USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 894 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 77 HIS : no HE2:sc= 0.222 K(o=0.55,f=-0.31) USER MOD Set 1.2: A 104 SER OG : rot -120:sc= 0.324 USER MOD Set 2.1: A 34 ASN : amide:sc= -0.32 K(o=1.5,f=-11!) USER MOD Set 2.2: A 38 LYS NZ :NH3+ 164:sc= 1.78 (180deg=0.557) USER MOD Set 3.1: A 16 THR OG1 : rot 106:sc= 0.254 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 1 MET CE :methyl 130:sc= -0.16 (180deg=-1.16) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.682 (180deg=0.537) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 3 HIS : no HD1:sc=-0.00223 X(o=-0.0022,f=-0.1) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -2.98 K(o=-3,f=-1) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.74) USER MOD Single : A 11 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.6) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.22 (180deg=-0.682) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= 0.365 (180deg=-0.567) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -95:sc= 2 USER MOD Single : A 28 SER OG : rot -37:sc= 0.861 USER MOD Single : A 29 SER OG : rot 180:sc= -0.115 USER MOD Single : A 31 THR OG1 : rot 180:sc=0.000613 USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= -0.003 (180deg=-0.0679) USER MOD Single : A 37 SER OG : rot 180:sc= -0.395 USER MOD Single : A 40 GLN : amide:sc= -0.0301 K(o=-0.03,f=-1.1) USER MOD Single : A 42 LYS NZ :NH3+ -111:sc= 1.01 (180deg=-1.25) USER MOD Single : A 49 GLN : amide:sc= -1.11! C(o=-1.1!,f=-8.6!) USER MOD Single : A 50 GLN : amide:sc= -5.43! C(o=-5.4!,f=-9.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.25! C(o=-1.3!,f=-2.6!) USER MOD Single : A 64 THR OG1 : rot -23:sc= 1.14 USER MOD Single : A 66 SER OG : rot -34:sc= 0.294 USER MOD Single : A 68 TYR OH : rot -30:sc= -1.8 USER MOD Single : A 69 ASN : amide:sc= 0.0518 X(o=0.052,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 27:sc= -1.15! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -172:sc=-0.00149 (180deg=-0.116) USER MOD Single : A 99 LYS NZ :NH3+ -139:sc= -1.32 (180deg=-3.34!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 116.290 -8.498 6.970 1.00 0.00 N ATOM 2 CA MET A 1 117.397 -9.479 6.787 1.00 0.00 C ATOM 3 C MET A 1 117.736 -10.117 8.132 1.00 0.00 C ATOM 4 O MET A 1 117.205 -9.720 9.170 1.00 0.00 O ATOM 5 CB MET A 1 118.627 -8.758 6.224 1.00 0.00 C ATOM 6 CG MET A 1 119.174 -9.531 5.020 1.00 0.00 C ATOM 7 SD MET A 1 118.023 -9.384 3.631 1.00 0.00 S ATOM 8 CE MET A 1 118.323 -7.638 3.259 1.00 0.00 C ATOM 0 H1 MET A 1 115.887 -8.253 6.043 1.00 0.00 H new ATOM 0 H2 MET A 1 115.550 -8.917 7.569 1.00 0.00 H new ATOM 0 H3 MET A 1 116.659 -7.639 7.425 1.00 0.00 H new ATOM 0 HA MET A 1 117.088 -10.258 6.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 118.361 -7.744 5.927 1.00 0.00 H new ATOM 0 HB3 MET A 1 119.395 -8.674 6.993 1.00 0.00 H new ATOM 0 HG2 MET A 1 120.152 -9.141 4.738 1.00 0.00 H new ATOM 0 HG3 MET A 1 119.313 -10.580 5.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 118.520 -7.522 2.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 117.446 -7.052 3.532 1.00 0.00 H new ATOM 0 HE3 MET A 1 119.185 -7.288 3.827 1.00 0.00 H new ATOM 20 N HIS A 2 118.625 -11.108 8.103 1.00 0.00 N ATOM 21 CA HIS A 2 119.034 -11.798 9.324 1.00 0.00 C ATOM 22 C HIS A 2 119.662 -10.817 10.311 1.00 0.00 C ATOM 23 O HIS A 2 119.303 -10.793 11.488 1.00 0.00 O ATOM 24 CB HIS A 2 120.041 -12.902 8.985 1.00 0.00 C ATOM 25 CG HIS A 2 120.057 -13.926 10.088 1.00 0.00 C ATOM 26 ND1 HIS A 2 120.735 -13.720 11.279 1.00 0.00 N ATOM 27 CD2 HIS A 2 119.482 -15.168 10.193 1.00 0.00 C ATOM 28 CE1 HIS A 2 120.553 -14.814 12.043 1.00 0.00 C ATOM 29 NE2 HIS A 2 119.796 -15.727 11.429 1.00 0.00 N ATOM 0 H HIS A 2 119.073 -11.449 7.253 1.00 0.00 H new ATOM 0 HA HIS A 2 118.150 -12.240 9.784 1.00 0.00 H new ATOM 0 HB2 HIS A 2 119.773 -13.375 8.040 1.00 0.00 H new ATOM 0 HB3 HIS A 2 121.036 -12.475 8.857 1.00 0.00 H new ATOM 0 HD2 HIS A 2 118.878 -15.640 9.432 1.00 0.00 H new ATOM 0 HE1 HIS A 2 120.969 -14.938 13.032 1.00 0.00 H new ATOM 0 HE2 HIS A 2 119.510 -16.638 11.788 1.00 0.00 H new ATOM 37 N HIS A 3 120.600 -10.012 9.818 1.00 0.00 N ATOM 38 CA HIS A 3 121.277 -9.027 10.658 1.00 0.00 C ATOM 39 C HIS A 3 120.897 -7.611 10.234 1.00 0.00 C ATOM 40 O HIS A 3 120.684 -6.738 11.076 1.00 0.00 O ATOM 41 CB HIS A 3 122.796 -9.205 10.550 1.00 0.00 C ATOM 42 CG HIS A 3 123.485 -8.174 11.402 1.00 0.00 C ATOM 43 ND1 HIS A 3 123.109 -7.924 12.712 1.00 0.00 N ATOM 44 CD2 HIS A 3 124.526 -7.316 11.141 1.00 0.00 C ATOM 45 CE1 HIS A 3 123.909 -6.953 13.187 1.00 0.00 C ATOM 46 NE2 HIS A 3 124.792 -6.546 12.270 1.00 0.00 N ATOM 0 H HIS A 3 120.908 -10.022 8.846 1.00 0.00 H new ATOM 0 HA HIS A 3 120.966 -9.181 11.691 1.00 0.00 H new ATOM 0 HB2 HIS A 3 123.079 -10.207 10.873 1.00 0.00 H new ATOM 0 HB3 HIS A 3 123.112 -9.104 9.512 1.00 0.00 H new ATOM 0 HD2 HIS A 3 125.057 -7.249 10.203 1.00 0.00 H new ATOM 0 HE1 HIS A 3 123.846 -6.551 14.187 1.00 0.00 H new ATOM 0 HE2 HIS A 3 125.507 -5.826 12.375 1.00 0.00 H new ATOM 54 N HIS A 4 120.818 -7.394 8.924 1.00 0.00 N ATOM 55 CA HIS A 4 120.468 -6.081 8.391 1.00 0.00 C ATOM 56 C HIS A 4 118.979 -5.804 8.570 1.00 0.00 C ATOM 57 O HIS A 4 118.134 -6.599 8.157 1.00 0.00 O ATOM 58 CB HIS A 4 120.832 -6.007 6.906 1.00 0.00 C ATOM 59 CG HIS A 4 122.314 -6.206 6.745 1.00 0.00 C ATOM 60 ND1 HIS A 4 122.863 -7.434 6.407 1.00 0.00 N ATOM 61 CD2 HIS A 4 123.374 -5.344 6.877 1.00 0.00 C ATOM 62 CE1 HIS A 4 124.198 -7.278 6.349 1.00 0.00 C ATOM 63 NE2 HIS A 4 124.563 -6.023 6.628 1.00 0.00 N ATOM 0 H HIS A 4 120.991 -8.107 8.215 1.00 0.00 H new ATOM 0 HA HIS A 4 121.030 -5.326 8.941 1.00 0.00 H new ATOM 0 HB2 HIS A 4 120.289 -6.770 6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 4 120.537 -5.041 6.495 1.00 0.00 H new ATOM 0 HD2 HIS A 4 123.297 -4.298 7.135 1.00 0.00 H new ATOM 0 HE1 HIS A 4 124.890 -8.071 6.106 1.00 0.00 H new ATOM 0 HE2 HIS A 4 125.510 -5.644 6.653 1.00 0.00 H new ATOM 71 N HIS A 5 118.668 -4.668 9.188 1.00 0.00 N ATOM 72 CA HIS A 5 117.279 -4.282 9.418 1.00 0.00 C ATOM 73 C HIS A 5 116.671 -3.701 8.137 1.00 0.00 C ATOM 74 O HIS A 5 116.684 -4.353 7.092 1.00 0.00 O ATOM 75 CB HIS A 5 117.203 -3.258 10.561 1.00 0.00 C ATOM 76 CG HIS A 5 118.158 -2.117 10.307 1.00 0.00 C ATOM 77 ND1 HIS A 5 118.425 -1.154 11.268 1.00 0.00 N ATOM 78 CD2 HIS A 5 118.912 -1.769 9.210 1.00 0.00 C ATOM 79 CE1 HIS A 5 119.304 -0.284 10.738 1.00 0.00 C ATOM 80 NE2 HIS A 5 119.634 -0.613 9.486 1.00 0.00 N ATOM 0 H HIS A 5 119.356 -4.001 9.537 1.00 0.00 H new ATOM 0 HA HIS A 5 116.707 -5.166 9.700 1.00 0.00 H new ATOM 0 HB2 HIS A 5 116.186 -2.877 10.650 1.00 0.00 H new ATOM 0 HB3 HIS A 5 117.446 -3.741 11.508 1.00 0.00 H new ATOM 0 HD2 HIS A 5 118.939 -2.311 8.276 1.00 0.00 H new ATOM 0 HE1 HIS A 5 119.695 0.576 11.261 1.00 0.00 H new ATOM 0 HE2 HIS A 5 120.278 -0.122 8.866 1.00 0.00 H new ATOM 88 N HIS A 6 116.149 -2.477 8.224 1.00 0.00 N ATOM 89 CA HIS A 6 115.547 -1.815 7.067 1.00 0.00 C ATOM 90 C HIS A 6 114.289 -2.551 6.607 1.00 0.00 C ATOM 91 O HIS A 6 114.368 -3.609 5.982 1.00 0.00 O ATOM 92 CB HIS A 6 116.560 -1.744 5.917 1.00 0.00 C ATOM 93 CG HIS A 6 116.280 -0.530 5.073 1.00 0.00 C ATOM 94 ND1 HIS A 6 117.004 0.644 5.206 1.00 0.00 N ATOM 95 CD2 HIS A 6 115.359 -0.294 4.083 1.00 0.00 C ATOM 96 CE1 HIS A 6 116.511 1.526 4.318 1.00 0.00 C ATOM 97 NE2 HIS A 6 115.507 1.006 3.608 1.00 0.00 N ATOM 0 H HIS A 6 116.131 -1.925 9.082 1.00 0.00 H new ATOM 0 HA HIS A 6 115.264 -0.805 7.362 1.00 0.00 H new ATOM 0 HB2 HIS A 6 117.574 -1.697 6.314 1.00 0.00 H new ATOM 0 HB3 HIS A 6 116.498 -2.646 5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 6 114.631 -1.008 3.727 1.00 0.00 H new ATOM 0 HE1 HIS A 6 116.882 2.533 4.194 1.00 0.00 H new ATOM 0 HE2 HIS A 6 114.965 1.463 2.875 1.00 0.00 H new ATOM 105 N HIS A 7 113.131 -1.975 6.917 1.00 0.00 N ATOM 106 CA HIS A 7 111.855 -2.571 6.529 1.00 0.00 C ATOM 107 C HIS A 7 110.754 -1.514 6.541 1.00 0.00 C ATOM 108 O HIS A 7 110.298 -1.088 7.602 1.00 0.00 O ATOM 109 CB HIS A 7 111.482 -3.720 7.476 1.00 0.00 C ATOM 110 CG HIS A 7 112.113 -3.506 8.826 1.00 0.00 C ATOM 111 ND1 HIS A 7 113.316 -4.097 9.180 1.00 0.00 N ATOM 112 CD2 HIS A 7 111.718 -2.777 9.920 1.00 0.00 C ATOM 113 CE1 HIS A 7 113.599 -3.716 10.439 1.00 0.00 C ATOM 114 NE2 HIS A 7 112.658 -2.910 10.937 1.00 0.00 N ATOM 0 H HIS A 7 113.049 -1.099 7.434 1.00 0.00 H new ATOM 0 HA HIS A 7 111.958 -2.970 5.520 1.00 0.00 H new ATOM 0 HB2 HIS A 7 110.398 -3.780 7.578 1.00 0.00 H new ATOM 0 HB3 HIS A 7 111.815 -4.669 7.057 1.00 0.00 H new ATOM 0 HD2 HIS A 7 110.814 -2.189 9.982 1.00 0.00 H new ATOM 0 HE1 HIS A 7 114.481 -4.025 10.981 1.00 0.00 H new ATOM 0 HE2 HIS A 7 112.634 -2.484 11.863 1.00 0.00 H new ATOM 122 N GLY A 8 110.341 -1.095 5.348 1.00 0.00 N ATOM 123 CA GLY A 8 109.298 -0.084 5.215 1.00 0.00 C ATOM 124 C GLY A 8 109.227 0.424 3.781 1.00 0.00 C ATOM 125 O GLY A 8 109.309 1.628 3.532 1.00 0.00 O ATOM 0 H GLY A 8 110.712 -1.439 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 8 108.336 -0.505 5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 8 109.500 0.746 5.892 1.00 0.00 H new ATOM 129 N GLU A 9 109.081 -0.507 2.842 1.00 0.00 N ATOM 130 CA GLU A 9 109.004 -0.161 1.429 1.00 0.00 C ATOM 131 C GLU A 9 107.899 -0.968 0.761 1.00 0.00 C ATOM 132 O GLU A 9 108.077 -1.504 -0.335 1.00 0.00 O ATOM 133 CB GLU A 9 110.345 -0.448 0.745 1.00 0.00 C ATOM 134 CG GLU A 9 111.444 0.403 1.387 1.00 0.00 C ATOM 135 CD GLU A 9 112.807 0.004 0.830 1.00 0.00 C ATOM 136 OE1 GLU A 9 113.165 0.505 -0.223 1.00 0.00 O ATOM 137 OE2 GLU A 9 113.472 -0.799 1.464 1.00 0.00 O ATOM 0 H GLU A 9 109.014 -1.506 3.036 1.00 0.00 H new ATOM 0 HA GLU A 9 108.779 0.901 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 9 110.591 -1.506 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 9 110.276 -0.227 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 9 111.258 1.459 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 9 111.432 0.271 2.469 1.00 0.00 H new ATOM 144 N PHE A 10 106.756 -1.047 1.434 1.00 0.00 N ATOM 145 CA PHE A 10 105.616 -1.789 0.910 1.00 0.00 C ATOM 146 C PHE A 10 104.474 -0.832 0.597 1.00 0.00 C ATOM 147 O PHE A 10 103.999 -0.109 1.473 1.00 0.00 O ATOM 148 CB PHE A 10 105.149 -2.836 1.931 1.00 0.00 C ATOM 149 CG PHE A 10 106.268 -3.141 2.902 1.00 0.00 C ATOM 150 CD1 PHE A 10 107.410 -3.822 2.462 1.00 0.00 C ATOM 151 CD2 PHE A 10 106.167 -2.738 4.239 1.00 0.00 C ATOM 152 CE1 PHE A 10 108.450 -4.100 3.357 1.00 0.00 C ATOM 153 CE2 PHE A 10 107.206 -3.017 5.135 1.00 0.00 C ATOM 154 CZ PHE A 10 108.347 -3.697 4.694 1.00 0.00 C ATOM 0 H PHE A 10 106.595 -0.608 2.340 1.00 0.00 H new ATOM 0 HA PHE A 10 105.920 -2.298 -0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 10 104.277 -2.467 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 10 104.843 -3.747 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.488 -4.133 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 10 105.287 -2.212 4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 10 109.331 -4.625 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 10 107.127 -2.707 6.167 1.00 0.00 H new ATOM 0 HZ PHE A 10 109.149 -3.911 5.385 1.00 0.00 H new ATOM 164 N GLN A 11 104.044 -0.830 -0.660 1.00 0.00 N ATOM 165 CA GLN A 11 102.958 0.045 -1.088 1.00 0.00 C ATOM 166 C GLN A 11 101.803 -0.772 -1.654 1.00 0.00 C ATOM 167 O GLN A 11 101.936 -1.410 -2.700 1.00 0.00 O ATOM 168 CB GLN A 11 103.461 1.020 -2.160 1.00 0.00 C ATOM 169 CG GLN A 11 104.722 1.737 -1.665 1.00 0.00 C ATOM 170 CD GLN A 11 105.971 0.969 -2.086 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.853 0.722 -1.265 1.00 0.00 O ATOM 172 NE2 GLN A 11 106.105 0.577 -3.325 1.00 0.00 N ATOM 0 H GLN A 11 104.428 -1.421 -1.397 1.00 0.00 H new ATOM 0 HA GLN A 11 102.607 0.604 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.678 0.480 -3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.685 1.750 -2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.756 2.748 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 11 104.693 1.829 -0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.374 0.781 -4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.941 0.067 -3.611 1.00 0.00 H new ATOM 181 N ILE A 12 100.668 -0.751 -0.958 1.00 0.00 N ATOM 182 CA ILE A 12 99.495 -1.496 -1.407 1.00 0.00 C ATOM 183 C ILE A 12 98.846 -0.793 -2.592 1.00 0.00 C ATOM 184 O ILE A 12 99.295 0.272 -3.015 1.00 0.00 O ATOM 185 CB ILE A 12 98.477 -1.625 -0.268 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.971 -0.232 0.133 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.136 -2.305 0.937 