USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 18 HIS : no HD1:sc= -1.26 X(o=-1.4,f=-1.9) USER MOD Set 1.2: A 63 MET CE :methyl -178:sc= -0.104 (180deg=-0.13) USER MOD Set 2.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 61 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.13) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0312 (180deg=-0.296) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.0888 (180deg=-0.785) USER MOD Single : A 3 HIS : no HD1:sc= 0.119 K(o=0.12,f=-3.2!) USER MOD Single : A 10 SER OG : rot -39:sc= 0.00512 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0871) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.715 F(o=-2.2,f=-0.72) USER MOD Single : A 16 ASN : amide:sc= -8.56! C(o=-8.6!,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.841 F(o=-1.4,f=-0.84) USER MOD Single : A 27 ASN :FLIP amide:sc= -2.72! C(o=-4.8!,f=-2.7!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.583 F(o=-1.1,f=-0.58) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 105:sc= 1.29 USER MOD Single : A 38 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.09) USER MOD Single : A 39 GLN : amide:sc= 0.817 K(o=0.82,f=-0.34) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.838 F(o=-1.7,f=-0.84) USER MOD Single : A 42 SER OG : rot 46:sc= 0.312 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= 0.658 K(o=0.66,f=-3.2!) USER MOD Single : A 49 MET CE :methyl 147:sc= -1.33 (180deg=-2.01) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 70:sc= 1.09 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 110:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.789 -3.326 4.034 1.00 0.00 N ATOM 2 CA MET A 1 -12.195 -1.897 3.984 1.00 0.00 C ATOM 3 C MET A 1 -12.554 -1.375 5.372 1.00 0.00 C ATOM 4 O MET A 1 -12.385 -0.190 5.663 1.00 0.00 O ATOM 5 CB MET A 1 -13.395 -1.764 3.043 1.00 0.00 C ATOM 6 CG MET A 1 -13.013 -1.718 1.573 1.00 0.00 C ATOM 7 SD MET A 1 -13.004 -3.349 0.806 1.00 0.00 S ATOM 8 CE MET A 1 -14.759 -3.690 0.713 1.00 0.00 C ATOM 0 H1 MET A 1 -11.066 -3.507 3.308 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.399 -3.543 4.973 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.617 -3.929 3.855 1.00 0.00 H new ATOM 0 HA MET A 1 -11.360 -1.301 3.616 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.070 -2.603 3.208 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.945 -0.858 3.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.712 -1.074 1.040 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.025 -1.268 1.472 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.940 -4.464 -0.033 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.115 -4.032 1.685 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.292 -2.782 0.430 1.00 0.00 H new ATOM 20 N PHE A 2 -13.049 -2.266 6.224 1.00 0.00 N ATOM 21 CA PHE A 2 -13.433 -1.896 7.582 1.00 0.00 C ATOM 22 C PHE A 2 -12.214 -1.840 8.497 1.00 0.00 C ATOM 23 O PHE A 2 -11.831 -0.771 8.973 1.00 0.00 O ATOM 24 CB PHE A 2 -14.458 -2.890 8.133 1.00 0.00 C ATOM 25 CG PHE A 2 -15.590 -2.238 8.875 1.00 0.00 C ATOM 26 CD1 PHE A 2 -16.646 -1.661 8.187 1.00 0.00 C ATOM 27 CD2 PHE A 2 -15.598 -2.201 10.261 1.00 0.00 C ATOM 28 CE1 PHE A 2 -17.689 -1.062 8.867 1.00 0.00 C ATOM 29 CE2 PHE A 2 -16.638 -1.603 10.946 1.00 0.00 C ATOM 30 CZ PHE A 2 -17.685 -1.033 10.249 1.00 0.00 C ATOM 0 H PHE A 2 -13.194 -3.250 5.998 1.00 0.00 H new ATOM 0 HA PHE A 2 -13.883 -0.904 7.549 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -14.865 -3.475 7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -13.952 -3.588 8.800 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -16.654 -1.680 7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -14.782 -2.645 10.811 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -18.507 -0.617 8.319 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -16.632 -1.581 12.026 1.00 0.00 H new ATOM 0 HZ PHE A 2 -18.499 -0.565 10.783 1.00 0.00 H new ATOM 40 N HIS A 3 -11.609 -2.999 8.740 1.00 0.00 N ATOM 41 CA HIS A 3 -10.433 -3.082 9.601 1.00 0.00 C ATOM 42 C HIS A 3 -9.218 -3.614 8.839 1.00 0.00 C ATOM 43 O HIS A 3 -8.115 -3.667 9.380 1.00 0.00 O ATOM 44 CB HIS A 3 -10.720 -3.973 10.812 1.00 0.00 C ATOM 45 CG HIS A 3 -11.499 -5.210 10.480 1.00 0.00 C ATOM 46 ND1 HIS A 3 -11.364 -5.888 9.287 1.00 0.00 N ATOM 47 CD2 HIS A 3 -12.425 -5.893 11.195 1.00 0.00 C ATOM 48 CE1 HIS A 3 -12.173 -6.932 9.282 1.00 0.00 C ATOM 49 NE2 HIS A 3 -12.827 -6.957 10.428 1.00 0.00 N ATOM 0 H HIS A 3 -11.913 -3.893 8.354 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.203 -2.073 9.944 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.775 -4.262 11.271 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.271 -3.396 11.554 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.780 -5.646 12.184 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -12.281 -7.644 8.477 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -13.520 -7.655 10.700 1.00 0.00 H new ATOM 58 N GLU A 4 -9.424 -4.007 7.584 1.00 0.00 N ATOM 59 CA GLU A 4 -8.341 -4.534 6.759 1.00 0.00 C ATOM 60 C GLU A 4 -7.428 -3.416 6.250 1.00 0.00 C ATOM 61 O GLU A 4 -6.408 -3.670 5.615 1.00 0.00 O ATOM 62 CB GLU A 4 -8.909 -5.319 5.575 1.00 0.00 C ATOM 63 CG GLU A 4 -9.614 -6.603 5.979 1.00 0.00 C ATOM 64 CD GLU A 4 -10.885 -6.843 5.189 1.00 0.00 C ATOM 65 OE1 GLU A 4 -11.926 -6.249 5.546 1.00 0.00 O ATOM 66 OE2 GLU A 4 -10.842 -7.624 4.216 1.00 0.00 O ATOM 0 H GLU A 4 -10.330 -3.970 7.117 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.746 -5.201 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.610 -4.685 5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.098 -5.560 4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.937 -7.445 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.853 -6.563 7.042 1.00 0.00 H new ATOM 73 N PHE A 5 -7.794 -2.178 6.532 1.00 0.00 N ATOM 74 CA PHE A 5 -7.000 -1.039 6.109 1.00 0.00 C ATOM 75 C PHE A 5 -5.993 -0.663 7.182 1.00 0.00 C ATOM 76 O PHE A 5 -4.983 -0.025 6.908 1.00 0.00 O ATOM 77 CB PHE A 5 -7.898 0.148 5.790 1.00 0.00 C ATOM 78 CG PHE A 5 -8.169 0.321 4.322 1.00 0.00 C ATOM 79 CD1 PHE A 5 -8.634 -0.739 3.561 1.00 0.00 C ATOM 80 CD2 PHE A 5 -7.960 1.544 3.705 1.00 0.00 C ATOM 81 CE1 PHE A 5 -8.884 -0.582 2.210 1.00 0.00 C ATOM 82 CE2 PHE A 5 -8.208 1.706 2.356 1.00 0.00 C ATOM 83 CZ PHE A 5 -8.671 0.642 1.607 1.00 0.00 C ATOM 0 H PHE A 5 -8.637 -1.936 7.053 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.457 -1.317 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.846 0.027 6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.435 1.057 6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.803 -1.698 4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.599 2.380 4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.246 -1.416 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.040 2.664 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.866 0.767 0.552 1.00 0.00 H new ATOM 93 N ARG A 6 -6.278 -1.072 8.408 1.00 0.00 N ATOM 94 CA ARG A 6 -5.394 -0.798 9.523 1.00 0.00 C ATOM 95 C ARG A 6 -4.863 -2.108 10.076 1.00 0.00 C ATOM 96 O ARG A 6 -3.739 -2.178 10.572 1.00 0.00 O ATOM 97 CB ARG A 6 -6.120 -0.011 10.617 1.00 0.00 C ATOM 98 CG ARG A 6 -7.010 1.099 10.084 1.00 0.00 C ATOM 99 CD ARG A 6 -8.408 0.592 9.764 1.00 0.00 C ATOM 100 NE ARG A 6 -9.364 0.915 10.822 1.00 0.00 N ATOM 101 CZ ARG A 6 -9.719 0.073 11.793 1.00 0.00 C ATOM 102 NH1 ARG A 6 -9.203 -1.149 11.851 1.00 0.00 N ATOM 103 NH2 ARG A 6 -10.596 0.457 12.710 1.00 0.00 N ATOM 0 H ARG A 6 -7.118 -1.596 8.654 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.561 -0.188 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.726 -0.699 11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.381 0.421 11.292 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.073 1.901 10.820 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.563 1.525 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.746 1.029 8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.378 -0.488 9.620 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.786 1.843 10.817 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.528 -1.452 11.149 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.481 -1.785 12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.997 1.394 12.671 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.870 -0.185 13.454 1.00 0.00 H new ATOM 117 N ASP A 7 -5.677 -3.153 9.968 1.00 0.00 N ATOM 118 CA ASP A 7 -5.281 -4.465 10.436 1.00 0.00 C ATOM 119 C ASP A 7 -4.597 -5.236 9.320 1.00 0.00 C ATOM 120 O ASP A 7 -3.684 -6.019 9.573 1.00 0.00 O ATOM 121 CB ASP A 7 -6.486 -5.245 10.964 1.00 0.00 C ATOM 122 CG ASP A 7 -7.283 -4.460 11.989 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.533 -3.259 11.755 1.00 0.00 O ATOM 124 OD2 ASP A 7 -7.655 -5.047 13.027 1.00 0.00 O ATOM 0 H ASP A 7 -6.611 -3.112 9.561 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.576 -4.336 11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.136 -5.512 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.143 -6.178 11.412 1.00 0.00 H new ATOM 129 N GLU A 8 -5.013 -4.997 8.077 1.00 0.00 N ATOM 130 CA GLU A 8 -4.378 -5.674 6.957 1.00 0.00 C ATOM 131 C GLU A 8 -3.222 -4.831 6.445 1.00 0.00 C ATOM 132 O GLU A 8 -2.267 -5.353 5.876 1.00 0.00 O ATOM 133 CB GLU A 8 -5.370 -5.981 5.835 1.00 0.00 C ATOM 134 CG GLU A 8 -5.362 -7.437 5.396 1.00 0.00 C ATOM 135 CD GLU A 8 -6.317 -7.707 4.252 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.711 -6.740 3.564 1.00 0.00 O ATOM 137 OE2 GLU A 8 -6.672 -8.886 4.041 1.00 0.00 O ATOM 0 H GLU A 8 -5.767 -4.357 7.828 