1.915 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.379 -1.113 3.294 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.450 0.327 2.736 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.855 -2.143 -0.465 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.509 -0.681 0.310 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.319 -2.178 1.253 1.00 0.00 H new ATOM 148 N LYS A 11 4.133 0.972 4.817 1.00 0.00 N ATOM 149 CA LYS A 11 5.297 1.814 5.165 1.00 0.00 C ATOM 150 C LYS A 11 6.556 1.338 4.440 1.00 0.00 C ATOM 151 O LYS A 11 7.071 2.083 3.628 1.00 0.00 O ATOM 152 CB LYS A 11 5.472 1.764 6.699 1.00 0.00 C ATOM 153 CG LYS A 11 6.849 2.341 7.076 1.00 0.00 C ATOM 154 CD LYS A 11 7.037 3.836 6.634 1.00 0.00 C ATOM 155 CE LYS A 11 5.963 4.834 7.124 1.00 0.00 C ATOM 156 NZ LYS A 11 5.418 4.399 8.445 1.00 0.00 N ATOM 0 H LYS A 11 3.473 0.835 5.582 1.00 0.00 H new ATOM 0 HA LYS A 11 5.129 2.843 4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.681 2.335 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.387 0.736 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.983 2.269 8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.628 1.733 6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.009 4.178 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.065 3.870 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.395 5.831 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.157 4.899 6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.015 5.219 8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.676 3.686 8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.183 3.989 9.018 1.00 0.00 H new ATOM 170 N PRO A 12 7.024 0.133 4.721 1.00 0.00 N ATOM 171 CA PRO A 12 8.312 -0.366 4.178 1.00 0.00 C ATOM 172 C PRO A 12 8.252 -0.515 2.649 1.00 0.00 C ATOM 173 O PRO A 12 9.275 -0.591 1.997 1.00 0.00 O ATOM 174 CB PRO A 12 8.518 -1.670 4.911 1.00 0.00 C ATOM 175 CG PRO A 12 7.063 -2.175 5.067 1.00 0.00 C ATOM 176 CD PRO A 12 6.371 -0.922 5.575 1.00 0.00 C ATOM 0 HA PRO A 12 9.150 0.313 4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.134 -2.366 4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.007 -1.525 5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.644 -2.523 4.123 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.988 -3.002 5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.291 -0.960 5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.544 -0.757 6.638 1.00 0.00 H new ATOM 184 N CYS A 13 7.064 -0.521 2.099 1.00 0.00 N ATOM 185 CA CYS A 13 6.969 -0.678 0.615 1.00 0.00 C ATOM 186 C CYS A 13 7.037 0.729 0.049 1.00 0.00 C ATOM 187 O CYS A 13 7.802 1.041 -0.844 1.00 0.00 O ATOM 188 CB CYS A 13 5.660 -1.397 0.367 1.00 0.00 C ATOM 189 SG CYS A 13 5.555 -3.010 1.182 1.00 0.00 S ATOM 0 H CYS A 13 6.178 -0.427 2.596 1.00 0.00 H new ATOM 0 HA CYS A 13 7.759 -1.259 0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.839 -0.770 0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.527 -1.532 -0.706 1.00 0.00 H new ATOM 194 N LEU A 14 6.216 1.569 0.600 1.00 0.00 N ATOM 195 CA LEU A 14 6.179 2.984 0.169 1.00 0.00 C ATOM 196 C LEU A 14 7.653 3.416 0.235 1.00 0.00 C ATOM 197 O LEU A 14 8.269 3.717 -0.769 1.00 0.00 O ATOM 198 CB LEU A 14 5.290 3.740 1.161 1.00 0.00 C ATOM 199 CG LEU A 14 5.307 5.235 0.881 1.00 0.00 C ATOM 200 CD1 LEU A 14 5.316 5.562 -0.650 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.064 5.773 1.629 1.00 0.00 C ATOM 0 H LEU A 14 5.559 1.330 1.343 1.00 0.00 H new ATOM 0 HA LEU A 14 5.771 3.168 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.268 3.366 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.634 3.553 2.178 1.00 0.00 H new ATOM 0 HG LEU A 14 6.220 5.716 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.328 6.643 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.203 5.126 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.423 5.145 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.991 6.851 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.167 5.293 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.157 5.555 2.693 1.00 0.00 H new ATOM 213 N THR A 15 8.164 3.408 1.449 1.00 0.00 N ATOM 214 CA THR A 15 9.614 3.798 1.659 1.00 0.00 C ATOM 215 C THR A 15 10.408 3.115 0.551 1.00 0.00 C ATOM 216 O THR A 15 11.055 3.793 -0.219 1.00 0.00 O ATOM 217 CB THR A 15 10.156 3.303 3.011 1.00 0.00 C ATOM 218 OG1 THR A 15 9.693 1.972 3.051 1.00 0.00 O ATOM 219 CG2 THR A 15 9.467 3.985 4.168 1.00 0.00 C ATOM 0 H THR A 15 7.654 3.154 2.295 1.00 0.00 H new ATOM 0 HA THR A 15 9.702 4.884 1.645 1.00 0.00 H new ATOM 0 HB THR A 15 11.231 3.464 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.756 1.960 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.875 3.611 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.629 5.061 4.105 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.398 3.777 4.129 1.00 0.00 H new ATOM 227 N TYR A 16 10.350 1.803 0.494 1.00 0.00 N ATOM 228 CA TYR A 16 11.090 1.048 -0.579 1.00 0.00 C ATOM 229 C TYR A 16 11.068 1.789 -1.914 1.00 0.00 C ATOM 230 O TYR A 16 12.126 2.132 -2.401 1.00 0.00 O ATOM 231 CB TYR A 16 10.460 -0.353 -0.751 1.00 0.00 C ATOM 232 CG TYR A 16 11.098 -1.181 -1.877 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.459 -1.384 -1.964 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.280 -1.761 -2.823 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.978 -2.162 -2.984 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.813 -2.534 -3.837 1.00 0.00 C ATOM 237 CZ TYR A 16 12.158 -2.736 -3.915 1.00 0.00 C ATOM 238 OH TYR A 16 12.681 -3.525 -4.910 1.00 0.00 O ATOM 0 H TYR A 16 9.822 1.220 1.143 1.00 0.00 H new ATOM 0 HA TYR A 16 12.131 0.957 -0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.551 -0.900 0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.395 -0.241 -0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.120 -0.936 -1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.212 -1.610 -2.771 1.00 0.00 H new ATOM 0 HE1 TYR A 16 14.045 -2.318 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.160 -2.981 -4.572 1.00 0.00 H new ATOM 0 HH TYR A 16 11.956 -3.852 -5.483 1.00 0.00 H new ATOM 248 N VAL A 17 9.919 2.053 -2.493 1.00 0.00 N ATOM 249 CA VAL A 17 9.936 2.781 -3.817 1.00 0.00 C ATOM 250 C VAL A 17 10.620 4.122 -3.699 1.00 0.00 C ATOM 251 O VAL A 17 11.321 4.472 -4.627 1.00 0.00 O ATOM 252 CB VAL A 17 8.501 2.985 -4.389 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.685 1.748 -4.113 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.757 4.234 -3.946 1.00 0.00 C ATOM 0 H VAL A 17 8.998 1.809 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 17 10.498 2.151 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 17 8.641 3.150 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.678 1.880 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.154 0.889 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.632 1.579 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.773 4.257 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.643 4.224 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.321 5.118 -4.244 1.00 0.00 H new ATOM 264 N GLN A 18 10.429 4.852 -2.626 1.00 0.00 N ATOM 265 CA GLN A 18 11.150 6.155 -2.561 1.00 0.00 C ATOM 266 C GLN A 18 12.537 5.902 -1.880 1.00 0.00 C ATOM 267 O GLN A 18 13.191 6.830 -1.453 1.00 0.00 O ATOM 268 CB GLN A 18 10.235 7.197 -1.783 1.00 0.00 C ATOM 269 CG GLN A 18 9.651 6.555 -0.524 1.00 0.00 C ATOM 270 CD GLN A 18 8.801 7.445 0.378 1.00 0.00 C ATOM 271 OE1 GLN A 18 8.383 7.010 1.428 1.00 0.00 O ATOM 272 NE2 GLN A 18 8.498 8.660 0.061 1.00 0.00 N ATOM 0 H GLN A 18 9.835 4.616 -1.831 1.00 0.00 H new ATOM 0 HA GLN A 18 11.344 6.580 -3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.821 8.075 -1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.429 7.539 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.043 5.703 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.476 6.161 0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.834 9.057 -0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.923 9.222 0.688 1.00 0.00 H new ATOM 281 N GLY A 19 12.938 4.647 -1.789 1.00 0.00 N ATOM 282 CA GLY A 19 14.270 4.225 -1.187 1.00 0.00 C ATOM 283 C GLY A 19 14.341 2.992 -0.268 1.00 0.00 C ATOM 284 O GLY A 19 15.227 2.170 -0.416 1.00 0.00 O ATOM 0 H GLY A 19 12.377 3.862 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.960 4.054 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.654 5.074 -0.621 1.00 0.00 H new ATOM 288 N GLY A 20 13.419 2.912 0.653 1.00 0.00 N ATOM 289 CA GLY A 20 13.351 1.763 1.633 1.00 0.00 C ATOM 290 C GLY A 20 13.644 2.103 3.088 1.00 0.00 C ATOM 291 O GLY A 20 14.072 3.181 3.445 1.00 0.00 O ATOM 0 H GLY A 20 12.685 3.609 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.355 1.324 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.056 0.996 1.312 1.00 0.00 H new ATOM 295 N PRO A 21 13.382 1.122 3.910 1.00 0.00 N ATOM 296 CA PRO A 21 14.382 0.553 4.851 1.00 0.00 C ATOM 297 C PRO A 21 15.203 -0.636 4.276 1.00 0.00 C ATOM 298 O PRO A 21 16.371 -0.754 4.583 1.00 0.00 O ATOM 299 CB PRO A 21 13.513 0.191 6.038 1.00 0.00 C ATOM 300 CG PRO A 21 12.286 -0.436 5.326 1.00 0.00 C ATOM 301 CD PRO A 21 12.051 0.466 4.078 1.00 0.00 C ATOM 0 HA PRO A 21 15.186 1.247 5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.004 -0.513 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.243 1.064 6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.481 -1.469 5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.412 -0.446 5.978 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.771 -0.117 3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.256 1.193 4.245 1.00 0.00 