USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=17 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 16 ASN :FLIP amide:sc= -1.4! F(o=-3.2,f=-1.4!) USER MOD Set 1.2: A 63 MET CE :methyl 176:sc= 0 (180deg=-0.0267) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.035) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 10 SER OG : rot -35:sc= 0.0031 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 1.18 (180deg=0.437) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.905 F(o=-2.4,f=-0.91) USER MOD Single : A 18 HIS : no HD1:sc= -1 K(o=-1,f=-2.2) 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 : no HD1:sc= -1.68 K(o=-1.7,f=-2.5!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.45) USER MOD Single : A 39 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.21) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.83 F(o=-2.5,f=-1.8) USER MOD Single : A 42 SER OG : rot 39:sc= 0.284 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= 0.0514 K(o=0.051,f=-0.68) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= -0.185 (180deg=-1.22) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= -0.107 (180deg=-0.167) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc=-0.00945 (180deg=-0.0798) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.37) USER MOD Single : A 62 SER OG : rot 180:sc= 0 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= -0.321 K(o=-0.32,f=-2.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.636 -6.377 6.942 1.00 0.00 N ATOM 2 CA MET A 1 -16.193 -6.717 6.837 1.00 0.00 C ATOM 3 C MET A 1 -15.362 -5.489 6.477 1.00 0.00 C ATOM 4 O MET A 1 -15.423 -4.995 5.351 1.00 0.00 O ATOM 5 CB MET A 1 -16.025 -7.800 5.770 1.00 0.00 C ATOM 6 CG MET A 1 -14.952 -8.823 6.106 1.00 0.00 C ATOM 7 SD MET A 1 -15.431 -9.911 7.461 1.00 0.00 S ATOM 8 CE MET A 1 -15.566 -11.479 6.606 1.00 0.00 C ATOM 0 H1 MET A 1 -18.189 -7.248 7.070 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.786 -5.748 7.757 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.944 -5.896 6.073 1.00 0.00 H new ATOM 0 HA MET A 1 -15.839 -7.081 7.802 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.976 -8.315 5.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.779 -7.327 4.819 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.738 -9.423 5.222 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.031 -8.304 6.370 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.857 -12.255 7.314 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.319 -11.402 5.822 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.604 -11.735 6.161 1.00 0.00 H new ATOM 20 N PHE A 2 -14.587 -5.001 7.441 1.00 0.00 N ATOM 21 CA PHE A 2 -13.746 -3.830 7.225 1.00 0.00 C ATOM 22 C PHE A 2 -12.603 -3.785 8.235 1.00 0.00 C ATOM 23 O PHE A 2 -12.283 -2.729 8.780 1.00 0.00 O ATOM 24 CB PHE A 2 -14.581 -2.552 7.321 1.00 0.00 C ATOM 25 CG PHE A 2 -15.441 -2.487 8.551 1.00 0.00 C ATOM 26 CD1 PHE A 2 -16.546 -3.313 8.684 1.00 0.00 C ATOM 27 CD2 PHE A 2 -15.144 -1.601 9.574 1.00 0.00 C ATOM 28 CE1 PHE A 2 -17.339 -3.255 9.813 1.00 0.00 C ATOM 29 CE2 PHE A 2 -15.934 -1.538 10.706 1.00 0.00 C ATOM 30 CZ PHE A 2 -17.033 -2.367 10.826 1.00 0.00 C ATOM 0 H PHE A 2 -14.524 -5.398 8.378 1.00 0.00 H new ATOM 0 HA PHE A 2 -13.318 -3.901 6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -13.914 -1.690 7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -15.217 -2.476 6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -16.790 -4.010 7.896 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -14.285 -0.952 9.486 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -18.198 -3.903 9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -15.693 -0.842 11.496 1.00 0.00 H new ATOM 0 HZ PHE A 2 -17.652 -2.321 11.710 1.00 0.00 H new ATOM 40 N HIS A 3 -11.993 -4.940 8.481 1.00 0.00 N ATOM 41 CA HIS A 3 -10.885 -5.035 9.426 1.00 0.00 C ATOM 42 C HIS A 3 -9.578 -5.386 8.715 1.00 0.00 C ATOM 43 O HIS A 3 -8.497 -5.196 9.264 1.00 0.00 O ATOM 44 CB HIS A 3 -11.191 -6.082 10.497 1.00 0.00 C ATOM 45 CG HIS A 3 -12.532 -5.906 11.140 1.00 0.00 C ATOM 46 ND1 HIS A 3 -12.810 -4.896 12.037 1.00 0.00 N ATOM 47 CD2 HIS A 3 -13.677 -6.616 11.010 1.00 0.00 C ATOM 48 CE1 HIS A 3 -14.067 -4.994 12.432 1.00 0.00 C ATOM 49 NE2 HIS A 3 -14.615 -6.029 11.823 1.00 0.00 N ATOM 0 H HIS A 3 -12.247 -5.824 8.039 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.765 -4.060 9.899 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.139 -7.074 10.049 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.420 -6.039 11.266 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.825 -7.483 10.383 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.562 -4.339 13.134 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -15.579 -6.342 11.938 1.00 0.00 H new ATOM 58 N GLU A 4 -9.686 -5.901 7.493 1.00 0.00 N ATOM 59 CA GLU A 4 -8.515 -6.282 6.708 1.00 0.00 C ATOM 60 C GLU A 4 -7.774 -5.058 6.165 1.00 0.00 C ATOM 61 O GLU A 4 -6.722 -5.182 5.549 1.00 0.00 O ATOM 62 CB GLU A 4 -8.930 -7.192 5.552 1.00 0.00 C ATOM 63 CG GLU A 4 -9.836 -6.513 4.538 1.00 0.00 C ATOM 64 CD GLU A 4 -10.635 -7.504 3.713 1.00 0.00 C ATOM 65 OE1 GLU A 4 -10.067 -8.545 3.323 1.00 0.00 O ATOM 66 OE2 GLU A 4 -11.828 -7.237 3.458 1.00 0.00 O ATOM 0 H GLU A 4 -10.577 -6.065 7.023 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.835 -6.819 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.035 -7.551 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.441 -8.067 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.521 -5.844 5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.232 -5.896 3.873 1.00 0.00 H new ATOM 73 N PHE A 5 -8.325 -3.877 6.390 1.00 0.00 N ATOM 74 CA PHE A 5 -7.702 -2.651 5.922 1.00 0.00 C ATOM 75 C PHE A 5 -6.776 -2.078 6.983 1.00 0.00 C ATOM 76 O PHE A 5 -5.858 -1.321 6.678 1.00 0.00 O ATOM 77 CB PHE A 5 -8.759 -1.626 5.539 1.00 0.00 C ATOM 78 CG PHE A 5 -9.060 -1.590 4.068 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.378 -2.752 3.383 1.00 0.00 C ATOM 80 CD2 PHE A 5 -9.025 -0.394 3.371 1.00 0.00 C ATOM 81 CE1 PHE A 5 -9.656 -2.721 2.030 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.302 -0.356 2.017 1.00 0.00 C ATOM 83 CZ PHE A 5 -9.618 -1.521 1.346 1.00 0.00 C ATOM 0 H PHE A 5 -9.202 -3.742 6.893 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.110 -2.889 5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.678 -1.844 6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.426 -0.638 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.409 -3.693 3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.778 0.520 3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.903 -3.634 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.271 0.583 1.485 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.835 -1.494 0.288 1.00 0.00 H new ATOM 93 N ARG A 6 -7.027 -2.451 8.228 1.00 0.00 N ATOM 94 CA ARG A 6 -6.218 -1.995 9.344 1.00 0.00 C ATOM 95 C ARG A 6 -5.552 -3.191 10.005 1.00 0.00 C ATOM 96 O ARG A 6 -4.447 -3.088 10.536 1.00 0.00 O ATOM 97 CB ARG A 6 -7.072 -1.233 10.358 1.00 0.00 C ATOM 98 CG ARG A 6 -7.912 -0.128 9.739 1.00 0.00 C ATOM 99 CD ARG A 6 -9.213 -0.666 9.163 1.00 0.00 C ATOM 100 NE ARG A 6 -10.373 -0.260 9.955 1.00 0.00 N ATOM 101 CZ ARG A 6 -10.905 -0.992 10.934 1.00 0.00 C ATOM 102 NH1 ARG A 6 -10.387 -2.172 11.252 1.00 0.00 N ATOM 103 NH2 ARG A 6 -11.959 -0.539 11.600 1.00 0.00 N ATOM 0 H ARG A 6 -7.791 -3.073 8.491 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.452 -1.314 8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.731 -1.937 10.867 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.420 -0.800 11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.133 0.627 10.493 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.342 0.365 8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.331 -0.310 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.167 -1.754 9.119 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.803 0.641 9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.575 -2.526 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.801 -2.725 12.003 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.361 0.368 11.363 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.367 -1.098 12.349 1.00 0.00 H new ATOM 117 N ASP A 7 -6.229 -4.336 9.946 1.00 0.00 N ATOM 118 CA ASP A 7 -5.695 -5.557 10.516 1.00 0.00 C ATOM 119 C ASP A 7 -4.835 -6.272 9.491 1.00 0.00 C ATOM 120 O ASP A 7 -3.859 -6.929 9.847 1.00 0.00 O ATOM 121 CB ASP A 7 -6.816 -6.479 10.999 1.00 0.00 C ATOM 122 CG ASP A 7 -7.776 -5.783 11.944 1.00 0.00 C ATOM 123 OD1 ASP A 7 -8.120 -4.611 11.685 1.00 0.00 O ATOM 124 OD2 ASP A 7 -8.187 -6.412 12.942 1.00 0.00 O ATOM 0 H ASP A 7 -7.145 -4.437 9.509 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.083 -5.292 11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.368 -6.855 10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.380 -7.343 11.501 1.00 0.00 H new ATOM 129 N GLU A 8 -5.168 -6.118 8.209 1.00 0.00 N ATOM 130 CA GLU A 8 -4.364 -6.739 7.172 1.00 0.00 C ATOM 131 C GLU A 8 -3.281 -5.767 6.750 1.00 0.00 C ATOM 132 O GLU A 8 -2.169 -6.165 6.418 1.00 0.00 O ATOM 133 CB GLU A 8 -5.208 -7.174 5.973 1.00 0.00 C ATOM 134 CG GLU A 8 -4.864 -8.565 5.464 1.00 0.00 C ATOM 135 CD GLU A 8 -5.396 -8.825 4.069 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.335 -8.116 3.650 1.00 0.00 O ATOM 137 OE2 GLU A 8 -4.874 -9.737 3.394 1.00 0.00 O ATOM 0 H GLU A 8 -5.969 -5.582 7.875 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.912 -7.646 7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.262 -7.147 