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.998 -6.633 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.374 -5.716 6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.141 -5.350 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.352 -7.716 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.628 -8.069 6.243 1.00 0.00 H new ATOM 144 N ILE A 9 -3.298 -3.518 6.663 1.00 0.00 N ATOM 145 CA ILE A 9 -2.224 -2.641 6.227 1.00 0.00 C ATOM 146 C ILE A 9 -1.108 -2.598 7.260 1.00 0.00 C ATOM 147 O ILE A 9 0.054 -2.411 6.911 1.00 0.00 O ATOM 148 CB ILE A 9 -2.709 -1.202 5.959 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.712 -1.178 4.804 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.525 -0.290 5.658 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.148 0.215 4.398 1.00 0.00 C ATOM 0 H ILE A 9 -4.076 -3.051 7.129 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.852 -3.057 5.291 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.210 -0.835 6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.269 -1.675 3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.592 -1.755 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.884 0.722 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.846 -0.283 6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.998 -0.657 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.858 0.148 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.621 0.710 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.278 0.791 4.081 1.00 0.00 H new ATOM 163 N SER A 10 -1.456 -2.743 8.531 1.00 0.00 N ATOM 164 CA SER A 10 -0.448 -2.685 9.578 1.00 0.00 C ATOM 165 C SER A 10 0.135 -4.054 9.915 1.00 0.00 C ATOM 166 O SER A 10 1.214 -4.139 10.501 1.00 0.00 O ATOM 167 CB SER A 10 -1.022 -2.037 10.839 1.00 0.00 C ATOM 168 OG SER A 10 0.010 -1.524 11.664 1.00 0.00 O ATOM 0 H SER A 10 -2.410 -2.899 8.857 1.00 0.00 H new ATOM 0 HA SER A 10 0.368 -2.074 9.191 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.703 -1.233 10.561 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.606 -2.771 11.395 1.00 0.00 H new ATOM 0 HG SER A 10 0.771 -2.141 11.658 1.00 0.00 H new ATOM 174 N VAL A 11 -0.575 -5.123 9.576 1.00 0.00 N ATOM 175 CA VAL A 11 -0.087 -6.463 9.890 1.00 0.00 C ATOM 176 C VAL A 11 0.766 -7.048 8.769 1.00 0.00 C ATOM 177 O VAL A 11 1.716 -7.781 9.031 1.00 0.00 O ATOM 178 CB VAL A 11 -1.249 -7.426 10.218 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.738 -8.845 10.429 1.00 0.00 C ATOM 180 CG2 VAL A 11 -2.005 -6.942 11.446 1.00 0.00 C ATOM 0 H VAL A 11 -1.473 -5.093 9.093 1.00 0.00 H new ATOM 0 HA VAL A 11 0.544 -6.356 10.772 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.933 -7.438 9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.576 -9.503 10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.242 -9.192 9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.030 -8.857 11.257 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.821 -7.630 11.665 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.326 -6.900 12.298 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.410 -5.948 11.256 1.00 0.00 H new ATOM 190 N LEU A 12 0.427 -6.735 7.530 1.00 0.00 N ATOM 191 CA LEU A 12 1.177 -7.252 6.390 1.00 0.00 C ATOM 192 C LEU A 12 2.307 -6.314 6.007 1.00 0.00 C ATOM 193 O LEU A 12 3.420 -6.752 5.718 1.00 0.00 O ATOM 194 CB LEU A 12 0.252 -7.467 5.196 1.00 0.00 C ATOM 195 CG LEU A 12 -1.163 -7.894 5.562 1.00 0.00 C ATOM 196 CD1 LEU A 12 -2.042 -7.950 4.323 1.00 0.00 C ATOM 197 CD2 LEU A 12 -1.147 -9.240 6.273 1.00 0.00 C ATOM 0 H LEU A 12 -0.357 -6.130 7.285 1.00 0.00 H new ATOM 0 HA LEU A 12 1.609 -8.209 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.202 -6.543 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.690 -8.224 4.545 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.581 -7.153 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.049 -8.257 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.080 -6.965 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.628 -8.669 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.167 -9.529 6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.709 -9.993 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.554 -9.163 7.184 1.00 0.00 H new ATOM 209 N LYS A 13 2.015 -5.022 5.999 1.00 0.00 N ATOM 210 CA LYS A 13 3.019 -4.025 5.640 1.00 0.00 C ATOM 211 C LYS A 13 4.089 -3.913 6.721 1.00 0.00 C ATOM 212 O LYS A 13 5.270 -3.740 6.426 1.00 0.00 O ATOM 213 CB LYS A 13 2.367 -2.656 5.396 1.00 0.00 C ATOM 214 CG LYS A 13 2.580 -1.653 6.526 1.00 0.00 C ATOM 215 CD LYS A 13 1.773 -0.383 6.314 1.00 0.00 C ATOM 216 CE LYS A 13 1.292 0.199 7.634 1.00 0.00 C ATOM 217 NZ LYS A 13 0.867 1.620 7.496 1.00 0.00 N ATOM 0 H LYS A 13 1.099 -4.639 6.235 1.00 0.00 H new ATOM 0 HA LYS A 13 3.496 -4.352 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.765 -2.236 4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.296 -2.797 5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.297 -2.109 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.639 -1.403 6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.383 0.354 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.916 -0.598 5.676 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.458 -0.394 8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.090 0.130 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.774 2.048 8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.579 2.143 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.049 1.662 7.005 1.00 0.00 H new ATOM 231 N ALA A 14 3.660 -4.001 7.972 1.00 0.00 N ATOM 232 CA ALA A 14 4.573 -3.899 9.099 1.00 0.00 C ATOM 233 C ALA A 14 5.288 -5.220 9.372 1.00 0.00 C ATOM 234 O ALA A 14 6.138 -5.297 10.259 1.00 0.00 O ATOM 235 CB ALA A 14 3.823 -3.432 10.337 1.00 0.00 C ATOM 0 H ALA A 14 2.684 -4.143 8.231 1.00 0.00 H new ATOM 0 HA ALA A 14 5.337 -3.164 8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.515 -3.359 11.176 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.379 -2.455 10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.036 -4.147 10.577 1.00 0.00 H new ATOM 241 N ASN A 15 4.933 -6.266 8.626 1.00 0.00 N ATOM 242 CA ASN A 15 5.549 -7.578 8.832 1.00 0.00 C ATOM 243 C ASN A 15 6.196 -8.133 7.570 1.00 0.00 C ATOM 244 O ASN A 15 6.922 -9.125 7.635 1.00 0.00 O ATOM 245 CB ASN A 15 4.516 -8.574 9.360 1.00 0.00 C ATOM 246 CG ASN A 15 4.054 -8.238 10.765 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.345 -7.124 10.907 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 4.330 -8.973 11.713 1.00 0.00 N flip ATOM 0 H ASN A 15 4.233 -6.234 7.885 1.00 0.00 H new ATOM 0 HA ASN A 15 6.341 -7.437 9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.655 -8.589 8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.944 -9.576 9.351 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.877 -9.820 11.559 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.011 -8.735 12.652 1.00 0.00 H new ATOM 255 N ASN A 16 5.950 -7.510 6.426 1.00 0.00 N ATOM 256 CA ASN A 16 6.544 -7.994 5.189 1.00 0.00 C ATOM 257 C ASN A 16 7.950 -7.424 5.009 1.00 0.00 C ATOM 258 O ASN A 16 8.159 -6.223 5.161 1.00 0.00 O ATOM 259 CB ASN A 16 5.665 -7.646 3.983 1.00 0.00 C ATOM 260 CG ASN A 16 5.335 -6.170 3.905 1.00 0.00 C ATOM 261 OD1 ASN A 16 5.883 -5.360 4.650 1.00 0.00 O ATOM 262 ND2 ASN A 16 4.431 -5.812 3.002 1.00 0.00 N ATOM 0 H ASN A 16 5.356 -6.686 6.329 1.00 0.00 H new ATOM 0 HA ASN A 16 6.616 -9.080 5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.174 -7.949 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.739 -8.219 4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.166 -4.832 2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.001 -6.517 2.404 1.00 0.00 H new ATOM 269 N PRO A 17 8.940 -8.282 4.691 1.00 0.00 N ATOM 270 CA PRO A 17 10.330 -7.850 4.505 1.00 0.00 C ATOM 271 C PRO A 17 10.449 -6.646 3.589 1.00 0.00 C ATOM 272 O PRO A 17 11.340 -5.813 3.750 1.00 0.00 O ATOM 273 CB PRO A 17 11.002 -9.073 3.881 1.00 0.00 C ATOM 274 CG PRO A 17 10.203 -10.230 4.373 1.00 0.00 C ATOM 275 CD PRO A 17 8.785 -9.737 4.498 1.00 0.00 C ATOM 0 HA PRO A 17 10.785 -7.531 5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.993 -9.019 2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.045 -9.152 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.264 -11.069 3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.579 -10.583 5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.202 -9.963 3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.272 -10.201 5.340 1.00 0.00 H new ATOM 283 N HIS A 18 9.539 -6.556 2.641 1.00 0.00 N ATOM 284 CA HIS A 18 9.523 -5.448 1.705 1.00 0.00 C ATOM 285 C HIS A 18 9.273 -4.131 2.436 1.00 0.00 C ATOM 286 O HIS A 18 9.577 -3.057 1.917 1.00 0.00 O ATOM 287 CB HIS A 18 8.441 -5.693 0.663 1.00 0.00 C ATOM 288 CG HIS A 18 8.950 -5.678 -0.745 1.00 0.00 C ATOM 289 ND1 HIS A 18 8.703 -6.694 -1.646 1.00 0.00 N ATOM 290 CD2 HIS A 18 9.696 -4.764 -1.409 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.277 -6.404 -2.801 1.00 0.00 C ATOM 292 NE2 HIS A 18 9.884 -5.238 -2.683 1.00 0.00 N ATOM 0 H HIS A 18 8.796 -7.240 2.497 1.00 0.00 H new ATOM 0 HA HIS A 18 10.492 -5.378 1.212 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.970 -6.656 0.860 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.667 -4.932 0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.073 -3.834 -1.010 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.253 -7.017 -3.690 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.408 -4.766 -3.420 1.00 0.00 H new ATOM 301 N PHE A 19 8.722 -4.221 3.646 1.00 0.00 N