H new ATOM 309 N GLY A 22 14.592 -1.479 3.472 1.00 0.00 N ATOM 310 CA GLY A 22 15.363 -2.663 2.896 1.00 0.00 C ATOM 311 C GLY A 22 15.275 -2.998 1.387 1.00 0.00 C ATOM 312 O GLY A 22 16.176 -2.665 0.645 1.00 0.00 O ATOM 0 H GLY A 22 13.615 -1.413 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.416 -2.506 3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.044 -3.551 3.442 1.00 0.00 H new ATOM 316 N PRO A 23 14.214 -3.652 0.960 1.00 0.00 N ATOM 317 CA PRO A 23 13.021 -4.028 1.774 1.00 0.00 C ATOM 318 C PRO A 23 13.230 -5.312 2.620 1.00 0.00 C ATOM 319 O PRO A 23 14.075 -6.147 2.354 1.00 0.00 O ATOM 320 CB PRO A 23 11.925 -4.154 0.717 1.00 0.00 C ATOM 321 CG PRO A 23 12.712 -4.828 -0.450 1.00 0.00 C ATOM 322 CD PRO A 23 14.085 -4.102 -0.448 1.00 0.00 C ATOM 0 HA PRO A 23 12.780 -3.296 2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.091 -4.766 1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.514 -3.186 0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.827 -5.900 -0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.197 -4.704 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.897 -4.770 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.101 -3.263 -1.144 1.00 0.00 H new ATOM 330 N SER A 24 12.398 -5.391 3.620 1.00 0.00 N ATOM 331 CA SER A 24 12.407 -6.536 4.589 1.00 0.00 C ATOM 332 C SER A 24 11.022 -7.205 4.676 1.00 0.00 C ATOM 333 O SER A 24 10.061 -6.682 4.143 1.00 0.00 O ATOM 334 CB SER A 24 12.818 -5.963 5.942 1.00 0.00 C ATOM 335 OG SER A 24 14.217 -5.703 5.818 1.00 0.00 O ATOM 0 H SER A 24 11.686 -4.688 3.816 1.00 0.00 H new ATOM 0 HA SER A 24 13.104 -7.308 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.265 -5.052 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.617 -6.669 6.748 1.00 0.00 H new ATOM 0 HG SER A 24 14.556 -5.327 6.657 1.00 0.00 H new ATOM 341 N GLY A 25 10.959 -8.342 5.339 1.00 0.00 N ATOM 342 CA GLY A 25 9.665 -9.127 5.527 1.00 0.00 C ATOM 343 C GLY A 25 8.411 -8.239 5.593 1.00 0.00 C ATOM 344 O GLY A 25 7.447 -8.447 4.880 1.00 0.00 O ATOM 0 H GLY A 25 11.771 -8.780 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.556 -9.835 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.735 -9.712 6.444 1.00 0.00 H new ATOM 348 N GLU A 26 8.528 -7.299 6.498 1.00 0.00 N ATOM 349 CA GLU A 26 7.499 -6.245 6.821 1.00 0.00 C ATOM 350 C GLU A 26 6.694 -5.777 5.607 1.00 0.00 C ATOM 351 O GLU A 26 5.486 -5.623 5.644 1.00 0.00 O ATOM 352 CB GLU A 26 8.259 -5.052 7.465 1.00 0.00 C ATOM 353 CG GLU A 26 9.429 -4.620 6.493 1.00 0.00 C ATOM 354 CD GLU A 26 10.405 -3.580 7.019 1.00 0.00 C ATOM 355 OE1 GLU A 26 10.490 -3.384 8.218 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.032 -3.046 6.123 1.00 0.00 O ATOM 0 H GLU A 26 9.365 -7.212 7.074 1.00 0.00 H new ATOM 0 HA GLU A 26 6.761 -6.673 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.579 -4.217 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.660 -5.339 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.995 -5.512 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.984 -4.236 5.575 1.00 0.00 H new ATOM 363 N CYS A 27 7.440 -5.575 4.551 1.00 0.00 N ATOM 364 CA CYS A 27 6.827 -5.113 3.289 1.00 0.00 C ATOM 365 C CYS A 27 6.089 -6.282 2.708 1.00 0.00 C ATOM 366 O CYS A 27 4.898 -6.217 2.595 1.00 0.00 O ATOM 367 CB CYS A 27 7.901 -4.653 2.319 1.00 0.00 C ATOM 368 SG CYS A 27 7.205 -4.095 0.741 1.00 0.00 S ATOM 0 H CYS A 27 8.450 -5.713 4.517 1.00 0.00 H new ATOM 0 HA CYS A 27 6.157 -4.273 3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.472 -3.841 2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.599 -5.471 2.138 1.00 0.00 H new ATOM 373 N CYS A 28 6.761 -7.339 2.359 1.00 0.00 N ATOM 374 CA CYS A 28 6.020 -8.511 1.779 1.00 0.00 C ATOM 375 C CYS A 28 4.774 -8.933 2.526 1.00 0.00 C ATOM 376 O CYS A 28 3.758 -9.159 1.898 1.00 0.00 O ATOM 377 CB CYS A 28 7.001 -9.631 1.685 1.00 0.00 C ATOM 378 SG CYS A 28 8.241 -9.200 0.453 1.00 0.00 S ATOM 0 H CYS A 28 7.771 -7.451 2.444 1.00 0.00 H new ATOM 0 HA CYS A 28 5.630 -8.213 0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.472 -9.804 2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.495 -10.556 1.406 1.00 0.00 H new ATOM 383 N ASN A 29 4.875 -9.022 3.828 1.00 0.00 N ATOM 384 CA ASN A 29 3.644 -9.426 4.577 1.00 0.00 C ATOM 385 C ASN A 29 2.713 -8.225 4.497 1.00 0.00 C ATOM 386 O ASN A 29 1.578 -8.387 4.108 1.00 0.00 O ATOM 387 CB ASN A 29 3.990 -9.786 6.063 1.00 0.00 C ATOM 388 CG ASN A 29 4.762 -8.728 6.826 1.00 0.00 C ATOM 389 OD1 ASN A 29 4.386 -7.596 7.022 1.00 0.00 O ATOM 390 ND2 ASN A 29 5.905 -9.060 7.311 1.00 0.00 N ATOM 0 H ASN A 29 5.711 -8.843 4.384 1.00 0.00 H new ATOM 0 HA ASN A 29 3.181 -10.317 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.061 -9.988 6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.569 -10.710 6.070 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.454 -8.379 7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.264 -10.005 7.171 1.00 0.00 H new ATOM 397 N GLY A 30 3.195 -7.068 4.852 1.00 0.00 N ATOM 398 CA GLY A 30 2.366 -5.839 4.801 1.00 0.00 C ATOM 399 C GLY A 30 1.504 -5.816 3.527 1.00 0.00 C ATOM 400 O GLY A 30 0.315 -5.597 3.558 1.00 0.00 O ATOM 0 H GLY A 30 4.149 -6.923 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.724 -5.791 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.009 -4.959 4.827 1.00 0.00 H new ATOM 404 N VAL A 31 2.211 -6.064 2.466 1.00 0.00 N ATOM 405 CA VAL A 31 1.768 -6.146 1.040 1.00 0.00 C ATOM 406 C VAL A 31 0.788 -7.294 0.778 1.00 0.00 C ATOM 407 O VAL A 31 -0.342 -7.060 0.417 1.00 0.00 O ATOM 408 CB VAL A 31 3.093 -6.284 0.244 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.975 -6.942 -1.111 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.640 -4.901 0.008 1.00 0.00 C ATOM 0 H VAL A 31 3.213 -6.236 2.546 1.00 0.00 H new ATOM 0 HA VAL A 31 1.196 -5.268 0.738 1.00 0.00 H new ATOM 0 HB VAL A 31 3.731 -6.926 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.958 -6.987 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.583 -7.952 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.299 -6.362 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.573 -4.969 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.918 -4.316 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.825 -4.415 0.966 1.00 0.00 H new ATOM 420 N ARG A 32 1.244 -8.505 0.959 1.00 0.00 N ATOM 421 CA ARG A 32 0.423 -9.731 0.745 1.00 0.00 C ATOM 422 C ARG A 32 -0.853 -9.582 1.560 1.00 0.00 C ATOM 423 O ARG A 32 -1.961 -9.675 1.056 1.00 0.00 O ATOM 424 CB ARG A 32 1.275 -10.923 1.207 1.00 0.00 C ATOM 425 CG ARG A 32 0.816 -12.201 0.480 1.00 0.00 C ATOM 426 CD ARG A 32 -0.656 -12.534 0.803 1.00 0.00 C ATOM 427 NE ARG A 32 -0.756 -12.961 2.245 1.00 0.00 N ATOM 428 CZ ARG A 32 -1.224 -14.119 2.494 1.00 0.00 C ATOM 429 NH1 ARG A 32 -2.474 -14.228 2.634 1.00 0.00 N ATOM 430 NH2 ARG A 32 -0.409 -15.079 2.573 1.00 0.00 N ATOM 0 H ARG A 32 2.198 -8.701 1.261 1.00 0.00 H new ATOM 0 HA ARG A 32 0.140 -9.884 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.328 -10.733 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.182 -11.053 2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.934 -12.072 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.452 -13.036 0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.287 -11.664 0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.015 -13.329 0.149 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.458 -12.341 2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.071 -13.405 2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.887 -15.139 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.589 -14.914 2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.748 -16.021 2.771 1.00 0.00 H new ATOM 444 N ASP A 33 -0.644 -9.350 2.830 1.00 0.00 N ATOM 445 CA ASP A 33 -1.820 -9.181 3.704 1.00 0.00 C ATOM 446 C ASP A 33 -2.573 -8.024 3.062 1.00 0.00 C ATOM 447 O ASP A 33 -3.655 -8.323 2.623 1.00 0.00 O ATOM 448 CB ASP A 33 -1.264 -8.940 5.114 1.00 0.00 C ATOM 449 CG ASP A 33 -0.873 -10.332 5.602 1.00 0.00 C ATOM 450 OD1 ASP A 33 0.064 -10.905 5.057 1.00 0.00 O ATOM 451 OD2 ASP A 33 -1.588 -10.731 6.504 1.00 0.00 O ATOM 0 H ASP A 33 0.267 -9.273 3.282 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.513 -10.017 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.406 -8.268 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.011 -8.484 5.765 1.00 0.00 H new ATOM 456 N LEU A 34 -2.088 -6.805 2.981 1.00 0.00 N ATOM 457 CA LEU A 34 -2.860 -5.702 2.324 1.00 0.00 C ATOM 458 C LEU A 34 -3.715 -6.287 1.175 1.00 0.00 C ATOM 459 O LEU A 34 -4.915 -6.114 1.189 1.00 0.00 O ATOM 460 CB LEU A 34 -1.796 -4.672 1.859 1.00 0.00 C ATOM 461 CG LEU A 34 -1.588 -3.403 2.759 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.369 -2.197 2.208 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.146 -3.577 4.156 1.00 0.00 C ATOM 0 H LEU A 34 -1.178 -6.526 3.348 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.571 -5.208 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.840 -5.188 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.065 -4.336 0.858 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.508 -3.253 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.206 -1.333 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.023 -1.969 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.433 -2.434 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.973 -2.668 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.217 -3.772 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.650 -4.416 4.644 1.00 0.00 H new ATOM 475 N HIS A 35 -3.095 -6.959 0.226 1.00 0.00 N ATOM 476 CA HIS A 35 -3.833 -7.581 -0.939 1.00 