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.737 -0.365 1.029 1.00 0.00 C ATOM 0 H ILE A 12 100.536 -0.232 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 12 99.817 -2.492 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 12 97.634 -2.229 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.756 0.312 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.724 0.345 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.410 -2.396 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.485 -3.297 0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.982 -1.707 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.383 0.627 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.950 -0.892 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.998 -0.925 1.927 1.00 0.00 H new ATOM 200 N PHE A 13 97.783 -1.391 -3.115 1.00 0.00 N ATOM 201 CA PHE A 13 97.069 -0.812 -4.245 1.00 0.00 C ATOM 202 C PHE A 13 95.579 -0.753 -3.942 1.00 0.00 C ATOM 203 O PHE A 13 95.003 -1.716 -3.439 1.00 0.00 O ATOM 204 CB PHE A 13 97.317 -1.641 -5.507 1.00 0.00 C ATOM 205 CG PHE A 13 98.805 -1.740 -5.758 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.465 -0.731 -6.469 1.00 0.00 C ATOM 207 CD2 PHE A 13 99.526 -2.840 -5.273 1.00 0.00 C ATOM 208 CE1 PHE A 13 100.844 -0.821 -6.697 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.905 -2.928 -5.502 1.00 0.00 C ATOM 210 CZ PHE A 13 101.563 -1.919 -6.214 1.00 0.00 C ATOM 0 H PHE A 13 97.398 -2.273 -2.776 1.00 0.00 H new ATOM 0 HA PHE A 13 97.437 0.200 -4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 13 96.889 -2.637 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.823 -1.179 -6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 13 98.911 0.117 -6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 13 99.019 -3.619 -4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.352 -0.042 -7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 13 101.461 -3.775 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 13 102.626 -1.988 -6.391 1.00 0.00 H new ATOM 220 N ALA A 14 94.965 0.385 -4.249 1.00 0.00 N ATOM 221 CA ALA A 14 93.540 0.573 -4.006 1.00 0.00 C ATOM 222 C ALA A 14 92.820 0.881 -5.311 1.00 0.00 C ATOM 223 O ALA A 14 93.345 1.599 -6.163 1.00 0.00 O ATOM 224 CB ALA A 14 93.326 1.722 -3.017 1.00 0.00 C ATOM 0 H ALA A 14 95.432 1.190 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 14 93.133 -0.346 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.259 1.856 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 14 93.823 1.489 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 14 93.744 2.640 -3.430 1.00 0.00 H new ATOM 230 N LYS A 15 91.616 0.338 -5.463 1.00 0.00 N ATOM 231 CA LYS A 15 90.838 0.567 -6.671 1.00 0.00 C ATOM 232 C LYS A 15 89.407 0.958 -6.331 1.00 0.00 C ATOM 233 O LYS A 15 88.681 0.205 -5.678 1.00 0.00 O ATOM 234 CB LYS A 15 90.831 -0.684 -7.551 1.00 0.00 C ATOM 235 CG LYS A 15 90.382 -0.299 -8.968 1.00 0.00 C ATOM 236 CD LYS A 15 91.453 -0.714 -9.985 1.00 0.00 C ATOM 237 CE LYS A 15 91.205 -2.156 -10.442 1.00 0.00 C ATOM 238 NZ LYS A 15 91.691 -3.104 -9.400 1.00 0.00 N ATOM 0 H LYS A 15 91.163 -0.258 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 15 91.306 1.386 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.826 -1.129 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.158 -1.433 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.436 -0.786 -9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.211 0.776 -9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.432 -0.042 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.444 -0.630 -9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 15 90.141 -2.313 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 15 91.719 -2.342 -11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 91.808 -4.049 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 92.605 -2.774 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 91.000 -3.152 -8.624 1.00 0.00 H new ATOM 252 N THR A 16 89.014 2.144 -6.774 1.00 0.00 N ATOM 253 CA THR A 16 87.671 2.641 -6.515 1.00 0.00 C ATOM 254 C THR A 16 86.670 2.028 -7.490 1.00 0.00 C ATOM 255 O THR A 16 87.046 1.286 -8.399 1.00 0.00 O ATOM 256 CB THR A 16 87.645 4.166 -6.642 1.00 0.00 C ATOM 257 OG1 THR A 16 88.191 4.548 -7.897 1.00 0.00 O ATOM 258 CG2 THR A 16 88.463 4.793 -5.511 1.00 0.00 C ATOM 0 H THR A 16 89.604 2.778 -7.313 1.00 0.00 H new ATOM 0 HA THR A 16 87.390 2.356 -5.501 1.00 0.00 H new ATOM 0 HB THR A 16 86.615 4.516 -6.575 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.468 4.830 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 16 88.442 5.879 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 16 88.037 4.504 -4.550 1.00 0.00 H new ATOM 0 HG23 THR A 16 89.494 4.444 -5.571 1.00 0.00 H new ATOM 266 N LEU A 17 85.395 2.349 -7.289 1.00 0.00 N ATOM 267 CA LEU A 17 84.332 1.837 -8.147 1.00 0.00 C ATOM 268 C LEU A 17 84.626 2.165 -9.609 1.00 0.00 C ATOM 269 O LEU A 17 84.550 1.296 -10.479 1.00 0.00 O ATOM 270 CB LEU A 17 82.993 2.463 -7.726 1.00 0.00 C ATOM 271 CG LEU A 17 81.809 1.722 -8.372 1.00 0.00 C ATOM 272 CD1 LEU A 17 81.780 1.981 -9.883 1.00 0.00 C ATOM 273 CD2 LEU A 17 81.926 0.215 -8.110 1.00 0.00 C ATOM 0 H LEU A 17 85.073 2.961 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 17 84.276 0.754 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 17 82.898 2.431 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 17 82.971 3.513 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 17 80.884 2.093 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 17 80.937 1.451 -10.327 1.00 0.00 H new ATOM 0 HD12 LEU A 17 81.674 3.050 -10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.708 1.627 -10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.084 -0.301 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 17 82.857 -0.157 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 17 81.920 0.031 -7.036 1.00 0.00 H new ATOM 285 N THR A 18 84.963 3.426 -9.865 1.00 0.00 N ATOM 286 CA THR A 18 85.268 3.876 -11.220 1.00 0.00 C ATOM 287 C THR A 18 86.438 3.088 -11.810 1.00 0.00 C ATOM 288 O THR A 18 86.601 3.025 -13.028 1.00 0.00 O ATOM 289 CB THR A 18 85.603 5.370 -11.203 1.00 0.00 C ATOM 290 OG1 THR A 18 86.784 5.582 -10.439 1.00 0.00 O ATOM 291 CG2 THR A 18 84.440 6.147 -10.577 1.00 0.00 C ATOM 0 H THR A 18 85.032 4.153 -9.153 1.00 0.00 H new ATOM 0 HA THR A 18 84.392 3.704 -11.845 1.00 0.00 H new ATOM 0 HB THR A 18 85.764 5.719 -12.223 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.000 6.538 -10.429 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.678 7.211 -10.565 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.536 5.984 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.278 5.800 -9.557 1.00 0.00 H new ATOM 299 N GLY A 19 87.243 2.484 -10.937 1.00 0.00 N ATOM 300 CA GLY A 19 88.389 1.694 -11.379 1.00 0.00 C ATOM 301 C GLY A 19 89.672 2.520 -11.374 1.00 0.00 C ATOM 302 O GLY A 19 90.515 2.376 -12.259 1.00 0.00 O ATOM 0 H GLY A 19 87.123 2.527 -9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.509 0.829 -10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.204 1.313 -12.383 1.00 0.00 H new ATOM 306 N LYS A 20 89.816 3.380 -10.367 1.00 0.00 N ATOM 307 CA LYS A 20 91.006 4.219 -10.251 1.00 0.00 C ATOM 308 C LYS A 20 92.057 3.519 -9.393 1.00 0.00 C ATOM 309 O LYS A 20 91.809 3.214 -8.228 1.00 0.00 O ATOM 310 CB LYS A 20 90.636 5.569 -9.623 1.00 0.00 C ATOM 311 CG LYS A 20 91.570 6.663 -10.154 1.00 0.00 C ATOM 312 CD LYS A 20 92.839 6.717 -9.300 1.00 0.00 C ATOM 313 CE LYS A 20 93.765 7.818 -9.823 1.00 0.00 C ATOM 314 NZ LYS A 20 95.121 7.652 -9.227 1.00 0.00 N ATOM 0 H LYS A 20 89.129 3.513 -9.625 1.00 0.00 H new ATOM 0 HA LYS A 20 91.416 4.390 -11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.601 5.817 -9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.712 5.508 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 20 91.828 6.461 -11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.064 7.628 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 92.581 6.910 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.350 5.755 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 20 93.826 7.771 -10.910 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.362 8.798 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.829 8.098 -9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 95.146 8.103 -8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 95.336 6.639 -9.130 1.00 0.00 H new ATOM 328 N THR A 21 93.231 3.272 -9.973 1.00 0.00 N ATOM 329 CA THR A 21 94.308 2.606 -9.247 1.00 0.00 C ATOM 330 C THR A 21 95.132 3.619 -8.457 1.00 0.00 C ATOM 331 O THR A 21 95.637 4.594 -9.015 1.00 0.00 O ATOM 332 CB THR A 21 95.217 1.855 -10.226 1.00 0.00 C ATOM 333 OG1 THR A 21 94.430 1.307 -11.276 1.00 0.00 O ATOM 334 CG2 THR A 21 95.947 0.727 -9.492 1.00 0.00 C ATOM 0 H THR A 21 93.458 3.521 -10.936 1.00 0.00 H new ATOM 0 HA THR A 21 93.863 1.896 -8.550 1.00 0.00 H new ATOM 0 HB THR A 21 95.950 2.547 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.010 0.828 -11.904 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.592 0.196 -10.192 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.552 1.147 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.218 0.034 -9.073 1.00 0.00 H new ATOM 342 N ILE A 22 95.259 3.380 -7.153 1.00 0.00 N ATOM 343 CA ILE A 22 96.022 4.274 -6.283 1.00 0.00 C ATOM 344 C ILE A 22 96.971 3.474 -5.392 1.00 0.00 C ATOM 345 O ILE A 22 96.559 2.520 -4.731 1.00 0.00 O ATOM 346 CB ILE A 22 95.065 5.099 -5.413 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.023 5.788 -6.307 1.00 0.00 C ATOM 348 CG2 ILE A 22 95.857 6.161 -4.642 1.00 0.00 C ATOM 349 CD1 ILE A 22 92.814 6.207 -5.467 1.00 0.00 C ATOM 0 H ILE A 22 94.845 2.578 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 22 96.612 4.945 -6.907 1.00 0.00 H new ATOM 0 HB ILE A 22 94.560 4.440 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.464 6.661 -6.788 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.708 5.112 -7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.175 6.746 -4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.595 5.673 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.364 6.820 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.078 6.695 -6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.367 5.325 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.134 6.899 -4.688 1.00 0.00 H new ATOM 361 N THR A 23 98.244 3.870 -5.385 1.00 0.00 N ATOM 362 CA THR A 23 99.255 3.187 -4.578 1.00 0.00 C ATOM 363 C THR A 23 99.626 4.027 -3.358 1.00 0.00 C ATOM 364 O THR A 23 99.935 5.209 -3.485 1.00 0.00 O ATOM 365 CB THR A 23 100.505 2.933 -5.430 1.00 0.00 C ATOM 366 OG1 THR A 23 100.138 2.226 -6.607 1.00 0.00 O ATOM 367 CG2 THR A 23 101.522 2.111 -4.635 1.00 0.00 C ATOM 0 H THR A 23 98.599 4.658 -5.927 1.00 0.00 H new ATOM 0 HA THR A 23 98.846 2.237 -4.234 1.00 0.00 H new ATOM 0 HB THR A 23 100.954 3.888 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.266 1.265 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.406 1.935 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.806 2.656 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 23 101.079 1.155 -4.355 1.00 0.00 H new ATOM 375 N LEU A 24 99.589 3.408 -2.176 1.00 0.00 N ATOM 376 CA LEU A 24 99.924 4.116 -0.938 1.00 0.00 C ATOM 377 C LEU A 24 100.889 3.297 -0.078 1.00 0.00 C ATOM 378 O LEU A 24 100.748 2.078 0.043 1.00 0.00 O ATOM 379 CB LEU A 24 98.649 4.421 -0.141 1.00 0.00 C ATOM 380 CG LEU A 24 97.673 3.242 -0.239 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.883 3.121 1.066 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.701 3.472 -1.401 1.00 0.00 C ATOM 0 H LEU A 24 99.333 2.429 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 24 100.414 5.052 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.900 4.610 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.178 5.326 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 24 98.235 2.324 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.190 2.283 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.572 2.953 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.324 4.041 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.009 2.633 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.141 4.391 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.261 3.556 -2.332 1.00 0.00 H new ATOM 394 N GLU A 25 101.871 3.982 0.510 1.00 0.00 N ATOM 395 CA GLU A 25 102.870 3.327 1.357 1.00 0.00 C ATOM 396 C GLU A 25 102.282 2.955 2.718 1.00 0.00 C ATOM 397 O GLU A 25 101.932 3.830 3.512 1.00 0.00 O ATOM 398 CB GLU A 