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.074 -6.456 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.781 -8.690 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.271 -9.309 6.148 1.00 0.00 H new ATOM 144 N ILE A 9 -3.597 -4.477 6.795 1.00 0.00 N ATOM 145 CA ILE A 9 -2.611 -3.467 6.442 1.00 0.00 C ATOM 146 C ILE A 9 -1.544 -3.375 7.518 1.00 0.00 C ATOM 147 O ILE A 9 -0.409 -3.011 7.237 1.00 0.00 O ATOM 148 CB ILE A 9 -3.242 -2.072 6.239 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.961 -1.999 4.889 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.181 -0.981 6.333 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.826 -3.204 4.594 1.00 0.00 C ATOM 0 H ILE A 9 -4.510 -4.113 7.067 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.169 -3.778 5.496 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.973 -1.911 7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.582 -1.103 4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.219 -1.893 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.647 -0.007 6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.711 -1.015 7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.426 -1.141 5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.303 -3.080 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.208 -4.102 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.592 -3.300 5.364 1.00 0.00 H new ATOM 163 N SER A 10 -1.914 -3.680 8.754 1.00 0.00 N ATOM 164 CA SER A 10 -0.961 -3.593 9.850 1.00 0.00 C ATOM 165 C SER A 10 -0.212 -4.903 10.087 1.00 0.00 C ATOM 166 O SER A 10 0.855 -4.903 10.700 1.00 0.00 O ATOM 167 CB SER A 10 -1.664 -3.149 11.133 1.00 0.00 C ATOM 168 OG SER A 10 -0.731 -2.669 12.087 1.00 0.00 O ATOM 0 H SER A 10 -2.850 -3.985 9.020 1.00 0.00 H new ATOM 0 HA SER A 10 -0.219 -2.848 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.388 -2.367 10.903 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.221 -3.986 11.554 1.00 0.00 H new ATOM 0 HG SER A 10 0.097 -3.190 12.026 1.00 0.00 H new ATOM 174 N VAL A 11 -0.768 -6.019 9.630 1.00 0.00 N ATOM 175 CA VAL A 11 -0.121 -7.312 9.838 1.00 0.00 C ATOM 176 C VAL A 11 0.834 -7.680 8.702 1.00 0.00 C ATOM 177 O VAL A 11 1.857 -8.319 8.936 1.00 0.00 O ATOM 178 CB VAL A 11 -1.157 -8.442 10.029 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.475 -9.802 10.098 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.984 -8.197 11.281 1.00 0.00 C ATOM 0 H VAL A 11 -1.651 -6.058 9.121 1.00 0.00 H new ATOM 0 HA VAL A 11 0.465 -7.208 10.751 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.822 -8.442 9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.227 -10.580 10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.072 -9.982 9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.219 -9.819 10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.709 -9.002 11.401 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.328 -8.167 12.151 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.509 -7.246 11.190 1.00 0.00 H new ATOM 190 N LEU A 12 0.505 -7.286 7.481 1.00 0.00 N ATOM 191 CA LEU A 12 1.359 -7.597 6.336 1.00 0.00 C ATOM 192 C LEU A 12 2.382 -6.496 6.110 1.00 0.00 C ATOM 193 O LEU A 12 3.553 -6.766 5.849 1.00 0.00 O ATOM 194 CB LEU A 12 0.521 -7.797 5.075 1.00 0.00 C ATOM 195 CG LEU A 12 -0.855 -8.408 5.318 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.683 -8.391 4.043 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.724 -9.825 5.858 1.00 0.00 C ATOM 0 H LEU A 12 -0.337 -6.756 7.255 1.00 0.00 H new ATOM 0 HA LEU A 12 1.888 -8.524 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.394 -6.833 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.072 -8.437 4.386 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.371 -7.805 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.661 -8.831 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.809 -7.363 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.173 -8.967 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.716 -10.244 6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.187 -10.441 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.175 -9.806 6.799 1.00 0.00 H new ATOM 209 N LYS A 13 1.933 -5.256 6.220 1.00 0.00 N ATOM 210 CA LYS A 13 2.818 -4.111 6.034 1.00 0.00 C ATOM 211 C LYS A 13 3.857 -4.058 7.142 1.00 0.00 C ATOM 212 O LYS A 13 5.034 -3.784 6.901 1.00 0.00 O ATOM 213 CB LYS A 13 2.015 -2.811 6.036 1.00 0.00 C ATOM 214 CG LYS A 13 2.867 -1.556 5.938 1.00 0.00 C ATOM 215 CD LYS A 13 2.171 -0.362 6.573 1.00 0.00 C ATOM 216 CE LYS A 13 2.002 -0.549 8.072 1.00 0.00 C ATOM 217 NZ LYS A 13 1.622 0.721 8.751 1.00 0.00 N ATOM 0 H LYS A 13 0.966 -5.014 6.436 1.00 0.00 H new ATOM 0 HA LYS A 13 3.320 -4.224 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.314 -2.828 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.422 -2.764 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.825 -1.725 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.081 -1.340 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.749 0.542 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.194 -0.220 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.238 -1.304 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.932 -0.924 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.304 0.515 9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.445 1.356 8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.852 1.180 8.224 1.00 0.00 H new ATOM 231 N ALA A 14 3.403 -4.309 8.358 1.00 0.00 N ATOM 232 CA ALA A 14 4.267 -4.281 9.524 1.00 0.00 C ATOM 233 C ALA A 14 5.092 -5.560 9.656 1.00 0.00 C ATOM 234 O ALA A 14 5.917 -5.676 10.563 1.00 0.00 O ATOM 235 CB ALA A 14 3.436 -4.049 10.775 1.00 0.00 C ATOM 0 H ALA A 14 2.430 -4.537 8.564 1.00 0.00 H new ATOM 0 HA ALA A 14 4.971 -3.458 9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.089 -4.029 11.647 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.912 -3.097 10.692 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.710 -4.855 10.884 1.00 0.00 H new ATOM 241 N ASN A 15 4.864 -6.527 8.768 1.00 0.00 N ATOM 242 CA ASN A 15 5.600 -7.792 8.836 1.00 0.00 C ATOM 243 C ASN A 15 6.162 -8.225 7.488 1.00 0.00 C ATOM 244 O ASN A 15 6.791 -9.278 7.392 1.00 0.00 O ATOM 245 CB ASN A 15 4.708 -8.899 9.400 1.00 0.00 C ATOM 246 CG ASN A 15 4.210 -8.585 10.799 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.326 -7.600 10.906 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 4.616 -9.222 11.771 1.00 0.00 N flip ATOM 0 H ASN A 15 4.189 -6.464 8.006 1.00 0.00 H new ATOM 0 HA ASN A 15 6.447 -7.621 9.501 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.855 -9.047 8.738 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.264 -9.836 9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.296 -9.971 11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.272 -9.001 12.706 1.00 0.00 H new ATOM 255 N ASN A 16 5.957 -7.425 6.451 1.00 0.00 N ATOM 256 CA ASN A 16 6.481 -7.775 5.141 1.00 0.00 C ATOM 257 C ASN A 16 7.913 -7.265 4.997 1.00 0.00 C ATOM 258 O ASN A 16 8.167 -6.084 5.193 1.00 0.00 O ATOM 259 CB ASN A 16 5.602 -7.202 4.028 1.00 0.00 C ATOM 260 CG ASN A 16 4.529 -8.175 3.580 1.00 0.00 C ATOM 261 OD1 ASN A 16 4.410 -8.367 2.272 1.00 0.00 O flip ATOM 262 ND2 ASN A 16 3.815 -8.751 4.402 1.00 0.00 N flip ATOM 0 H ASN A 16 5.442 -6.546 6.490 1.00 0.00 H new ATOM 0 HA ASN A 16 6.478 -8.861 5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.132 -6.283 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.227 -6.937 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.940 -8.574 5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.099 -9.405 4.086 1.00 0.00 H new ATOM 269 N PRO A 17 8.876 -8.148 4.661 1.00 0.00 N ATOM 270 CA PRO A 17 10.283 -7.762 4.510 1.00 0.00 C ATOM 271 C PRO A 17 10.461 -6.531 3.642 1.00 0.00 C ATOM 272 O PRO A 17 11.334 -5.701 3.891 1.00 0.00 O ATOM 273 CB PRO A 17 10.943 -8.990 3.862 1.00 0.00 C ATOM 274 CG PRO A 17 9.821 -9.905 3.486 1.00 0.00 C ATOM 275 CD PRO A 17 8.683 -9.580 4.409 1.00 0.00 C ATOM 0 HA PRO A 17 10.727 -7.493 5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.525 -8.704 2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.629 -9.477 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.532 -9.758 2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.119 -10.948 3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.716 -9.784 3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.727 -10.163 5.329 1.00 0.00 H new ATOM 283 N HIS A 18 9.621 -6.413 2.636 1.00 0.00 N ATOM 284 CA HIS A 18 9.669 -5.276 1.738 1.00 0.00 C ATOM 285 C HIS A 18 9.334 -3.986 2.485 1.00 0.00 C ATOM 286 O HIS A 18 9.627 -2.889 2.009 1.00 0.00 O ATOM 287 CB HIS A 18 8.689 -5.504 0.597 1.00 0.00 C ATOM 288 CG HIS A 18 9.316 -5.424 -0.760 1.00 0.00 C ATOM 289 ND1 HIS A 18 10.061 -4.343 -1.184 1.00 0.00 N ATOM 290 CD2 HIS A 18 9.309 -6.302 -1.792 1.00 0.00 C ATOM 291 CE1 HIS A 18 10.483 -4.558 -2.417 1.00 0.00 C ATOM 292 NE2 HIS A 18 10.040 -5.739 -2.809 1.00 0.00 N ATOM 0 H HIS A 18 8.893 -7.093 2.418 1.00 0.00 H new ATOM 0 HA HIS A 18 10.677 -5.175 1.335 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.227 -6.484 0.717 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.890 -4.765 0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.820 -7.265 -1.811 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.087 -3.883 -3.005 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.213 -6.164 -3.720 1.00 0.00 H new ATOM 301 N PHE A 19 8.723 -4.125 3.663 1.00 0.00 N ATOM 302 CA PHE A 19 8.354 -2.971 4.474 1.00 0.00 C ATOM 303 C PHE A 19 9.555 -2.057 4.690 1.00 0.00 C ATOM 