0.00 C ATOM 477 C HIS A 35 -5.076 -8.344 -0.407 1.00 0.00 C ATOM 478 O HIS A 35 -6.164 -8.184 -0.924 1.00 0.00 O ATOM 479 CB HIS A 35 -2.782 -8.499 -1.701 1.00 0.00 C ATOM 480 CG HIS A 35 -3.362 -9.321 -2.872 1.00 0.00 C ATOM 481 ND1 HIS A 35 -2.674 -10.038 -3.709 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.670 -9.502 -3.287 1.00 0.00 C ATOM 483 CE1 HIS A 35 -3.481 -10.608 -4.553 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.728 -10.302 -4.327 1.00 0.00 N ATOM 0 H HIS A 35 -2.086 -7.108 0.207 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.221 -6.847 -1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.980 -7.867 -2.083 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.333 -9.185 -0.983 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.659 -10.138 -3.704 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.529 -9.046 -2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.156 -11.260 -5.350 1.00 0.00 H new ATOM 492 N ASN A 36 -4.960 -9.158 0.607 1.00 0.00 N ATOM 493 CA ASN A 36 -6.194 -9.882 1.116 1.00 0.00 C ATOM 494 C ASN A 36 -6.835 -9.182 2.354 1.00 0.00 C ATOM 495 O ASN A 36 -7.856 -9.611 2.857 1.00 0.00 O ATOM 496 CB ASN A 36 -5.801 -11.332 1.470 1.00 0.00 C ATOM 497 CG ASN A 36 -4.778 -11.402 2.579 1.00 0.00 C ATOM 498 OD1 ASN A 36 -3.644 -11.755 2.361 1.00 0.00 O ATOM 499 ND2 ASN A 36 -5.082 -11.100 3.794 1.00 0.00 N ATOM 0 H ASN A 36 -4.093 -9.360 1.105 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.946 -9.866 0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.693 -11.884 1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.403 -11.824 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.376 -11.164 4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.029 -10.797 4.023 1.00 0.00 H new ATOM 506 N GLN A 37 -6.218 -8.123 2.810 1.00 0.00 N ATOM 507 CA GLN A 37 -6.712 -7.331 3.998 1.00 0.00 C ATOM 508 C GLN A 37 -7.682 -6.250 3.553 1.00 0.00 C ATOM 509 O GLN A 37 -8.755 -6.082 4.095 1.00 0.00 O ATOM 510 CB GLN A 37 -5.557 -6.601 4.704 1.00 0.00 C ATOM 511 CG GLN A 37 -4.583 -7.518 5.435 1.00 0.00 C ATOM 512 CD GLN A 37 -5.117 -7.866 6.816 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.635 -7.071 7.571 1.00 0.00 O ATOM 514 NE2 GLN A 37 -4.995 -9.089 7.190 1.00 0.00 N ATOM 0 H GLN A 37 -5.360 -7.755 2.398 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.187 -8.047 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.005 -6.021 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.975 -5.892 5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.429 -8.429 4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.613 -7.030 5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.562 -9.772 6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.331 -9.377 8.109 1.00 0.00 H new ATOM 523 N ALA A 38 -7.245 -5.560 2.540 1.00 0.00 N ATOM 524 CA ALA A 38 -7.970 -4.438 1.907 1.00 0.00 C ATOM 525 C ALA A 38 -9.075 -4.976 0.981 1.00 0.00 C ATOM 526 O ALA A 38 -9.232 -4.560 -0.151 1.00 0.00 O ATOM 527 CB ALA A 38 -6.863 -3.640 1.178 1.00 0.00 C ATOM 0 H ALA A 38 -6.345 -5.750 2.099 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.500 -3.793 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.306 -2.781 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.126 -3.295 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.377 -4.281 0.443 1.00 0.00 H new ATOM 533 N GLN A 39 -9.806 -5.917 1.513 1.00 0.00 N ATOM 534 CA GLN A 39 -10.934 -6.547 0.754 1.00 0.00 C ATOM 535 C GLN A 39 -12.194 -6.425 1.631 1.00 0.00 C ATOM 536 O GLN A 39 -13.162 -7.143 1.477 1.00 0.00 O ATOM 537 CB GLN A 39 -10.542 -8.036 0.459 1.00 0.00 C ATOM 538 CG GLN A 39 -11.582 -8.634 -0.551 1.00 0.00 C ATOM 539 CD GLN A 39 -11.011 -9.835 -1.311 1.00 0.00 C ATOM 540 OE1 GLN A 39 -10.420 -10.736 -0.762 1.00 0.00 O ATOM 541 NE2 GLN A 39 -11.154 -9.916 -2.593 1.00 0.00 N ATOM 0 H GLN A 39 -9.671 -6.284 2.455 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.133 -6.062 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.536 -8.087 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.534 -8.616 1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.479 -8.938 -0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.883 -7.864 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.646 -9.179 -3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.775 -10.717 -3.099 1.00 0.00 H new ATOM 550 N SER A 40 -12.099 -5.493 2.544 1.00 0.00 N ATOM 551 CA SER A 40 -13.179 -5.155 3.527 1.00 0.00 C ATOM 552 C SER A 40 -13.150 -3.652 3.868 1.00 0.00 C ATOM 553 O SER A 40 -12.158 -2.985 3.649 1.00 0.00 O ATOM 554 CB SER A 40 -12.990 -5.938 4.833 1.00 0.00 C ATOM 555 OG SER A 40 -14.030 -5.425 5.672 1.00 0.00 O ATOM 0 H SER A 40 -11.264 -4.917 2.654 1.00 0.00 H new ATOM 0 HA SER A 40 -14.131 -5.419 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.091 -7.012 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.004 -5.770 5.265 1.00 0.00 H new ATOM 0 HG SER A 40 -13.996 -5.870 6.545 1.00 0.00 H new ATOM 561 N SER A 41 -14.269 -3.235 4.406 1.00 0.00 N ATOM 562 CA SER A 41 -14.566 -1.830 4.860 1.00 0.00 C ATOM 563 C SER A 41 -13.376 -0.842 4.978 1.00 0.00 C ATOM 564 O SER A 41 -13.033 -0.383 6.048 1.00 0.00 O ATOM 565 CB SER A 41 -15.330 -1.951 6.231 1.00 0.00 C ATOM 566 OG SER A 41 -14.790 -3.047 6.976 1.00 0.00 O ATOM 0 H SER A 41 -15.055 -3.866 4.562 1.00 0.00 H new ATOM 0 HA SER A 41 -15.155 -1.371 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.231 -1.026 6.799 1.00 0.00 H new ATOM 0 HB3 SER A 41 -16.395 -2.105 6.055 1.00 0.00 H new ATOM 0 HG SER A 41 -14.718 -3.833 6.396 1.00 0.00 H new ATOM 572 N GLY A 42 -12.798 -0.546 3.844 1.00 0.00 N ATOM 573 CA GLY A 42 -11.612 0.394 3.715 1.00 0.00 C ATOM 574 C GLY A 42 -10.558 -0.395 2.924 1.00 0.00 C ATOM 575 O GLY A 42 -9.402 -0.554 3.269 1.00 0.00 O ATOM 0 H GLY A 42 -13.106 -0.931 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.890 1.310 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.233 0.686 4.694 1.00 0.00 H new ATOM 579 N ASP A 43 -11.079 -0.864 1.835 1.00 0.00 N ATOM 580 CA ASP A 43 -10.392 -1.689 0.816 1.00 0.00 C ATOM 581 C ASP A 43 -9.338 -0.929 -0.006 1.00 0.00 C ATOM 582 O ASP A 43 -8.928 0.186 0.275 1.00 0.00 O ATOM 583 CB ASP A 43 -11.506 -2.253 -0.100 1.00 0.00 C ATOM 584 CG ASP A 43 -12.782 -2.674 0.648 1.00 0.00 C ATOM 585 OD1 ASP A 43 -13.444 -1.809 1.212 1.00 0.00 O ATOM 586 OD2 ASP A 43 -12.982 -3.868 0.587 1.00 0.00 O ATOM 0 H ASP A 43 -12.054 -0.687 1.592 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.824 -2.474 1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.766 -1.500 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.115 -3.114 -0.642 1.00 0.00 H new ATOM 591 N ARG A 44 -8.890 -1.574 -1.049 1.00 0.00 N ATOM 592 CA ARG A 44 -7.878 -0.938 -1.933 1.00 0.00 C ATOM 593 C ARG A 44 -8.278 0.538 -2.152 1.00 0.00 C ATOM 594 O ARG A 44 -7.543 1.434 -1.844 1.00 0.00 O ATOM 595 CB ARG A 44 -7.841 -1.612 -3.292 1.00 0.00 C ATOM 596 CG ARG A 44 -8.465 -2.998 -3.399 1.00 0.00 C ATOM 597 CD ARG A 44 -7.706 -4.063 -2.641 1.00 0.00 C ATOM 598 NE ARG A 44 -8.493 -5.295 -2.963 1.00 0.00 N ATOM 599 CZ ARG A 44 -8.094 -6.447 -2.624 1.00 0.00 C ATOM 600 NH1 ARG A 44 -8.195 -6.772 -1.413 1.00 0.00 N ATOM 601 NH2 ARG A 44 -7.630 -7.145 -3.564 1.00 0.00 N ATOM 0 H ARG A 44 -9.182 -2.512 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.900 -1.027 -1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.343 -0.959 -4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.799 -1.685 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.488 -2.957 -3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.521 -3.282 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.671 -4.141 -2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.682 -3.863 -1.570 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.374 -5.203 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.589 -6.115 -0.740 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.883 -7.693 -1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.598 -6.768 -4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.286 -8.087 -3.378 1.00 0.00 H new ATOM 615 N GLN A 45 -9.454 0.771 -2.666 1.00 0.00 N ATOM 616 CA GLN A 45 -9.965 2.170 -2.936 1.00 0.00 C ATOM 617 C GLN A 45 -9.714 3.240 -1.820 1.00 0.00 C ATOM 618 O GLN A 45 -9.820 4.429 -2.034 1.00 0.00 O ATOM 619 CB GLN A 45 -11.465 1.998 -3.293 1.00 0.00 C ATOM 620 CG GLN A 45 -11.414 1.236 -4.687 1.00 0.00 C ATOM 621 CD GLN A 45 -12.737 1.145 -5.427 1.00 0.00 C ATOM 622 OE1 GLN A 45 -13.340 2.098 -5.863 1.00 0.00 O ATOM 623 NE2 GLN A 45 -13.216 -0.036 -5.590 1.00 0.00 N ATOM 0 H GLN A 45 -10.111 0.034 -2.922 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.386 2.604 -3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.997 1.421 -2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.973 2.959 -3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.691 1.738 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.042 0.226 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.713 -0.845 -5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.099 -0.164 -6.084 1.00 0.00 H new ATOM 632 N THR A 46 -9.373 2.775 -0.651 1.00 0.00 N ATOM 633 CA THR A 46 -9.070 3.629 0.554 1.00 0.00 C ATOM 634 C THR A 46 -7.548 3.765 0.474 1.00 0.00 C ATOM 635 O THR A 46 -6.967 4.841 0.547 1.00 0.00 O ATOM 636 CB THR A 46 -9.473 2.886 1.848 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.871 3.091 1.977 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.961 3.595 3.063 1.00 0.00 C ATOM 0 H THR A 46 -9.285 1.776 -0.464 1.00 0.00 H new ATOM 0 HA THR A 46 -9.600 4.582 0.568 1.00 0.00 H new ATOM 0 HB THR A 46 -9.115 1.858 