25 104.069 4.259 1.563 1.00 0.00 C ATOM 399 CG GLU A 25 104.652 4.663 0.204 1.00 0.00 C ATOM 400 CD GLU A 25 106.170 4.493 0.210 1.00 0.00 C ATOM 401 OE1 GLU A 25 106.621 3.359 0.245 1.00 0.00 O ATOM 402 OE2 GLU A 25 106.859 5.500 0.181 1.00 0.00 O ATOM 0 H GLU A 25 101.996 4.990 0.416 1.00 0.00 H new ATOM 0 HA GLU A 25 103.190 2.414 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 25 103.761 5.147 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.831 3.760 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 25 104.213 4.051 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 25 104.396 5.699 -0.016 1.00 0.00 H new ATOM 409 N VAL A 26 102.176 1.652 2.977 1.00 0.00 N ATOM 410 CA VAL A 26 101.625 1.172 4.244 1.00 0.00 C ATOM 411 C VAL A 26 102.290 -0.133 4.683 1.00 0.00 C ATOM 412 O VAL A 26 103.293 -0.559 4.111 1.00 0.00 O ATOM 413 CB VAL A 26 100.113 0.951 4.113 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.410 2.292 3.883 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.833 0.019 2.933 1.00 0.00 C ATOM 0 H VAL A 26 102.462 0.915 2.332 1.00 0.00 H new ATOM 0 HA VAL A 26 101.823 1.933 4.999 1.00 0.00 H new ATOM 0 HB VAL A 26 99.736 0.500 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.336 2.129 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.605 2.954 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.788 2.749 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.758 -0.138 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.215 0.468 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.326 -0.938 3.101 1.00 0.00 H new ATOM 425 N GLU A 27 101.703 -0.759 5.703 1.00 0.00 N ATOM 426 CA GLU A 27 102.214 -2.022 6.233 1.00 0.00 C ATOM 427 C GLU A 27 101.199 -3.137 6.006 1.00 0.00 C ATOM 428 O GLU A 27 100.033 -2.875 5.717 1.00 0.00 O ATOM 429 CB GLU A 27 102.499 -1.884 7.731 1.00 0.00 C ATOM 430 CG GLU A 27 103.644 -0.891 7.950 1.00 0.00 C ATOM 431 CD GLU A 27 103.085 0.473 8.349 1.00 0.00 C ATOM 432 OE1 GLU A 27 102.700 0.621 9.498 1.00 0.00 O ATOM 433 OE2 GLU A 27 103.050 1.349 7.499 1.00 0.00 O ATOM 0 H GLU A 27 100.871 -0.411 6.179 1.00 0.00 H new ATOM 0 HA GLU A 27 103.139 -2.271 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.604 -1.542 8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.761 -2.855 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.313 -1.260 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 27 104.235 -0.798 7.039 1.00 0.00 H new ATOM 440 N SER A 28 101.646 -4.383 6.138 1.00 0.00 N ATOM 441 CA SER A 28 100.762 -5.529 5.945 1.00 0.00 C ATOM 442 C SER A 28 99.668 -5.555 7.009 1.00 0.00 C ATOM 443 O SER A 28 98.664 -6.249 6.859 1.00 0.00 O ATOM 444 CB SER A 28 101.572 -6.828 6.007 1.00 0.00 C ATOM 445 OG SER A 28 101.489 -7.495 4.755 1.00 0.00 O ATOM 0 H SER A 28 102.608 -4.624 6.376 1.00 0.00 H new ATOM 0 HA SER A 28 100.292 -5.439 4.966 1.00 0.00 H new ATOM 0 HB2 SER A 28 102.613 -6.610 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 28 101.190 -7.471 6.800 1.00 0.00 H new ATOM 0 HG SER A 28 100.590 -7.381 4.383 1.00 0.00 H new ATOM 451 N SER A 29 99.890 -4.821 8.094 1.00 0.00 N ATOM 452 CA SER A 29 98.945 -4.773 9.205 1.00 0.00 C ATOM 453 C SER A 29 98.375 -3.368 9.383 1.00 0.00 C ATOM 454 O SER A 29 97.631 -3.116 10.332 1.00 0.00 O ATOM 455 CB SER A 29 99.644 -5.206 10.496 1.00 0.00 C ATOM 456 OG SER A 29 100.445 -6.352 10.236 1.00 0.00 O ATOM 0 H SER A 29 100.722 -4.247 8.228 1.00 0.00 H new ATOM 0 HA SER A 29 98.123 -5.453 8.981 1.00 0.00 H new ATOM 0 HB2 SER A 29 100.263 -4.394 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 29 98.905 -5.432 11.265 1.00 0.00 H new ATOM 0 HG SER A 29 100.895 -6.630 11.061 1.00 0.00 H new ATOM 462 N ASP A 30 98.728 -2.456 8.474 1.00 0.00 N ATOM 463 CA ASP A 30 98.236 -1.080 8.549 1.00 0.00 C ATOM 464 C ASP A 30 96.743 -1.065 8.872 1.00 0.00 C ATOM 465 O ASP A 30 96.023 -2.010 8.553 1.00 0.00 O ATOM 466 CB ASP A 30 98.481 -0.367 7.214 1.00 0.00 C ATOM 467 CG ASP A 30 99.091 1.014 7.449 1.00 0.00 C ATOM 468 OD1 ASP A 30 100.125 1.085 8.092 1.00 0.00 O ATOM 469 OD2 ASP A 30 98.518 1.980 6.973 1.00 0.00 O ATOM 0 H ASP A 30 99.347 -2.643 7.685 1.00 0.00 H new ATOM 0 HA ASP A 30 98.773 -0.560 9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.148 -0.965 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.542 -0.268 6.670 1.00 0.00 H new ATOM 474 N THR A 31 96.283 0.012 9.497 1.00 0.00 N ATOM 475 CA THR A 31 94.871 0.125 9.850 1.00 0.00 C ATOM 476 C THR A 31 94.110 0.887 8.775 1.00 0.00 C ATOM 477 O THR A 31 94.696 1.662 8.020 1.00 0.00 O ATOM 478 CB THR A 31 94.716 0.841 11.196 1.00 0.00 C ATOM 479 OG1 THR A 31 95.102 2.202 11.056 1.00 0.00 O ATOM 480 CG2 THR A 31 95.599 0.161 12.245 1.00 0.00 C ATOM 0 H THR A 31 96.857 0.810 9.767 1.00 0.00 H new ATOM 0 HA THR A 31 94.458 -0.881 9.929 1.00 0.00 H new ATOM 0 HB THR A 31 93.675 0.791 11.515 1.00 0.00 H new ATOM 0 HG1 THR A 31 95.001 2.661 11.916 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.487 0.672 13.201 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.299 -0.881 12.353 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.641 0.207 11.929 1.00 0.00 H new ATOM 488 N ILE A 32 92.800 0.661 8.713 1.00 0.00 N ATOM 489 CA ILE A 32 91.963 1.333 7.725 1.00 0.00 C ATOM 490 C ILE A 32 92.142 2.846 7.822 1.00 0.00 C ATOM 491 O ILE A 32 92.429 3.503 6.824 1.00 0.00 O ATOM 492 CB ILE A 32 90.493 0.966 7.942 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.309 -0.557 7.838 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.624 1.658 6.885 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.937 -1.078 6.540 1.00 0.00 C ATOM 0 H ILE A 32 92.299 0.022 9.331 1.00 0.00 H new ATOM 0 HA ILE A 32 92.267 1.006 6.731 1.00 0.00 H new ATOM 0 HB ILE A 32 90.190 1.297 8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.771 -1.046 8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.248 -0.805 7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.579 1.394 7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.742 2.738 6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 32 89.933 1.334 5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.800 -2.158 6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.456 -0.601 5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.002 -0.846 6.532 1.00 0.00 H new ATOM 507 N ASP A 33 91.976 3.395 9.026 1.00 0.00 N ATOM 508 CA ASP A 33 92.132 4.835 9.228 1.00 0.00 C ATOM 509 C ASP A 33 93.429 5.320 8.587 1.00 0.00 C ATOM 510 O ASP A 33 93.463 6.374 7.950 1.00 0.00 O ATOM 511 CB ASP A 33 92.147 5.161 10.723 1.00 0.00 C ATOM 512 CG ASP A 33 90.850 4.690 11.375 1.00 0.00 C ATOM 513 OD1 ASP A 33 89.809 5.222 11.026 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.918 3.807 12.215 1.00 0.00 O ATOM 0 H ASP A 33 91.736 2.871 9.867 1.00 0.00 H new ATOM 0 HA ASP A 33 91.289 5.343 8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 33 93.000 4.678 11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.267 6.235 10.868 1.00 0.00 H new ATOM 519 N ASN A 34 94.488 4.530 8.748 1.00 0.00 N ATOM 520 CA ASN A 34 95.781 4.871 8.169 1.00 0.00 C ATOM 521 C ASN A 34 95.722 4.698 6.653 1.00 0.00 C ATOM 522 O ASN A 34 96.244 5.519 5.901 1.00 0.00 O ATOM 523 CB ASN A 34 96.869 3.970 8.761 1.00 0.00 C ATOM 524 CG ASN A 34 98.251 4.548 8.471 1.00 0.00 C ATOM 525 OD1 ASN A 34 98.598 4.780 7.314 1.00 0.00 O ATOM 526 ND2 ASN A 34 99.066 4.795 9.459 1.00 0.00 N ATOM 0 H ASN A 34 94.475 3.655 9.272 1.00 0.00 H new ATOM 0 HA ASN A 34 96.020 5.909 8.401 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.726 3.875 9.837 1.00 0.00 H new ATOM 0 HB3 ASN A 34 96.790 2.968 8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.992 5.181 9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.778 4.602 10.418 1.00 0.00 H new ATOM 533 N VAL A 35 95.055 3.630 6.223 1.00 0.00 N ATOM 534 CA VAL A 35 94.898 3.357 4.797 1.00 0.00 C ATOM 535 C VAL A 35 94.176 4.528 4.134 1.00 0.00 C ATOM 536 O VAL A 35 94.592 5.018 3.082 1.00 0.00 O ATOM 537 CB VAL A 35 94.100 2.061 4.582 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.660 1.960 3.117 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.975 0.851 4.933 1.00 0.00 C ATOM 0 H VAL A 35 94.617 2.943 6.837 1.00 0.00 H new ATOM 0 HA VAL A 35 95.884 3.234 4.348 1.00 0.00 H new ATOM 0 HB VAL A 35 93.220 2.074 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.095 1.040 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.033 2.815 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.539 1.953 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.406 -0.066 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.857 0.842 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.284 0.916 5.976 1.00 0.00 H new ATOM 549 N LYS A 36 93.096 4.978 4.772 1.00 0.00 N ATOM 550 CA LYS A 36 92.317 6.100 4.258 1.00 0.00 C ATOM 551 C LYS A 36 93.174 7.361 4.217 1.00 0.00 C ATOM 552 O LYS A 36 93.414 7.916 3.150 1.00 0.00 O ATOM 553 CB LYS A 36 91.089 6.335 5.144 1.00 0.00 C ATOM 554 CG LYS A 36 90.137 5.140 5.033 1.00 0.00 C ATOM 555 CD LYS A 36 88.831 5.445 5.773 1.00 0.00 C ATOM 556 CE LYS A 36 89.098 5.534 7.279 1.00 0.00 C ATOM 557 NZ LYS A 36 87.803 5.492 8.017 1.00 0.00 N ATOM 0 H LYS A 36 92.743 4.583 5.643 1.00 0.00 H new ATOM 0 HA LYS A 36 91.987 5.863 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.397 6.472 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.578 7.249 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.930 4.925 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.605 4.250 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.409 6.383 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.096 4.666 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 36 89.736 4.709 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 36 89.631 6.456 7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 87.975 5.654 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 87.170 6.232 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 87.359 4.561 7.886 1.00 0.00 H new ATOM 571 N SER A 37 93.633 7.807 5.385 1.00 0.00 N ATOM 572 CA SER A 37 94.466 9.006 5.461 1.00 0.00 C ATOM 573 C SER A 37 95.570 8.950 4.407 1.00 0.00 C ATOM 574 O SER A 37 95.756 9.892 3.633 1.00 0.00 O ATOM 575 CB SER A 37 95.083 9.129 6.855 1.00 0.00 C ATOM 576 OG SER A 37 95.844 7.962 7.141 1.00 0.00 O ATOM 0 H SER A 37 93.445 7.362 6.283 1.00 0.00 H new ATOM 0 HA SER A 37 93.841 9.878 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.719 10.013 6.906 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.299 9.257 7.601 1.00 0.00 H new ATOM 0 HG SER A 37 96.241 8.041 8.034 1.00 0.00 H new ATOM 582 N LYS A 38 96.293 7.833 4.375 1.00 0.00 N ATOM 583 CA LYS A 38 97.368 7.660 3.402 1.00 0.00 C ATOM 584 C LYS A 38 96.858 7.962 1.997 1.00 0.00 C ATOM 585 O LYS A 38 97.594 8.484 1.161 1.00 0.00 O ATOM 586 CB LYS A 38 97.909 6.229 3.453 1.00 0.00 C ATOM 587 CG LYS A 38 98.792 6.052 4.694 1.00 0.00 C ATOM 588 CD LYS A 38 100.213 6.542 4.396 1.00 0.00 C ATOM 589 CE LYS A 38 101.084 6.395 5.648 1.00 0.00 C ATOM 590 NZ LYS A 38 101.184 4.955 6.024 1.00 0.00 N ATOM 0 H LYS A 38 96.156 7.042 5.004 1.00 0.00 H new ATOM 0 HA LYS A 38 98.172 8.353 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.083 5.519 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 38 98.485 6.016 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.374 6.610 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.814 5.003 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.641 5.968 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.189 7.584 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 38 102.078 6.802 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 38 100.655 6.967 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 101.973 4.824 6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 100.297 4.652 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 101.351 4.384 5.171 1.00 0.00 H new ATOM 604 N ILE A 39 95.588 7.633 1.746 1.00 0.00 N ATOM 605 CA ILE A 39 94.986 7.876 0.439 1.00 0.00 C ATOM 606 C ILE A 39 94.727 9.370 0.228 1.00 0.00 C ATOM 607 O ILE A 39 94.969 9.892 -0.859 1.00 0.00 O ATOM 608 CB ILE A 39 93.678 7.068 0.292 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.664 6.366 -1.072 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.449 7.981 0.397 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.693 7.407 -2.197 1.00 0.00 C ATOM 0 H ILE A 39 94.963 7.201 2.427 1.00 0.00 H new ATOM 0 HA ILE A 39 95.685 7.544 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 39 93.637 6.335 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 39 94.524 5.702 