304 O PHE A 19 9.416 -0.843 4.795 1.00 0.00 O ATOM 305 CB PHE A 19 7.759 -3.423 5.818 1.00 0.00 C ATOM 306 CG PHE A 19 8.774 -3.824 6.864 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.862 -4.621 6.539 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.634 -3.401 8.177 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.786 -4.986 7.501 1.00 0.00 C ATOM 310 CE2 PHE A 19 9.555 -3.762 9.142 1.00 0.00 C ATOM 311 CZ PHE A 19 10.633 -4.555 8.803 1.00 0.00 C ATOM 0 H PHE A 19 8.475 -5.025 4.073 1.00 0.00 H new ATOM 0 HA PHE A 19 7.592 -2.405 3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.148 -2.614 6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.093 -4.267 5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.989 -4.961 5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.793 -2.780 8.449 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.627 -5.608 7.233 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.432 -3.424 10.160 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.355 -4.837 9.555 1.00 0.00 H new ATOM 321 N ASP A 20 10.740 -2.641 4.734 1.00 0.00 N ATOM 322 CA ASP A 20 11.959 -1.866 4.920 1.00 0.00 C ATOM 323 C ASP A 20 11.972 -0.658 3.994 1.00 0.00 C ATOM 324 O ASP A 20 12.162 0.474 4.430 1.00 0.00 O ATOM 325 CB ASP A 20 13.181 -2.731 4.645 1.00 0.00 C ATOM 326 CG ASP A 20 13.623 -3.517 5.862 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.364 -3.056 6.994 1.00 0.00 O ATOM 328 OD2 ASP A 20 14.230 -4.595 5.686 1.00 0.00 O ATOM 0 H ASP A 20 10.886 -3.646 4.644 1.00 0.00 H new ATOM 0 HA ASP A 20 11.988 -1.520 5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.957 -3.422 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.002 -2.098 4.308 1.00 0.00 H new ATOM 333 N LYS A 21 11.772 -0.920 2.712 1.00 0.00 N ATOM 334 CA LYS A 21 11.759 0.132 1.705 1.00 0.00 C ATOM 335 C LYS A 21 10.354 0.683 1.483 1.00 0.00 C ATOM 336 O LYS A 21 10.133 1.892 1.531 1.00 0.00 O ATOM 337 CB LYS A 21 12.327 -0.401 0.389 1.00 0.00 C ATOM 338 CG LYS A 21 13.810 -0.120 0.208 1.00 0.00 C ATOM 339 CD LYS A 21 14.661 -1.277 0.703 1.00 0.00 C ATOM 340 CE LYS A 21 16.141 -1.017 0.477 1.00 0.00 C ATOM 341 NZ LYS A 21 16.640 -1.681 -0.760 1.00 0.00 N ATOM 0 H LYS A 21 11.616 -1.857 2.342 1.00 0.00 H new ATOM 0 HA LYS A 21 12.382 0.950 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.161 -1.477 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.778 0.044 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.021 0.063 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.078 0.788 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.477 -1.437 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.368 -2.192 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.314 0.057 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.708 -1.377 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.653 -1.479 -0.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.498 -2.708 -0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.117 -1.320 -1.583 1.00 0.00 H new ATOM 355 N ILE A 22 9.416 -0.216 1.218 1.00 0.00 N ATOM 356 CA ILE A 22 8.032 0.172 0.960 1.00 0.00 C ATOM 357 C ILE A 22 7.391 0.851 2.164 1.00 0.00 C ATOM 358 O ILE A 22 6.541 1.727 2.008 1.00 0.00 O ATOM 359 CB ILE A 22 7.162 -1.037 0.567 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.894 -1.938 -0.431 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.840 -0.560 -0.015 1.00 0.00 C ATOM 362 CD1 ILE A 22 7.041 -3.075 -0.950 1.00 0.00 C ATOM 0 H ILE A 22 9.586 -1.221 1.176 1.00 0.00 H new ATOM 0 HA ILE A 22 8.076 0.877 0.130 1.00 0.00 H new ATOM 0 HB ILE A 22 6.962 -1.624 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.234 -1.335 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.784 -2.349 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.232 -1.422 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.310 0.037 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.030 0.047 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.621 -3.674 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.722 -3.701 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.164 -2.671 -1.456 1.00 0.00 H new ATOM 374 N PHE A 23 7.785 0.439 3.363 1.00 0.00 N ATOM 375 CA PHE A 23 7.219 1.014 4.577 1.00 0.00 C ATOM 376 C PHE A 23 8.013 2.224 5.045 1.00 0.00 C ATOM 377 O PHE A 23 7.443 3.170 5.588 1.00 0.00 O ATOM 378 CB PHE A 23 7.146 -0.031 5.691 1.00 0.00 C ATOM 379 CG PHE A 23 6.224 0.324 6.826 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.322 1.375 6.730 1.00 0.00 C ATOM 381 CD2 PHE A 23 6.266 -0.407 8.000 1.00 0.00 C ATOM 382 CE1 PHE A 23 4.485 1.686 7.783 1.00 0.00 C ATOM 383 CE2 PHE A 23 5.431 -0.103 9.057 1.00 0.00 C ATOM 384 CZ PHE A 23 4.539 0.946 8.949 1.00 0.00 C ATOM 0 H PHE A 23 8.487 -0.284 3.520 1.00 0.00 H new ATOM 0 HA PHE A 23 6.208 1.345 4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.823 -0.979 5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.148 -0.188 6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.275 1.956 5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.962 -1.228 8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.789 2.507 7.696 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.475 -0.684 9.966 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.885 1.187 9.774 1.00 0.00 H new ATOM 394 N GLU A 24 9.326 2.206 4.836 1.00 0.00 N ATOM 395 CA GLU A 24 10.156 3.330 5.250 1.00 0.00 C ATOM 396 C GLU A 24 9.910 4.526 4.345 1.00 0.00 C ATOM 397 O GLU A 24 9.864 5.665 4.805 1.00 0.00 O ATOM 398 CB GLU A 24 11.637 2.954 5.234 1.00 0.00 C ATOM 399 CG GLU A 24 12.553 4.073 5.699 1.00 0.00 C ATOM 400 CD GLU A 24 13.784 3.557 6.417 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.740 2.420 6.930 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.794 4.292 6.466 1.00 0.00 O ATOM 0 H GLU A 24 9.830 1.440 4.390 1.00 0.00 H new ATOM 0 HA GLU A 24 9.883 3.595 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.789 2.083 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.918 2.662 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.861 4.667 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.001 4.737 6.364 1.00 0.00 H new ATOM 409 N LYS A 25 9.737 4.255 3.058 1.00 0.00 N ATOM 410 CA LYS A 25 9.476 5.309 2.088 1.00 0.00 C ATOM 411 C LYS A 25 8.035 5.782 2.207 1.00 0.00 C ATOM 412 O LYS A 25 7.739 6.964 2.028 1.00 0.00 O ATOM 413 CB LYS A 25 9.752 4.807 0.669 1.00 0.00 C ATOM 414 CG LYS A 25 10.260 5.886 -0.271 1.00 0.00 C ATOM 415 CD LYS A 25 11.669 6.329 0.096 1.00 0.00 C ATOM 416 CE LYS A 25 12.697 5.796 -0.889 1.00 0.00 C ATOM 417 NZ LYS A 25 14.050 5.689 -0.276 1.00 0.00 N ATOM 0 H LYS A 25 9.773 3.316 2.662 1.00 0.00 H new ATOM 0 HA LYS A 25 10.141 6.148 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.485 4.002 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.836 4.382 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.250 5.512 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.588 6.744 -0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.715 7.418 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.911 5.980 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.382 4.816 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.743 6.453 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.722 5.322 -0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.362 6.628 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.012 5.042 0.537 1.00 0.00 H new ATOM 431 N HIS A 26 7.145 4.850 2.528 1.00 0.00 N ATOM 432 CA HIS A 26 5.735 5.167 2.692 1.00 0.00 C ATOM 433 C HIS A 26 5.508 5.855 4.030 1.00 0.00 C ATOM 434 O HIS A 26 4.773 6.839 4.121 1.00 0.00 O ATOM 435 CB HIS A 26 4.886 3.897 2.599 1.00 0.00 C ATOM 436 CG HIS A 26 3.425 4.129 2.836 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.676 3.374 3.715 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.575 5.041 2.306 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.428 3.810 3.713 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.341 4.820 2.868 1.00 0.00 N ATOM 0 H HIS A 26 7.377 3.868 2.680 1.00 0.00 H new ATOM 0 HA HIS A 26 5.434 5.843 1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.019 3.454 1.612 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.252 3.172 3.326 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.821 5.800 1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.617 3.408 4.303 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.494 5.351 2.665 1.00 0.00 H new ATOM 449 N ASN A 27 6.150 5.330 5.068 1.00 0.00 N ATOM 450 CA ASN A 27 6.021 5.896 6.406 1.00 0.00 C ATOM 451 C ASN A 27 6.700 7.261 6.493 1.00 0.00 C ATOM 452 O ASN A 27 6.282 8.119 7.270 1.00 0.00 O ATOM 453 CB ASN A 27 6.618 4.947 7.448 1.00 0.00 C ATOM 454 CG ASN A 27 6.341 5.400 8.868 1.00 0.00 C ATOM 455 OD1 ASN A 27 7.220 5.933 9.545 1.00 0.00 O ATOM 456 ND2 ASN A 27 5.113 5.190 9.327 1.00 0.00 N ATOM 0 H ASN A 27 6.763 4.517 5.009 1.00 0.00 H new ATOM 0 HA ASN A 27 4.959 6.027 6.613 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.209 3.947 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.695 4.876 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.868 5.474 10.275 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.415 4.745 8.731 1.00 0.00 H new ATOM 463 N GLN A 28 7.742 7.463 5.690 1.00 0.00 N ATOM 464 CA GLN A 28 8.455 8.733 5.686 1.00 0.00 C ATOM 465 C GLN A 28 7.602 9.804 5.029 1.00 0.00 C ATOM 466 O GLN A 28 7.607 10.963 5.444 1.00 0.00 O ATOM 467 CB GLN A 28 9.794 8.606 4.957 1.00 0.00 C ATOM 468 CG GLN A 28 10.981 8.451 5.893 1.00 0.00 C ATOM 469 CD GLN A 28 11.491 9.780 6.414 1.00 0.00 C