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.073 3.405 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.261 3.048 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.873 3.652 3.020 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.376 4.602 3.098 1.00 0.00 H new ATOM 646 N VAL A 47 -6.933 2.615 0.317 1.00 0.00 N ATOM 647 CA VAL A 47 -5.434 2.602 0.205 1.00 0.00 C ATOM 648 C VAL A 47 -5.103 3.621 -0.927 1.00 0.00 C ATOM 649 O VAL A 47 -4.192 4.407 -0.804 1.00 0.00 O ATOM 650 CB VAL A 47 -4.970 1.151 -0.149 1.00 0.00 C ATOM 651 CG1 VAL A 47 -4.626 0.941 -1.625 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.722 0.809 0.646 1.00 0.00 C ATOM 0 H VAL A 47 -7.389 1.704 0.262 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.922 2.880 1.126 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.818 0.511 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.314 -0.091 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.503 1.153 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.815 1.612 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.399 -0.202 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.928 1.514 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.942 0.870 1.712 1.00 0.00 H new ATOM 662 N CYS A 48 -5.866 3.550 -1.994 1.00 0.00 N ATOM 663 CA CYS A 48 -5.747 4.435 -3.205 1.00 0.00 C ATOM 664 C CYS A 48 -5.396 5.836 -2.702 1.00 0.00 C ATOM 665 O CYS A 48 -4.324 6.335 -2.934 1.00 0.00 O ATOM 666 CB CYS A 48 -7.088 4.440 -3.934 1.00 0.00 C ATOM 667 SG CYS A 48 -7.874 6.061 -4.071 1.00 0.00 S ATOM 0 H CYS A 48 -6.618 2.866 -2.078 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.980 4.086 -3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.941 4.038 -4.936 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -7.769 3.765 -3.416 1.00 0.00 H new ATOM 672 N ASN A 49 -6.353 6.407 -2.029 1.00 0.00 N ATOM 673 CA ASN A 49 -6.234 7.761 -1.427 1.00 0.00 C ATOM 674 C ASN A 49 -4.900 7.844 -0.656 1.00 0.00 C ATOM 675 O ASN A 49 -4.178 8.818 -0.812 1.00 0.00 O ATOM 676 CB ASN A 49 -7.508 7.922 -0.568 1.00 0.00 C ATOM 677 CG ASN A 49 -8.654 8.068 -1.572 1.00 0.00 C ATOM 678 OD1 ASN A 49 -9.489 7.112 -1.799 1.00 0.00 O flip ATOM 679 ND2 ASN A 49 -8.820 9.085 -2.208 1.00 0.00 N flip ATOM 0 H ASN A 49 -7.258 5.966 -1.865 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.190 8.585 -2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.659 7.057 0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.438 8.796 0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.193 9.878 -2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.587 9.148 -2.877 1.00 0.00 H new ATOM 686 N CYS A 50 -4.593 6.841 0.134 1.00 0.00 N ATOM 687 CA CYS A 50 -3.285 6.930 0.870 1.00 0.00 C ATOM 688 C CYS A 50 -2.127 7.027 -0.189 1.00 0.00 C ATOM 689 O CYS A 50 -1.183 7.783 -0.042 1.00 0.00 O ATOM 690 CB CYS A 50 -3.186 5.676 1.785 1.00 0.00 C ATOM 691 SG CYS A 50 -4.581 5.413 2.915 1.00 0.00 S ATOM 0 H CYS A 50 -5.155 6.006 0.298 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.208 7.814 1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.084 4.794 1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.273 5.751 2.376 1.00 0.00 H new ATOM 696 N LEU A 51 -2.234 6.262 -1.249 1.00 0.00 N ATOM 697 CA LEU A 51 -1.203 6.255 -2.353 1.00 0.00 C ATOM 698 C LEU A 51 -1.214 7.718 -2.825 1.00 0.00 C ATOM 699 O LEU A 51 -0.249 8.426 -2.625 1.00 0.00 O ATOM 700 CB LEU A 51 -1.662 5.228 -3.460 1.00 0.00 C ATOM 701 CG LEU A 51 -2.209 3.873 -2.891 1.00 0.00 C ATOM 702 CD1 LEU A 51 -2.065 2.772 -3.911 1.00 0.00 C ATOM 703 CD2 LEU A 51 -1.553 3.413 -1.609 1.00 0.00 C ATOM 0 H LEU A 51 -3.013 5.622 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.198 5.942 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.436 5.692 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.819 5.019 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.255 4.076 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.450 1.840 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.628 3.031 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.013 2.648 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.996 2.469 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.485 3.275 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.705 4.163 -0.833 1.00 0.00 H new ATOM 715 N LYS A 52 -2.322 8.090 -3.398 1.00 0.00 N ATOM 716 CA LYS A 52 -2.598 9.461 -3.926 1.00 0.00 C ATOM 717 C LYS A 52 -1.932 10.562 -3.070 1.00 0.00 C ATOM 718 O LYS A 52 -1.321 11.491 -3.572 1.00 0.00 O ATOM 719 CB LYS A 52 -4.141 9.629 -3.935 1.00 0.00 C ATOM 720 CG LYS A 52 -4.758 9.494 -5.340 1.00 0.00 C ATOM 721 CD LYS A 52 -4.482 10.809 -6.106 1.00 0.00 C ATOM 722 CE LYS A 52 -3.762 10.559 -7.419 1.00 0.00 C ATOM 723 NZ LYS A 52 -4.592 9.734 -8.341 1.00 0.00 N ATOM 0 H LYS A 52 -3.106 7.451 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.178 9.568 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.585 8.882 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.396 10.607 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.323 8.646 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.830 9.310 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.425 11.320 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.882 11.473 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.524 11.511 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.816 10.054 -7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.015 8.961 -8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.399 9.335 -7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.943 10.329 -9.119 1.00 0.00 H new ATOM 737 N GLY A 53 -2.071 10.404 -1.774 1.00 0.00 N ATOM 738 CA GLY A 53 -1.493 11.402 -0.821 1.00 0.00 C ATOM 739 C GLY A 53 -0.016 11.245 -0.619 1.00 0.00 C ATOM 740 O GLY A 53 0.626 12.273 -0.606 1.00 0.00 O ATOM 0 H GLY A 53 -2.561 9.624 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.697 12.407 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.996 11.308 0.141 1.00 0.00 H new ATOM 744 N ILE A 54 0.543 10.078 -0.454 1.00 0.00 N ATOM 745 CA ILE A 54 2.037 10.107 -0.282 1.00 0.00 C ATOM 746 C ILE A 54 2.596 10.557 -1.623 1.00 0.00 C ATOM 747 O ILE A 54 3.456 11.420 -1.689 1.00 0.00 O ATOM 748 CB ILE A 54 2.626 8.725 0.029 1.00 0.00 C ATOM 749 CG1 ILE A 54 4.154 8.995 0.412 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.627 7.722 -1.153 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.414 9.222 1.922 1.00 0.00 C ATOM 0 H ILE A 54 0.082 9.168 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 54 2.291 10.762 0.551 1.00 0.00 H new ATOM 0 HB ILE A 54 2.012 8.272 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.753 8.148 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.503 9.869 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.064 6.777 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.603 7.553 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.215 8.130 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.477 9.397 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.847 10.088 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.101 8.341 2.482 1.00 0.00 H new ATOM 763 N ALA A 55 2.052 9.920 -2.638 1.00 0.00 N ATOM 764 CA ALA A 55 2.424 10.174 -4.056 1.00 0.00 C ATOM 765 C ALA A 55 2.634 11.667 -4.174 1.00 0.00 C ATOM 766 O ALA A 55 3.711 12.108 -4.512 1.00 0.00 O ATOM 767 CB ALA A 55 1.293 9.656 -4.929 1.00 0.00 C ATOM 0 H ALA A 55 1.334 9.204 -2.526 1.00 0.00 H new ATOM 0 HA ALA A 55 3.335 9.668 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.535 9.828 -5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.161 8.588 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.371 10.181 -4.679 1.00 0.00 H new ATOM 773 N ARG A 56 1.567 12.356 -3.870 1.00 0.00 N ATOM 774 CA ARG A 56 1.516 13.837 -3.895 1.00 0.00 C ATOM 775 C ARG A 56 2.912 14.533 -3.859 1.00 0.00 C ATOM 776 O ARG A 56 3.205 15.346 -4.708 1.00 0.00 O ATOM 777 CB ARG A 56 0.647 14.247 -2.715 1.00 0.00 C ATOM 778 CG ARG A 56 0.177 15.677 -2.962 1.00 0.00 C ATOM 779 CD ARG A 56 -0.885 16.029 -1.921 1.00 0.00 C ATOM 780 NE ARG A 56 -1.483 17.377 -2.251 1.00 0.00 N ATOM 781 CZ ARG A 56 -1.103 18.098 -3.236 1.00 0.00 C ATOM 782 NH1 ARG A 56 -1.609 17.877 -4.378 1.00 0.00 N ATOM 783 NH2 ARG A 56 -0.236 18.992 -2.999 1.00 0.00 N ATOM 0 H ARG A 56 0.686 11.923 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 56 1.098 14.168 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.206 13.575 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.211 14.185 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.017 16.368 -2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.233 15.772 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.664 15.267 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.442 16.049 -0.925 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.231 17.731 -1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.302 17.138 -4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.323 18.438 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.128 19.112 -2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.098 19.592 -3.754 1.00 0.00 H new ATOM 797 N GLY A 57 3.720 14.197 -2.882 1.00 0.00 N ATOM 798 CA GLY A 57 5.108 14.790 -2.722 1.00 0.00 C ATOM 799 C GLY A 57 6.154 13.708 -2.411 1.00 0.00 C ATOM 800 O GLY A 57 7.155 13.944 -1.757 1.00 0.00 O ATOM 0 H GLY A 57 3.477 13.517 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.387 15.315 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.098 15.528 -1.920 1.00 0.00 H new ATOM 804 N ILE A 58 5.894 12.528 -2.902 1.00 0.00 N ATOM 805 CA ILE A 58 6.797 11.357 -2.694 1.00 0.00 C ATOM 806 