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.772 5.746 -1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.543 7.385 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.445 8.476 1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.485 8.732 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.683 6.900 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.819 8.053 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.598 8.009 -2.113 1.00 0.00 H new ATOM 623 N GLN A 40 94.227 10.053 1.263 1.00 0.00 N ATOM 624 CA GLN A 40 93.942 11.481 1.148 1.00 0.00 C ATOM 625 C GLN A 40 95.192 12.245 0.725 1.00 0.00 C ATOM 626 O GLN A 40 95.104 13.293 0.098 1.00 0.00 O ATOM 627 CB GLN A 40 93.398 12.031 2.475 1.00 0.00 C ATOM 628 CG GLN A 40 94.542 12.415 3.424 1.00 0.00 C ATOM 629 CD GLN A 40 94.659 13.934 3.510 1.00 0.00 C ATOM 630 OE1 GLN A 40 95.429 14.542 2.766 1.00 0.00 O ATOM 631 NE2 GLN A 40 93.935 14.586 4.378 1.00 0.00 N ATOM 0 H GLN A 40 94.015 9.646 2.174 1.00 0.00 H new ATOM 0 HA GLN A 40 93.180 11.618 0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.773 12.903 2.282 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.763 11.283 2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 40 94.359 11.999 4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.480 11.989 3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 40 93.298 14.080 4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 40 94.006 15.602 4.441 1.00 0.00 H new ATOM 640 N ASP A 41 96.358 11.705 1.058 1.00 0.00 N ATOM 641 CA ASP A 41 97.607 12.352 0.679 1.00 0.00 C ATOM 642 C ASP A 41 97.802 12.233 -0.831 1.00 0.00 C ATOM 643 O ASP A 41 98.495 13.042 -1.450 1.00 0.00 O ATOM 644 CB ASP A 41 98.781 11.694 1.410 1.00 0.00 C ATOM 645 CG ASP A 41 100.089 12.383 1.030 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.383 13.416 1.609 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.777 11.870 0.162 1.00 0.00 O ATOM 0 H ASP A 41 96.465 10.836 1.581 1.00 0.00 H new ATOM 0 HA ASP A 41 97.566 13.405 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.629 11.755 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.831 10.636 1.155 1.00 0.00 H new ATOM 652 N LYS A 42 97.189 11.200 -1.405 1.00 0.00 N ATOM 653 CA LYS A 42 97.295 10.941 -2.839 1.00 0.00 C ATOM 654 C LYS A 42 96.156 11.587 -3.629 1.00 0.00 C ATOM 655 O LYS A 42 96.379 12.098 -4.728 1.00 0.00 O ATOM 656 CB LYS A 42 97.299 9.430 -3.105 1.00 0.00 C ATOM 657 CG LYS A 42 98.006 8.691 -1.962 1.00 0.00 C ATOM 658 CD LYS A 42 99.432 9.233 -1.786 1.00 0.00 C ATOM 659 CE LYS A 42 100.442 8.100 -1.979 1.00 0.00 C ATOM 660 NZ LYS A 42 100.453 7.686 -3.409 1.00 0.00 N ATOM 0 H LYS A 42 96.613 10.528 -0.898 1.00 0.00 H new ATOM 0 HA LYS A 42 98.233 11.384 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.275 9.068 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.803 9.221 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 42 97.445 8.815 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 42 98.038 7.622 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.621 10.028 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.546 9.669 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 42 101.436 8.429 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 42 100.180 7.253 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 100.044 6.734 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 99.891 8.358 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 101.432 7.677 -3.760 1.00 0.00 H new ATOM 674 N GLU A 43 94.933 11.542 -3.093 1.00 0.00 N ATOM 675 CA GLU A 43 93.778 12.106 -3.802 1.00 0.00 C ATOM 676 C GLU A 43 93.180 13.308 -3.067 1.00 0.00 C ATOM 677 O GLU A 43 92.176 13.869 -3.510 1.00 0.00 O ATOM 678 CB GLU A 43 92.707 11.026 -3.968 1.00 0.00 C ATOM 679 CG GLU A 43 93.245 9.905 -4.865 1.00 0.00 C ATOM 680 CD GLU A 43 92.140 9.376 -5.779 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.048 9.140 -5.285 1.00 0.00 O ATOM 682 OE2 GLU A 43 92.405 9.208 -6.960 1.00 0.00 O ATOM 0 H GLU A 43 94.717 11.128 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 43 94.124 12.453 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.427 10.624 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.807 11.456 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 43 94.075 10.278 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.636 9.094 -4.250 1.00 0.00 H new ATOM 689 N GLY A 44 93.806 13.715 -1.968 1.00 0.00 N ATOM 690 CA GLY A 44 93.328 14.870 -1.204 1.00 0.00 C ATOM 691 C GLY A 44 92.060 14.552 -0.410 1.00 0.00 C ATOM 692 O GLY A 44 91.929 14.962 0.744 1.00 0.00 O ATOM 0 H GLY A 44 94.640 13.269 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 44 94.110 15.200 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.130 15.698 -1.885 1.00 0.00 H new ATOM 696 N ILE A 45 91.124 13.842 -1.042 1.00 0.00 N ATOM 697 CA ILE A 45 89.857 13.496 -0.395 1.00 0.00 C ATOM 698 C ILE A 45 90.074 13.060 1.060 1.00 0.00 C ATOM 699 O ILE A 45 90.787 12.093 1.324 1.00 0.00 O ATOM 700 CB ILE A 45 89.155 12.373 -1.168 1.00 0.00 C ATOM 701 CG1 ILE A 45 88.968 12.791 -2.633 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.785 12.099 -0.536 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.045 11.796 -3.341 1.00 0.00 C ATOM 0 H ILE A 45 91.218 13.497 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 45 89.230 14.387 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 45 89.764 11.470 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 45 88.544 13.794 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.934 12.827 -3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.284 11.301 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.917 11.798 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.178 13.003 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 45 87.915 12.097 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 45 88.487 10.800 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.075 11.782 -2.843 1.00 0.00 H new ATOM 715 N PRO A 46 89.476 13.760 1.998 1.00 0.00 N ATOM 716 CA PRO A 46 89.606 13.448 3.455 1.00 0.00 C ATOM 717 C PRO A 46 89.315 11.976 3.772 1.00 0.00 C ATOM 718 O PRO A 46 88.383 11.388 3.223 1.00 0.00 O ATOM 719 CB PRO A 46 88.579 14.354 4.147 1.00 0.00 C ATOM 720 CG PRO A 46 87.885 15.149 3.081 1.00 0.00 C ATOM 721 CD PRO A 46 88.621 14.930 1.763 1.00 0.00 C ATOM 0 HA PRO A 46 90.627 13.621 3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.860 13.758 4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 46 89.071 15.016 4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.845 14.836 2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.878 16.208 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.923 14.751 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.213 15.804 1.491 1.00 0.00 H new ATOM 729 N PRO A 47 90.093 11.382 4.651 1.00 0.00 N ATOM 730 CA PRO A 47 89.923 9.956 5.060 1.00 0.00 C ATOM 731 C PRO A 47 88.481 9.622 5.436 1.00 0.00 C ATOM 732 O PRO A 47 87.938 8.605 5.005 1.00 0.00 O ATOM 733 CB PRO A 47 90.829 9.788 6.290 1.00 0.00 C ATOM 734 CG PRO A 47 91.468 11.117 6.558 1.00 0.00 C ATOM 735 CD PRO A 47 91.228 12.006 5.340 1.00 0.00 C ATOM 0 HA PRO A 47 90.179 9.288 4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 47 90.249 9.460 7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.587 9.027 6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 47 91.042 11.572 7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.536 10.997 6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 47 91.000 13.030 5.634 1.00 0.00 H new ATOM 0 HD3 PRO A 47 92.108 12.047 4.699 1.00 0.00 H new ATOM 743 N ASP A 48 87.873 10.484 6.248 1.00 0.00 N ATOM 744 CA ASP A 48 86.498 10.273 6.691 1.00 0.00 C ATOM 745 C ASP A 48 85.542 10.283 5.503 1.00 0.00 C ATOM 746 O ASP A 48 84.650 9.439 5.407 1.00 0.00 O ATOM 747 CB ASP A 48 86.098 11.361 7.692 1.00 0.00 C ATOM 748 CG ASP A 48 87.061 11.359 8.877 1.00 0.00 C ATOM 749 OD1 ASP A 48 88.161 11.864 8.722 1.00 0.00 O ATOM 750 OD2 ASP A 48 86.686 10.849 9.921 1.00 0.00 O ATOM 0 H ASP A 48 88.309 11.332 6.611 1.00 0.00 H new ATOM 0 HA ASP A 48 86.437 9.299 7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 48 86.109 12.336 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 48 85.079 11.190 8.040 1.00 0.00 H new ATOM 755 N GLN A 49 85.741 11.237 4.596 1.00 0.00 N ATOM 756 CA GLN A 49 84.894 11.340 3.411 1.00 0.00 C ATOM 757 C GLN A 49 84.980 10.061 2.580 1.00 0.00 C ATOM 758 O GLN A 49 84.171 9.840 1.679 1.00 0.00 O ATOM 759 CB GLN A 49 85.333 12.536 2.561 1.00 0.00 C ATOM 760 CG GLN A 49 84.206 12.931 1.602 1.00 0.00 C ATOM 761 CD GLN A 49 84.472 14.323 1.039 1.00 0.00 C ATOM 762 OE1 GLN A 49 85.197 14.467 0.053 1.00 0.00 O ATOM 763 NE2 GLN A 49 83.928 15.362 1.609 1.00 0.00 N ATOM 0 H GLN A 49 86.474 11.943 4.658 1.00 0.00 H new ATOM 0 HA GLN A 49 83.862 11.482 3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.587 13.378 3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 49 86.231 12.283 1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 49 84.137 12.207 0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.249 12.917 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 49 83.328 15.240 2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 49 84.102 16.296 1.239 1.00 0.00 H new ATOM 772 N GLN A 50 85.971 9.224 2.888 1.00 0.00 N ATOM 773 CA GLN A 50 86.161 7.971 2.162 1.00 0.00 C ATOM 774 C GLN A 50 85.924 6.765 3.067 1.00 0.00 C ATOM 775 O GLN A 50 86.017 6.860 4.292 1.00 0.00 O ATOM 776 CB GLN A 50 87.583 7.898 1.602 1.00 0.00 C ATOM 777 CG GLN A 50 87.840 9.094 0.685 1.00 0.00 C ATOM 778 CD GLN A 50 89.228 8.980 0.064 1.00 0.00 C ATOM 779 OE1 GLN A 50 89.468 8.107 -0.770 1.00 0.00 O ATOM 780 NE2 GLN A 50 90.162 9.814 0.424 1.00 0.00 N ATOM 0 H GLN A 50 86.650 9.390 3.631 1.00 0.00 H new ATOM 0 HA GLN A 50 85.437 7.948 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.305 7.892 2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.719 6.968 1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 50 87.083 9.132 -0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.760 10.022 1.251 1.00 0.00 H new ATOM 0 HE21 GLN A 50 89.962 10.537 1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 50 91.094 9.744 0.015 1.00 0.00 H new ATOM 789 N ARG A 51 85.640 5.628 2.439 1.00 0.00 N ATOM 790 CA ARG A 51 85.411 4.380 3.158 1.00 0.00 C ATOM 791 C ARG A 51 85.893 3.217 2.299 1.00 0.00 C ATOM 792 O ARG A 51 86.106 3.382 1.099 1.00 0.00 O ATOM 793 CB ARG A 51 83.924 4.212 3.491 1.00 0.00 C ATOM 794 CG ARG A 51 83.087 4.335 2.215 1.00 0.00 C ATOM 795 CD ARG A 51 81.630 3.985 2.525 1.00 0.00 C ATOM 796 NE ARG A 51 81.036 5.003 3.385 1.00 0.00 N ATOM 797 CZ ARG A 51 80.608 6.159 2.890 1.00 0.00 C ATOM 798 NH1 ARG A 51 79.667 6.173 1.984 1.00 0.00 N ATOM 799 NH2 ARG A 51 81.130 7.280 3.306 1.00 0.00 N ATOM 0 H ARG A 51 85.563 5.546 1.425 1.00 0.00 H new ATOM 0 HA ARG A 51 85.966 4.399 4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.754 3.241 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.616 4.969 4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.153 5.349 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.477 3.668 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.063 3.907 1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.579 3.012 3.013 1.00 0.00 H new ATOM 0 HE ARG A 51 80.948 4.824 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 51 79.261 5.296 1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 51 79.338 7.061 1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 51 81.867 7.269 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 51 80.801 8.168 2.926 1.00 0.00 H new ATOM 813 N LEU A 52 86.084 2.049 2.907 1.00 0.00 N ATOM 814 CA LEU A 52 86.564 0.891 2.158 1.00 0.00 C ATOM 815 C LEU A 52 85.588 -0.274 2.238 1.00 0.00 C ATOM 816 O LEU A 52 85.178 -0.683 3.323 1.00 0.00 O ATOM 817 CB LEU A 52 87.929 0.452 2.700 1.00 0.00 C ATOM 818 CG LEU A 52 89.031 1.325 2.087 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.216 2.591 2.928 1.00 0.00 C ATOM 820 CD2 LEU A 52 90.344 0.538 2.052 1.00 0.00 C ATOM 0 H LEU A 52 85.917 1.880 3.899 1.00 0.00 H new ATOM 0 HA LEU A 52 86.654 1.185 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 52 87.945 0.538 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.106 -0.597 2.461 1.00 0.00 H new ATOM 0 HG LEU A 52 88.747 1.606 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.000 3.208 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 52 88.282 3.152 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 52 89.498 2.315 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 52 91.128 