ATOM 470 OE1 GLN A 28 12.483 10.314 5.917 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.815 10.323 7.421 1.00 0.00 N ATOM 0 H GLN A 28 8.108 6.768 5.039 1.00 0.00 H new ATOM 0 HA GLN A 28 8.656 9.018 6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.754 7.746 4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.945 9.488 4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.695 7.821 6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.787 7.937 5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.998 9.846 7.803 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.113 11.217 7.812 1.00 0.00 H new ATOM 480 N LEU A 29 6.852 9.400 4.010 1.00 0.00 N ATOM 481 CA LEU A 29 5.975 10.319 3.306 1.00 0.00 C ATOM 482 C LEU A 29 4.918 10.845 4.261 1.00 0.00 C ATOM 483 O LEU A 29 4.762 12.053 4.429 1.00 0.00 O ATOM 484 CB LEU A 29 5.319 9.627 2.111 1.00 0.00 C ATOM 485 CG LEU A 29 5.350 10.430 0.810 1.00 0.00 C ATOM 486 CD1 LEU A 29 5.761 9.544 -0.357 1.00 0.00 C ATOM 487 CD2 LEU A 29 3.995 11.069 0.548 1.00 0.00 C ATOM 0 H LEU A 29 6.836 8.444 3.656 1.00 0.00 H new ATOM 0 HA LEU A 29 6.565 11.155 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.816 8.672 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.281 9.407 2.361 1.00 0.00 H new ATOM 0 HG LEU A 29 6.090 11.223 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.777 10.134 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.754 9.135 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.047 8.728 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.034 11.637 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.236 10.291 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.743 11.738 1.371 1.00 0.00 H new ATOM 499 N ASP A 30 4.213 9.924 4.908 1.00 0.00 N ATOM 500 CA ASP A 30 3.191 10.297 5.873 1.00 0.00 C ATOM 501 C ASP A 30 3.824 11.092 7.011 1.00 0.00 C ATOM 502 O ASP A 30 3.152 11.862 7.697 1.00 0.00 O ATOM 503 CB ASP A 30 2.487 9.053 6.417 1.00 0.00 C ATOM 504 CG ASP A 30 1.324 9.396 7.328 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.573 9.799 8.483 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.164 9.262 6.884 1.00 0.00 O ATOM 0 H ASP A 30 4.331 8.919 4.781 1.00 0.00 H new ATOM 0 HA ASP A 30 2.446 10.919 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.126 8.450 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.206 8.443 6.964 1.00 0.00 H new ATOM 511 N ASP A 31 5.132 10.919 7.191 1.00 0.00 N ATOM 512 CA ASP A 31 5.856 11.648 8.221 1.00 0.00 C ATOM 513 C ASP A 31 6.189 13.046 7.716 1.00 0.00 C ATOM 514 O ASP A 31 6.361 13.981 8.499 1.00 0.00 O ATOM 515 CB ASP A 31 7.134 10.904 8.612 1.00 0.00 C ATOM 516 CG ASP A 31 7.698 11.380 9.936 1.00 0.00 C ATOM 517 OD1 ASP A 31 8.214 12.516 9.988 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.625 10.616 10.921 1.00 0.00 O ATOM 0 H ASP A 31 5.707 10.283 6.638 1.00 0.00 H new ATOM 0 HA ASP A 31 5.227 11.727 9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.925 9.836 8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.883 11.039 7.832 1.00 0.00 H new ATOM 523 N ASP A 32 6.256 13.180 6.393 1.00 0.00 N ATOM 524 CA ASP A 32 6.540 14.457 5.759 1.00 0.00 C ATOM 525 C ASP A 32 5.239 15.213 5.506 1.00 0.00 C ATOM 526 O ASP A 32 5.225 16.442 5.432 1.00 0.00 O ATOM 527 CB ASP A 32 7.291 14.246 4.442 1.00 0.00 C ATOM 528 CG ASP A 32 8.778 14.040 4.651 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.335 14.644 5.591 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.386 13.274 3.873 1.00 0.00 O ATOM 0 H ASP A 32 6.116 12.411 5.738 1.00 0.00 H new ATOM 0 HA ASP A 32 7.170 15.046 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.876 13.381 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.134 15.109 3.795 1.00 0.00 H new ATOM 535 N ILE A 33 4.143 14.465 5.380 1.00 0.00 N ATOM 536 CA ILE A 33 2.841 15.051 5.148 1.00 0.00 C ATOM 537 C ILE A 33 2.277 15.619 6.445 1.00 0.00 C ATOM 538 O ILE A 33 1.597 16.644 6.442 1.00 0.00 O ATOM 539 CB ILE A 33 1.856 14.015 4.551 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.271 13.111 5.641 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.539 13.184 3.475 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.307 12.071 5.111 1.00 0.00 C ATOM 0 H ILE A 33 4.141 13.447 5.437 1.00 0.00 H new ATOM 0 HA ILE A 33 2.963 15.859 4.427 1.00 0.00 H new ATOM 0 HB ILE A 33 1.032 14.563 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.086 12.608 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.757 13.729 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.831 12.462 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.889 13.839 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.388 12.655 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.068 11.467 5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.528 12.567 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.822 11.428 4.397 1.00 0.00 H new ATOM 554 N LYS A 34 2.577 14.950 7.557 1.00 0.00 N ATOM 555 CA LYS A 34 2.107 15.404 8.857 1.00 0.00 C ATOM 556 C LYS A 34 2.974 16.548 9.358 1.00 0.00 C ATOM 557 O LYS A 34 2.474 17.507 9.946 1.00 0.00 O ATOM 558 CB LYS A 34 2.105 14.257 9.867 1.00 0.00 C ATOM 559 CG LYS A 34 3.490 13.733 10.210 1.00 0.00 C ATOM 560 CD LYS A 34 3.469 12.890 11.475 1.00 0.00 C ATOM 561 CE LYS A 34 3.172 11.431 11.169 1.00 0.00 C ATOM 562 NZ LYS A 34 3.423 10.555 12.347 1.00 0.00 N ATOM 0 H LYS A 34 3.139 14.099 7.581 1.00 0.00 H new ATOM 0 HA LYS A 34 1.083 15.760 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.618 14.593 10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.506 13.438 9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.870 13.137 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.175 14.571 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.431 12.968 11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.716 13.279 12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.133 11.330 10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.790 11.102 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.209 9.568 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.421 10.632 12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.815 10.852 13.137 1.00 0.00 H new ATOM 576 N THR A 35 4.276 16.453 9.106 1.00 0.00 N ATOM 577 CA THR A 35 5.197 17.502 9.519 1.00 0.00 C ATOM 578 C THR A 35 4.931 18.766 8.710 1.00 0.00 C ATOM 579 O THR A 35 5.178 19.879 9.172 1.00 0.00 O ATOM 580 CB THR A 35 6.651 17.049 9.351 1.00 0.00 C ATOM 581 OG1 THR A 35 7.529 17.916 10.048 1.00 0.00 O ATOM 582 CG2 THR A 35 7.109 17.001 7.910 1.00 0.00 C ATOM 0 H THR A 35 4.712 15.668 8.623 1.00 0.00 H new ATOM 0 HA THR A 35 5.035 17.716 10.575 1.00 0.00 H new ATOM 0 HB THR A 35 6.682 16.038 9.756 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.453 17.610 9.930 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.147 16.672 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.485 16.302 7.353 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.025 17.994 7.468 1.00 0.00 H new ATOM 590 N ALA A 36 4.405 18.579 7.500 1.00 0.00 N ATOM 591 CA ALA A 36 4.080 19.695 6.625 1.00 0.00 C ATOM 592 C ALA A 36 2.649 20.164 6.863 1.00 0.00 C ATOM 593 O ALA A 36 2.315 21.321 6.613 1.00 0.00 O ATOM 594 CB ALA A 36 4.276 19.301 5.169 1.00 0.00 C ATOM 0 H ALA A 36 4.196 17.661 7.106 1.00 0.00 H new ATOM 0 HA ALA A 36 4.754 20.521 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.029 20.146 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.315 19.013 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.625 18.460 4.929 1.00 0.00 H new ATOM 600 N GLU A 37 1.805 19.256 7.354 1.00 0.00 N ATOM 601 CA GLU A 37 0.410 19.583 7.631 1.00 0.00 C ATOM 602 C GLU A 37 0.282 20.332 8.954 1.00 0.00 C ATOM 603 O GLU A 37 -0.701 21.035 9.188 1.00 0.00 O ATOM 604 CB GLU A 37 -0.438 18.310 7.669 1.00 0.00 C ATOM 605 CG GLU A 37 -1.092 17.974 6.339 1.00 0.00 C ATOM 606 CD GLU A 37 -2.344 17.134 6.501 1.00 0.00 C ATOM 607 OE1 GLU A 37 -2.214 15.905 6.683 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.453 17.705 6.448 1.00 0.00 O ATOM 0 H GLU A 37 2.064 18.293 7.567 1.00 0.00 H new ATOM 0 HA GLU A 37 0.048 20.228 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.190 17.474 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.213 18.422 8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.344 18.898 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.378 17.439 5.712 1.00 0.00 H new ATOM 615 N GLN A 38 1.281 20.175 9.818 1.00 0.00 N ATOM 616 CA GLN A 38 1.281 20.833 11.119 1.00 0.00 C ATOM 617 C GLN A 38 1.128 22.344 10.970 1.00 0.00 C ATOM 618 O GLN A 38 0.375 22.975 11.712 1.00 0.00 O ATOM 619 CB GLN A 38 2.571 20.507 11.876 1.00 0.00 C ATOM 620 CG GLN A 38 2.351 19.650 13.111 1.00 0.00 C ATOM 621 CD GLN A 38 2.047 18.205 12.770 1.00 0.00 C ATOM 622 OE1 GLN A 38 0.923 17.865 12.402 1.00 0.00 O ATOM 623 NE2 GLN A 38 3.052 17.344 12.893 1.00 0.00 N ATOM 0 H GLN A 38 2.102 19.597 9.639 1.00 0.00 H new ATOM 0 HA GLN A 38 0.429 20.459 11.687 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.257 19.991 11.204 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.054 21.438 12.171 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.240 19.692 13.741 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.528 20.063 13.694 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.968 17.670 13.202 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.907 16.357 12.679 1.00 0.00 H new ATOM 632 N GLN A 39 1.844 22.921 10.009 1.00 0.00 N ATOM 633 CA GLN A 39 1.781 24.359 9.775 1.00 0.00 C ATOM 634 C GLN A 39 1.300 24.669 8.361 1.00 0.00 C ATOM 635 O GLN A 39 