C ILE A 58 8.199 11.584 -2.230 1.00 0.00 C ATOM 807 O ILE A 58 8.517 11.107 -1.162 1.00 0.00 O ATOM 808 CB ILE A 58 6.838 10.535 -4.004 1.00 0.00 C ATOM 809 CG1 ILE A 58 5.666 9.589 -3.859 1.00 0.00 C ATOM 810 CG2 ILE A 58 8.204 9.748 -4.213 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.073 8.378 -3.006 1.00 0.00 C ATOM 0 H ILE A 58 5.065 12.319 -3.458 1.00 0.00 H new ATOM 0 HA ILE A 58 6.344 10.847 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 58 6.775 11.174 -4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.826 10.106 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.332 9.257 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.164 9.193 -5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.031 10.457 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.354 9.054 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.224 7.702 -2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.899 7.855 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.385 8.717 -2.018 1.00 0.00 H new ATOM 823 N HIS A 59 8.910 12.294 -3.079 1.00 0.00 N ATOM 824 CA HIS A 59 10.352 12.696 -2.938 1.00 0.00 C ATOM 825 C HIS A 59 11.205 12.241 -4.150 1.00 0.00 C ATOM 826 O HIS A 59 11.702 13.060 -4.896 1.00 0.00 O ATOM 827 CB HIS A 59 10.958 12.076 -1.641 1.00 0.00 C ATOM 828 CG HIS A 59 10.698 13.030 -0.462 1.00 0.00 C ATOM 829 ND1 HIS A 59 9.621 13.715 -0.254 1.00 0.00 N ATOM 830 CD2 HIS A 59 11.517 13.370 0.604 1.00 0.00 C ATOM 831 CE1 HIS A 59 9.748 14.414 0.830 1.00 0.00 C ATOM 832 NE2 HIS A 59 10.912 14.230 1.398 1.00 0.00 N ATOM 0 H HIS A 59 8.502 12.642 -3.947 1.00 0.00 H new ATOM 0 HA HIS A 59 10.375 13.785 -2.888 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.509 11.102 -1.444 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.029 11.914 -1.766 1.00 0.00 H new ATOM 0 HD1 HIS A 59 8.796 13.706 -0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.513 12.983 0.762 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.983 15.071 1.218 1.00 0.00 H new ATOM 840 N ASN A 60 11.337 10.942 -4.302 1.00 0.00 N ATOM 841 CA ASN A 60 12.152 10.373 -5.437 1.00 0.00 C ATOM 842 C ASN A 60 11.556 9.256 -6.354 1.00 0.00 C ATOM 843 O ASN A 60 11.737 9.320 -7.551 1.00 0.00 O ATOM 844 CB ASN A 60 13.472 9.917 -4.749 1.00 0.00 C ATOM 845 CG ASN A 60 14.564 9.572 -5.749 1.00 0.00 C ATOM 846 OD1 ASN A 60 14.595 8.519 -6.341 1.00 0.00 O ATOM 847 ND2 ASN A 60 15.506 10.418 -5.992 1.00 0.00 N ATOM 0 H ASN A 60 10.915 10.245 -3.688 1.00 0.00 H new ATOM 0 HA ASN A 60 12.243 11.155 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.826 10.709 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.270 9.048 -4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.239 10.186 -6.662 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.518 11.319 -5.514 1.00 0.00 H new ATOM 854 N LEU A 61 10.866 8.291 -5.789 1.00 0.00 N ATOM 855 CA LEU A 61 10.240 7.126 -6.531 1.00 0.00 C ATOM 856 C LEU A 61 11.106 6.368 -7.580 1.00 0.00 C ATOM 857 O LEU A 61 11.395 6.836 -8.659 1.00 0.00 O ATOM 858 CB LEU A 61 8.965 7.633 -7.207 1.00 0.00 C ATOM 859 CG LEU A 61 8.312 6.579 -8.106 1.00 0.00 C ATOM 860 CD1 LEU A 61 8.023 5.298 -7.299 1.00 0.00 C ATOM 861 CD2 LEU A 61 6.982 7.188 -8.503 1.00 0.00 C ATOM 0 H LEU A 61 10.699 8.257 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 61 10.074 6.373 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.253 7.944 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.200 8.516 -7.801 1.00 0.00 H new ATOM 0 HG LEU A 61 8.949 6.321 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.559 4.556 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.957 4.900 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.349 5.531 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.444 6.496 -9.152 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.389 7.382 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.155 8.124 -9.034 1.00 0.00 H new ATOM 873 N ASN A 62 11.484 5.174 -7.238 1.00 0.00 N ATOM 874 CA ASN A 62 12.325 4.317 -8.127 1.00 0.00 C ATOM 875 C ASN A 62 11.431 3.277 -8.830 1.00 0.00 C ATOM 876 O ASN A 62 11.830 2.140 -8.977 1.00 0.00 O ATOM 877 CB ASN A 62 13.345 3.731 -7.147 1.00 0.00 C ATOM 878 CG ASN A 62 14.479 2.944 -7.767 1.00 0.00 C ATOM 879 OD1 ASN A 62 14.551 2.692 -9.030 1.00 0.00 O flip ATOM 880 ND2 ASN A 62 15.370 2.522 -7.069 1.00 0.00 N flip ATOM 0 H ASN A 62 11.239 4.737 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 62 12.828 4.827 -8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.771 4.548 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.817 3.082 -6.448 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.357 2.696 -6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.136 1.992 -7.485 1.00 0.00 H new ATOM 887 N LEU A 63 10.262 3.715 -9.237 1.00 0.00 N ATOM 888 CA LEU A 63 9.201 2.892 -9.937 1.00 0.00 C ATOM 889 C LEU A 63 9.552 1.410 -10.244 1.00 0.00 C ATOM 890 O LEU A 63 8.858 0.508 -9.820 1.00 0.00 O ATOM 891 CB LEU A 63 8.834 3.627 -11.260 1.00 0.00 C ATOM 892 CG LEU A 63 7.374 3.392 -11.760 1.00 0.00 C ATOM 893 CD1 LEU A 63 7.008 1.917 -11.974 1.00 0.00 C ATOM 894 CD2 LEU A 63 6.405 3.929 -10.720 1.00 0.00 C ATOM 0 H LEU A 63 9.976 4.685 -9.103 1.00 0.00 H new ATOM 0 HA LEU A 63 8.371 2.818 -9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.986 4.697 -11.118 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.525 3.307 -12.040 1.00 0.00 H new ATOM 0 HG LEU A 63 7.308 3.900 -12.722 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.977 1.845 -12.321 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.673 1.481 -12.719 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.113 1.376 -11.034 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.382 3.770 -11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.559 3.407 -9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.578 4.996 -10.578 1.00 0.00 H new ATOM 906 N ASN A 64 10.613 1.194 -10.970 1.00 0.00 N ATOM 907 CA ASN A 64 11.070 -0.197 -11.341 1.00 0.00 C ATOM 908 C ASN A 64 10.977 -1.110 -10.092 1.00 0.00 C ATOM 909 O ASN A 64 10.496 -2.223 -10.118 1.00 0.00 O ATOM 910 CB ASN A 64 12.533 -0.109 -11.849 1.00 0.00 C ATOM 911 CG ASN A 64 12.738 1.188 -12.628 1.00 0.00 C ATOM 912 OD1 ASN A 64 12.761 2.258 -12.060 1.00 0.00 O ATOM 913 ND2 ASN A 64 12.885 1.166 -13.911 1.00 0.00 N ATOM 0 H ASN A 64 11.206 1.938 -11.337 1.00 0.00 H new ATOM 0 HA ASN A 64 10.441 -0.618 -12.125 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.223 -0.149 -11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.758 -0.965 -12.486 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.017 2.038 -14.424 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.869 0.277 -14.411 1.00 0.00 H new ATOM 920 N ASN A 65 11.449 -0.575 -9.001 1.00 0.00 N ATOM 921 CA ASN A 65 11.437 -1.311 -7.708 1.00 0.00 C ATOM 922 C ASN A 65 9.965 -1.505 -7.286 1.00 0.00 C ATOM 923 O ASN A 65 9.575 -2.586 -6.888 1.00 0.00 O ATOM 924 CB ASN A 65 12.304 -0.434 -6.728 1.00 0.00 C ATOM 925 CG ASN A 65 11.585 0.106 -5.492 1.00 0.00 C ATOM 926 OD1 ASN A 65 10.390 0.228 -5.360 1.00 0.00 O ATOM 927 ND2 ASN A 65 12.240 0.498 -4.471 1.00 0.00 N ATOM 0 H ASN A 65 11.851 0.361 -8.951 1.00 0.00 H new ATOM 0 HA ASN A 65 11.865 -2.313 -7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.155 -1.029 -6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.705 0.411 -7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.746 0.867 -3.659 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.259 0.443 -4.467 1.00 0.00 H new ATOM 934 N ALA A 66 9.179 -0.468 -7.397 1.00 0.00 N ATOM 935 CA ALA A 66 7.746 -0.580 -6.999 1.00 0.00 C ATOM 936 C ALA A 66 7.105 -1.748 -7.798 1.00 0.00 C ATOM 937 O ALA A 66 6.498 -2.646 -7.243 1.00 0.00 O ATOM 938 CB ALA A 66 7.092 0.796 -7.296 1.00 0.00 C ATOM 0 H ALA A 66 9.465 0.447 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 66 7.608 -0.808 -5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.038 0.765 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.596 1.571 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.183 1.020 -8.359 1.00 0.00 H new ATOM 944 N ALA A 67 7.294 -1.694 -9.095 1.00 0.00 N ATOM 945 CA ALA A 67 6.754 -2.741 -10.027 1.00 0.00 C ATOM 946 C ALA A 67 7.373 -4.114 -9.735 1.00 0.00 C ATOM 947 O ALA A 67 6.962 -5.116 -10.282 1.00 0.00 O ATOM 948 CB ALA A 67 7.062 -2.307 -11.479 1.00 0.00 C ATOM 0 H ALA A 67 7.813 -0.949 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 67 5.677 -2.834 -9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.677 -3.055 -12.172 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.586 -1.347 -11.681 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.140 -2.212 -11.609 1.00 0.00 H new ATOM 954 N SER A 68 8.345 -4.117 -8.873 1.00 0.00 N ATOM 955 CA SER A 68 9.042 -5.367 -8.478 1.00 0.00 C ATOM 956 C SER A 68 8.526 -5.807 -7.107 1.00 0.00 C ATOM 957 O SER A 68 8.778 -6.944 -6.740 1.00 0.00 O ATOM 958 CB SER A 68 10.551 -5.088 -8.437 1.00 0.00 C ATOM 959 OG SER A 68 11.132 -6.317 -8.018 1.00 0.00 O ATOM 0 H SER A 68 8.696 -3.278 -8.411 1.00 0.00 H new ATOM 0 HA SER A 68 8.850 -6.167 -9.193 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.925 -4.786 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.786 -4.281 -7.743 1.00 0.00 H new ATOM 0 HG SER A 68 10.466 -6.843 -7.528 1.00 0.00 H new ATOM 965 N ILE A 69 7.827 -4.940 -6.399 1.00 0.00 N ATOM 966 CA ILE A 69 7.309 -5.356 -5.046 1.00 0.00 C ATOM 967 C ILE A 69 6.450 -6.614 -5.233 1.00 0.00 C ATOM 968 O ILE A 69 6.699 -7.595 -4.560 1.00 0.00 O ATOM 969 CB ILE A 69 6.438 -4.194 -4.362 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.287 -3.234 -3.459 