ATOM 302 CA PHE A 19 8.435 -3.036 4.447 1.00 0.00 C ATOM 303 C PHE A 19 9.656 -2.125 4.521 1.00 0.00 C ATOM 304 O PHE A 19 9.537 -0.906 4.544 1.00 0.00 O ATOM 305 CB PHE A 19 7.970 -3.438 5.856 1.00 0.00 C ATOM 306 CG PHE A 19 9.081 -3.788 6.812 1.00 0.00 C ATOM 307 CD1 PHE A 19 10.055 -4.710 6.464 1.00 0.00 C ATOM 308 CD2 PHE A 19 9.144 -3.199 8.064 1.00 0.00 C ATOM 309 CE1 PHE A 19 11.071 -5.034 7.343 1.00 0.00 C ATOM 310 CE2 PHE A 19 10.157 -3.519 8.948 1.00 0.00 C ATOM 311 CZ PHE A 19 11.122 -4.438 8.587 1.00 0.00 C ATOM 0 H PHE A 19 8.466 -5.102 4.091 1.00 0.00 H new ATOM 0 HA PHE A 19 7.629 -2.483 3.964 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.390 -2.618 6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.299 -4.293 5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.020 -5.182 5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.392 -2.480 8.353 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.824 -5.753 7.057 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.194 -3.051 9.920 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.915 -4.690 9.276 1.00 0.00 H new ATOM 321 N ASP A 20 10.833 -2.724 4.539 1.00 0.00 N ATOM 322 CA ASP A 20 12.071 -1.958 4.596 1.00 0.00 C ATOM 323 C ASP A 20 12.030 -0.788 3.623 1.00 0.00 C ATOM 324 O ASP A 20 12.276 0.356 3.998 1.00 0.00 O ATOM 325 CB ASP A 20 13.258 -2.854 4.265 1.00 0.00 C ATOM 326 CG ASP A 20 13.804 -3.573 5.482 1.00 0.00 C ATOM 327 OD1 ASP A 20 14.633 -2.978 6.202 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.402 -4.733 5.716 1.00 0.00 O ATOM 0 H ASP A 20 10.961 -3.736 4.515 1.00 0.00 H new ATOM 0 HA ASP A 20 12.181 -1.568 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.956 -3.589 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.049 -2.252 3.818 1.00 0.00 H new ATOM 333 N LYS A 21 11.721 -1.089 2.373 1.00 0.00 N ATOM 334 CA LYS A 21 11.644 -0.072 1.333 1.00 0.00 C ATOM 335 C LYS A 21 10.236 0.499 1.207 1.00 0.00 C ATOM 336 O LYS A 21 10.037 1.712 1.263 1.00 0.00 O ATOM 337 CB LYS A 21 12.091 -0.660 -0.007 1.00 0.00 C ATOM 338 CG LYS A 21 13.579 -0.498 -0.277 1.00 0.00 C ATOM 339 CD LYS A 21 14.195 -1.785 -0.801 1.00 0.00 C ATOM 340 CE LYS A 21 14.105 -1.870 -2.316 1.00 0.00 C ATOM 341 NZ LYS A 21 15.069 -2.856 -2.875 1.00 0.00 N ATOM 0 H LYS A 21 11.518 -2.035 2.051 1.00 0.00 H new ATOM 0 HA LYS A 21 12.310 0.743 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.839 -1.720 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.530 -0.181 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.733 0.301 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.086 -0.198 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.239 -1.841 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.686 -2.640 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.092 -2.150 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.299 -0.888 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.976 -2.884 -3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.038 -2.576 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.868 -3.798 -2.484 1.00 0.00 H new ATOM 355 N ILE A 22 9.268 -0.387 1.020 1.00 0.00 N ATOM 356 CA ILE A 22 7.872 0.016 0.862 1.00 0.00 C ATOM 357 C ILE A 22 7.345 0.740 2.094 1.00 0.00 C ATOM 358 O ILE A 22 6.507 1.636 1.986 1.00 0.00 O ATOM 359 CB ILE A 22 6.953 -1.190 0.588 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.601 -2.163 -0.401 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.607 -0.712 0.065 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.686 -3.294 -0.819 1.00 0.00 C ATOM 0 H ILE A 22 9.422 -1.394 0.973 1.00 0.00 H new ATOM 0 HA ILE A 22 7.857 0.691 0.006 1.00 0.00 H new ATOM 0 HB ILE A 22 6.797 -1.723 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.915 -1.613 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.501 -2.581 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.965 -1.572 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.137 -0.065 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.753 -0.156 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.209 -3.945 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.392 -3.868 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.797 -2.884 -1.298 1.00 0.00 H new ATOM 374 N PHE A 23 7.820 0.338 3.264 1.00 0.00 N ATOM 375 CA PHE A 23 7.371 0.944 4.511 1.00 0.00 C ATOM 376 C PHE A 23 8.202 2.167 4.866 1.00 0.00 C ATOM 377 O PHE A 23 7.681 3.137 5.414 1.00 0.00 O ATOM 378 CB PHE A 23 7.423 -0.081 5.646 1.00 0.00 C ATOM 379 CG PHE A 23 6.461 0.172 6.771 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.233 0.778 6.550 1.00 0.00 C ATOM 381 CD2 PHE A 23 6.794 -0.207 8.059 1.00 0.00 C ATOM 382 CE1 PHE A 23 4.359 1.000 7.596 1.00 0.00 C ATOM 383 CE2 PHE A 23 5.924 0.013 9.110 1.00 0.00 C ATOM 384 CZ PHE A 23 4.704 0.617 8.877 1.00 0.00 C ATOM 0 H PHE A 23 8.513 -0.402 3.377 1.00 0.00 H new ATOM 0 HA PHE A 23 6.340 1.270 4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.224 -1.070 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.435 -0.103 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.958 1.079 5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.746 -0.681 8.246 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.406 1.473 7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.197 -0.287 10.111 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.021 0.789 9.696 1.00 0.00 H new ATOM 394 N GLU A 24 9.494 2.133 4.551 1.00 0.00 N ATOM 395 CA GLU A 24 10.361 3.265 4.849 1.00 0.00 C ATOM 396 C GLU A 24 10.013 4.449 3.962 1.00 0.00 C ATOM 397 O GLU A 24 9.980 5.590 4.418 1.00 0.00 O ATOM 398 CB GLU A 24 11.832 2.886 4.672 1.00 0.00 C ATOM 399 CG GLU A 24 12.794 4.032 4.939 1.00 0.00 C ATOM 400 CD GLU A 24 14.244 3.587 4.944 1.00 0.00 C ATOM 401 OE1 GLU A 24 14.609 2.769 5.814 1.00 0.00 O ATOM 402 OE2 GLU A 24 15.012 4.056 4.078 1.00 0.00 O ATOM 0 H GLU A 24 9.957 1.346 4.096 1.00 0.00 H new ATOM 0 HA GLU A 24 10.202 3.548 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.069 2.061 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.985 2.524 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.657 4.801 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.554 4.487 5.900 1.00 0.00 H new ATOM 409 N LYS A 25 9.742 4.168 2.694 1.00 0.00 N ATOM 410 CA LYS A 25 9.382 5.211 1.745 1.00 0.00 C ATOM 411 C LYS A 25 7.969 5.707 2.020 1.00 0.00 C ATOM 412 O LYS A 25 7.677 6.894 1.882 1.00 0.00 O ATOM 413 CB LYS A 25 9.489 4.691 0.311 1.00 0.00 C ATOM 414 CG LYS A 25 9.794 5.775 -0.710 1.00 0.00 C ATOM 415 CD LYS A 25 11.254 6.203 -0.653 1.00 0.00 C ATOM 416 CE LYS A 25 11.892 6.203 -2.033 1.00 0.00 C ATOM 417 NZ LYS A 25 12.706 7.427 -2.268 1.00 0.00 N ATOM 0 H LYS A 25 9.765 3.227 2.300 1.00 0.00 H new ATOM 0 HA LYS A 25 10.077 6.042 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.270 3.932 0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.553 4.202 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.560 5.410 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.154 6.638 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.325 7.200 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.806 5.530 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.523 5.321 -2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.114 6.133 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.124 7.389 -3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.099 8.268 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.465 7.481 -1.559 1.00 0.00 H new ATOM 431 N HIS A 26 7.099 4.789 2.424 1.00 0.00 N ATOM 432 CA HIS A 26 5.720 5.134 2.736 1.00 0.00 C ATOM 433 C HIS A 26 5.653 5.852 4.076 1.00 0.00 C ATOM 434 O HIS A 26 4.937 6.843 4.228 1.00 0.00 O ATOM 435 CB HIS A 26 4.847 3.878 2.767 1.00 0.00 C ATOM 436 CG HIS A 26 3.405 4.160 3.055 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.512 3.505 3.837 1.00 0.00 N flip ATOM 438 CD2 HIS A 26 2.723 5.228 2.511 1.00 0.00 C flip ATOM 439 CE1 HIS A 26 1.322 4.184 3.751 1.00 0.00 C flip ATOM 440 NE2 HIS A 26 1.475 5.220 2.946 1.00 0.00 N flip ATOM 0 H HIS A 26 7.325 3.801 2.543 1.00 0.00 H new ATOM 0 HA HIS A 26 5.343 5.798 1.958 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.925 3.367 1.807 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.234 3.195 3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.143 5.958 1.835 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.408 3.915 4.260 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.753 5.898 2.702 1.00 0.00 H new ATOM 449 N ASN A 27 6.407 5.347 5.045 1.00 0.00 N ATOM 450 CA ASN A 27 6.438 5.944 6.376 1.00 0.00 C ATOM 451 C ASN A 27 7.059 7.338 6.338 1.00 0.00 C ATOM 452 O ASN A 27 6.696 8.206 7.131 1.00 0.00 O ATOM 453 CB ASN A 27 7.218 5.055 7.348 1.00 0.00 C ATOM 454 CG ASN A 27 6.418 3.848 7.798 1.00 0.00 C ATOM 455 OD1 ASN A 27 5.208 4.087 8.289 1.00 0.00 O flip ATOM 456 ND2 ASN A 27 6.885 2.712 7.710 1.00 0.00 N flip ATOM 0 H ASN A 27 7.004 4.527 4.935 1.00 0.00 H new ATOM 0 HA ASN A 27 5.409 6.032 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.138 4.720 6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.507 5.641 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.820 2.573 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.337 1.910 8.021 1.00 0.00 H new ATOM 463 N GLN A 28 7.989 7.553 5.410 1.00 0.00 N ATOM 464 CA GLN A 28 8.643 8.849 5.279 1.00 0.00 C ATOM 465 C GLN A 28 7.661 9.877 4.743 1.00 0.00 C ATOM 466 O GLN A 28 7.608 11.013 5.216 1.00 0.00 O ATOM 467 CB GLN A 28 9.857 8.753 4.353 1.00 0.00 C ATOM 468 CG GLN A 28 11.026 9.619 4.792 1.00 0.00 C ATOM 469 CD GLN A 