1.157 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 52 90.626 0.256 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 52 90.214 -0.360 1.448 1.00 0.00 H new ATOM 832 N ILE A 53 85.230 -0.809 1.073 1.00 0.00 N ATOM 833 CA ILE A 53 84.314 -1.943 0.992 1.00 0.00 C ATOM 834 C ILE A 53 85.054 -3.133 0.394 1.00 0.00 C ATOM 835 O ILE A 53 85.611 -3.033 -0.699 1.00 0.00 O ATOM 836 CB ILE A 53 83.101 -1.578 0.115 1.00 0.00 C ATOM 837 CG1 ILE A 53 81.957 -1.059 0.994 1.00 0.00 C ATOM 838 CG2 ILE A 53 82.611 -2.813 -0.652 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.455 0.071 1.900 1.00 0.00 C ATOM 0 H ILE A 53 85.562 -0.473 0.169 1.00 0.00 H new ATOM 0 HA ILE A 53 83.956 -2.199 1.989 1.00 0.00 H new ATOM 0 HB ILE A 53 83.407 -0.806 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.142 -0.699 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 53 81.558 -1.872 1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 53 81.754 -2.542 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.412 -3.187 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.319 -3.589 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 53 81.633 0.430 2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.255 -0.301 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 53 82.832 0.889 1.287 1.00 0.00 H new ATOM 851 N TRP A 54 85.075 -4.252 1.113 1.00 0.00 N ATOM 852 CA TRP A 54 85.775 -5.436 0.626 1.00 0.00 C ATOM 853 C TRP A 54 85.097 -6.716 1.112 1.00 0.00 C ATOM 854 O TRP A 54 84.740 -6.840 2.284 1.00 0.00 O ATOM 855 CB TRP A 54 87.232 -5.399 1.106 1.00 0.00 C ATOM 856 CG TRP A 54 87.851 -6.755 0.975 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.429 -7.446 1.983 1.00 0.00 C ATOM 858 CD2 TRP A 54 87.962 -7.593 -0.212 1.00 0.00 C ATOM 859 NE1 TRP A 54 88.885 -8.656 1.493 1.00 0.00 N ATOM 860 CE2 TRP A 54 88.620 -8.794 0.145 1.00 0.00 C ATOM 861 CE3 TRP A 54 87.555 -7.431 -1.549 1.00 0.00 C ATOM 862 CZ2 TRP A 54 88.870 -9.796 -0.793 1.00 0.00 C ATOM 863 CZ3 TRP A 54 87.804 -8.439 -2.495 1.00 0.00 C ATOM 864 CH2 TRP A 54 88.459 -9.620 -2.117 1.00 0.00 C ATOM 0 H TRP A 54 84.623 -4.364 2.021 1.00 0.00 H new ATOM 0 HA TRP A 54 85.746 -5.433 -0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 54 87.798 -4.674 0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.273 -5.071 2.145 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.520 -7.108 3.005 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.359 -9.360 2.058 1.00 0.00 H new ATOM 0 HE3 TRP A 54 87.048 -6.526 -1.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 89.378 -10.702 -0.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 87.489 -8.304 -3.519 1.00 0.00 H new ATOM 0 HH2 TRP A 54 88.646 -10.393 -2.848 1.00 0.00 H new ATOM 875 N ALA A 55 84.948 -7.670 0.193 1.00 0.00 N ATOM 876 CA ALA A 55 84.339 -8.959 0.504 1.00 0.00 C ATOM 877 C ALA A 55 82.855 -8.817 0.851 1.00 0.00 C ATOM 878 O ALA A 55 82.374 -9.401 1.824 1.00 0.00 O ATOM 879 CB ALA A 55 85.087 -9.628 1.663 1.00 0.00 C ATOM 0 H ALA A 55 85.243 -7.571 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 55 84.413 -9.583 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 55 84.625 -10.589 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.129 -9.783 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.040 -8.988 2.544 1.00 0.00 H new ATOM 885 N GLY A 56 82.129 -8.062 0.031 1.00 0.00 N ATOM 886 CA GLY A 56 80.693 -7.869 0.231 1.00 0.00 C ATOM 887 C GLY A 56 80.374 -7.213 1.573 1.00 0.00 C ATOM 888 O GLY A 56 79.203 -7.037 1.913 1.00 0.00 O ATOM 0 H GLY A 56 82.510 -7.573 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.297 -7.252 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.188 -8.833 0.172 1.00 0.00 H new ATOM 892 N LYS A 57 81.406 -6.860 2.333 1.00 0.00 N ATOM 893 CA LYS A 57 81.198 -6.235 3.635 1.00 0.00 C ATOM 894 C LYS A 57 82.022 -4.961 3.765 1.00 0.00 C ATOM 895 O LYS A 57 83.215 -4.945 3.459 1.00 0.00 O ATOM 896 CB LYS A 57 81.587 -7.211 4.750 1.00 0.00 C ATOM 897 CG LYS A 57 81.332 -6.562 6.116 1.00 0.00 C ATOM 898 CD LYS A 57 80.791 -7.609 7.095 1.00 0.00 C ATOM 899 CE LYS A 57 81.910 -8.574 7.494 1.00 0.00 C ATOM 900 NZ LYS A 57 81.341 -9.691 8.300 1.00 0.00 N ATOM 0 H LYS A 57 82.384 -6.994 2.074 1.00 0.00 H new ATOM 0 HA LYS A 57 80.143 -5.977 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.009 -8.131 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.638 -7.485 4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.256 -6.132 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.619 -5.744 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 57 80.389 -7.118 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.970 -8.160 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.400 -8.967 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.671 -8.047 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.102 -10.346 8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.893 -9.308 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.631 -10.200 7.736 1.00 0.00 H new ATOM 914 N GLN A 58 81.377 -3.898 4.238 1.00 0.00 N ATOM 915 CA GLN A 58 82.060 -2.625 4.425 1.00 0.00 C ATOM 916 C GLN A 58 83.151 -2.784 5.477 1.00 0.00 C ATOM 917 O GLN A 58 82.875 -3.189 6.609 1.00 0.00 O ATOM 918 CB GLN A 58 81.062 -1.548 4.870 1.00 0.00 C ATOM 919 CG GLN A 58 79.854 -1.532 3.926 1.00 0.00 C ATOM 920 CD GLN A 58 78.744 -2.422 4.476 1.00 0.00 C ATOM 921 OE1 GLN A 58 78.493 -3.504 3.943 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.060 -2.031 5.515 1.00 0.00 N ATOM 0 H GLN A 58 80.390 -3.894 4.496 1.00 0.00 H new ATOM 0 HA GLN A 58 82.508 -2.318 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.734 -1.744 5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.545 -0.571 4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 58 79.488 -0.512 3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.152 -1.879 2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.269 -1.135 5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.316 -2.621 5.887 1.00 0.00 H new ATOM 931 N LEU A 59 84.388 -2.477 5.102 1.00 0.00 N ATOM 932 CA LEU A 59 85.508 -2.608 6.030 1.00 0.00 C ATOM 933 C LEU A 59 85.398 -1.586 7.157 1.00 0.00 C ATOM 934 O LEU A 59 85.304 -0.383 6.909 1.00 0.00 O ATOM 935 CB LEU A 59 86.839 -2.411 5.290 1.00 0.00 C ATOM 936 CG LEU A 59 87.464 -3.774 4.973 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.607 -3.591 3.972 1.00 0.00 C ATOM 938 CD2 LEU A 59 88.012 -4.397 6.261 1.00 0.00 C ATOM 0 H LEU A 59 84.640 -2.139 4.173 1.00 0.00 H new ATOM 0 HA LEU A 59 85.477 -3.610 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 59 86.674 -1.853 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.522 -1.821 5.902 1.00 0.00 H new ATOM 0 HG LEU A 59 86.706 -4.430 4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 59 89.052 -4.560 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.220 -3.147 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.365 -2.935 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.457 -5.366 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.770 -3.741 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.200 -4.528 6.976 1.00 0.00 H new ATOM 950 N GLU A 60 85.423 -2.075 8.394 1.00 0.00 N ATOM 951 CA GLU A 60 85.338 -1.194 9.555 1.00 0.00 C ATOM 952 C GLU A 60 86.673 -0.488 9.767 1.00 0.00 C ATOM 953 O GLU A 60 87.727 -1.123 9.786 1.00 0.00 O ATOM 954 CB GLU A 60 84.958 -1.986 10.812 1.00 0.00 C ATOM 955 CG GLU A 60 85.721 -3.316 10.848 1.00 0.00 C ATOM 956 CD GLU A 60 86.178 -3.621 12.273 1.00 0.00 C ATOM 957 OE1 GLU A 60 86.923 -2.823 12.820 1.00 0.00 O ATOM 958 OE2 GLU A 60 85.779 -4.648 12.796 1.00 0.00 O ATOM 0 H GLU A 60 85.501 -3.067 8.617 1.00 0.00 H new ATOM 0 HA GLU A 60 84.562 -0.451 9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.188 -1.402 11.703 1.00 0.00 H new ATOM 0 HB3 GLU A 60 83.884 -2.173 10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 60 85.083 -4.120 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 60 86.584 -3.267 10.184 1.00 0.00 H new ATOM 965 N ASP A 61 86.617 0.833 9.896 1.00 0.00 N ATOM 966 CA ASP A 61 87.819 1.641 10.076 1.00 0.00 C ATOM 967 C ASP A 61 88.709 1.114 11.211 1.00 0.00 C ATOM 968 O ASP A 61 89.889 1.455 11.286 1.00 0.00 O ATOM 969 CB ASP A 61 87.423 3.091 10.365 1.00 0.00 C ATOM 970 CG ASP A 61 87.132 3.276 11.854 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.031 2.950 12.266 1.00 0.00 O ATOM 972 OD2 ASP A 61 88.014 3.737 12.558 1.00 0.00 O ATOM 0 H ASP A 61 85.749 1.369 9.879 1.00 0.00 H new ATOM 0 HA ASP A 61 88.396 1.583 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 61 88.225 3.762 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 61 86.543 3.358 9.780 1.00 0.00 H new ATOM 977 N GLY A 62 88.135 0.302 12.096 1.00 0.00 N ATOM 978 CA GLY A 62 88.891 -0.237 13.228 1.00 0.00 C ATOM 979 C GLY A 62 89.658 -1.510 12.865 1.00 0.00 C ATOM 980 O GLY A 62 90.390 -2.052 13.694 1.00 0.00 O ATOM 0 H GLY A 62 87.160 0.004 12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.593 0.517 13.585 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.207 -0.450 14.050 1.00 0.00 H new ATOM 984 N ARG A 63 89.487 -1.990 11.635 1.00 0.00 N ATOM 985 CA ARG A 63 90.173 -3.210 11.201 1.00 0.00 C ATOM 986 C ARG A 63 91.585 -2.900 10.709 1.00 0.00 C ATOM 987 O ARG A 63 91.958 -1.739 10.542 1.00 0.00 O ATOM 988 CB ARG A 63 89.381 -3.892 10.080 1.00 0.00 C ATOM 989 CG ARG A 63 88.830 -5.232 10.579 1.00 0.00 C ATOM 990 CD ARG A 63 88.373 -6.075 9.388 1.00 0.00 C ATOM 991 NE ARG A 63 87.650 -7.256 9.851 1.00 0.00 N ATOM 992 CZ ARG A 63 87.000 -8.042 8.999 1.00 0.00 C ATOM 993 NH1 ARG A 63 85.900 -7.623 8.435 1.00 0.00 N ATOM 994 NH2 ARG A 63 87.462 -9.231 8.724 1.00 0.00 N ATOM 0 H ARG A 63 88.889 -1.562 10.928 1.00 0.00 H new ATOM 0 HA ARG A 63 90.241 -3.879 12.059 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.562 -3.249 9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 63 90.023 -4.052 9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 63 89.597 -5.765 11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 63 87.995 -5.063 11.259 1.00 0.00 H new ATOM 0 HD2 ARG A 63 87.732 -5.480 8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 63 89.236 -6.378 8.795 1.00 0.00 H new ATOM 0 HE ARG A 63 87.644 -7.482 10.846 1.00 0.00 H new ATOM 0 HH11 ARG A 63 85.540 -6.693 8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.401 -8.226 7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 63 88.323 -9.558 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.962 -9.834 8.070 1.00 0.00 H new ATOM 1008 N THR A 64 92.366 -3.958 10.487 1.00 0.00 N ATOM 1009 CA THR A 64 93.741 -3.806 10.019 1.00 0.00 C ATOM 1010 C THR A 64 93.928 -4.467 8.657 1.00 0.00 C ATOM 1011 O THR A 64 92.997 -5.052 8.102 1.00 0.00 O ATOM 1012 CB THR A 64 94.712 -4.435 11.025 1.00 0.00 C ATOM 1013 OG1 THR A 64 94.466 -5.831 11.111 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.520 -3.794 12.400 1.00 0.00 C ATOM 0 H THR A 64 92.070 -4.925 10.623 1.00 0.00 H new ATOM 0 HA THR A 64 93.950 -2.740 9.925 1.00 0.00 H new ATOM 0 HB THR A 64 95.736 -4.266 10.692 1.00 0.00 H new ATOM 0 HG1 THR A 64 93.546 -6.019 10.829 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.212 -4.244 13.111 1.00 0.00 H new ATOM 0 HG22 THR A 64 94.714 -2.724 12.333 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.496 -3.956 12.737 1.00 0.00 H new ATOM 1022 N LEU A 65 95.145 -4.365 8.130 1.00 0.00 N ATOM 1023 CA LEU A 65 95.473 -4.950 6.836 1.00 0.00 C ATOM 1024 C LEU A 65 95.737 -6.447 6.992 1.00 0.00 C ATOM 1025 O LEU A 65 95.365 -7.252 6.136 1.00 0.00 O ATOM 1026 CB LEU A 65 96.716 -4.248 6.259 1.00 0.00 C ATOM 1027 CG LEU A 65 96.304 -3.092 5.332 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.510 -2.642 4.504 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.188 -3.539 4.379 1.00 0.00 C ATOM 0 H LEU A 65 95.921 -3.881 8.581 1.00 0.00 H new ATOM 0 HA LEU A 65 94.635 -4.814 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.335 -3.867 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.322 -4.966 5.706 1.00 0.00 H new ATOM 0 HG LEU A 65 95.943 -2.268 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.216 -1.823 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.304 -2.306 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 65 97.870 -3.477 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.909 -2.709 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.541 -4.372 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.320 -3.855 4.958 1.00 0.00 H new ATOM 1041 N SER A 66 96.386 -6.802 8.097 1.00 0.00 N ATOM 1042 CA SER A 66 96.715 -8.195 8.393 1.00 0.00 C ATOM 1043 