0.751 25.741 8.106 1.00 0.00 O ATOM 636 CB GLN A 39 3.154 24.996 10.011 1.00 0.00 C ATOM 637 CG GLN A 39 4.161 24.708 8.908 1.00 0.00 C ATOM 638 CD GLN A 39 4.993 23.471 9.187 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.695 23.395 10.194 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.917 22.493 8.291 1.00 0.00 N ATOM 0 H GLN A 39 2.472 22.417 9.383 1.00 0.00 H new ATOM 0 HA GLN A 39 1.064 24.781 10.479 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.032 26.075 10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.554 24.635 10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.633 24.581 7.963 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.822 25.567 8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.321 22.599 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.454 21.636 8.424 1.00 0.00 H new ATOM 649 N ASN A 40 1.523 23.731 7.442 1.00 0.00 N ATOM 650 CA ASN A 40 1.123 23.918 6.055 1.00 0.00 C ATOM 651 C ASN A 40 1.903 25.067 5.433 1.00 0.00 C ATOM 652 O ASN A 40 1.325 25.980 4.842 1.00 0.00 O ATOM 653 CB ASN A 40 -0.376 24.193 5.966 1.00 0.00 C ATOM 654 CG ASN A 40 -1.192 22.922 5.833 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.266 22.151 6.912 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -1.749 22.635 4.774 1.00 0.00 N flip ATOM 0 H ASN A 40 1.977 22.838 7.635 1.00 0.00 H new ATOM 0 HA ASN A 40 1.343 23.004 5.504 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.696 24.735 6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.574 24.839 5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.666 23.256 3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.294 21.776 4.701 1.00 0.00 H new ATOM 663 N ALA A 41 3.226 25.014 5.576 1.00 0.00 N ATOM 664 CA ALA A 41 4.105 26.049 5.033 1.00 0.00 C ATOM 665 C ALA A 41 3.676 26.465 3.628 1.00 0.00 C ATOM 666 O ALA A 41 3.865 27.613 3.224 1.00 0.00 O ATOM 667 CB ALA A 41 5.546 25.563 5.021 1.00 0.00 C ATOM 0 H ALA A 41 3.714 24.263 6.065 1.00 0.00 H new ATOM 0 HA ALA A 41 4.029 26.924 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.190 26.343 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.859 25.328 6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.623 24.669 4.402 1.00 0.00 H new ATOM 673 N SER A 42 3.091 25.525 2.893 1.00 0.00 N ATOM 674 CA SER A 42 2.628 25.793 1.538 1.00 0.00 C ATOM 675 C SER A 42 1.553 24.792 1.126 1.00 0.00 C ATOM 676 O SER A 42 1.824 23.600 0.980 1.00 0.00 O ATOM 677 CB SER A 42 3.799 25.738 0.556 1.00 0.00 C ATOM 678 OG SER A 42 4.337 27.029 0.330 1.00 0.00 O ATOM 0 H SER A 42 2.927 24.571 3.214 1.00 0.00 H new ATOM 0 HA SER A 42 2.195 26.793 1.518 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.575 25.081 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.465 25.309 -0.389 1.00 0.00 H new ATOM 0 HG SER A 42 4.341 27.533 1.170 1.00 0.00 H new ATOM 684 N ASP A 43 0.332 25.286 0.936 1.00 0.00 N ATOM 685 CA ASP A 43 -0.790 24.441 0.536 1.00 0.00 C ATOM 686 C ASP A 43 -0.397 23.541 -0.625 1.00 0.00 C ATOM 687 O ASP A 43 -0.562 22.323 -0.568 1.00 0.00 O ATOM 688 CB ASP A 43 -1.992 25.303 0.145 1.00 0.00 C ATOM 689 CG ASP A 43 -3.310 24.680 0.563 1.00 0.00 C ATOM 690 OD1 ASP A 43 -3.682 24.818 1.747 1.00 0.00 O ATOM 691 OD2 ASP A 43 -3.969 24.056 -0.295 1.00 0.00 O ATOM 0 H ASP A 43 0.094 26.271 1.053 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.065 23.814 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.896 26.286 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.991 25.455 -0.934 1.00 0.00 H new ATOM 696 N ALA A 44 0.143 24.151 -1.672 1.00 0.00 N ATOM 697 CA ALA A 44 0.582 23.407 -2.843 1.00 0.00 C ATOM 698 C ALA A 44 1.639 22.381 -2.450 1.00 0.00 C ATOM 699 O ALA A 44 1.789 21.346 -3.098 1.00 0.00 O ATOM 700 CB ALA A 44 1.125 24.355 -3.902 1.00 0.00 C ATOM 0 H ALA A 44 0.287 25.159 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.274 22.879 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.449 23.782 -4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.344 25.055 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.972 24.908 -3.496 1.00 0.00 H new ATOM 706 N GLU A 45 2.363 22.678 -1.374 1.00 0.00 N ATOM 707 CA GLU A 45 3.402 21.788 -0.876 1.00 0.00 C ATOM 708 C GLU A 45 2.790 20.636 -0.095 1.00 0.00 C ATOM 709 O GLU A 45 3.195 19.482 -0.247 1.00 0.00 O ATOM 710 CB GLU A 45 4.376 22.556 0.020 1.00 0.00 C ATOM 711 CG GLU A 45 5.734 21.888 0.158 1.00 0.00 C ATOM 712 CD GLU A 45 6.564 22.480 1.279 1.00 0.00 C ATOM 713 OE1 GLU A 45 7.163 23.557 1.069 1.00 0.00 O ATOM 714 OE2 GLU A 45 6.616 21.868 2.367 1.00 0.00 O ATOM 0 H GLU A 45 2.247 23.533 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 45 3.944 21.386 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.514 23.559 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.934 22.669 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.594 20.822 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.279 21.983 -0.781 1.00 0.00 H new ATOM 721 N VAL A 46 1.812 20.956 0.742 1.00 0.00 N ATOM 722 CA VAL A 46 1.143 19.945 1.550 1.00 0.00 C ATOM 723 C VAL A 46 0.172 19.121 0.710 1.00 0.00 C ATOM 724 O VAL A 46 -0.185 18.002 1.080 1.00 0.00 O ATOM 725 CB VAL A 46 0.380 20.574 2.731 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.061 19.497 3.712 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.236 21.624 3.428 1.00 0.00 C ATOM 0 H VAL A 46 1.465 21.905 0.879 1.00 0.00 H new ATOM 0 HA VAL A 46 1.923 19.293 1.943 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.510 21.069 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.599 19.958 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.715 18.788 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.815 18.973 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.678 22.055 4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.147 21.159 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.497 22.410 2.719 1.00 0.00 H new ATOM 737 N SER A 47 -0.251 19.675 -0.423 1.00 0.00 N ATOM 738 CA SER A 47 -1.178 18.981 -1.308 1.00 0.00 C ATOM 739 C SER A 47 -0.435 18.086 -2.289 1.00 0.00 C ATOM 740 O SER A 47 -0.999 17.131 -2.822 1.00 0.00 O ATOM 741 CB SER A 47 -2.046 19.987 -2.068 1.00 0.00 C ATOM 742 OG SER A 47 -2.900 19.331 -2.989 1.00 0.00 O ATOM 0 H SER A 47 0.033 20.599 -0.748 1.00 0.00 H new ATOM 0 HA SER A 47 -1.821 18.352 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.643 20.564 -1.361 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.408 20.694 -2.599 1.00 0.00 H new ATOM 0 HG SER A 47 -3.445 19.995 -3.460 1.00 0.00 H new ATOM 748 N HIS A 48 0.833 18.395 -2.519 1.00 0.00 N ATOM 749 CA HIS A 48 1.650 17.612 -3.430 1.00 0.00 C ATOM 750 C HIS A 48 2.220 16.389 -2.723 1.00 0.00 C ATOM 751 O HIS A 48 2.466 15.357 -3.348 1.00 0.00 O ATOM 752 CB HIS A 48 2.776 18.475 -3.979 1.00 0.00 C ATOM 753 CG HIS A 48 3.267 18.042 -5.326 1.00 0.00 C ATOM 754 ND1 HIS A 48 2.970 16.811 -5.874 1.00 0.00 N ATOM 755 CD2 HIS A 48 4.035 18.683 -6.238 1.00 0.00 C ATOM 756 CE1 HIS A 48 3.536 16.714 -7.065 1.00 0.00 C ATOM 757 NE2 HIS A 48 4.187 17.837 -7.309 1.00 0.00 N ATOM 0 H HIS A 48 1.317 19.182 -2.087 1.00 0.00 H new ATOM 0 HA HIS A 48 1.026 17.269 -4.255 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.432 19.507 -4.042 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.609 18.459 -3.276 1.00 0.00 H new ATOM 0 HD1 HIS A 48 2.403 16.089 -5.430 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.451 19.675 -6.141 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.476 15.862 -7.726 1.00 0.00 H new ATOM 766 N MET A 49 2.424 16.511 -1.415 1.00 0.00 N ATOM 767 CA MET A 49 2.960 15.411 -0.625 1.00 0.00 C ATOM 768 C MET A 49 1.919 14.316 -0.450 1.00 0.00 C ATOM 769 O MET A 49 2.250 13.131 -0.432 1.00 0.00 O ATOM 770 CB MET A 49 3.428 15.914 0.743 1.00 0.00 C ATOM 771 CG MET A 49 4.537 16.952 0.664 1.00 0.00 C ATOM 772 SD MET A 49 5.978 16.511 1.656 1.00 0.00 S ATOM 773 CE MET A 49 7.069 17.884 1.295 1.00 0.00 C ATOM 0 H MET A 49 2.227 17.358 -0.882 1.00 0.00 H new ATOM 0 HA MET A 49 3.814 14.995 -1.159 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.578 16.343 1.273 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.777 15.066 1.333 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.841 17.074 -0.376 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.152 17.915 0.999 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.006 17.756 1.837 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.270 17.917 0.224 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.596 18.816 1.604 1.00 0.00 H new ATOM 783 N LYS A 50 0.657 14.714 -0.331 1.00 0.00 N ATOM 784 CA LYS A 50 -0.419 13.749 -0.168 1.00 0.00 C ATOM 785 C LYS A 50 -0.607 12.945 -1.443 1.00 0.00 C ATOM 786 O LYS A 50 -0.887 11.747 -1.394 1.00 0.00 O ATOM 787 CB LYS A 50 -1.726 14.440 0.194 1.00 0.00 C ATOM 788 CG LYS A 50 -1.703 15.129 1.548 1.00 0.00 C ATOM 789 CD LYS A 50 -3.086 15.613 1.951 1.00 0.00 C ATOM 790 CE LYS A 50 -3.270 17.090 1.647 1.00 0.00 C ATOM 791 NZ LYS A 50 -3.128 17.931 2.867 1.00 0.00 N ATOM 0 H LYS A 50 0.358 15.689 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.142 13.078 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.961 15.177 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.530 13.704 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.324 14.439 2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.016 15.974 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.843 15.035 1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.238 15.438 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.536 17.402 