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.281 -4.802 -3.485 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.831 -3.950 -2.189 1.00 0.00 C ATOM 0 H ILE A 69 7.598 -3.989 -6.688 1.00 0.00 H new ATOM 0 HA ILE A 69 8.153 -5.556 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 69 6.030 -3.612 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.122 -2.838 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.675 -2.383 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.705 -3.995 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.627 -5.406 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.709 -5.427 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.413 -3.245 -1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.996 -4.322 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.466 -4.785 -2.486 1.00 0.00 H new ATOM 984 N PRO A 70 5.474 -6.607 -6.120 1.00 0.00 N ATOM 985 CA PRO A 70 4.539 -7.759 -6.236 1.00 0.00 C ATOM 986 C PRO A 70 5.250 -9.087 -6.314 1.00 0.00 C ATOM 987 O PRO A 70 4.903 -10.026 -5.618 1.00 0.00 O ATOM 988 CB PRO A 70 3.711 -7.466 -7.484 1.00 0.00 C ATOM 989 CG PRO A 70 3.666 -5.938 -7.462 1.00 0.00 C ATOM 990 CD PRO A 70 5.124 -5.542 -7.107 1.00 0.00 C ATOM 0 HA PRO A 70 3.914 -7.855 -5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.181 -7.850 -8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.716 -7.907 -7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.362 -5.531 -8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.957 -5.567 -6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.779 -5.555 -7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.187 -4.543 -6.676 1.00 0.00 H new ATOM 998 N SER A 71 6.230 -9.080 -7.176 1.00 0.00 N ATOM 999 CA SER A 71 7.062 -10.285 -7.413 1.00 0.00 C ATOM 1000 C SER A 71 7.842 -10.602 -6.139 1.00 0.00 C ATOM 1001 O SER A 71 7.618 -11.604 -5.484 1.00 0.00 O ATOM 1002 CB SER A 71 8.016 -9.977 -8.594 1.00 0.00 C ATOM 1003 OG SER A 71 7.137 -9.635 -9.663 1.00 0.00 O ATOM 0 H SER A 71 6.491 -8.269 -7.737 1.00 0.00 H new ATOM 0 HA SER A 71 6.451 -11.152 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.694 -9.158 -8.357 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.633 -10.840 -8.845 1.00 0.00 H new ATOM 0 HG SER A 71 7.662 -9.420 -10.462 1.00 0.00 H new ATOM 1009 N LYS A 72 8.726 -9.700 -5.793 1.00 0.00 N ATOM 1010 CA LYS A 72 9.590 -9.852 -4.585 1.00 0.00 C ATOM 1011 C LYS A 72 8.824 -10.309 -3.332 1.00 0.00 C ATOM 1012 O LYS A 72 9.365 -10.993 -2.483 1.00 0.00 O ATOM 1013 CB LYS A 72 10.270 -8.488 -4.392 1.00 0.00 C ATOM 1014 CG LYS A 72 11.455 -8.609 -3.386 1.00 0.00 C ATOM 1015 CD LYS A 72 11.222 -7.623 -2.220 1.00 0.00 C ATOM 1016 CE LYS A 72 10.088 -8.089 -1.327 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.483 -9.395 -0.706 1.00 0.00 N ATOM 0 H LYS A 72 8.888 -8.839 -6.315 1.00 0.00 H new ATOM 0 HA LYS A 72 10.319 -10.648 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.634 -8.117 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.545 -7.762 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.527 -9.629 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.398 -8.387 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.135 -7.528 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.993 -6.634 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.884 -7.348 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.172 -8.206 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.849 -9.606 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.412 -10.152 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.463 -9.334 -0.362 1.00 0.00 H new ATOM 1031 N CYS A 73 7.592 -9.897 -3.241 1.00 0.00 N ATOM 1032 CA CYS A 73 6.735 -10.272 -2.078 1.00 0.00 C ATOM 1033 C CYS A 73 5.680 -11.386 -2.214 1.00 0.00 C ATOM 1034 O CYS A 73 4.855 -11.531 -1.335 1.00 0.00 O ATOM 1035 CB CYS A 73 6.108 -8.966 -1.645 1.00 0.00 C ATOM 1036 SG CYS A 73 7.273 -7.897 -0.766 1.00 0.00 S ATOM 0 H CYS A 73 7.133 -9.306 -3.934 1.00 0.00 H new ATOM 0 HA CYS A 73 7.389 -10.759 -1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.728 -8.441 -2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.253 -9.173 -1.002 1.00 0.00 H new ATOM 1041 N ASN A 74 5.703 -12.157 -3.265 1.00 0.00 N ATOM 1042 CA ASN A 74 4.686 -13.260 -3.423 1.00 0.00 C ATOM 1043 C ASN A 74 3.244 -12.762 -3.126 1.00 0.00 C ATOM 1044 O ASN A 74 2.493 -13.358 -2.382 1.00 0.00 O ATOM 1045 CB ASN A 74 5.112 -14.412 -2.446 1.00 0.00 C ATOM 1046 CG ASN A 74 4.093 -15.551 -2.447 1.00 0.00 C ATOM 1047 OD1 ASN A 74 3.769 -16.136 -3.455 1.00 0.00 O ATOM 1048 ND2 ASN A 74 3.546 -15.917 -1.335 1.00 0.00 N ATOM 0 H ASN A 74 6.377 -12.079 -4.026 1.00 0.00 H new ATOM 0 HA ASN A 74 4.666 -13.616 -4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.089 -14.796 -2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.215 -14.015 -1.436 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.865 -16.677 -1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.795 -15.446 -0.465 1.00 0.00 H new ATOM 1055 N VAL A 75 2.895 -11.657 -3.716 1.00 0.00 N ATOM 1056 CA VAL A 75 1.508 -11.055 -3.520 1.00 0.00 C ATOM 1057 C VAL A 75 0.795 -10.955 -4.884 1.00 0.00 C ATOM 1058 O VAL A 75 -0.325 -10.491 -4.967 1.00 0.00 O ATOM 1059 CB VAL A 75 1.687 -9.619 -2.841 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.819 -8.947 -3.599 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.512 -8.643 -2.966 1.00 0.00 C ATOM 0 H VAL A 75 3.504 -11.124 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 75 0.893 -11.680 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 75 1.828 -9.810 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.996 -7.955 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.725 -9.546 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.550 -8.858 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.761 -7.708 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.312 -8.447 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.374 -9.079 -2.503 1.00 0.00 H new ATOM 1071 N ASN A 76 1.510 -11.431 -5.872 1.00 0.00 N ATOM 1072 CA ASN A 76 1.141 -11.480 -7.321 1.00 0.00 C ATOM 1073 C ASN A 76 0.558 -10.157 -7.879 1.00 0.00 C ATOM 1074 O ASN A 76 1.251 -9.509 -8.633 1.00 0.00 O ATOM 1075 CB ASN A 76 0.163 -12.714 -7.506 1.00 0.00 C ATOM 1076 CG ASN A 76 -1.146 -12.636 -6.740 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -2.069 -11.962 -7.133 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -1.303 -13.292 -5.638 1.00 0.00 N ATOM 0 H ASN A 76 2.434 -11.829 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 76 2.045 -11.611 -7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.064 -12.819 -8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.688 -13.619 -7.201 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.185 -13.231 -5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.545 -13.871 -5.277 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.640 -9.802 -7.511 1.00 0.00 N ATOM 1086 CA VAL A 77 -1.352 -8.558 -7.958 1.00 0.00 C ATOM 1087 C VAL A 77 -0.561 -7.420 -8.707 1.00 0.00 C ATOM 1088 O VAL A 77 0.006 -6.497 -8.143 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.083 -8.048 -6.652 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -1.336 -6.985 -5.822 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -3.482 -7.555 -7.033 1.00 0.00 C ATOM 0 H VAL A 77 -1.198 -10.365 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.007 -8.834 -8.784 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.125 -8.907 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.936 -6.715 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.379 -7.388 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.165 -6.100 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.998 -7.200 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.397 -6.740 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.048 -8.374 -7.478 1.00 0.00 H new ATOM 1101 N PRO A 78 -0.546 -7.512 -10.019 1.00 0.00 N ATOM 1102 CA PRO A 78 -0.325 -6.316 -10.883 1.00 0.00 C ATOM 1103 C PRO A 78 -1.451 -5.268 -10.673 1.00 0.00 C ATOM 1104 O PRO A 78 -2.281 -5.044 -11.531 1.00 0.00 O ATOM 1105 CB PRO A 78 -0.252 -6.926 -12.303 1.00 0.00 C ATOM 1106 CG PRO A 78 0.170 -8.398 -12.030 1.00 0.00 C ATOM 1107 CD PRO A 78 -0.703 -8.757 -10.823 1.00 0.00 C ATOM 0 HA PRO A 78 0.578 -5.747 -10.661 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.212 -6.870 -12.816 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.475 -6.407 -12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.028 -9.045 -12.884 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.233 -8.483 -11.805 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.740 -8.948 -11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.345 -9.642 -10.297 1.00 0.00 H new ATOM 1115 N TYR A 79 -1.454 -4.660 -9.520 1.00 0.00 N ATOM 1116 CA TYR A 79 -2.490 -3.621 -9.195 1.00 0.00 C ATOM 1117 C TYR A 79 -1.835 -2.261 -8.983 1.00 0.00 C ATOM 1118 O TYR A 79 -0.748 -2.233 -8.445 1.00 0.00 O ATOM 1119 CB TYR A 79 -3.230 -4.079 -7.905 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.202 -3.040 -6.768 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -2.035 -2.719 -6.081 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -4.363 -2.401 -6.429 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -2.047 -1.766 -5.075 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -4.365 -1.477 -5.436 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.228 -1.151 -4.764 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.300 -0.175 -3.812 1.00 0.00 O ATOM 0 H TYR A 79 -0.778 -4.836 -8.776 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.196 -3.518 -10.019 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.267 -4.304 -8.153 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.779 -5.005 -7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.111 -3.217 -6.334 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.279 -2.632 -6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.140 -1.514 -4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.291 -0.988 -5.173 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.614 -0.332 -3.130 1.00 0.00 H new ATOM 1136 N THR A 80 -2.466 -1.185 -9.379 1.00 0.00 N ATOM 1137 CA THR A 80 -1.840 0.170 -9.157 1.00 0.00 C ATOM 1138 C THR A 80 -0.482 0.452 -9.806 1.00 0.00 C ATOM 1139 O THR A 80 -0.372 1.138 -10.808 1.00 0.00 O ATOM 1140 CB THR A 80 -1.715 0.368 -7.609 1.00 0.00 C ATOM 1141 OG1 THR A 80 -3.045 0.559 -7.132 1.00 0.00 O ATOM 1142 CG2 THR A 80 -0.874 1.549 -7.099 1.00 0.00 C ATOM 0 H THR A 80 -3.375 -1.176 -9.841 1.00 0.00 H new ATOM 0 HA THR A 80 -2.503 0.875 -9.659 1.00 0.00 H new ATOM 0 HB THR A 80 -1.187 -0.512 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.365 -0.269 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.881 1.556 -6.009 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.151 1.446 -7.455 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.295 2.483 -7.471 1.00 0.00 H new ATOM 1150 N ILE A 81 0.507 -0.126 -9.170 1.00 0.00 N ATOM 1151 CA ILE A 81 1.960 -0.039 -9.532 1.00 0.00 C ATOM 1152 C ILE A 81 2.315 1.302 -10.268 1.00 0.00 C ATOM 1153 O ILE A 81 3.202 1.351 -11.096 1.00 0.00 O ATOM 1154 CB ILE A 81 2.267 -1.253 -10.431 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.692 -2.643 -10.007 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.809 -1.410 -10.524 1.00 0.00 C ATOM 1157 CD1 ILE A 81 2.060 -3.081 -8.576 1.00 0.00 C ATOM 0 H ILE A 81 0.348 -0.703 -8.344 1.00 0.00 H new ATOM 0 HA ILE A 81 2.567 -0.048 -8.627 1.00 0.00 H new ATOM 0 HB ILE A 81 1.765 -1.014 -11.368 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.606 -2.615 -10.096 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.050 -3.398 -10.707 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.050 -2.264 -11.156 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.241 -0.507 -10.954 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.219 -1.569 -9.527 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.618 -4.056 -8.369 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.144 -3.146 -8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.678 -2.351 -7.862 1.00 0.00 H new ATOM 1169 N SER A 82 1.615 2.360 -9.944 1.00 0.00 N ATOM 1170 CA SER A 82 1.890 3.674 -10.613 1.00 0.00 C ATOM 1171 C SER A 82 1.864 4.888 -9.688 1.00 0.00 C ATOM 1172 O SER A 82 1.203 4.907 -8.663 1.00 0.00 O ATOM 1173 CB SER A 82 0.859 3.862 -11.746 1.00 0.00 C ATOM 1174 OG SER A 82 1.175 2.779 -12.607 1.00 0.00 O ATOM 0 H SER A 82 0.868 2.374 -9.249 1.00 0.00 H new ATOM 0 HA SER A 82 2.913 3.626 -10.987 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.166 3.808 -11.379 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.969 4.826 -12.243 1.00 0.00 H new ATOM 0 HG SER A 82 0.714 1.971 -12.299 1.00 0.00 H new ATOM 1180 N PRO A 83 2.583 5.907 -10.107 1.00 0.00 N ATOM 1181 CA PRO A 83 3.139 6.928 -9.178 1.00 0.00 C ATOM 1182 C PRO A 83 2.025 7.614 -8.388 1.00 0.00 C ATOM 1183 O PRO A 83 2.093 7.701 -7.180 1.00 0.00 O ATOM 1184 CB PRO A 83 3.926 7.880 -10.100 1.00 0.00 C ATOM 1185 CG PRO A 83 4.252 7.008 -11.332 1.00 0.00 C ATOM 1186 CD PRO A 83 2.956 6.219 -11.526 1.00 0.00 C ATOM 0 HA PRO A 83 3.787 6.512 -8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.334 8.754 -10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.832 8.247 -9.618 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.494 7.613 -12.206 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.104 6.352 -11.152 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.190 6.806 -12.032 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.109 5.317 -12.118 1.00 0.00 H new ATOM 1194 N ASP A 84 1.057 8.060 -9.147 1.00 0.00 N ATOM 1195 CA ASP A 84 -0.138 8.770 -8.589 1.00 0.00 C ATOM 1196 C ASP A 84 -1.427 8.066 -9.099 1.00 0.00 C ATOM 1197 O ASP A 84 -2.409 8.686 -9.453 1.00 0.00 O ATOM 1198 CB ASP A 84 0.040 10.232 -9.071 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.935 11.204 -8.420 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -0.899 11.238 -7.203 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -1.663 11.856 -9.150 1.00 0.00 O ATOM 0 H ASP A 84 1.044 7.959 -10.162 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.228 8.752 -7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.059 10.555 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.089 10.269 -10.153 1.00 0.00 H new ATOM 1206 N ILE A 85 -1.333 6.765 -9.094 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.418 5.813 -9.536 1.00 0.00 C ATOM 1208 C ILE A 85 -3.874 6.345 -9.688 1.00 0.00 C ATOM 1209 O ILE A 85 -4.359 7.219 -8.988 1.00 0.00 O ATOM 1210 CB ILE A 85 -2.338 4.613 -8.529 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.251 3.399 -8.912 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -2.606 5.091 -7.061 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -4.710 3.545 -8.521 1.00 0.00 C ATOM 0 H ILE A 85 -0.490 6.283 -8.780 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.213 5.556 -10.575 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.316 4.238 -8.593 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.193 3.246 -9.990 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.852 2.501 -8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.544 4.239 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.860 5.834 -6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.600 5.533 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.260 2.655 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.787 3.664 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.133 4.421 -9.014 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.547 5.743 -10.635 1.00 0.00 N ATOM 1226 CA ASP A 86 -5.964 6.082 -10.983 1.00 0.00 C ATOM 1227 C ASP A 86 -6.993 5.454 -9.972 1.00 0.00 C ATOM 1228 O ASP A 86 -7.914 4.723 -10.290 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.125 5.577 -12.447 1.00 0.00 C ATOM 1230 CG ASP A 86 -4.809 5.584 -13.232 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -4.087 4.601 -13.108 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -4.615 6.572 -13.893 1.00 0.00 O ATOM 0 H ASP A 86 -4.154 4.996 -11.208 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.176 7.149 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.528 4.564 -12.434 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.853 6.203 -12.963 1.00 0.00 H new ATOM 1237 N CYS A 87 -6.738 5.804 -8.740 1.00 0.00 N ATOM 1238 CA CYS A 87 -7.496 5.402 -7.505 1.00 0.00 C ATOM 1239 C CYS A 87 -8.789 4.555 -7.443 1.00 0.00 C ATOM 1240 O CYS A 87 -9.003 3.857 -6.470 1.00 0.00 O ATOM 1241 CB CYS A 87 -7.732 6.714 -6.764 1.00 0.00 C ATOM 1242 SG CYS A 87 -6.660 7.020 -5.359 1.00 0.00 S ATOM 0 H CYS A 87 -5.953 6.416 -8.519 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.843 4.624 -7.109 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.616 7.535 -7.471 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.766 6.734 -6.419 1.00 0.00 H new ATOM 1247 N SER A 88 -9.612 4.605 -8.446 1.00 0.00 N ATOM 1248 CA SER A 88 -10.901 3.834 -8.475 1.00 0.00 C ATOM 1249 C SER A 88 -10.870 2.611 -9.398 1.00 0.00 C ATOM 1250 O SER A 88 -11.738 1.765 -9.300 1.00 0.00 O ATOM 1251 CB SER A 88 -12.000 4.833 -8.907 1.00 0.00 C ATOM 1252 OG SER A 88 -13.232 4.120 -8.958 1.00 0.00 O ATOM 0 H SER A 88 -9.446 5.166 -9.281 1.00 0.00 H new ATOM 0 HA SER A 88 -11.094 3.420 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.065 5.660 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.766 5.263 -9.881 1.00 0.00 H new ATOM 0 HG SER A 88 -13.053 3.157 -8.956 1.00 0.00 H new ATOM 1258 N ARG A 89 -9.886 2.525 -10.255 1.00 0.00 N ATOM 1259 CA ARG A 89 -9.787 1.357 -11.203 1.00 0.00 C ATOM 1260 C ARG A 89 -8.778 0.291 -10.699 1.00 0.00 C ATOM 1261 O ARG A 89 -7.735 0.012 -11.273 1.00 0.00 O ATOM 1262 CB ARG A 89 -9.375 1.903 -12.595 1.00 0.00 C ATOM 1263 CG ARG A 89 -8.053 2.678 -12.483 1.00 0.00 C ATOM 1264 CD ARG A 89 -7.261 2.558 -13.779 1.00 0.00 C ATOM 1265 NE ARG A 89 -5.822 2.569 -13.352 1.00 0.00 N ATOM 1266 CZ ARG A 89 -5.061 1.557 -13.468 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -5.488 0.411 -13.104 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -3.903 1.787 -13.948 1.00 0.00 N ATOM 0 H ARG A 89 -9.139 3.214 -10.345 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.753 0.857 -11.267 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.265 1.079 -13.300 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.157 2.555 -12.985 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.255 3.727 -12.268 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.465 2.290 -11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.509 1.639 -14.310 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.480 3.385 -14.454 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.438 3.425 -12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.430 0.315 -12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.887 -0.409 -13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.639 2.737 -14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.240 1.022 -14.069 1.00 0.00 H new ATOM 1282 N ILE A 90 -9.216 -0.223 -9.582 1.00 0.00 N ATOM 1283 CA ILE A 90 -8.518 -1.298 -8.779 1.00 0.00 C ATOM 1284 C ILE A 90 -9.399 -2.556 -8.484 1.00 0.00 C ATOM 1285 O ILE A 90 -10.550 -2.625 -8.870 1.00 0.00 O ATOM 1286 CB ILE A 90 -8.057 -0.554 -7.541 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.934 0.435 -7.991 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -7.729 -1.469 -6.369 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -6.040 0.803 -6.882 1.00 0.00 C ATOM 0 H ILE A 90 -10.093 0.076 -9.157 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.691 -1.754 -9.323 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.867 0.036 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.350 -0.021 -8.790 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.389 1.336 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.406 -0.869 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.616 -2.041 -6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.930 -2.153 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.276 1.491 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.618 1.284 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.562 -0.094 -6.487 1.00 0.00 H new ATOM 1301 N TYR A 91 -8.833 -3.531 -7.815 1.00 0.00 N ATOM 1302 CA TYR A 91 -9.574 -4.785 -7.464 1.00 0.00 C ATOM 1303 C TYR A 91 -9.302 -5.083 -5.958 1.00 0.00 C ATOM 1304 O TYR A 91 -10.201 -4.939 -5.138 1.00 0.00 O ATOM 1305 CB TYR A 91 -9.052 -5.945 -8.377 1.00 0.00 C ATOM 1306 CG TYR A 91 -8.915 -5.490 -9.841 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -7.851 -4.688 -10.213 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -9.835 -5.861 -10.801 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -7.712 -4.263 -11.515 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -9.691 -5.432 -12.109 1.00 0.00 C ATOM 1311 CZ TYR A 91 -8.629 -4.634 -12.461 1.00 0.00 C ATOM 1312 OH TYR A 91 -8.468 -4.198 -13.756 1.00 0.00 O ATOM 1313 OXT TYR A 91 -8.169 -5.443 -5.685 1.00 0.00 O ATOM 0 H TYR A 91 -7.866 -3.510 -7.490 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.648 -4.683 -7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.086 -6.292 -8.010 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.737 -6.791 -8.320 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.121 -4.392 -9.474 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.671 -6.489 -10.530 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.877 -3.635 -11.791 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.415 -5.725 -12.855 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.197 -4.545 -14.311 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 N1A COA A 92 1.204 13.711 5.770 1.00 0.00 N HETATM 1325 C2A COA A 92 0.894 13.446 7.044 1.00 0.00 C HETATM 1326 N3A COA A 92 1.333 12.423 7.788 1.00 0.00 N HETATM 1327 C4A COA A 92 2.182 11.602 7.103 1.00 0.00 C HETATM 1328 C5A COA A 92 2.578 11.759 5.793 1.00 0.00 C HETATM 1329 C6A COA A 92 2.043 12.882 5.124 1.00 0.00 C HETATM 1330 N6A COA A 92 2.335 13.165 3.860 1.00 0.00 N HETATM 1331 N7A COA A 92 3.416 10.726 5.393 1.00 0.00 N HETATM 1332 C8A COA A 92 3.497 9.984 6.459 1.00 0.00 C HETATM 1333 N9A COA A 92 2.790 10.438 7.543 1.00 0.00 N HETATM 1334 C1B COA A 92 2.753 9.759 8.883 1.00 0.00 C HETATM 1335 C2B COA A 92 2.354 10.629 10.089 1.00 0.00 C HETATM 1336 O2B COA A 92 3.518 11.054 10.821 1.00 0.00 O HETATM 1337 C3B COA A 92 1.583 9.598 10.930 1.00 0.00 C HETATM 1338 O3B COA A 92 2.631 8.786 11.596 1.00 0.00 O HETATM 1339 P3B COA A 92 2.532 7.432 12.500 1.00 0.00 P HETATM 1340 O7A COA A 92 1.560 7.785 13.557 1.00 0.00 O HETATM 1341 O8A COA A 92 2.061 6.411 11.540 1.00 0.00 O HETATM 1342 O9A COA A 92 3.934 7.274 12.970 1.00 0.00 O HETATM 1343 C4B COA A 92 0.779 8.883 9.802 1.00 0.00 C HETATM 1344 O4B COA A 92 1.760 8.739 8.751 1.00 0.00 O HETATM 1345 C5B COA A 92 -0.405 9.716 9.162 1.00 0.00 C HETATM 1346 O5B COA A 92 -1.749 9.567 9.705 1.00 0.00 O HETATM 1347 P1A COA A 92 -2.862 10.751 9.739 1.00 0.00 P HETATM 1348 O1A COA A 92 -2.530 11.609 10.892 1.00 0.00 O HETATM 1349 O2A COA A 92 -4.217 10.146 9.654 1.00 0.00 O HETATM 1350 O3A COA A 92 -2.571 11.613 8.467 1.00 0.00 O HETATM 1351 P2A COA A 92 -3.186 10.974 7.198 1.00 0.00 P HETATM 1352 O4A COA A 92 -4.520 11.566 6.961 1.00 0.00 O HETATM 1353 O5A COA A 92 -3.140 9.501 7.261 1.00 0.00 O HETATM 1354 O6A COA A 92 -2.194 11.432 6.036 1.00 0.00 O HETATM 1355 CBP COA A 92 -1.396 9.881 4.161 1.00 0.00 C HETATM 1356 CCP COA A 92 -2.364 11.026 4.659 1.00 0.00 C HETATM 1357 CDP COA A 92 -1.504 8.543 4.937 1.00 0.00 C HETATM 1358 CEP COA A 92 -1.691 9.551 2.734 1.00 0.00 C HETATM 1359 CAP COA A 92 0.029 10.384 4.224 1.00 0.00 C HETATM 1360 OAP COA A 92 0.192 10.625 5.613 1.00 0.00 O HETATM 1361 C9P COA A 92 1.071 9.411 3.686 1.00 0.00 C HETATM 1362 O9P COA A 92 1.538 9.558 2.578 1.00 0.00 O HETATM 1363 N8P COA A 92 1.377 8.438 4.494 1.00 0.00 N HETATM 1364 C7P COA A 92 2.392 7.388 4.147 1.00 0.00 C HETATM 1365 C6P COA A 92 1.996 5.953 4.572 1.00 0.00 C HETATM 1366 C5P COA A 92 1.691 5.001 3.453 1.00 0.00 C HETATM 1367 O5P COA A 92 2.326 3.968 3.355 1.00 0.00 O HETATM 1368 N4P COA A 92 0.750 5.361 2.638 1.00 0.00 N HETATM 1369 C3P COA A 92 0.398 4.466 1.512 1.00 0.00 C HETATM 1370 C2P COA A 92 0.889 5.137 0.303 1.00 0.00 C HETATM 1371 S1P COA A 92 2.366 4.364 -0.425 1.00 0.00 S HETATM 0 HO2A COA A 92 3.872 10.301 11.339 1.00 0.00 H new HETATM 0 H62A COA A 92 2.967 12.561 3.335 1.00 0.00 H new HETATM 0 H61A COA A 92 1.927 13.986 3.414 1.00 0.00 H new HETATM 0 H52A COA A 92 -0.138 10.771 9.229 1.00 0.00 H new HETATM 0 H51A COA A 92 -0.449 9.465 8.102 1.00 0.00 H new HETATM 0 H143 COA A 92 -2.723 9.213 2.645 1.00 0.00 H new HETATM 0 H142 COA A 92 -1.545 10.438 2.118 1.00 0.00 H new HETATM 0 H141 COA A 92 -1.020 8.761 2.397 1.00 0.00 H new HETATM 0 H133 COA A 92 -1.270 8.712 5.988 1.00 0.00 H new HETATM 0 H132 COA A 92 -2.518 8.152 4.849 1.00 0.00 H new HETATM 0 H131 COA A 92 -0.800 7.823 4.520 1.00 0.00 H new HETATM 0 H122 COA A 92 -3.393 10.693 4.521 1.00 0.00 H new HETATM 0 H121 COA A 92 -2.224 11.899 4.021 1.00 0.00 H new HETATM 0 HO1 COA A 92 -0.662 10.912 5.998 1.00 0.00 H new HETATM 0 HN8 COA A 92 0.909 8.387 5.399 1.00 0.00 H new HETATM 0 HN4 COA A 92 0.260 6.246 2.770 1.00 0.00 H new HETATM 0 H8A COA A 92 4.085 9.067 6.488 1.00 0.00 H new HETATM 0 H72 COA A 92 2.558 7.402 3.070 1.00 0.00 H new HETATM 0 H71 COA A 92 3.340 7.646 4.619 1.00 0.00 H new HETATM 0 H62 COA A 92 2.806 5.535 5.169 1.00 0.00 H new HETATM 0 H61 COA A 92 1.122 6.015 5.220 1.00 0.00 H new HETATM 0 H4B COA A 92 0.325 7.983 10.217 1.00 0.00 H new HETATM 0 H3B COA A 92 0.913 9.923 11.726 1.00 0.00 H new HETATM 0 H32 COA A 92 0.861 3.486 1.631 1.00 0.00 H new HETATM 0 H31 COA A 92 -0.679 4.306 1.461 1.00 0.00 H new HETATM 0 H2B COA A 92 1.808 11.535 9.827 1.00 0.00 H new HETATM 0 H2A COA A 92 0.208 14.140 7.530 1.00 0.00 H new HETATM 0 H22 COA A 92 0.093 5.149 -0.442 1.00 0.00 H new HETATM 0 H21 COA A 92 1.116 6.176 0.543 1.00 0.00 H new HETATM 0 H1B COA A 92 3.768 9.428 9.102 1.00 0.00 H new HETATM 0 H10 COA A 92 0.185 11.256 3.589 1.00 0.00 H new HETATM 1403 C1 PLM A 96 1.844 3.630 -1.991 1.00 0.00 C HETATM 1404 O1 PLM A 96 1.398 4.301 -2.899 1.00 0.00 O HETATM 1405 C2 PLM A 96 1.998 2.086 -2.121 1.00 0.00 C HETATM 1406 C3 PLM A 96 1.121 1.222 -1.264 1.00 0.00 C HETATM 1407 C4 PLM A 96 1.067 -0.172 -1.893 1.00 0.00 C HETATM 1408 C5 PLM A 96 0.612 -0.281 -3.350 1.00 0.00 C HETATM 1409 C6 PLM A 96 1.710 -0.057 -4.438 1.00 0.00 C HETATM 1410 C7 PLM A 96 3.095 -0.601 -3.964 1.00 0.00 C HETATM 1411 C8 PLM A 96 4.054 -0.742 -5.130 1.00 0.00 C HETATM 1412 C9 PLM A 96 3.503 -1.688 -6.198 1.00 0.00 C HETATM 1413 CA PLM A 96 3.107 -3.094 -5.635 1.00 0.00 C HETATM 1414 CB PLM A 96 1.664 -3.190 -5.072 1.00 0.00 C HETATM 1415 CC PLM A 96 1.306 -4.667 -4.713 1.00 0.00 C HETATM 1416 CD PLM A 96 0.054 -4.679 -3.783 1.00 0.00 C HETATM 1417 CE PLM A 96 0.454 -4.245 -2.358 1.00 0.00 C HETATM 1418 CF PLM A 96 -0.746 -3.684 -1.557 1.00 0.00 C HETATM 1419 CG PLM A 96 -1.899 -4.712 -1.452 1.00 0.00 C HETATM 0 HG3 PLM A 96 -2.247 -4.972 -2.452 1.00 0.00 H new HETATM 0 HG2 PLM A 96 -1.541 -5.610 -0.948 1.00 0.00 H new HETATM 0 HG1 PLM A 96 -2.722 -4.279 -0.883 1.00 0.00 H new HETATM 0 HF2 PLM A 96 -0.416 -3.404 -0.556 1.00 0.00 H new HETATM 0 HF1 PLM A 96 -1.111 -2.776 -2.037 1.00 0.00 H new HETATM 0 HE2 PLM A 96 0.877 -5.097 -1.826 1.00 0.00 H new HETATM 0 HE1 PLM A 96 1.235 -3.487 -2.417 1.00 0.00 H new HETATM 0 HD2 PLM A 96 -0.709 -4.007 -4.177 1.00 0.00 H new HETATM 0 HD1 PLM A 96 -0.383 -5.677 -3.759 1.00 0.00 H new HETATM 0 HC2 PLM A 96 1.105 -5.236 -5.621 1.00 0.00 H new HETATM 0 HC1 PLM A 96 2.148 -5.147 -4.215 1.00 0.00 H new HETATM 0 HB2 PLM A 96 1.572 -2.563 -4.185 1.00 0.00 H new HETATM 0 HB1 PLM A 96 0.956 -2.808 -5.807 1.00 0.00 H new HETATM 0 HA2 PLM A 96 3.222 -3.832 -6.429 1.00 0.00 H new HETATM 0 HA1 PLM A 96 3.808 -3.364 -4.845 1.00 0.00 H new HETATM 0 H92 PLM A 96 2.629 -1.231 -6.662 1.00 0.00 H new HETATM 0 H91 PLM A 96 4.250 -1.815 -6.981 1.00 0.00 H new HETATM 0 H82 PLM A 96 4.239 0.238 -5.571 1.00 0.00 H new HETATM 0 H81 PLM A 96 5.013 -1.116 -4.771 1.00 0.00 H new HETATM 0 H72 PLM A 96 3.519 0.073 -3.220 1.00 0.00 H new HETATM 0 H71 PLM A 96 2.963 -1.568 -3.479 1.00 0.00 H new HETATM 0 H62 PLM A 96 1.417 -0.556 -5.362 1.00 0.00 H new HETATM 0 H61 PLM A 96 1.792 1.007 -4.662 1.00 0.00 H new HETATM 0 H52 PLM A 96 0.179 -1.270 -3.500 1.00 0.00 H new HETATM 0 H51 PLM A 96 -0.185 0.444 -3.514 1.00 0.00 H new HETATM 0 H42 PLM A 96 2.062 -0.611 -1.819 1.00 0.00 H new HETATM 0 H41 PLM A 96 0.401 -0.787 -1.287 1.00 0.00 H new HETATM 0 H32 PLM A 96 1.516 1.167 -0.249 1.00 0.00 H new HETATM 0 H31 PLM A 96 0.120 1.647 -1.194 1.00 0.00 H new HETATM 0 H22 PLM A 96 1.818 1.818 -3.162 1.00 0.00 H new HETATM 0 H21 PLM A 96 3.035 1.833 -1.901 1.00 0.00 H new