C SER A 66 95.452 -9.030 8.610 1.00 0.00 C ATOM 1044 O SER A 66 95.521 -10.257 8.695 1.00 0.00 O ATOM 1045 CB SER A 66 97.603 -8.265 9.637 1.00 0.00 C ATOM 1046 OG SER A 66 97.965 -9.618 9.884 1.00 0.00 O ATOM 0 H SER A 66 96.697 -6.140 8.808 1.00 0.00 H new ATOM 0 HA SER A 66 97.250 -8.606 7.537 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.497 -7.658 9.494 1.00 0.00 H new ATOM 0 HB3 SER A 66 97.075 -7.855 10.498 1.00 0.00 H new ATOM 0 HG SER A 66 97.228 -10.207 9.619 1.00 0.00 H new ATOM 1052 N ASP A 67 94.300 -8.361 8.689 1.00 0.00 N ATOM 1053 CA ASP A 67 93.027 -9.058 8.882 1.00 0.00 C ATOM 1054 C ASP A 67 92.855 -10.146 7.823 1.00 0.00 C ATOM 1055 O ASP A 67 92.189 -11.155 8.054 1.00 0.00 O ATOM 1056 CB ASP A 67 91.862 -8.068 8.786 1.00 0.00 C ATOM 1057 CG ASP A 67 91.391 -7.671 10.182 1.00 0.00 C ATOM 1058 OD1 ASP A 67 91.955 -6.740 10.734 1.00 0.00 O ATOM 1059 OD2 ASP A 67 90.472 -8.302 10.678 1.00 0.00 O ATOM 0 H ASP A 67 94.222 -7.346 8.623 1.00 0.00 H new ATOM 0 HA ASP A 67 93.031 -9.515 9.871 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.173 -7.181 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 67 91.039 -8.517 8.230 1.00 0.00 H new ATOM 1064 N TYR A 68 93.473 -9.922 6.665 1.00 0.00 N ATOM 1065 CA TYR A 68 93.407 -10.875 5.560 1.00 0.00 C ATOM 1066 C TYR A 68 94.813 -11.251 5.099 1.00 0.00 C ATOM 1067 O TYR A 68 94.980 -12.078 4.203 1.00 0.00 O ATOM 1068 CB TYR A 68 92.629 -10.271 4.387 1.00 0.00 C ATOM 1069 CG TYR A 68 91.420 -9.527 4.906 1.00 0.00 C ATOM 1070 CD1 TYR A 68 90.285 -10.236 5.319 1.00 0.00 C ATOM 1071 CD2 TYR A 68 91.436 -8.129 4.978 1.00 0.00 C ATOM 1072 CE1 TYR A 68 89.166 -9.546 5.801 1.00 0.00 C ATOM 1073 CE2 TYR A 68 90.318 -7.440 5.459 1.00 0.00 C ATOM 1074 CZ TYR A 68 89.182 -8.148 5.871 1.00 0.00 C ATOM 1075 OH TYR A 68 88.079 -7.470 6.345 1.00 0.00 O ATOM 0 H TYR A 68 94.026 -9.088 6.468 1.00 0.00 H new ATOM 0 HA TYR A 68 92.894 -11.771 5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 68 93.270 -9.594 3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.317 -11.059 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 68 90.273 -11.315 5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 68 92.312 -7.582 4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.290 -10.092 6.119 1.00 0.00 H new ATOM 0 HE2 TYR A 68 90.331 -6.361 5.513 1.00 0.00 H new ATOM 0 HH TYR A 68 87.268 -7.981 6.140 1.00 0.00 H new ATOM 1085 N ASN A 69 95.816 -10.613 5.707 1.00 0.00 N ATOM 1086 CA ASN A 69 97.213 -10.856 5.352 1.00 0.00 C ATOM 1087 C ASN A 69 97.547 -10.126 4.053 1.00 0.00 C ATOM 1088 O ASN A 69 98.277 -10.634 3.200 1.00 0.00 O ATOM 1089 CB ASN A 69 97.487 -12.359 5.205 1.00 0.00 C ATOM 1090 CG ASN A 69 98.904 -12.676 5.672 1.00 0.00 C ATOM 1091 OD1 ASN A 69 99.109 -13.042 6.829 1.00 0.00 O ATOM 1092 ND2 ASN A 69 99.901 -12.554 4.838 1.00 0.00 N ATOM 0 H ASN A 69 95.685 -9.924 6.448 1.00 0.00 H new ATOM 0 HA ASN A 69 97.848 -10.475 6.152 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.766 -12.928 5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 69 97.361 -12.661 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 69 100.851 -12.762 5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.730 -12.251 3.879 1.00 0.00 H new ATOM 1099 N ILE A 70 96.996 -8.923 3.923 1.00 0.00 N ATOM 1100 CA ILE A 70 97.218 -8.099 2.740 1.00 0.00 C ATOM 1101 C ILE A 70 98.679 -7.662 2.661 1.00 0.00 C ATOM 1102 O ILE A 70 99.165 -6.928 3.522 1.00 0.00 O ATOM 1103 CB ILE A 70 96.300 -6.869 2.791 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.913 -7.247 2.255 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.886 -5.738 1.935 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.859 -6.307 2.843 1.00 0.00 C ATOM 0 H ILE A 70 96.391 -8.496 4.625 1.00 0.00 H new ATOM 0 HA ILE A 70 96.986 -8.685 1.851 1.00 0.00 H new ATOM 0 HB ILE A 70 96.217 -6.528 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.904 -7.184 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.680 -8.279 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.227 -4.871 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.870 -5.466 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.977 -6.073 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.875 -6.578 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.862 -6.392 3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 70 94.088 -5.280 2.559 1.00 0.00 H new ATOM 1118 N GLN A 71 99.371 -8.121 1.620 1.00 0.00 N ATOM 1119 CA GLN A 71 100.778 -7.779 1.427 1.00 0.00 C ATOM 1120 C GLN A 71 100.908 -6.431 0.715 1.00 0.00 C ATOM 1121 O GLN A 71 100.213 -5.474 1.058 1.00 0.00 O ATOM 1122 CB GLN A 71 101.470 -8.874 0.609 1.00 0.00 C ATOM 1123 CG GLN A 71 101.273 -10.231 1.291 1.00 0.00 C ATOM 1124 CD GLN A 71 101.642 -11.356 0.330 1.00 0.00 C ATOM 1125 OE1 GLN A 71 100.783 -12.147 -0.061 1.00 0.00 O ATOM 1126 NE2 GLN A 71 102.875 -11.475 -0.079 1.00 0.00 N ATOM 0 H GLN A 71 98.981 -8.729 0.899 1.00 0.00 H new ATOM 0 HA GLN A 71 101.258 -7.703 2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 71 101.060 -8.901 -0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 71 102.534 -8.654 0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 71 101.891 -10.290 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 71 100.237 -10.340 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 71 103.586 -10.819 0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 71 103.129 -12.224 -0.723 1.00 0.00 H new ATOM 1135 N ARG A 72 101.793 -6.365 -0.279 1.00 0.00 N ATOM 1136 CA ARG A 72 101.999 -5.132 -1.036 1.00 0.00 C ATOM 1137 C ARG A 72 101.276 -5.209 -2.376 1.00 0.00 C ATOM 1138 O ARG A 72 100.683 -4.230 -2.827 1.00 0.00 O ATOM 1139 CB ARG A 72 103.496 -4.886 -1.266 1.00 0.00 C ATOM 1140 CG ARG A 72 104.221 -6.220 -1.487 1.00 0.00 C ATOM 1141 CD ARG A 72 105.689 -5.955 -1.837 1.00 0.00 C ATOM 1142 NE ARG A 72 105.926 -6.218 -3.253 1.00 0.00 N ATOM 1143 CZ ARG A 72 107.082 -6.717 -3.677 1.00 0.00 C ATOM 1144 NH1 ARG A 72 108.114 -5.935 -3.834 1.00 0.00 N ATOM 1145 NH2 ARG A 72 107.185 -7.993 -3.934 1.00 0.00 N ATOM 0 H ARG A 72 102.376 -7.147 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 72 101.592 -4.302 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.637 -4.238 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.924 -4.368 -0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.156 -6.834 -0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.740 -6.778 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.945 -4.921 -1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 72 106.335 -6.588 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 72 105.190 -6.015 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 72 108.034 -4.939 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 72 109.001 -6.320 -4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 72 106.379 -8.605 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 72 108.072 -8.378 -4.260 1.00 0.00 H new ATOM 1159 N GLU A 73 101.325 -6.381 -3.003 1.00 0.00 N ATOM 1160 CA GLU A 73 100.666 -6.584 -4.290 1.00 0.00 C ATOM 1161 C GLU A 73 99.192 -6.930 -4.080 1.00 0.00 C ATOM 1162 O GLU A 73 98.660 -7.849 -4.705 1.00 0.00 O ATOM 1163 CB GLU A 73 101.363 -7.711 -5.062 1.00 0.00 C ATOM 1164 CG GLU A 73 101.467 -8.960 -4.179 1.00 0.00 C ATOM 1165 CD GLU A 73 101.501 -10.216 -5.046 1.00 0.00 C ATOM 1166 OE1 GLU A 73 100.491 -10.511 -5.667 1.00 0.00 O ATOM 1167 OE2 GLU A 73 102.534 -10.864 -5.078 1.00 0.00 O ATOM 0 H GLU A 73 101.812 -7.202 -2.643 1.00 0.00 H new ATOM 0 HA GLU A 73 100.732 -5.662 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.805 -7.942 -5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 73 102.357 -7.390 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.367 -8.907 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 73 100.619 -9.003 -3.496 1.00 0.00 H new ATOM 1174 N SER A 74 98.544 -6.185 -3.188 1.00 0.00 N ATOM 1175 CA SER A 74 97.135 -6.410 -2.882 1.00 0.00 C ATOM 1176 C SER A 74 96.254 -5.369 -3.566 1.00 0.00 C ATOM 1177 O SER A 74 96.597 -4.186 -3.614 1.00 0.00 O ATOM 1178 CB SER A 74 96.922 -6.339 -1.370 1.00 0.00 C ATOM 1179 OG SER A 74 97.234 -5.028 -0.916 1.00 0.00 O ATOM 0 H SER A 74 98.972 -5.421 -2.665 1.00 0.00 H new ATOM 0 HA SER A 74 96.857 -7.397 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 74 95.889 -6.586 -1.124 1.00 0.00 H new ATOM 0 HB3 SER A 74 97.553 -7.071 -0.867 1.00 0.00 H new ATOM 0 HG SER A 74 97.089 -4.387 -1.643 1.00 0.00 H new ATOM 1185 N THR A 75 95.111 -5.819 -4.078 1.00 0.00 N ATOM 1186 CA THR A 75 94.170 -4.926 -4.746 1.00 0.00 C ATOM 1187 C THR A 75 93.014 -4.592 -3.805 1.00 0.00 C ATOM 1188 O THR A 75 92.060 -5.360 -3.676 1.00 0.00 O ATOM 1189 CB THR A 75 93.638 -5.583 -6.025 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.730 -6.079 -6.788 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.864 -4.555 -6.851 1.00 0.00 C ATOM 0 H THR A 75 94.815 -6.795 -4.043 1.00 0.00 H new ATOM 0 HA THR A 75 94.685 -4.004 -5.015 1.00 0.00 H new ATOM 0 HB THR A 75 92.973 -6.405 -5.760 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.393 -6.501 -7.606 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.488 -5.026 -7.759 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.027 -4.174 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.525 -3.730 -7.118 1.00 0.00 H new ATOM 1199 N LEU A 76 93.118 -3.442 -3.146 1.00 0.00 N ATOM 1200 CA LEU A 76 92.090 -3.002 -2.207 1.00 0.00 C ATOM 1201 C LEU A 76 90.929 -2.341 -2.945 1.00 0.00 C ATOM 1202 O LEU A 76 91.090 -1.847 -4.061 1.00 0.00 O ATOM 1203 CB LEU A 76 92.695 -2.004 -1.210 1.00 0.00 C ATOM 1204 CG LEU A 76 92.988 -2.704 0.121 1.00 0.00 C ATOM 1205 CD1 LEU A 76 94.238 -3.579 -0.021 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.224 -1.653 1.210 1.00 0.00 C ATOM 0 H LEU A 76 93.903 -2.798 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 76 91.713 -3.875 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.613 -1.582 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.006 -1.175 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 76 92.138 -3.329 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 76 94.444 -4.076 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 76 94.071 -4.329 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 76 95.089 -2.956 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.432 -2.151 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.073 -1.028 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.335 -1.032 1.315 1.00 0.00 H new ATOM 1218 N HIS A 77 89.763 -2.332 -2.303 1.00 0.00 N ATOM 1219 CA HIS A 77 88.572 -1.721 -2.886 1.00 0.00 C ATOM 1220 C HIS A 77 88.113 -0.559 -2.010 1.00 0.00 C ATOM 1221 O HIS A 77 87.623 -0.764 -0.897 1.00 0.00 O ATOM 1222 CB HIS A 77 87.450 -2.759 -3.007 1.00 0.00 C ATOM 1223 CG HIS A 77 87.548 -3.452 -4.338 1.00 0.00 C ATOM 1224 ND1 HIS A 77 87.507 -2.756 -5.537 1.00 0.00 N ATOM 1225 CD2 HIS A 77 87.686 -4.775 -4.677 1.00 0.00 C ATOM 1226 CE1 HIS A 77 87.618 -3.655 -6.531 1.00 0.00 C ATOM 1227 NE2 HIS A 77 87.730 -4.902 -6.062 1.00 0.00 N ATOM 0 H HIS A 77 89.618 -2.741 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 77 88.813 -1.349 -3.882 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.526 -3.487 -2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.479 -2.274 -2.909 1.00 0.00 H new ATOM 0 HD1 HIS A 77 87.410 -1.746 -5.645 1.00 0.00 H new ATOM 0 HD2 HIS A 77 87.751 -5.593 -3.975 1.00 0.00 H new ATOM 0 HE1 HIS A 77 87.617 -3.401 -7.581 1.00 0.00 H new ATOM 1235 N LEU A 78 88.285 0.663 -2.514 1.00 0.00 N ATOM 1236 CA LEU A 78 87.900 1.854 -1.763 1.00 0.00 C ATOM 1237 C LEU A 78 86.656 2.501 -2.364 1.00 0.00 C ATOM 1238 O LEU A 78 86.517 2.589 -3.582 1.00 0.00 O ATOM 1239 CB LEU A 78 89.057 2.859 -1.766 1.00 0.00 C ATOM 1240 CG LEU A 78 88.729 4.036 -0.839 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.945 4.362 0.033 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.361 5.264 -1.676 1.00 0.00 C ATOM 0 H LEU A 78 88.686 0.852 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 78 87.671 1.557 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.975 2.371 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.233 3.221 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 78 87.888 3.765 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.708 5.199 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.206 3.491 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.788 4.629 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.128 6.099 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.201 5.532 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.492 