0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.255 17.250 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.822 18.887 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.043 17.986 3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.420 17.508 3.500 1.00 0.00 H new ATOM 805 N LYS A 51 -0.438 13.600 -2.587 1.00 0.00 N ATOM 806 CA LYS A 51 -0.575 12.921 -3.868 1.00 0.00 C ATOM 807 C LYS A 51 0.356 11.718 -3.910 1.00 0.00 C ATOM 808 O LYS A 51 0.051 10.701 -4.535 1.00 0.00 O ATOM 809 CB LYS A 51 -0.263 13.875 -5.022 1.00 0.00 C ATOM 810 CG LYS A 51 -1.124 13.640 -6.254 1.00 0.00 C ATOM 811 CD LYS A 51 -1.542 14.949 -6.903 1.00 0.00 C ATOM 812 CE LYS A 51 -2.715 15.583 -6.172 1.00 0.00 C ATOM 813 NZ LYS A 51 -3.228 16.785 -6.885 1.00 0.00 N ATOM 0 H LYS A 51 -0.208 14.592 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.605 12.582 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.402 14.901 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.787 13.769 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.572 13.036 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.011 13.072 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.699 15.640 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.814 14.770 -7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.517 14.852 -6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.407 15.862 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.027 17.188 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.470 17.493 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.546 16.514 -7.838 1.00 0.00 H new ATOM 827 N GLN A 52 1.482 11.835 -3.213 1.00 0.00 N ATOM 828 CA GLN A 52 2.448 10.752 -3.141 1.00 0.00 C ATOM 829 C GLN A 52 2.053 9.767 -2.043 1.00 0.00 C ATOM 830 O GLN A 52 2.535 8.635 -2.012 1.00 0.00 O ATOM 831 CB GLN A 52 3.849 11.305 -2.876 1.00 0.00 C ATOM 832 CG GLN A 52 4.540 11.837 -4.121 1.00 0.00 C ATOM 833 CD GLN A 52 6.012 11.478 -4.171 1.00 0.00 C ATOM 834 OE1 GLN A 52 6.418 10.569 -4.894 1.00 0.00 O ATOM 835 NE2 GLN A 52 6.821 12.194 -3.397 1.00 0.00 N ATOM 0 H GLN A 52 1.745 12.671 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 52 2.456 10.228 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.781 12.105 -2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.464 10.519 -2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.043 11.439 -5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.433 12.921 -4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.441 12.939 -2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.822 11.999 -3.387 1.00 0.00 H new ATOM 844 N LYS A 53 1.163 10.201 -1.147 1.00 0.00 N ATOM 845 CA LYS A 53 0.696 9.354 -0.058 1.00 0.00 C ATOM 846 C LYS A 53 -0.093 8.177 -0.605 1.00 0.00 C ATOM 847 O LYS A 53 0.273 7.018 -0.408 1.00 0.00 O ATOM 848 CB LYS A 53 -0.190 10.161 0.884 1.00 0.00 C ATOM 849 CG LYS A 53 -0.302 9.564 2.278 1.00 0.00 C ATOM 850 CD LYS A 53 -1.740 9.560 2.771 1.00 0.00 C ATOM 851 CE LYS A 53 -2.144 10.915 3.333 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.572 10.820 4.756 1.00 0.00 N ATOM 0 H LYS A 53 0.754 11.135 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 53 1.563 8.980 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.206 11.174 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.187 10.241 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.083 8.544 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.319 10.134 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.406 9.293 1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.859 8.797 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.305 11.607 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.957 11.328 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.742 11.775 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.448 10.263 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.826 10.356 5.313 1.00 0.00 H new ATOM 866 N LEU A 54 -1.174 8.491 -1.306 1.00 0.00 N ATOM 867 CA LEU A 54 -2.023 7.473 -1.905 1.00 0.00 C ATOM 868 C LEU A 54 -1.219 6.648 -2.898 1.00 0.00 C ATOM 869 O LEU A 54 -1.562 5.504 -3.198 1.00 0.00 O ATOM 870 CB LEU A 54 -3.221 8.119 -2.604 1.00 0.00 C ATOM 871 CG LEU A 54 -4.233 7.135 -3.197 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.471 7.047 -2.317 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.610 7.545 -4.612 1.00 0.00 C ATOM 0 H LEU A 54 -1.484 9.448 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.395 6.818 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.737 8.760 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.853 8.763 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.771 6.149 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.179 6.343 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.187 6.705 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.936 8.030 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.330 6.834 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.053 8.541 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.718 7.554 -5.238 1.00 0.00 H new ATOM 885 N LYS A 55 -0.134 7.235 -3.394 1.00 0.00 N ATOM 886 CA LYS A 55 0.733 6.548 -4.339 1.00 0.00 C ATOM 887 C LYS A 55 1.653 5.606 -3.590 1.00 0.00 C ATOM 888 O LYS A 55 1.751 4.423 -3.917 1.00 0.00 O ATOM 889 CB LYS A 55 1.543 7.548 -5.165 1.00 0.00 C ATOM 890 CG LYS A 55 2.365 6.900 -6.266 1.00 0.00 C ATOM 891 CD LYS A 55 1.482 6.382 -7.391 1.00 0.00 C ATOM 892 CE LYS A 55 1.482 7.327 -8.581 1.00 0.00 C ATOM 893 NZ LYS A 55 0.769 8.599 -8.281 1.00 0.00 N ATOM 0 H LYS A 55 0.163 8.182 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 55 0.115 5.972 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.863 8.275 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.209 8.099 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.076 7.624 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.947 6.077 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.832 5.399 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.463 6.256 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.510 7.547 -8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.009 6.838 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.703 9.172 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.188 8.387 -7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.293 9.128 -7.555 1.00 0.00 H new ATOM 907 N LEU A 56 2.291 6.126 -2.552 1.00 0.00 N ATOM 908 CA LEU A 56 3.160 5.312 -1.727 1.00 0.00 C ATOM 909 C LEU A 56 2.311 4.371 -0.882 1.00 0.00 C ATOM 910 O LEU A 56 2.829 3.459 -0.240 1.00 0.00 O ATOM 911 CB LEU A 56 4.041 6.189 -0.834 1.00 0.00 C ATOM 912 CG LEU A 56 5.437 6.480 -1.388 1.00 0.00 C ATOM 913 CD1 LEU A 56 6.207 5.186 -1.601 1.00 0.00 C ATOM 914 CD2 LEU A 56 5.340 7.265 -2.688 1.00 0.00 C ATOM 0 H LEU A 56 2.222 7.102 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 56 3.818 4.727 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.530 7.136 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.146 5.704 0.136 1.00 0.00 H new ATOM 0 HG LEU A 56 5.978 7.085 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.198 5.413 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.306 4.661 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.670 4.555 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.342 7.464 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.781 6.685 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.827 8.209 -2.505 1.00 0.00 H new ATOM 926 N LYS A 57 0.992 4.584 -0.910 1.00 0.00 N ATOM 927 CA LYS A 57 0.077 3.730 -0.170 1.00 0.00 C ATOM 928 C LYS A 57 -0.307 2.539 -1.033 1.00 0.00 C ATOM 929 O LYS A 57 -0.541 1.443 -0.533 1.00 0.00 O ATOM 930 CB LYS A 57 -1.179 4.501 0.246 1.00 0.00 C ATOM 931 CG LYS A 57 -2.269 3.618 0.843 1.00 0.00 C ATOM 932 CD LYS A 57 -3.646 4.245 0.683 1.00 0.00 C ATOM 933 CE LYS A 57 -4.337 4.427 2.025 1.00 0.00 C ATOM 934 NZ LYS A 57 -5.250 3.293 2.338 1.00 0.00 N ATOM 0 H LYS A 57 0.543 5.335 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 57 0.576 3.384 0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.902 5.264 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.580 5.021 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.254 2.642 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.065 3.451 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.551 5.211 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.260 3.616 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.587 4.516 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.904 5.358 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.701 3.455 3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.982 3.223 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.705 2.408 2.370 1.00 0.00 H new ATOM 948 N ASP A 58 -0.364 2.771 -2.341 1.00 0.00 N ATOM 949 CA ASP A 58 -0.715 1.727 -3.287 1.00 0.00 C ATOM 950 C ASP A 58 0.261 0.564 -3.191 1.00 0.00 C ATOM 951 O ASP A 58 -0.119 -0.586 -3.384 1.00 0.00 O ATOM 952 CB ASP A 58 -0.731 2.281 -4.713 1.00 0.00 C ATOM 953 CG ASP A 58 -1.842 1.683 -5.553 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.287 0.560 -5.236 1.00 0.00 O ATOM 955 OD2 ASP A 58 -2.267 2.338 -6.529 1.00 0.00 O ATOM 0 H ASP A 58 -0.170 3.677 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.713 1.365 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.849 3.364 -4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.229 2.080 -5.189 1.00 0.00 H new ATOM 960 N GLU A 59 1.520 0.866 -2.887 1.00 0.00 N ATOM 961 CA GLU A 59 2.534 -0.176 -2.768 1.00 0.00 C ATOM 962 C GLU A 59 2.300 -1.024 -1.522 1.00 0.00 C ATOM 963 O GLU A 59 2.393 -2.250 -1.571 1.00 0.00 O ATOM 964 CB GLU A 59 3.936 0.431 -2.733 1.00 0.00 C ATOM 965 CG GLU A 59 4.084 1.588 -1.760 1.00 0.00 C ATOM 966 CD GLU A 59 5.518 2.067 -1.636 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.167 2.271 -2.683 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.990 2.235 -0.493 1.00 0.00 O ATOM 0 H GLU A 59 1.860 1.813 -2.720 1.00 0.00 H new ATOM 0 HA GLU A 59 2.454 -0.818 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.651 -0.347 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.197 0.776 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.455 2.416 -2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.721 1.281 -0.779 1.00 0.00 H new ATOM 975 N ILE A 60 1.982 -0.368 -0.411 1.00 0.00 N ATOM 976 CA ILE A 60 1.720 -1.074 0.836 1.00 0.00 C ATOM 977 C ILE A 60 0.340 -1.712 0.779 1.00 0.00 C ATOM 978 O ILE A 60 0.140 -2.829 1.253 1.00 0.00 O ATOM 979 CB ILE A 60 1.812 -0.134 2.059 1.00 0.00 C ATOM 980 CG1 ILE A 60 3.262 0.315 2.277 1.00 0.00 C ATOM 981 CG2 ILE A 60 1.266 -0.813 3.313 1.00 0.00 C ATOM 982 CD1 ILE A 60 4.148 -0.747 2.904 1.00 0.00 C ATOM 0 H ILE A 60 1.900 0.647 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 60 2.483 -1.844 0.953 1.00 0.00 H new ATOM 0 HB ILE A 60 1.200 0.746 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.689 0.610 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.266 1.200 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.342 -0.130 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.221 -1.081 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.844 -1.713 3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.157 -0.353 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.747 -1.026 3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.176 -1.625 2.258 1.00 0.00 H new ATOM 994 N HIS A 61 -0.603 -0.998 0.169 1.00 0.00 N ATOM 995 CA HIS A 61 -1.962 -1.499 0.021 1.00 0.00 C ATOM 996 C HIS A 61 -1.973 -2.635 -0.989 1.00 0.00 C ATOM 997 O HIS A 61 -2.684 -3.626 -0.821 1.00 0.00 O ATOM 998 CB HIS A 61 -2.904 -0.380 -0.429 1.00 0.00 C ATOM 999 CG HIS A 61 -4.303 -0.534 0.084 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.413 -0.112 -0.617 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -4.770 -1.068 1.238 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.502 -0.378 0.084 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.138 -0.959 1.212 1.00 0.00 N ATOM 0 H HIS A 61 -0.449 -0.072 -0.230 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.312 -1.868 0.985 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.505 0.577 -0.092 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.926 -0.351 -1.518 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.177 -1.499 2.031 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.516 -0.158 -0.215 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.771 -1.276 1.946 1.00 0.00 H new ATOM 1012 N SER A 62 -1.160 -2.489 -2.030 1.00 0.00 N ATOM 1013 CA SER A 62 -1.057 -3.516 -3.056 1.00 0.00 C ATOM 1014 C SER A 62 -0.477 -4.786 -2.454 1.00 0.00 C ATOM 1015 O SER A 62 -0.854 -5.895 -2.833 1.00 0.00 O ATOM 1016 CB SER A 62 -0.182 -3.045 -4.219 1.00 0.00 C ATOM 1017 OG SER A 62 0.106 -4.111 -5.107 1.00 0.00 O ATOM 0 H SER A 62 -0.567 -1.674 -2.184 1.00 0.00 H new ATOM 0 HA SER A 62 -2.056 -3.718 -3.442 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.689 -2.245 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.748 -2.629 -3.832 1.00 0.00 H new ATOM 0 HG SER A 62 0.665 -3.783 -5.842 1.00 0.00 H new ATOM 1023 N MET A 63 0.441 -4.618 -1.501 1.00 0.00 N ATOM 1024 CA MET A 63 1.061 -5.761 -0.840 1.00 0.00 C ATOM 1025 C MET A 63 -0.005 -6.685 -0.261 1.00 0.00 C ATOM 1026 O MET A 63 0.090 -7.907 -0.375 1.00 0.00 O ATOM 1027 CB MET A 63 2.007 -5.290 0.267 1.00 0.00 C ATOM 1028 CG MET A 63 3.127 -6.273 0.568 1.00 0.00 C ATOM 1029 SD MET A 63 4.767 -5.541 0.389 1.00 0.00 S ATOM 1030 CE MET A 63 5.507 -6.657 -0.800 1.00 0.00 C ATOM 0 H MET A 63 0.768 -3.709 -1.174 1.00 0.00 H new ATOM 0 HA MET A 63 1.638 -6.314 -1.581 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.442 -4.333 -0.021 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.432 -5.118 1.177 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.011 -6.649 1.585 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.042 -7.130 -0.100 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.500 -6.297 -1.068 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.588 -7.652 -0.363 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.884 -6.702 -1.693 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.028 -6.091 0.347 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.120 -6.862 0.927 1.00 0.00 C ATOM 1042 C ILE A 64 -2.858 -7.634 -0.154 1.00 0.00 C ATOM 1043 O ILE A 64 -3.190 -8.806 0.021 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.116 -5.952 1.673 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.418 -5.256 2.840 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.317 -6.750 2.164 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.399 -3.750 2.712 1.00 0.00 C ATOM 0 H ILE A 64 -1.122 -5.081 0.450 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.683 -7.560 1.641 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.478 -5.193 0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.919 -5.529 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.393 -5.621 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.006 -6.086 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.826 -7.203 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.980 -7.533 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.889 -3.318 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.873 -3.469 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.422 -3.375 2.671 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.103 -6.972 -1.279 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.790 -7.603 -2.395 1.00 0.00 C ATOM 1061 C ILE A 65 -3.048 -8.857 -2.826 1.00 0.00 C ATOM 1062 O ILE A 65 -3.647 -9.916 -3.015 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.908 -6.651 -3.599 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.515 -5.313 -3.168 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.740 -7.289 -4.703 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.845 -5.451 -2.458 1.00 0.00 C ATOM 0 H ILE A 65 -2.836 -6.001 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.793 -7.861 -2.056 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.908 -6.462 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.813 -4.800 -2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.646 -4.683 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.813 -6.602 -5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.264 -8.214 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.739 -7.508 -4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.215 -4.463 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.563 -5.935 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.717 -6.054 -1.559 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.732 -8.735 -2.958 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.903 -9.863 -3.344 1.00 0.00 C ATOM 1080 C GLU A 66 -0.720 -10.807 -2.161 1.00 0.00 C ATOM 1081 O GLU A 66 -0.328 -11.961 -2.331 1.00 0.00 O ATOM 1082 CB GLU A 66 0.458 -9.380 -3.848 1.00 0.00 C ATOM 1083 CG GLU A 66 0.366 -8.230 -4.838 1.00 0.00 C ATOM 1084 CD GLU A 66 0.854 -8.610 -6.223 1.00 0.00 C ATOM 1085 OE1 GLU A 66 1.727 -9.497 -6.322 1.00 0.00 O ATOM 1086 OE2 GLU A 66 0.362 -8.020 -7.208 1.00 0.00 O ATOM 0 H GLU A 66 -1.220 -7.867 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.401 -10.400 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.062 -9.068 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.979 -10.214 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.668 -7.893 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.953 -7.390 -4.468 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.011 -10.311 -0.957 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.880 -11.121 0.247 1.00 0.00 C ATOM 1095 C TYR A 67 -2.137 -11.950 0.484 1.00 0.00 C ATOM 1096 O TYR A 67 -2.064 -13.077 0.975 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.611 -10.233 1.460 1.00 0.00 C ATOM 1098 CG TYR A 67 -0.075 -10.992 2.653 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.871 -11.907 3.331 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.227 -10.798 3.097 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -0.383 -12.606 4.419 1.00 0.00 C ATOM 1102 CE2 TYR A 67 1.721 -11.493 4.183 1.00 0.00 C ATOM 1103 CZ TYR A 67 0.912 -12.397 4.842 1.00 0.00 C ATOM 1104 OH TYR A 67 1.401 -13.091 5.923 1.00 0.00 O ATOM 0 H TYR A 67 -1.337 -9.358 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.038 -11.798 0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.102 -9.457 1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.535 -9.729 1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.886 -12.075 3.003 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.863 -10.092 2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.014 -13.314 4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.736 -11.330 4.515 1.00 0.00 H new ATOM 0 HH TYR A 67 2.330 -12.827 6.088 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.289 -11.386 0.136 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.559 -12.078 0.317 1.00 0.00 C ATOM 1116 C ARG A 68 -4.752 -13.150 -0.749 1.00 0.00 C ATOM 1117 O ARG A 68 -5.402 -14.167 -0.507 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.722 -11.084 0.287 