28 10.697 11.098 4.767 1.00 0.00 C ATOM 470 OE1 GLN A 28 10.063 11.581 5.830 1.00 0.00 O flip ATOM 471 NE2 GLN A 28 11.009 11.800 3.805 1.00 0.00 N flip ATOM 0 H GLN A 28 8.304 6.850 4.742 1.00 0.00 H new ATOM 0 HA GLN A 28 8.986 9.162 6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.184 7.714 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.559 9.043 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.326 9.334 5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.879 9.429 4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.495 11.387 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.781 12.794 3.804 1.00 0.00 H new ATOM 480 N LEU A 29 6.874 9.463 3.759 1.00 0.00 N ATOM 481 CA LEU A 29 5.878 10.336 3.164 1.00 0.00 C ATOM 482 C LEU A 29 4.802 10.662 4.184 1.00 0.00 C ATOM 483 O LEU A 29 4.478 11.827 4.411 1.00 0.00 O ATOM 484 CB LEU A 29 5.259 9.678 1.930 1.00 0.00 C ATOM 485 CG LEU A 29 5.975 9.979 0.611 1.00 0.00 C ATOM 486 CD1 LEU A 29 6.080 11.481 0.396 1.00 0.00 C ATOM 487 CD2 LEU A 29 7.355 9.340 0.597 1.00 0.00 C ATOM 0 H LEU A 29 6.908 8.526 3.357 1.00 0.00 H new ATOM 0 HA LEU A 29 6.362 11.261 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.245 8.599 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.222 10.002 1.845 1.00 0.00 H new ATOM 0 HG LEU A 29 5.391 9.553 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.592 11.679 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.081 11.915 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.643 11.927 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.850 9.564 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.948 9.737 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.257 8.260 0.708 1.00 0.00 H new ATOM 499 N ASP A 30 4.268 9.624 4.816 1.00 0.00 N ATOM 500 CA ASP A 30 3.242 9.802 5.834 1.00 0.00 C ATOM 501 C ASP A 30 3.791 10.619 7.000 1.00 0.00 C ATOM 502 O ASP A 30 3.032 11.189 7.782 1.00 0.00 O ATOM 503 CB ASP A 30 2.736 8.447 6.331 1.00 0.00 C ATOM 504 CG ASP A 30 1.410 8.556 7.059 1.00 0.00 C ATOM 505 OD1 ASP A 30 0.507 9.250 6.545 1.00 0.00 O ATOM 506 OD2 ASP A 30 1.274 7.947 8.140 1.00 0.00 O ATOM 0 H ASP A 30 4.528 8.653 4.642 1.00 0.00 H new ATOM 0 HA ASP A 30 2.406 10.341 5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.628 7.770 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.478 8.007 6.997 1.00 0.00 H new ATOM 511 N ASP A 31 5.116 10.689 7.101 1.00 0.00 N ATOM 512 CA ASP A 31 5.749 11.465 8.156 1.00 0.00 C ATOM 513 C ASP A 31 5.898 12.910 7.702 1.00 0.00 C ATOM 514 O ASP A 31 5.826 13.839 8.505 1.00 0.00 O ATOM 515 CB ASP A 31 7.115 10.878 8.523 1.00 0.00 C ATOM 516 CG ASP A 31 7.081 10.106 9.828 1.00 0.00 C ATOM 517 OD1 ASP A 31 6.761 8.898 9.796 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.374 10.709 10.882 1.00 0.00 O ATOM 0 H ASP A 31 5.765 10.221 6.469 1.00 0.00 H new ATOM 0 HA ASP A 31 5.120 11.428 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.451 10.219 7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.845 11.684 8.600 1.00 0.00 H new ATOM 523 N ASP A 32 6.083 13.088 6.396 1.00 0.00 N ATOM 524 CA ASP A 32 6.215 14.417 5.819 1.00 0.00 C ATOM 525 C ASP A 32 4.837 15.044 5.651 1.00 0.00 C ATOM 526 O ASP A 32 4.671 16.256 5.791 1.00 0.00 O ATOM 527 CB ASP A 32 6.930 14.346 4.468 1.00 0.00 C ATOM 528 CG ASP A 32 8.424 14.568 4.593 1.00 0.00 C ATOM 529 OD1 ASP A 32 8.973 14.313 5.686 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.046 14.998 3.599 1.00 0.00 O ATOM 0 H ASP A 32 6.144 12.327 5.720 1.00 0.00 H new ATOM 0 HA ASP A 32 6.810 15.035 6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.747 13.372 4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.509 15.095 3.797 1.00 0.00 H new ATOM 535 N ILE A 33 3.846 14.202 5.364 1.00 0.00 N ATOM 536 CA ILE A 33 2.481 14.658 5.192 1.00 0.00 C ATOM 537 C ILE A 33 1.945 15.232 6.497 1.00 0.00 C ATOM 538 O ILE A 33 1.224 16.230 6.498 1.00 0.00 O ATOM 539 CB ILE A 33 1.568 13.508 4.711 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.321 12.506 5.837 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.172 12.817 3.498 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.164 12.877 6.740 1.00 0.00 C ATOM 0 H ILE A 33 3.971 13.197 5.247 1.00 0.00 H new ATOM 0 HA ILE A 33 2.482 15.439 4.432 1.00 0.00 H new ATOM 0 HB ILE A 33 0.608 13.933 4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.131 11.525 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.226 12.419 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.515 12.010 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.288 13.538 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.147 12.407 3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.050 12.119 7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.360 13.844 7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.752 12.936 6.152 1.00 0.00 H new ATOM 554 N LYS A 34 2.316 14.604 7.610 1.00 0.00 N ATOM 555 CA LYS A 34 1.885 15.068 8.920 1.00 0.00 C ATOM 556 C LYS A 34 2.718 16.267 9.338 1.00 0.00 C ATOM 557 O LYS A 34 2.204 17.228 9.912 1.00 0.00 O ATOM 558 CB LYS A 34 2.007 13.954 9.957 1.00 0.00 C ATOM 559 CG LYS A 34 3.405 13.369 10.066 1.00 0.00 C ATOM 560 CD LYS A 34 3.484 12.319 11.161 1.00 0.00 C ATOM 561 CE LYS A 34 2.900 10.993 10.702 1.00 0.00 C ATOM 562 NZ LYS A 34 2.484 10.142 11.850 1.00 0.00 N ATOM 0 H LYS A 34 2.912 13.776 7.628 1.00 0.00 H new ATOM 0 HA LYS A 34 0.837 15.362 8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.709 14.342 10.931 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.308 13.157 9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.690 12.924 9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.119 14.166 10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.523 12.177 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.947 12.669 12.042 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.041 11.179 10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.638 10.459 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.091 9.247 11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.309 9.943 12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.761 10.640 12.407 1.00 0.00 H new ATOM 576 N THR A 35 4.007 16.213 9.023 1.00 0.00 N ATOM 577 CA THR A 35 4.911 17.306 9.341 1.00 0.00 C ATOM 578 C THR A 35 4.532 18.536 8.527 1.00 0.00 C ATOM 579 O THR A 35 4.754 19.670 8.951 1.00 0.00 O ATOM 580 CB THR A 35 6.357 16.906 9.051 1.00 0.00 C ATOM 581 OG1 THR A 35 6.722 15.763 9.805 1.00 0.00 O ATOM 582 CG2 THR A 35 7.356 17.999 9.365 1.00 0.00 C ATOM 0 H THR A 35 4.447 15.424 8.549 1.00 0.00 H new ATOM 0 HA THR A 35 4.826 17.538 10.403 1.00 0.00 H new ATOM 0 HB THR A 35 6.390 16.702 7.981 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.742 14.977 9.219 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.362 17.649 9.136 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.133 18.880 8.763 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.293 18.257 10.422 1.00 0.00 H new ATOM 590 N ALA A 36 3.944 18.297 7.356 1.00 0.00 N ATOM 591 CA ALA A 36 3.516 19.377 6.482 1.00 0.00 C ATOM 592 C ALA A 36 2.080 19.786 6.792 1.00 0.00 C ATOM 593 O ALA A 36 1.684 20.926 6.552 1.00 0.00 O ATOM 594 CB ALA A 36 3.646 18.962 5.024 1.00 0.00 C ATOM 0 H ALA A 36 3.755 17.362 6.994 1.00 0.00 H new ATOM 0 HA ALA A 36 4.162 20.237 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.322 19.781 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.686 18.720 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.023 18.087 4.838 1.00 0.00 H new ATOM 600 N GLU A 37 1.303 18.849 7.334 1.00 0.00 N ATOM 601 CA GLU A 37 -0.087 19.119 7.681 1.00 0.00 C ATOM 602 C GLU A 37 -0.190 19.785 9.051 1.00 0.00 C ATOM 603 O GLU A 37 -1.197 20.417 9.369 1.00 0.00 O ATOM 604 CB GLU A 37 -0.899 17.823 7.671 1.00 0.00 C ATOM 605 CG GLU A 37 -1.488 17.483 6.312 1.00 0.00 C ATOM 606 CD GLU A 37 -2.732 18.290 5.998 1.00 0.00 C ATOM 607 OE1 GLU A 37 -3.700 18.218 6.785 1.00 0.00 O ATOM 608 OE2 GLU A 37 -2.741 18.991 4.965 1.00 0.00 O ATOM 0 H GLU A 37 1.613 17.900 7.541 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.493 19.801 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.260 17.002 7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.707 17.905 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.739 17.662 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.731 16.421 6.281 1.00 0.00 H new ATOM 615 N GLN A 38 0.855 19.635 9.860 1.00 0.00 N ATOM 616 CA GLN A 38 0.881 20.218 11.195 1.00 0.00 C ATOM 617 C GLN A 38 0.666 21.728 11.143 1.00 0.00 C ATOM 618 O GLN A 38 -0.098 22.281 11.934 1.00 0.00 O ATOM 619 CB GLN A 38 2.210 19.903 11.884 1.00 0.00 C ATOM 620 CG GLN A 38 2.056 19.457 13.329 1.00 0.00 C ATOM 621 CD GLN A 38 2.197 17.956 13.493 1.00 0.00 C ATOM 622 OE1 GLN A 38 1.352 17.305 14.108 1.00 0.00 O ATOM 623 NE2 GLN A 38 3.270 17.400 12.945 1.00 0.00 N ATOM 0 H GLN A 38 1.696 19.113 9.612 1.00 0.00 H new ATOM 0 HA GLN A 38 0.066 19.778 11.769 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.724 19.121 11.324 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.845 20.788 11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.805 19.958 13.942 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.080 19.769 13.700 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.945 17.978 12.444 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.420 16.394 13.025 1.00 0.00 H new ATOM 632 N GLN A 39 1.345 22.392 10.212 1.00 0.00 N ATOM 633 CA GLN A 39 1.226 23.838 10.072 1.00 0.00 C ATOM 634 C GLN A 39 0.710 24.224 8.688 1.00 0.00 C ATOM 635 O GLN A 39 