5.037 -2.293 1.00 0.00 H new ATOM 1254 N VAL A 79 85.758 2.954 -1.496 1.00 0.00 N ATOM 1255 CA VAL A 79 84.526 3.598 -1.937 1.00 0.00 C ATOM 1256 C VAL A 79 84.597 5.105 -1.681 1.00 0.00 C ATOM 1257 O VAL A 79 84.868 5.542 -0.561 1.00 0.00 O ATOM 1258 CB VAL A 79 83.333 2.979 -1.193 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.226 4.018 -1.011 1.00 0.00 C ATOM 1260 CG2 VAL A 79 82.789 1.798 -2.004 1.00 0.00 C ATOM 0 H VAL A 79 85.860 2.887 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 79 84.397 3.441 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 79 83.664 2.637 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.386 3.566 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 79 82.608 4.860 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 79 81.893 4.370 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 79 81.942 1.356 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 79 82.466 2.148 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.572 1.049 -2.126 1.00 0.00 H new ATOM 1270 N LEU A 80 84.358 5.891 -2.731 1.00 0.00 N ATOM 1271 CA LEU A 80 84.400 7.348 -2.620 1.00 0.00 C ATOM 1272 C LEU A 80 82.994 7.915 -2.443 1.00 0.00 C ATOM 1273 O LEU A 80 82.233 8.025 -3.405 1.00 0.00 O ATOM 1274 CB LEU A 80 85.040 7.953 -3.876 1.00 0.00 C ATOM 1275 CG LEU A 80 86.561 7.759 -3.837 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.189 8.380 -5.089 1.00 0.00 C ATOM 1277 CD2 LEU A 80 87.139 8.442 -2.593 1.00 0.00 C ATOM 0 H LEU A 80 84.134 5.545 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 80 84.998 7.607 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.628 7.480 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.802 9.015 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 80 86.784 6.693 -3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.270 8.242 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.784 7.895 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.960 9.445 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.220 8.301 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.912 9.508 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.697 8.003 -1.699 1.00 0.00 H new ATOM 1289 N ARG A 81 82.659 8.278 -1.206 1.00 0.00 N ATOM 1290 CA ARG A 81 81.342 8.838 -0.911 1.00 0.00 C ATOM 1291 C ARG A 81 81.183 10.203 -1.577 1.00 0.00 C ATOM 1292 O ARG A 81 82.140 10.972 -1.675 1.00 0.00 O ATOM 1293 CB ARG A 81 81.156 8.954 0.613 1.00 0.00 C ATOM 1294 CG ARG A 81 81.267 10.415 1.065 1.00 0.00 C ATOM 1295 CD ARG A 81 81.135 10.492 2.588 1.00 0.00 C ATOM 1296 NE ARG A 81 80.927 11.873 3.007 1.00 0.00 N ATOM 1297 CZ ARG A 81 79.717 12.424 2.984 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.206 12.831 1.854 1.00 0.00 N ATOM 1299 NH2 ARG A 81 79.038 12.554 4.091 1.00 0.00 N ATOM 0 H ARG A 81 83.276 8.195 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 81 80.575 8.174 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 81 80.183 8.554 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 81 81.909 8.353 1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 81 82.224 10.832 0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 81 80.488 11.013 0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 81 80.300 9.874 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 81 82.034 10.093 3.059 1.00 0.00 H new ATOM 0 HE ARG A 81 81.724 12.426 3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 81 79.735 12.726 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 81 78.278 13.254 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 81 79.436 12.233 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 81 78.110 12.977 4.073 1.00 0.00 H new ATOM 1313 N LEU A 82 79.967 10.496 -2.033 1.00 0.00 N ATOM 1314 CA LEU A 82 79.698 11.772 -2.687 1.00 0.00 C ATOM 1315 C LEU A 82 79.477 12.866 -1.647 1.00 0.00 C ATOM 1316 O LEU A 82 78.440 12.909 -0.984 1.00 0.00 O ATOM 1317 CB LEU A 82 78.464 11.656 -3.590 1.00 0.00 C ATOM 1318 CG LEU A 82 78.558 12.688 -4.719 1.00 0.00 C ATOM 1319 CD1 LEU A 82 79.334 12.093 -5.897 1.00 0.00 C ATOM 1320 CD2 LEU A 82 77.148 13.070 -5.179 1.00 0.00 C ATOM 0 H LEU A 82 79.161 9.874 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 82 80.562 12.035 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 82 78.398 10.651 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 82 77.557 11.820 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 82 79.077 13.575 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 82 79.399 12.829 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 82 80.338 11.821 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 82 78.818 11.205 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 82 77.214 13.804 -5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 82 76.630 12.182 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 82 76.595 13.496 -4.342 1.00 0.00 H new ATOM 1332 N ARG A 83 80.466 13.746 -1.511 1.00 0.00 N ATOM 1333 CA ARG A 83 80.387 14.843 -0.551 1.00 0.00 C ATOM 1334 C ARG A 83 79.222 15.770 -0.885 1.00 0.00 C ATOM 1335 O ARG A 83 78.657 16.415 -0.001 1.00 0.00 O ATOM 1336 CB ARG A 83 81.697 15.633 -0.556 1.00 0.00 C ATOM 1337 CG ARG A 83 81.931 16.249 -1.941 1.00 0.00 C ATOM 1338 CD ARG A 83 83.407 16.110 -2.326 1.00 0.00 C ATOM 1339 NE ARG A 83 84.262 16.629 -1.262 1.00 0.00 N ATOM 1340 CZ ARG A 83 84.320 17.931 -0.997 1.00 0.00 C ATOM 1341 NH1 ARG A 83 85.129 18.699 -1.673 1.00 0.00 N ATOM 1342 NH2 ARG A 83 83.568 18.440 -0.060 1.00 0.00 N ATOM 0 H ARG A 83 81.330 13.721 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 83 80.221 14.423 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 83 81.661 16.418 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 83 82.528 14.978 -0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 83 81.304 15.752 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 83 81.644 17.301 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 83 83.644 15.062 -2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 83 83.600 16.651 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 83 84.825 15.981 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 83 85.717 18.301 -2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 83 85.173 19.698 -1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 83 82.936 17.839 0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 83 83.612 19.439 0.143 1.00 0.00 H new ATOM 1356 N GLY A 84 78.868 15.827 -2.166 1.00 0.00 N ATOM 1357 CA GLY A 84 77.769 16.674 -2.613 1.00 0.00 C ATOM 1358 C GLY A 84 76.439 15.936 -2.502 1.00 0.00 C ATOM 1359 O GLY A 84 76.353 14.888 -1.861 1.00 0.00 O ATOM 0 H GLY A 84 79.325 15.299 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 84 77.737 17.583 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 84 77.936 16.979 -3.646 1.00 0.00 H new ATOM 1363 N GLY A 85 75.407 16.489 -3.133 1.00 0.00 N ATOM 1364 CA GLY A 85 74.083 15.875 -3.103 1.00 0.00 C ATOM 1365 C GLY A 85 74.098 14.518 -3.798 1.00 0.00 C ATOM 1366 O GLY A 85 74.307 13.485 -3.160 1.00 0.00 O ATOM 0 H GLY A 85 75.461 17.356 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 85 73.756 15.756 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 85 73.362 16.531 -3.592 1.00 0.00 H new ATOM 1370 N SER A 86 73.880 14.530 -5.110 1.00 0.00 N ATOM 1371 CA SER A 86 73.872 13.298 -5.893 1.00 0.00 C ATOM 1372 C SER A 86 74.374 13.566 -7.309 1.00 0.00 C ATOM 1373 O SER A 86 73.861 14.445 -8.001 1.00 0.00 O ATOM 1374 CB SER A 86 72.457 12.720 -5.948 1.00 0.00 C ATOM 1375 OG SER A 86 72.481 11.483 -6.646 1.00 0.00 O ATOM 0 H SER A 86 73.707 15.377 -5.652 1.00 0.00 H new ATOM 0 HA SER A 86 74.535 12.578 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 86 72.072 12.574 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 86 71.786 13.419 -6.447 1.00 0.00 H new ATOM 0 HG SER A 86 71.576 11.110 -6.681 1.00 0.00 H new ATOM 1381 N MET A 87 75.378 12.803 -7.732 1.00 0.00 N ATOM 1382 CA MET A 87 75.943 12.969 -9.067 1.00 0.00 C ATOM 1383 C MET A 87 75.071 12.272 -10.109 1.00 0.00 C ATOM 1384 O MET A 87 75.162 12.565 -11.302 1.00 0.00 O ATOM 1385 CB MET A 87 77.361 12.388 -9.112 1.00 0.00 C ATOM 1386 CG MET A 87 78.218 13.196 -10.092 1.00 0.00 C ATOM 1387 SD MET A 87 79.495 12.128 -10.803 1.00 0.00 S ATOM 1388 CE MET A 87 80.737 12.344 -9.502 1.00 0.00 C ATOM 0 H MET A 87 75.814 12.069 -7.174 1.00 0.00 H new ATOM 0 HA MET A 87 75.980 14.034 -9.295 1.00 0.00 H new ATOM 0 HB2 MET A 87 77.807 12.413 -8.118 1.00 0.00 H new ATOM 0 HB3 MET A 87 77.327 11.343 -9.420 1.00 0.00 H new ATOM 0 HG2 MET A 87 77.592 13.609 -10.883 1.00 0.00 H new ATOM 0 HG3 MET A 87 78.679 14.039 -9.578 1.00 0.00 H new ATOM 0 HE1 MET A 87 81.673 11.878 -9.811 1.00 0.00 H new ATOM 0 HE2 MET A 87 80.901 13.408 -9.329 1.00 0.00 H new ATOM 0 HE3 MET A 87 80.385 11.877 -8.582 1.00 0.00 H new ATOM 1398 N GLY A 88 74.231 11.347 -9.649 1.00 0.00 N ATOM 1399 CA GLY A 88 73.348 10.608 -10.547 1.00 0.00 C ATOM 1400 C GLY A 88 74.112 9.526 -11.304 1.00 0.00 C ATOM 1401 O GLY A 88 73.511 8.671 -11.955 1.00 0.00 O ATOM 0 H GLY A 88 74.144 11.093 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 88 72.540 10.153 -9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 88 72.888 11.296 -11.256 1.00 0.00 H new ATOM 1405 N GLY A 89 75.441 9.572 -11.216 1.00 0.00 N ATOM 1406 CA GLY A 89 76.280 8.593 -11.899 1.00 0.00 C ATOM 1407 C GLY A 89 76.323 7.278 -11.129 1.00 0.00 C ATOM 1408 O GLY A 89 75.300 6.806 -10.631 1.00 0.00 O ATOM 0 H GLY A 89 75.955 10.272 -10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 89 75.896 8.418 -12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 89 77.290 8.988 -12.008 1.00 0.00 H new ATOM 1412 N ALA A 90 77.514 6.692 -11.037 1.00 0.00 N ATOM 1413 CA ALA A 90 77.682 5.429 -10.327 1.00 0.00 C ATOM 1414 C ALA A 90 77.624 5.650 -8.817 1.00 0.00 C ATOM 1415 O ALA A 90 76.655 5.267 -8.162 1.00 0.00 O ATOM 1416 CB ALA A 90 79.023 4.791 -10.705 1.00 0.00 C ATOM 0 H ALA A 90 78.371 7.069 -11.442 1.00 0.00 H new ATOM 0 HA ALA A 90 76.870 4.761 -10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 90 79.141 3.848 -10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 90 79.048 4.605 -11.779 1.00 0.00 H new ATOM 0 HB3 ALA A 90 79.836 5.465 -10.435 1.00 0.00 H new ATOM 1422 N ALA A 91 78.667 6.272 -8.273 1.00 0.00 N ATOM 1423 CA ALA A 91 78.726 6.542 -6.840 1.00 0.00 C ATOM 1424 C ALA A 91 77.991 7.838 -6.513 1.00 0.00 C ATOM 1425 O ALA A 91 78.262 8.881 -7.108 1.00 0.00 O ATOM 1426 CB ALA A 91 80.185 6.648 -6.388 1.00 0.00 C ATOM 0 H ALA A 91 79.478 6.597 -8.800 1.00 0.00 H new ATOM 0 HA ALA A 91 78.244 5.720 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.220 6.850 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.700 5.711 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.675 7.459 -6.926 1.00 0.00 H new ATOM 1432 N ASP A 92 77.055 7.761 -5.568 1.00 0.00 N ATOM 1433 CA ASP A 92 76.278 8.935 -5.173 1.00 0.00 C ATOM 1434 C ASP A 92 76.016 8.926 -3.667 1.00 0.00 C ATOM 1435 O ASP A 92 74.959 9.363 -3.209 1.00 0.00 O ATOM 1436 CB ASP A 92 74.948 8.958 -5.931 1.00 0.00 C ATOM 1437 CG ASP A 92 75.190 8.720 -7.420 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.658 9.634 -8.077 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.908 7.625 -7.878 1.00 0.00 O ATOM 0 H ASP A 92 76.818 6.906 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 92 76.851 9.829 -5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.282 8.191 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 92 74.453 9.918 -5.784 1.00 0.00 H new ATOM 1444 N GLU A 93 76.988 8.428 -2.905 1.00 0.00 N ATOM 1445 CA GLU A 93 76.864 8.364 -1.450 1.00 0.00 C ATOM 1446 C GLU A 93 75.650 7.524 -1.048 1.00 0.00 C ATOM 1447 O GLU A 93 74.665 8.048 -0.529 1.00 0.00 O ATOM 1448 CB GLU A 93 76.739 9.781 -0.870 1.00 0.00 C ATOM 1449 CG GLU A 93 77.412 9.843 0.504 1.00 0.00 C ATOM 1450 CD GLU A 93 76.749 8.855 1.462 1.00 0.00 C ATOM 1451 OE1 GLU A 93 75.685 9.175 1.969 1.00 0.00 O ATOM 1452 OE2 GLU A 93 77.310 7.793 1.670 1.00 0.00 O ATOM 0 H GLU A 93 77.868 8.064 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 93 77.760 7.891 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 93 77.202 10.501 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.688 10.056 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 93 78.473 9.611 0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.341 10.854 0.906 1.00 0.00 H new ATOM 1459 N GLU A 94 75.748 6.215 -1.291 1.00 0.00 N ATOM 1460 CA GLU A 94 74.681 5.263 -0.963 1.00 0.00 C ATOM 1461 C GLU A 94 74.819 4.021 -1.842 1.00 0.00 C ATOM 1462 O GLU A 94 75.382 3.007 -1.426 1.00 