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.920 -10.410 -1.062 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.396 -10.218 -1.375 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.611 -9.184 -2.386 1.00 0.00 N ATOM 1122 CZ ARG A 68 -7.460 -9.383 -3.694 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -7.090 -10.571 -4.154 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -7.679 -8.389 -4.544 1.00 0.00 N ATOM 0 H ARG A 68 -3.369 -10.454 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.541 -12.565 1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.640 -11.605 0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.552 -10.318 1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.417 -9.443 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.456 -11.012 -1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.818 -11.160 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.928 -9.949 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.893 -8.256 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.919 -11.339 -3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.976 -10.717 -5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.963 -7.473 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.564 -8.540 -5.546 1.00 0.00 H new ATOM 1138 N GLU A 69 -4.181 -12.922 -1.927 1.00 0.00 N ATOM 1139 CA GLU A 69 -4.291 -13.879 -3.022 1.00 0.00 C ATOM 1140 C GLU A 69 -3.240 -14.976 -2.891 1.00 0.00 C ATOM 1141 O GLU A 69 -3.365 -16.041 -3.492 1.00 0.00 O ATOM 1142 CB GLU A 69 -4.145 -13.170 -4.370 1.00 0.00 C ATOM 1143 CG GLU A 69 -5.132 -13.652 -5.422 1.00 0.00 C ATOM 1144 CD GLU A 69 -5.175 -12.747 -6.637 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -4.095 -12.411 -7.165 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -6.289 -12.375 -7.060 1.00 0.00 O ATOM 0 H GLU A 69 -3.639 -12.086 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.278 -14.338 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.278 -12.098 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.131 -13.318 -4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.861 -14.661 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.127 -13.711 -4.982 1.00 0.00 H new ATOM 1153 N LYS A 70 -2.214 -14.714 -2.089 1.00 0.00 N ATOM 1154 CA LYS A 70 -1.155 -15.677 -1.860 1.00 0.00 C ATOM 1155 C LYS A 70 -1.508 -16.542 -0.663 1.00 0.00 C ATOM 1156 O LYS A 70 -1.355 -17.757 -0.696 1.00 0.00 O ATOM 1157 CB LYS A 70 0.176 -14.961 -1.622 1.00 0.00 C ATOM 1158 CG LYS A 70 1.311 -15.897 -1.243 1.00 0.00 C ATOM 1159 CD LYS A 70 2.654 -15.365 -1.718 1.00 0.00 C ATOM 1160 CE LYS A 70 3.394 -14.648 -0.601 1.00 0.00 C ATOM 1161 NZ LYS A 70 4.804 -14.346 -0.973 1.00 0.00 N ATOM 0 H LYS A 70 -2.097 -13.835 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.051 -16.309 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.452 -14.416 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.045 -14.223 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.332 -16.026 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.134 -16.881 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.263 -16.190 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.501 -14.681 -2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.876 -13.720 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.380 -15.264 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.274 -13.857 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.306 -15.233 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.818 -13.737 -1.816 1.00 0.00 H new ATOM 1175 N GLN A 71 -1.994 -15.900 0.393 1.00 0.00 N ATOM 1176 CA GLN A 71 -2.385 -16.609 1.602 1.00 0.00 C ATOM 1177 C GLN A 71 -3.701 -17.333 1.392 1.00 0.00 C ATOM 1178 O GLN A 71 -3.974 -18.334 2.046 1.00 0.00 O ATOM 1179 CB GLN A 71 -2.495 -15.640 2.780 1.00 0.00 C ATOM 1180 CG GLN A 71 -2.892 -16.309 4.086 1.00 0.00 C ATOM 1181 CD GLN A 71 -4.108 -15.667 4.731 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -4.824 -14.892 4.098 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -4.343 -15.989 5.997 1.00 0.00 N ATOM 0 H GLN A 71 -2.126 -14.889 0.435 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.616 -17.347 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.538 -15.137 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.228 -14.870 2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.099 -17.363 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.053 -16.266 4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.722 -16.636 6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.145 -15.589 6.485 1.00 0.00 H new ATOM 1192 N LYS A 72 -4.514 -16.841 0.468 1.00 0.00 N ATOM 1193 CA LYS A 72 -5.784 -17.486 0.193 1.00 0.00 C ATOM 1194 C LYS A 72 -5.620 -18.534 -0.893 1.00 0.00 C ATOM 1195 O LYS A 72 -6.366 -19.504 -0.950 1.00 0.00 O ATOM 1196 CB LYS A 72 -6.849 -16.462 -0.201 1.00 0.00 C ATOM 1197 CG LYS A 72 -8.263 -17.017 -0.180 1.00 0.00 C ATOM 1198 CD LYS A 72 -9.142 -16.346 -1.222 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.155 -17.128 -2.526 1.00 0.00 C ATOM 1200 NZ LYS A 72 -9.391 -16.244 -3.701 1.00 0.00 N ATOM 0 H LYS A 72 -4.320 -16.012 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.118 -17.980 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.791 -15.611 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.629 -16.088 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.236 -18.091 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.696 -16.873 0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.159 -16.257 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.782 -15.334 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.204 -17.647 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.932 -17.891 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.393 -16.815 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.310 -15.768 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.636 -15.531 -3.756 1.00 0.00 H new ATOM 1214 N SER A 73 -4.618 -18.352 -1.736 1.00 0.00 N ATOM 1215 CA SER A 73 -4.346 -19.310 -2.787 1.00 0.00 C ATOM 1216 C SER A 73 -3.374 -20.354 -2.261 1.00 0.00 C ATOM 1217 O SER A 73 -3.444 -21.528 -2.624 1.00 0.00 O ATOM 1218 CB SER A 73 -3.763 -18.618 -4.012 1.00 0.00 C ATOM 1219 OG SER A 73 -3.604 -19.526 -5.088 1.00 0.00 O ATOM 0 H SER A 73 -3.984 -17.553 -1.712 1.00 0.00 H new ATOM 0 HA SER A 73 -5.278 -19.790 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.417 -17.801 -4.316 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.799 -18.178 -3.759 1.00 0.00 H new ATOM 0 HG SER A 73 -3.230 -19.055 -5.861 1.00 0.00 H new ATOM 1225 N GLU A 74 -2.469 -19.909 -1.390 1.00 0.00 N ATOM 1226 CA GLU A 74 -1.485 -20.806 -0.798 1.00 0.00 C ATOM 1227 C GLU A 74 -2.045 -21.505 0.439 1.00 0.00 C ATOM 1228 O GLU A 74 -1.857 -22.710 0.606 1.00 0.00 O ATOM 1229 CB GLU A 74 -0.208 -20.048 -0.431 1.00 0.00 C ATOM 1230 CG GLU A 74 0.969 -20.958 -0.117 1.00 0.00 C ATOM 1231 CD GLU A 74 1.521 -20.739 1.277 1.00 0.00 C ATOM 1232 OE1 GLU A 74 0.716 -20.517 2.206 1.00 0.00 O ATOM 1233 OE2 GLU A 74 2.758 -20.790 1.442 1.00 0.00 O ATOM 0 H GLU A 74 -2.399 -18.939 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.245 -21.563 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.063 -19.388 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.407 -19.414 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.657 -21.997 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.760 -20.788 -0.848 1.00 0.00 H new ATOM 1240 N ARG A 75 -2.741 -20.761 1.305 1.00 0.00 N ATOM 1241 CA ARG A 75 -3.314 -21.366 2.503 1.00 0.00 C ATOM 1242 C ARG A 75 -4.729 -21.846 2.231 1.00 0.00 C ATOM 1243 O ARG A 75 -5.186 -22.829 2.813 1.00 0.00 O ATOM 1244 CB ARG A 75 -3.302 -20.392 3.684 1.00 0.00 C ATOM 1245 CG ARG A 75 -1.977 -19.670 3.868 1.00 0.00 C ATOM 1246 CD ARG A 75 -1.773 -19.242 5.314 1.00 0.00 C ATOM 1247 NE ARG A 75 -0.404 -19.471 5.769 1.00 0.00 N ATOM 1248 CZ ARG A 75 0.084 -18.996 6.912 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -0.679 -18.263 7.715 1.00 0.00 N ATOM 1250 NH2 ARG A 75 1.340 -19.252 7.254 1.00 0.00 N ATOM 0 H ARG A 75 -2.917 -19.762 1.200 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.695 -22.223 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.091 -19.654 3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.537 -20.939 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.160 -20.323 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.945 -18.794 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.016 -18.184 5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.464 -19.791 5.954 1.00 0.00 H new ATOM 0 HE ARG A 75 0.213 -20.027 5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.645 -18.061 7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.299 -17.902 8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.931 -19.813 6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.714 -18.888 8.130 1.00 0.00 H new ATOM 1264 N ALA A 76 -5.423 -21.144 1.339 1.00 0.00 N ATOM 1265 CA ALA A 76 -6.795 -21.513 0.997 1.00 0.00 C ATOM 1266 C ALA A 76 -6.883 -22.054 -0.427 1.00 0.00 C ATOM 1267 O ALA A 76 -7.980 -22.501 -0.822 1.00 0.00 O ATOM 1268 CB ALA A 76 -7.729 -20.326 1.179 1.00 0.00 C ATOM 1269 OXT ALA A 76 -5.854 -22.024 -1.135 1.00 0.00 O ATOM 0 H ALA A 76 -5.065 -20.327 0.845 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.108 -22.307 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.746 -20.620 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.700 -19.996 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.411 -19.510 0.530 1.00 0.00 H new TER 1275 ALA A 76