0.126 25.293 8.513 1.00 0.00 O ATOM 636 CB GLN A 39 2.580 24.507 10.327 1.00 0.00 C ATOM 637 CG GLN A 39 3.576 24.329 9.191 1.00 0.00 C ATOM 638 CD GLN A 39 4.375 23.047 9.310 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.053 22.814 10.312 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.300 22.204 8.286 1.00 0.00 N ATOM 0 H GLN A 39 1.981 21.953 9.546 1.00 0.00 H new ATOM 0 HA GLN A 39 0.505 24.185 10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.422 25.572 10.496 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.010 24.099 11.242 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.042 24.333 8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.259 25.178 9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.726 22.436 7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.816 21.324 8.311 1.00 0.00 H new ATOM 649 N ASN A 40 0.946 23.357 7.706 1.00 0.00 N ATOM 650 CA ASN A 40 0.517 23.621 6.338 1.00 0.00 C ATOM 651 C ASN A 40 1.277 24.811 5.765 1.00 0.00 C ATOM 652 O ASN A 40 0.682 25.748 5.234 1.00 0.00 O ATOM 653 CB ASN A 40 -0.988 23.886 6.290 1.00 0.00 C ATOM 654 CG ASN A 40 -1.793 22.618 6.082 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.785 21.742 7.080 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -2.414 22.429 5.036 1.00 0.00 N flip ATOM 0 H ASN A 40 1.431 22.469 7.833 1.00 0.00 H new ATOM 0 HA ASN A 40 0.735 22.741 5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.300 24.362 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.205 24.587 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.391 23.130 4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.951 21.571 4.910 1.00 0.00 H new ATOM 663 N ALA A 41 2.602 24.762 5.884 1.00 0.00 N ATOM 664 CA ALA A 41 3.462 25.832 5.383 1.00 0.00 C ATOM 665 C ALA A 41 3.041 26.282 3.987 1.00 0.00 C ATOM 666 O ALA A 41 3.230 27.441 3.615 1.00 0.00 O ATOM 667 CB ALA A 41 4.914 25.380 5.378 1.00 0.00 C ATOM 0 H ALA A 41 3.104 23.991 6.324 1.00 0.00 H new ATOM 0 HA ALA A 41 3.357 26.686 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.545 26.186 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.219 25.123 6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.021 24.506 4.735 1.00 0.00 H new ATOM 673 N SER A 42 2.468 25.361 3.219 1.00 0.00 N ATOM 674 CA SER A 42 2.021 25.668 1.866 1.00 0.00 C ATOM 675 C SER A 42 1.085 24.584 1.342 1.00 0.00 C ATOM 676 O SER A 42 1.439 23.406 1.310 1.00 0.00 O ATOM 677 CB SER A 42 3.222 25.819 0.931 1.00 0.00 C ATOM 678 OG SER A 42 3.522 27.185 0.701 1.00 0.00 O ATOM 0 H SER A 42 2.303 24.398 3.510 1.00 0.00 H new ATOM 0 HA SER A 42 1.474 26.610 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.089 25.321 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.012 25.325 -0.018 1.00 0.00 H new ATOM 0 HG SER A 42 3.517 27.669 1.553 1.00 0.00 H new ATOM 684 N ASP A 43 -0.110 24.994 0.923 1.00 0.00 N ATOM 685 CA ASP A 43 -1.100 24.062 0.390 1.00 0.00 C ATOM 686 C ASP A 43 -0.487 23.212 -0.712 1.00 0.00 C ATOM 687 O ASP A 43 -0.597 21.986 -0.703 1.00 0.00 O ATOM 688 CB ASP A 43 -2.314 24.823 -0.147 1.00 0.00 C ATOM 689 CG ASP A 43 -3.023 25.618 0.932 1.00 0.00 C ATOM 690 OD1 ASP A 43 -3.816 25.015 1.688 1.00 0.00 O ATOM 691 OD2 ASP A 43 -2.785 26.840 1.023 1.00 0.00 O ATOM 0 H ASP A 43 -0.416 25.967 0.942 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.427 23.407 1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.994 25.498 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.014 24.116 -0.593 1.00 0.00 H new ATOM 696 N ALA A 44 0.174 23.875 -1.652 1.00 0.00 N ATOM 697 CA ALA A 44 0.826 23.184 -2.754 1.00 0.00 C ATOM 698 C ALA A 44 1.902 22.245 -2.221 1.00 0.00 C ATOM 699 O ALA A 44 2.194 21.212 -2.822 1.00 0.00 O ATOM 700 CB ALA A 44 1.427 24.187 -3.727 1.00 0.00 C ATOM 0 H ALA A 44 0.272 24.890 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 44 0.081 22.593 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.911 23.655 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.638 24.825 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.163 24.801 -3.208 1.00 0.00 H new ATOM 706 N GLU A 45 2.477 22.612 -1.079 1.00 0.00 N ATOM 707 CA GLU A 45 3.511 21.807 -0.446 1.00 0.00 C ATOM 708 C GLU A 45 2.894 20.601 0.246 1.00 0.00 C ATOM 709 O GLU A 45 3.407 19.486 0.153 1.00 0.00 O ATOM 710 CB GLU A 45 4.293 22.644 0.568 1.00 0.00 C ATOM 711 CG GLU A 45 5.697 22.124 0.834 1.00 0.00 C ATOM 712 CD GLU A 45 5.881 21.643 2.261 1.00 0.00 C ATOM 713 OE1 GLU A 45 5.488 22.379 3.190 1.00 0.00 O ATOM 714 OE2 GLU A 45 6.418 20.531 2.448 1.00 0.00 O ATOM 0 H GLU A 45 2.241 23.466 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 45 4.196 21.459 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.357 23.670 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.741 22.671 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.913 21.305 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.419 22.914 0.625 1.00 0.00 H new ATOM 721 N VAL A 46 1.785 20.833 0.936 1.00 0.00 N ATOM 722 CA VAL A 46 1.092 19.762 1.638 1.00 0.00 C ATOM 723 C VAL A 46 0.331 18.876 0.659 1.00 0.00 C ATOM 724 O VAL A 46 0.099 17.697 0.924 1.00 0.00 O ATOM 725 CB VAL A 46 0.108 20.311 2.688 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.364 19.195 3.608 1.00 0.00 C ATOM 727 CG2 VAL A 46 0.746 21.440 3.488 1.00 0.00 C ATOM 0 H VAL A 46 1.348 21.750 1.024 1.00 0.00 H new ATOM 0 HA VAL A 46 1.855 19.174 2.148 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.760 20.716 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.059 19.600 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.865 18.426 3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.494 18.758 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.033 21.813 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.634 21.067 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.028 22.249 2.814 1.00 0.00 H new ATOM 737 N SER A 47 -0.054 19.453 -0.477 1.00 0.00 N ATOM 738 CA SER A 47 -0.786 18.715 -1.499 1.00 0.00 C ATOM 739 C SER A 47 0.157 17.874 -2.349 1.00 0.00 C ATOM 740 O SER A 47 -0.256 16.896 -2.971 1.00 0.00 O ATOM 741 CB SER A 47 -1.578 19.675 -2.387 1.00 0.00 C ATOM 742 OG SER A 47 -2.136 18.998 -3.500 1.00 0.00 O ATOM 0 H SER A 47 0.129 20.429 -0.711 1.00 0.00 H new ATOM 0 HA SER A 47 -1.481 18.044 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.373 20.141 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.925 20.476 -2.734 1.00 0.00 H new ATOM 0 HG SER A 47 -2.639 19.634 -4.051 1.00 0.00 H new ATOM 748 N HIS A 48 1.426 18.260 -2.370 1.00 0.00 N ATOM 749 CA HIS A 48 2.426 17.541 -3.140 1.00 0.00 C ATOM 750 C HIS A 48 2.900 16.304 -2.387 1.00 0.00 C ATOM 751 O HIS A 48 3.210 15.277 -2.990 1.00 0.00 O ATOM 752 CB HIS A 48 3.603 18.461 -3.433 1.00 0.00 C ATOM 753 CG HIS A 48 4.452 18.011 -4.582 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.656 16.682 -4.892 1.00 0.00 N ATOM 755 CD2 HIS A 48 5.151 18.721 -5.499 1.00 0.00 C ATOM 756 CE1 HIS A 48 5.444 16.595 -5.949 1.00 0.00 C ATOM 757 NE2 HIS A 48 5.757 17.817 -6.337 1.00 0.00 N ATOM 0 H HIS A 48 1.785 19.068 -1.861 1.00 0.00 H new ATOM 0 HA HIS A 48 1.979 17.216 -4.080 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.226 19.462 -3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.225 18.535 -2.541 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.260 15.891 -4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.219 19.797 -5.560 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.776 15.679 -6.416 1.00 0.00 H new ATOM 766 N MET A 49 2.952 16.410 -1.064 1.00 0.00 N ATOM 767 CA MET A 49 3.383 15.299 -0.228 1.00 0.00 C ATOM 768 C MET A 49 2.323 14.209 -0.193 1.00 0.00 C ATOM 769 O MET A 49 2.641 13.019 -0.205 1.00 0.00 O ATOM 770 CB MET A 49 3.687 15.782 1.192 1.00 0.00 C ATOM 771 CG MET A 49 4.698 16.916 1.246 1.00 0.00 C ATOM 772 SD MET A 49 6.398 16.326 1.342 1.00 0.00 S ATOM 773 CE MET A 49 7.065 17.413 2.600 1.00 0.00 C ATOM 0 H MET A 49 2.701 17.254 -0.549 1.00 0.00 H new ATOM 0 HA MET A 49 4.294 14.884 -0.660 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.760 16.111 1.661 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.062 14.944 1.779 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.584 17.542 0.361 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.487 17.545 2.110 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.817 16.879 3.181 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.522 18.281 2.125 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.262 17.741 3.260 1.00 0.00 H new ATOM 783 N LYS A 50 1.060 14.618 -0.158 1.00 0.00 N ATOM 784 CA LYS A 50 -0.039 13.664 -0.133 1.00 0.00 C ATOM 785 C LYS A 50 -0.085 12.878 -1.432 1.00 0.00 C ATOM 786 O LYS A 50 -0.402 11.689 -1.436 1.00 0.00 O ATOM 787 CB LYS A 50 -1.371 14.367 0.083 1.00 0.00 C ATOM 788 CG LYS A 50 -1.463 15.118 1.401 1.00 0.00 C ATOM 789 CD LYS A 50 -2.691 14.706 2.198 1.00 0.00 C ATOM 790 CE LYS A 50 -3.078 15.768 3.213 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.086 16.718 2.667 1.00 0.00 N ATOM 0 H LYS A 50 0.774 15.597 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 50 0.133 12.981 0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.538 15.067 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.172 13.629 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.566 14.929 1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.497 16.190 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.525 14.530 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.494 13.765 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.478 15.288 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.189 16.319 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.323 17.426 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.695 17.196 1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.945 16.197 2.399 1.00 0.00 H new ATOM 805 N LYS A 51 0.254 13.539 -2.536 1.00 0.00 N ATOM 806 CA LYS A 51 0.267 12.879 -3.832 1.00 0.00 C ATOM 807 C LYS A 51 1.149 11.640 -3.763 1.00 0.00 C ATOM 808 O LYS A 51 0.897 10.640 -4.436 1.00 0.00 O ATOM 809 CB LYS A 51 0.768 13.833 -4.920 1.00 0.00 C ATOM 810 CG LYS A 51 -0.245 14.077 -6.028 1.00 0.00 C ATOM 811 CD LYS A 51 -1.503 14.742 -5.495 1.00 0.00 C ATOM 812 CE LYS A 51 -2.667 14.584 -6.459 1.00 0.00 C ATOM 813 NZ LYS A 51 -3.312 13.247 -6.335 1.00 0.00 N ATOM 0 H LYS A 51 0.521 14.523 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.750 12.581 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.031 14.787 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.681 13.427 -5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.201 14.705 -6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.505 13.130 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.766 14.306 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.312 15.801 -5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.405 15.363 -6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.314 14.724 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.101 13.178 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.614 12.504 -6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.672 13.124 -5.367 1.00 0.00 H new ATOM 827 N GLN A 52 2.173 11.711 -2.918 1.00 0.00 N ATOM 828 CA GLN A 52 3.082 10.595 -2.726 1.00 0.00 C ATOM 829 C GLN A 52 2.493 9.600 -1.730 1.00 0.00 C ATOM 830 O GLN A 52 2.899 8.440 -1.685 1.00 0.00 O ATOM 831 CB GLN A 52 4.441 11.092 -2.231 1.00 0.00 C ATOM 832 CG GLN A 52 5.163 11.984 -3.229 1.00 0.00 C ATOM 833 CD GLN A 52 6.287 11.263 -3.948 1.00 0.00 C ATOM 834 OE1 GLN A 52 6.200 10.991 -5.145 1.00 0.00 O ATOM 835 NE2 GLN A 52 7.350 10.948 -3.217 1.00 0.00 N ATOM 0 H GLN A 52 2.391 12.534 -2.356 1.00 0.00 H new ATOM 0 HA GLN A 52 3.222 10.094 -3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.301 11.642 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.071 10.233 -2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.447 12.356 -3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.567 12.852 -2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.379 11.193 -2.227 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.137 10.461 -3.645 1.00 0.00 H new ATOM 844 N LYS A 53 1.523 10.060 -0.936 1.00 0.00 N ATOM 845 CA LYS A 53 0.872 9.207 0.050 1.00 0.00 C ATOM 846 C LYS A 53 0.084 8.104 -0.637 1.00 0.00 C ATOM 847 O LYS A 53 0.372 6.918 -0.473 1.00 0.00 O ATOM 848 CB LYS A 53 -0.069 10.036 0.917 1.00 0.00 C ATOM 849 CG LYS A 53 -0.297 9.453 2.303 1.00 0.00 C ATOM 850 CD LYS A 53 -1.139 10.379 3.165 1.00 0.00 C ATOM 851 CE LYS A 53 -2.607 9.989 3.133 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.265 10.189 4.454 1.00 0.00 N ATOM 0 H LYS A 53 1.174 11.018 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 53 1.642 8.756 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.337 11.043 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.029 10.129 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.792 8.486 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.663 9.277 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.776 10.351 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.027 11.405 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.123 10.581 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.698 8.944 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.265 9.911 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.789 9.605 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.201 11.191 4.726 1.00 0.00 H new ATOM 866 N LEU A 54 -0.907 8.511 -1.417 1.00 0.00 N ATOM 867 CA LEU A 54 -1.741 7.571 -2.150 1.00 0.00 C ATOM 868 C LEU A 54 -0.889 6.749 -3.104 1.00 0.00 C ATOM 869 O LEU A 54 -1.253 5.636 -3.481 1.00 0.00 O ATOM 870 CB LEU A 54 -2.832 8.316 -2.924 1.00 0.00 C ATOM 871 CG LEU A 54 -3.676 7.447 -3.861 1.00 0.00 C ATOM 872 CD1 LEU A 54 -4.187 6.215 -3.130 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.834 8.251 -4.430 1.00 0.00 C ATOM 0 H LEU A 54 -1.153 9.491 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.219 6.900 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.496 8.801 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.364 9.106 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.047 7.117 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.785 5.609 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.342 5.629 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.802 6.523 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.424 7.619 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.463 8.609 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.446 9.102 -4.989 1.00 0.00 H new ATOM 885 N LYS A 55 0.259 7.304 -3.479 1.00 0.00 N ATOM 886 CA LYS A 55 1.174 6.616 -4.376 1.00 0.00 C ATOM 887 C LYS A 55 1.965 5.582 -3.602 1.00 0.00 C ATOM 888 O LYS A 55 1.958 4.399 -3.939 1.00 0.00 O ATOM 889 CB LYS A 55 2.113 7.608 -5.065 1.00 0.00 C ATOM 890 CG LYS A 55 2.846 7.020 -6.260 1.00 0.00 C ATOM 891 CD LYS A 55 2.076 7.246 -7.552 1.00 0.00 C ATOM 892 CE LYS A 55 3.014 7.464 -8.728 1.00 0.00 C ATOM 893 NZ LYS A 55 3.237 8.910 -8.999 1.00 0.00 N ATOM 0 H LYS A 55 0.575 8.225 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 55 0.594 6.114 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.537 8.474 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.844 7.967 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.835 7.472 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.996 5.951 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.436 6.387 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.423 8.111 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.970 6.981 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.599 6.988 -9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.882 9.016 -9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.329 9.366 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.657 9.360 -8.160 1.00 0.00 H new ATOM 907 N LEU A 56 2.611 6.026 -2.534 1.00 0.00 N ATOM 908 CA LEU A 56 3.359 5.118 -1.690 1.00 0.00 C ATOM 909 C LEU A 56 2.387 4.190 -0.973 1.00 0.00 C ATOM 910 O LEU A 56 2.791 3.197 -0.369 1.00 0.00 O ATOM 911 CB LEU A 56 4.206 5.888 -0.674 1.00 0.00 C ATOM 912 CG LEU A 56 5.622 6.230 -1.141 1.00 0.00 C ATOM 913 CD1 LEU A 56 6.466 4.970 -1.248 1.00 0.00 C ATOM 914 CD2 LEU A 56 5.583 6.964 -2.473 1.00 0.00 C ATOM 0 H LEU A 56 2.630 7.001 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 56 4.036 4.531 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.690 6.814 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.273 5.299 0.241 1.00 0.00 H new ATOM 0 HG LEU A 56 6.079 6.888 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.470 5.232 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.522 4.486 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.012 4.288 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.599 7.199 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.107 6.332 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.015 7.888 -2.363 1.00 0.00 H new ATOM 926 N LYS A 57 1.091 4.511 -1.065 1.00 0.00 N ATOM 927 CA LYS A 57 0.065 3.686 -0.446 1.00 0.00 C ATOM 928 C LYS A 57 -0.328 2.562 -1.390 1.00 0.00 C ATOM 929 O LYS A 57 -0.739 1.490 -0.957 1.00 0.00 O ATOM 930 CB LYS A 57 -1.167 4.522 -0.089 1.00 0.00 C ATOM 931 CG LYS A 57 -2.347 3.688 0.393 1.00 0.00 C ATOM 932 CD LYS A 57 -3.644 4.483 0.361 1.00 0.00 C ATOM 933 CE LYS A 57 -4.742 3.731 -0.374 1.00 0.00 C ATOM 934 NZ LYS A 57 -5.334 2.651 0.465 1.00 0.00 N ATOM 0 H LYS A 57 0.737 5.330 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 57 0.470 3.264 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.898 5.239 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.472 5.098 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.447 2.802 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.157 3.341 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.967 4.695 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.471 5.443 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.524 4.430 -0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.336 3.299 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.078 2.163 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.593 1.970 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.744 3.066 1.326 1.00 0.00 H new ATOM 948 N ASP A 58 -0.197 2.817 -2.687 1.00 0.00 N ATOM 949 CA ASP A 58 -0.535 1.822 -3.689 1.00 0.00 C ATOM 950 C ASP A 58 0.363 0.602 -3.547 1.00 0.00 C ATOM 951 O ASP A 58 -0.070 -0.525 -3.774 1.00 0.00 O ATOM 952 CB ASP A 58 -0.405 2.410 -5.095 1.00 0.00 C ATOM 953 CG ASP A 58 -1.667 3.122 -5.543 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.404 3.630 -4.672 1.00 0.00 O ATOM 955 OD2 ASP A 58 -1.918 3.173 -6.765 1.00 0.00 O ATOM 0 H ASP A 58 0.140 3.702 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.570 1.517 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.431 3.109 -5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.172 1.612 -5.800 1.00 0.00 H new ATOM 960 N GLU A 59 1.613 0.834 -3.162 1.00 0.00 N ATOM 961 CA GLU A 59 2.564 -0.255 -2.984 1.00 0.00 C ATOM 962 C GLU A 59 2.258 -1.038 -1.712 1.00 0.00 C ATOM 963 O GLU A 59 2.317 -2.268 -1.700 1.00 0.00 O ATOM 964 CB GLU A 59 3.993 0.284 -2.936 1.00 0.00 C ATOM 965 CG GLU A 59 4.199 1.377 -1.901 1.00 0.00 C ATOM 966 CD GLU A 59 5.660 1.746 -1.724 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.428 1.613 -2.700 1.00 0.00 O ATOM 968 OE2 GLU A 59 6.036 2.167 -0.609 1.00 0.00 O ATOM 0 H GLU A 59 1.989 1.762 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 59 2.470 -0.928 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.675 -0.539 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.259 0.672 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.638 2.263 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.793 1.048 -0.945 1.00 0.00 H new ATOM 975 N ILE A 60 1.918 -0.321 -0.648 1.00 0.00 N ATOM 976 CA ILE A 60 1.587 -0.953 0.621 1.00 0.00 C ATOM 977 C ILE A 60 0.194 -1.564 0.548 1.00 0.00 C ATOM 978 O ILE A 60 -0.060 -2.631 1.104 1.00 0.00 O ATOM 979 CB ILE A 60 1.648 0.055 1.792 1.00 0.00 C ATOM 980 CG1 ILE A 60 3.094 0.497 2.040 1.00 0.00 C ATOM 981 CG2 ILE A 60 1.043 -0.544 3.056 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.926 -0.519 2.800 1.00 0.00 C ATOM 0 H ILE A 60 1.865 0.698 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 60 2.325 -1.733 0.806 1.00 0.00 H new ATOM 0 HB ILE A 60 1.060 0.932 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.571 0.699 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.087 1.435 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.097 0.184 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.001 -0.805 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.597 -1.440 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.936 -0.133 2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.474 -0.704 3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.966 -1.451 2.236 1.00 0.00 H new ATOM 994 N HIS A 61 -0.698 -0.881 -0.162 1.00 0.00 N ATOM 995 CA HIS A 61 -2.062 -1.355 -0.335 1.00 0.00 C ATOM 996 C HIS A 61 -2.071 -2.538 -1.285 1.00 0.00 C ATOM 997 O HIS A 61 -2.797 -3.511 -1.081 1.00 0.00 O ATOM 998 CB HIS A 61 -2.957 -0.238 -0.875 1.00 0.00 C ATOM 999 CG HIS A 61 -4.413 -0.585 -0.873 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.017 -1.291 0.147 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.389 -0.318 -1.772 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.300 -1.446 -0.128 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.551 -0.864 -1.286 1.00 0.00 N ATOM 0 H HIS A 61 -0.498 0.004 -0.627 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.453 -1.666 0.634 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.805 0.660 -0.276 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.650 0.002 -1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.275 0.224 -2.699 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.021 -1.961 0.490 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.461 -0.826 -1.745 1.00 0.00 H new ATOM 1012 N SER A 62 -1.241 -2.453 -2.318 1.00 0.00 N ATOM 1013 CA SER A 62 -1.136 -3.528 -3.293 1.00 0.00 C ATOM 1014 C SER A 62 -0.533 -4.765 -2.641 1.00 0.00 C ATOM 1015 O SER A 62 -0.855 -5.893 -3.012 1.00 0.00 O ATOM 1016 CB SER A 62 -0.281 -3.099 -4.487 1.00 0.00 C ATOM 1017 OG SER A 62 -0.992 -2.211 -5.331 1.00 0.00 O ATOM 0 H SER A 62 -0.634 -1.654 -2.500 1.00 0.00 H new ATOM 0 HA SER A 62 -2.137 -3.763 -3.654 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.630 -2.617 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.024 -3.978 -5.054 1.00 0.00 H new ATOM 0 HG SER A 62 -1.104 -1.349 -4.879 1.00 0.00 H new ATOM 1023 N MET A 63 0.342 -4.547 -1.660 1.00 0.00 N ATOM 1024 CA MET A 63 0.980 -5.651 -0.956 1.00 0.00 C ATOM 1025 C MET A 63 -0.062 -6.532 -0.275 1.00 0.00 C ATOM 1026 O MET A 63 0.058 -7.757 -0.265 1.00 0.00 O ATOM 1027 CB MET A 63 1.980 -5.120 0.073 1.00 0.00 C ATOM 1028 CG MET A 63 3.316 -5.846 0.054 1.00 0.00 C ATOM 1029 SD MET A 63 4.122 -5.784 -1.557 1.00 0.00 S ATOM 1030 CE MET A 63 5.467 -6.939 -1.305 1.00 0.00 C ATOM 0 H MET A 63 0.622 -3.620 -1.338 1.00 0.00 H new ATOM 0 HA MET A 63 1.517 -6.257 -1.686 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.150 -4.059 -0.111 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.544 -5.205 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.975 -5.405 0.802 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.163 -6.887 0.339 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.081 -6.984 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.078 -6.609 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.062 -7.928 -1.092 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.093 -5.904 0.284 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.156 -6.643 0.953 1.00 0.00 C ATOM 1042 C ILE A 64 -2.929 -7.485 -0.049 1.00 0.00 C ATOM 1043 O ILE A 64 -3.316 -8.615 0.244 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.135 -5.701 1.679 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.404 -4.922 2.772 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.304 -6.482 2.268 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.493 -3.426 2.596 1.00 0.00 C ATOM 0 H ILE A 64 -1.214 -4.891 0.287 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.682 -7.288 1.692 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.535 -4.993 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.820 -5.193 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.355 -5.219 2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.981 -5.795 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.839 -6.995 1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.929 -7.215 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.954 -2.932 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.051 -3.145 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.539 -3.119 2.616 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.141 -6.934 -1.237 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.856 -7.649 -2.283 1.00 0.00 C ATOM 1061 C ILE A 65 -3.159 -8.966 -2.586 1.00 0.00 C ATOM 1062 O ILE A 65 -3.797 -10.014 -2.678 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.948 -6.818 -3.576 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.467 -5.409 -3.276 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.842 -7.516 -4.592 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.774 -5.393 -2.508 1.00 0.00 C ATOM 0 H ILE A 65 -2.829 -5.999 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.866 -7.836 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.948 -6.728 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.713 -4.867 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.601 -4.873 -4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.897 -6.916 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.428 -8.496 -4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.842 -7.636 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.080 -4.362 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.542 -5.906 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.641 -5.900 -1.552 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.839 -8.903 -2.719 1.00 0.00 N ATOM 1079 CA GLU A 66 -1.047 -10.093 -2.984 1.00 0.00 C ATOM 1080 C GLU A 66 -0.897 -10.917 -1.709 1.00 0.00 C ATOM 1081 O GLU A 66 -0.528 -12.090 -1.757 1.00 0.00 O ATOM 1082 CB GLU A 66 0.330 -9.710 -3.530 1.00 0.00 C ATOM 1083 CG GLU A 66 0.355 -9.523 -5.039 1.00 0.00 C ATOM 1084 CD GLU A 66 1.750 -9.649 -5.619 1.00 0.00 C ATOM 1085 OE1 GLU A 66 2.623 -8.835 -5.249 1.00 0.00 O ATOM 1086 OE2 GLU A 66 1.970 -10.562 -6.443 1.00 0.00 O ATOM 0 H GLU A 66 -1.298 -8.041 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.562 -10.693 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.657 -8.787 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.048 -10.483 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.296 -10.263 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.050 -8.542 -5.287 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.190 -10.294 -0.567 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.092 -10.974 0.718 1.00 0.00 C ATOM 1095 C TYR A 67 -2.381 -11.724 1.033 1.00 0.00 C ATOM 1096 O TYR A 67 -2.350 -12.832 1.567 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.794 -9.968 1.829 1.00 0.00 C ATOM 1098 CG TYR A 67 -0.134 -10.586 3.041 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.843 -11.430 3.886 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.199 -10.328 3.338 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -0.244 -11.997 4.995 1.00 0.00 C ATOM 1102 CE2 TYR A 67 1.805 -10.892 4.445 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.080 -11.726 5.269 1.00 0.00 C ATOM 1104 OH TYR A 67 1.679 -12.290 6.372 1.00 0.00 O ATOM 0 H TYR A 67 -1.496 -9.323 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.276 -11.694 0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.149 -9.183 1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.725 -9.491 2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.879 -11.647 3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.770 -9.676 2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.810 -12.649 5.644 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.841 -10.680 4.663 1.00 0.00 H new ATOM 0 HH TYR A 67 2.614 -11.999 6.421 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.511 -11.112 0.696 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.810 -11.723 0.939 1.00 0.00 C ATOM 1116 C ARG A 68 -5.086 -12.821 -0.083 1.00 0.00 C ATOM 1117 O ARG A 68 -5.807 -13.778 0.199 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.915 -10.664 0.892 1.00 0.00 C ATOM 1119 CG ARG A 68 -6.072 -10.009 -0.471 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.484 -9.485 -0.679 1.00 0.00 C ATOM 1121 NE ARG A 68 -8.246 -10.317 -1.608 1.00 0.00 N ATOM 1122 CZ ARG A 68 -9.404 -9.949 -2.155 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -9.935 -8.767 -1.869 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -10.031 -10.766 -2.989 1.00 0.00 N ATOM 0 H ARG A 68 -3.552 -10.194 0.254 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.798 -12.171 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.861 -11.125 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.701 -9.894 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.361 -9.188 -0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.832 -10.730 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.001 -9.446 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.440 -8.464 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.869 -11.233 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.456 -8.135 -1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.822 -8.491 -2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.627 -11.676 -3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.917 -10.485 -3.408 1.00 0.00 H new ATOM 1138 N GLU A 69 -4.497 -12.680 -1.265 1.00 0.00 N ATOM 1139 CA GLU A 69 -4.667 -13.666 -2.326 1.00 0.00 C ATOM 1140 C GLU A 69 -3.626 -14.776 -2.201 1.00 0.00 C ATOM 1141 O GLU A 69 -3.777 -15.845 -2.784 1.00 0.00 O ATOM 1142 CB GLU A 69 -4.562 -12.996 -3.699 1.00 0.00 C ATOM 1143 CG GLU A 69 -5.693 -13.370 -4.645 1.00 0.00 C ATOM 1144 CD GLU A 69 -5.918 -12.330 -5.725 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -5.493 -11.171 -5.531 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -6.518 -12.674 -6.765 1.00 0.00 O ATOM 0 H GLU A 69 -3.898 -11.893 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.658 -14.108 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.552 -11.914 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.611 -13.270 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.470 -14.330 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.612 -13.499 -4.073 1.00 0.00 H new ATOM 1153 N LYS A 70 -2.579 -14.516 -1.422 1.00 0.00 N ATOM 1154 CA LYS A 70 -1.524 -15.485 -1.194 1.00 0.00 C ATOM 1155 C LYS A 70 -1.864 -16.324 0.024 1.00 0.00 C ATOM 1156 O LYS A 70 -1.670 -17.534 0.032 1.00 0.00 O ATOM 1157 CB LYS A 70 -0.179 -14.778 -0.997 1.00 0.00 C ATOM 1158 CG LYS A 70 0.929 -15.697 -0.504 1.00 0.00 C ATOM 1159 CD LYS A 70 2.304 -15.127 -0.808 1.00 0.00 C ATOM 1160 CE LYS A 70 3.380 -15.785 0.040 1.00 0.00 C ATOM 1161 NZ LYS A 70 4.745 -15.337 -0.348 1.00 0.00 N ATOM 0 H LYS A 70 -2.443 -13.630 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.441 -16.134 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.127 -14.329 -1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.308 -13.964 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.826 -15.848 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.828 -16.675 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.533 -15.271 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.302 -14.052 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.207 -15.552 1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.311 -16.868 -0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.450 -15.809 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.921 -15.582 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.820 -14.307 -0.226 1.00 0.00 H new ATOM 1175 N GLN A 71 -2.389 -15.666 1.053 1.00 0.00 N ATOM 1176 CA GLN A 71 -2.775 -16.355 2.273 1.00 0.00 C ATOM 1177 C GLN A 71 -4.046 -17.151 2.036 1.00 0.00 C ATOM 1178 O GLN A 71 -4.254 -18.198 2.643 1.00 0.00 O ATOM 1179 CB GLN A 71 -2.974 -15.357 3.418 1.00 0.00 C ATOM 1180 CG GLN A 71 -4.189 -14.459 3.244 1.00 0.00 C ATOM 1181 CD GLN A 71 -4.270 -13.378 4.303 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -4.015 -12.205 4.028 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -4.629 -13.766 5.520 1.00 0.00 N ATOM 0 H GLN A 71 -2.555 -14.660 1.064 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.976 -17.040 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.071 -15.907 4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.083 -14.735 3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.155 -13.995 2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.093 -15.066 3.280 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.831 -14.749 5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.703 -13.081 6.272 1.00 0.00 H new ATOM 1192 N LYS A 72 -4.888 -16.665 1.136 1.00 0.00 N ATOM 1193 CA LYS A 72 -6.123 -17.362 0.820 1.00 0.00 C ATOM 1194 C LYS A 72 -5.870 -18.426 -0.236 1.00 0.00 C ATOM 1195 O LYS A 72 -6.580 -19.425 -0.312 1.00 0.00 O ATOM 1196 CB LYS A 72 -7.201 -16.382 0.352 1.00 0.00 C ATOM 1197 CG LYS A 72 -8.617 -16.897 0.550 1.00 0.00 C ATOM 1198 CD LYS A 72 -9.590 -16.237 -0.414 1.00 0.00 C ATOM 1199 CE LYS A 72 -10.274 -15.037 0.219 1.00 0.00 C ATOM 1200 NZ LYS A 72 -11.246 -14.398 -0.710 1.00 0.00 N ATOM 0 H LYS A 72 -4.740 -15.800 0.617 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.484 -17.848 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.086 -15.443 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.047 -16.163 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.636 -17.977 0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.934 -16.707 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.057 -15.922 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.341 -16.962 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.791 -15.350 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.522 -14.306 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.691 -13.584 -0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.749 -14.076 -1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.978 -15.088 -0.975 1.00 0.00 H new ATOM 1214 N SER A 73 -4.829 -18.226 -1.027 1.00 0.00 N ATOM 1215 CA SER A 73 -4.462 -19.197 -2.040 1.00 0.00 C ATOM 1216 C SER A 73 -3.542 -20.222 -1.408 1.00 0.00 C ATOM 1217 O SER A 73 -3.600 -21.412 -1.719 1.00 0.00 O ATOM 1218 CB SER A 73 -3.759 -18.522 -3.209 1.00 0.00 C ATOM 1219 OG SER A 73 -4.672 -17.778 -3.997 1.00 0.00 O ATOM 0 H SER A 73 -4.227 -17.404 -0.987 1.00 0.00 H new ATOM 0 HA SER A 73 -5.362 -19.678 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.977 -17.862 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.271 -19.276 -3.827 1.00 0.00 H new ATOM 0 HG SER A 73 -4.505 -16.820 -3.875 1.00 0.00 H new ATOM 1225 N GLU A 74 -2.694 -19.742 -0.501 1.00 0.00 N ATOM 1226 CA GLU A 74 -1.756 -20.607 0.198 1.00 0.00 C ATOM 1227 C GLU A 74 -2.412 -21.263 1.412 1.00 0.00 C ATOM 1228 O GLU A 74 -2.277 -22.469 1.616 1.00 0.00 O ATOM 1229 CB GLU A 74 -0.519 -19.822 0.638 1.00 0.00 C ATOM 1230 CG GLU A 74 0.628 -20.704 1.104 1.00 0.00 C ATOM 1231 CD GLU A 74 1.675 -19.934 1.885 1.00 0.00 C ATOM 1232 OE1 GLU A 74 1.810 -18.714 1.654 1.00 0.00 O ATOM 1233 OE2 GLU A 74 2.359 -20.551 2.729 1.00 0.00 O ATOM 0 H GLU A 74 -2.640 -18.759 -0.235 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.450 -21.390 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.177 -19.204 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.797 -19.145 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.234 -21.508 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.097 -21.172 0.238 1.00 0.00 H new ATOM 1240 N ARG A 75 -3.126 -20.474 2.219 1.00 0.00 N ATOM 1241 CA ARG A 75 -3.790 -21.019 3.397 1.00 0.00 C ATOM 1242 C ARG A 75 -5.209 -21.455 3.066 1.00 0.00 C ATOM 1243 O ARG A 75 -5.720 -22.418 3.637 1.00 0.00 O ATOM 1244 CB ARG A 75 -3.805 -20.005 4.547 1.00 0.00 C ATOM 1245 CG ARG A 75 -2.521 -19.194 4.665 1.00 0.00 C ATOM 1246 CD ARG A 75 -2.115 -19.000 6.119 1.00 0.00 C ATOM 1247 NE ARG A 75 -0.699 -19.291 6.334 1.00 0.00 N ATOM 1248 CZ ARG A 75 -0.171 -19.566 7.525 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -0.935 -19.589 8.610 1.00 0.00 N ATOM 1250 NH2 ARG A 75 1.126 -19.819 7.632 1.00 0.00 N ATOM 0 H ARG A 75 -3.256 -19.472 2.079 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.222 -21.892 3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.644 -19.323 4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.977 -20.534 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.719 -19.700 4.127 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.659 -18.222 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.324 -17.974 6.420 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.719 -19.648 6.754 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.079 -19.283 5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.934 -19.395 8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.524 -19.800 9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.719 -19.803 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.531 -20.030 8.544 1.00 0.00 H new ATOM 1264 N ALA A 76 -5.842 -20.737 2.138 1.00 0.00 N ATOM 1265 CA ALA A 76 -7.213 -21.052 1.729 1.00 0.00 C ATOM 1266 C ALA A 76 -8.091 -21.412 2.925 1.00 0.00 C ATOM 1267 O ALA A 76 -7.772 -20.967 4.048 1.00 0.00 O ATOM 1268 CB ALA A 76 -7.213 -22.183 0.712 1.00 0.00 C ATOM 1269 OXT ALA A 76 -9.090 -22.135 2.729 1.00 0.00 O ATOM 0 H ALA A 76 -5.431 -19.937 1.657 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.635 -20.159 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.238 -22.407 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.640 -21.883 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.761 -23.071 1.155 1.00 0.00 H new TER 1275 ALA A 76