0.00 O ATOM 1463 CB GLU A 94 73.291 5.892 -1.174 1.00 0.00 C ATOM 1464 CG GLU A 94 72.209 4.807 -1.119 1.00 0.00 C ATOM 1465 CD GLU A 94 70.828 5.452 -1.035 1.00 0.00 C ATOM 1466 OE1 GLU A 94 70.392 5.731 0.071 1.00 0.00 O ATOM 1467 OE2 GLU A 94 70.227 5.657 -2.077 1.00 0.00 O ATOM 0 H GLU A 94 76.567 5.784 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 94 74.776 4.989 0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.103 6.644 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.256 6.403 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.271 4.175 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 94 72.372 4.163 -0.255 1.00 0.00 H new ATOM 1474 N GLU A 95 74.297 4.118 -3.062 1.00 0.00 N ATOM 1475 CA GLU A 95 74.349 3.014 -4.016 1.00 0.00 C ATOM 1476 C GLU A 95 75.791 2.670 -4.388 1.00 0.00 C ATOM 1477 O GLU A 95 76.044 1.655 -5.030 1.00 0.00 O ATOM 1478 CB GLU A 95 73.574 3.389 -5.284 1.00 0.00 C ATOM 1479 CG GLU A 95 74.102 4.716 -5.840 1.00 0.00 C ATOM 1480 CD GLU A 95 73.566 4.943 -7.251 1.00 0.00 C ATOM 1481 OE1 GLU A 95 74.071 4.311 -8.165 1.00 0.00 O ATOM 1482 OE2 GLU A 95 72.659 5.746 -7.397 1.00 0.00 O ATOM 0 H GLU A 95 73.831 4.954 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 95 73.896 2.141 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 95 73.679 2.603 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.511 3.475 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 95 73.799 5.538 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.192 4.706 -5.854 1.00 0.00 H new ATOM 1489 N LEU A 96 76.726 3.523 -3.982 1.00 0.00 N ATOM 1490 CA LEU A 96 78.141 3.308 -4.283 1.00 0.00 C ATOM 1491 C LEU A 96 78.719 2.135 -3.487 1.00 0.00 C ATOM 1492 O LEU A 96 79.829 1.680 -3.763 1.00 0.00 O ATOM 1493 CB LEU A 96 78.933 4.593 -3.994 1.00 0.00 C ATOM 1494 CG LEU A 96 79.456 4.614 -2.551 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.135 5.959 -2.287 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.302 4.435 -1.557 1.00 0.00 C ATOM 0 H LEU A 96 76.532 4.368 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 96 78.227 3.057 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 96 79.770 4.670 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.296 5.461 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 96 80.165 3.796 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 96 80.510 5.983 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 96 80.966 6.090 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.414 6.764 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 96 78.692 4.453 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.583 5.245 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.809 3.480 -1.740 1.00 0.00 H new ATOM 1508 N ILE A 97 77.962 1.648 -2.505 1.00 0.00 N ATOM 1509 CA ILE A 97 78.417 0.527 -1.685 1.00 0.00 C ATOM 1510 C ILE A 97 77.871 -0.788 -2.234 1.00 0.00 C ATOM 1511 O ILE A 97 78.629 -1.724 -2.495 1.00 0.00 O ATOM 1512 CB ILE A 97 77.968 0.722 -0.225 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.039 1.515 0.536 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.772 -0.638 0.456 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.365 2.487 1.508 1.00 0.00 C ATOM 0 H ILE A 97 77.040 2.008 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 97 79.506 0.491 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 97 77.024 1.266 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.691 0.833 1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.667 2.064 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.455 -0.486 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.010 -1.206 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.712 -1.190 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.127 3.049 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.731 3.177 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.756 1.928 2.218 1.00 0.00 H new ATOM 1527 N ARG A 98 76.553 -0.853 -2.404 1.00 0.00 N ATOM 1528 CA ARG A 98 75.912 -2.061 -2.916 1.00 0.00 C ATOM 1529 C ARG A 98 76.309 -2.317 -4.366 1.00 0.00 C ATOM 1530 O ARG A 98 76.537 -3.459 -4.762 1.00 0.00 O ATOM 1531 CB ARG A 98 74.391 -1.930 -2.816 1.00 0.00 C ATOM 1532 CG ARG A 98 73.921 -0.713 -3.621 1.00 0.00 C ATOM 1533 CD ARG A 98 72.498 -0.338 -3.202 1.00 0.00 C ATOM 1534 NE ARG A 98 71.946 0.654 -4.120 1.00 0.00 N ATOM 1535 CZ ARG A 98 71.657 0.342 -5.379 1.00 0.00 C ATOM 1536 NH1 ARG A 98 72.562 0.476 -6.309 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.470 -0.102 -5.684 1.00 0.00 N ATOM 0 H ARG A 98 75.911 -0.088 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 98 76.246 -2.904 -2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.913 -2.834 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.094 -1.824 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.594 0.128 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 98 73.950 -0.937 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 98 71.867 -1.227 -3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.503 0.059 -2.187 1.00 0.00 H new ATOM 0 HE ARG A 98 71.779 1.604 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 98 73.492 0.820 -6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 98 72.340 0.236 -7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 98 69.763 -0.210 -4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 98 70.248 -0.342 -6.650 1.00 0.00 H new ATOM 1551 N LYS A 99 76.397 -1.248 -5.155 1.00 0.00 N ATOM 1552 CA LYS A 99 76.773 -1.388 -6.557 1.00 0.00 C ATOM 1553 C LYS A 99 78.206 -1.892 -6.669 1.00 0.00 C ATOM 1554 O LYS A 99 78.543 -2.607 -7.604 1.00 0.00 O ATOM 1555 CB LYS A 99 76.620 -0.049 -7.290 1.00 0.00 C ATOM 1556 CG LYS A 99 77.853 0.830 -7.059 1.00 0.00 C ATOM 1557 CD LYS A 99 77.627 2.202 -7.703 1.00 0.00 C ATOM 1558 CE LYS A 99 77.449 2.038 -9.217 1.00 0.00 C ATOM 1559 NZ LYS A 99 78.574 1.229 -9.767 1.00 0.00 N ATOM 0 H LYS A 99 76.216 -0.291 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 99 76.108 -2.115 -7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.486 -0.225 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 99 75.727 0.466 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.038 0.943 -5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 99 78.737 0.356 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.745 2.676 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.474 2.856 -7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 99 76.498 1.550 -9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 99 77.421 3.016 -9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 78.885 1.637 -10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 79.367 1.234 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 78.256 0.251 -9.920 1.00 0.00 H new ATOM 1573 N ALA A 100 79.034 -1.529 -5.689 1.00 0.00 N ATOM 1574 CA ALA A 100 80.429 -1.960 -5.659 1.00 0.00 C ATOM 1575 C ALA A 100 80.511 -3.400 -5.177 1.00 0.00 C ATOM 1576 O ALA A 100 81.439 -4.131 -5.525 1.00 0.00 O ATOM 1577 CB ALA A 100 81.232 -1.046 -4.728 1.00 0.00 C ATOM 0 H ALA A 100 78.761 -0.937 -4.905 1.00 0.00 H new ATOM 0 HA ALA A 100 80.848 -1.899 -6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.272 -1.371 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.179 -0.020 -5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 100 80.817 -1.097 -3.721 1.00 0.00 H new ATOM 1583 N ILE A 101 79.513 -3.805 -4.399 1.00 0.00 N ATOM 1584 CA ILE A 101 79.456 -5.168 -3.899 1.00 0.00 C ATOM 1585 C ILE A 101 78.949 -6.084 -5.011 1.00 0.00 C ATOM 1586 O ILE A 101 79.287 -7.262 -5.069 1.00 0.00 O ATOM 1587 CB ILE A 101 78.538 -5.242 -2.671 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.238 -4.565 -1.483 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.245 -6.706 -2.325 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.202 -4.126 -0.444 1.00 0.00 C ATOM 0 H ILE A 101 78.738 -3.211 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 101 80.451 -5.492 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 101 77.598 -4.734 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 101 79.950 -5.254 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 101 79.806 -3.702 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.593 -6.750 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 101 77.754 -7.188 -3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.180 -7.222 -2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.708 -3.647 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.507 -3.421 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.653 -4.997 -0.087 1.00 0.00 H new ATOM 1602 N GLU A 102 78.132 -5.526 -5.896 1.00 0.00 N ATOM 1603 CA GLU A 102 77.581 -6.288 -7.012 1.00 0.00 C ATOM 1604 C GLU A 102 78.442 -6.133 -8.271 1.00 0.00 C ATOM 1605 O GLU A 102 78.226 -6.832 -9.262 1.00 0.00 O ATOM 1606 CB GLU A 102 76.154 -5.815 -7.312 1.00 0.00 C ATOM 1607 CG GLU A 102 75.163 -6.541 -6.395 1.00 0.00 C ATOM 1608 CD GLU A 102 74.912 -5.716 -5.135 1.00 0.00 C ATOM 1609 OE1 GLU A 102 74.101 -4.806 -5.198 1.00 0.00 O ATOM 1610 OE2 GLU A 102 75.535 -6.005 -4.128 1.00 0.00 O ATOM 0 H GLU A 102 77.836 -4.550 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 102 77.572 -7.340 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.079 -4.738 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 102 75.908 -6.010 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 102 74.224 -6.709 -6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.556 -7.521 -6.125 1.00 0.00 H new ATOM 1617 N LEU A 103 79.385 -5.187 -8.246 1.00 0.00 N ATOM 1618 CA LEU A 103 80.226 -4.930 -9.421 1.00 0.00 C ATOM 1619 C LEU A 103 81.513 -5.765 -9.441 1.00 0.00 C ATOM 1620 O LEU A 103 81.641 -6.692 -10.242 1.00 0.00 O ATOM 1621 CB LEU A 103 80.598 -3.439 -9.454 1.00 0.00 C ATOM 1622 CG LEU A 103 79.842 -2.717 -10.581 1.00 0.00 C ATOM 1623 CD1 LEU A 103 80.486 -3.051 -11.930 1.00 0.00 C ATOM 1624 CD2 LEU A 103 78.368 -3.149 -10.596 1.00 0.00 C ATOM 0 H LEU A 103 79.584 -4.595 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 103 79.645 -5.217 -10.298 1.00 0.00 H new ATOM 0 HB2 LEU A 103 80.360 -2.978 -8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 103 81.672 -3.330 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 103 79.894 -1.642 -10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 103 79.948 -2.538 -12.727 1.00 0.00 H new ATOM 0 HD12 LEU A 103 81.526 -2.726 -11.927 1.00 0.00 H new ATOM 0 HD13 LEU A 103 80.443 -4.127 -12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 103 77.845 -2.630 -11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 103 78.306 -4.225 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 103 77.906 -2.899 -9.641 1.00 0.00 H new ATOM 1636 N SER A 104 82.476 -5.405 -8.593 1.00 0.00 N ATOM 1637 CA SER A 104 83.766 -6.103 -8.568 1.00 0.00 C ATOM 1638 C SER A 104 83.842 -7.159 -7.470 1.00 0.00 C ATOM 1639 O SER A 104 84.771 -7.968 -7.447 1.00 0.00 O ATOM 1640 CB SER A 104 84.893 -5.088 -8.370 1.00 0.00 C ATOM 1641 OG SER A 104 86.141 -5.715 -8.638 1.00 0.00 O ATOM 0 H SER A 104 82.392 -4.643 -7.920 1.00 0.00 H new ATOM 0 HA SER A 104 83.872 -6.616 -9.524 1.00 0.00 H new ATOM 0 HB2 SER A 104 84.751 -4.235 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 104 84.877 -4.704 -7.350 1.00 0.00 H new ATOM 0 HG SER A 104 86.703 -5.680 -7.836 1.00 0.00 H new ATOM 1647 N LEU A 105 82.878 -7.152 -6.561 1.00 0.00 N ATOM 1648 CA LEU A 105 82.869 -8.117 -5.468 1.00 0.00 C ATOM 1649 C LEU A 105 82.405 -9.487 -5.961 1.00 0.00 C ATOM 1650 O LEU A 105 82.922 -10.519 -5.533 1.00 0.00 O ATOM 1651 CB LEU A 105 81.941 -7.612 -4.363 1.00 0.00 C ATOM 1652 CG LEU A 105 82.572 -7.838 -2.989 1.00 0.00 C ATOM 1653 CD1 LEU A 105 82.931 -9.318 -2.819 1.00 0.00 C ATOM 1654 CD2 LEU A 105 83.834 -6.977 -2.855 1.00 0.00 C ATOM 0 H LEU A 105 82.097 -6.495 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 105 83.881 -8.224 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.739 -6.551 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 105 80.983 -8.129 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 105 81.859 -7.554 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 105 83.380 -9.473 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 105 82.029 -9.923 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 105 83.640 -9.612 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 105 84.283 -7.139 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.547 -7.254 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.570 -5.925 -2.964 1.00 0.00 H new ATOM 1666 N LYS A 106 81.433 -9.487 -6.872 1.00 0.00 N ATOM 1667 CA LYS A 106 80.913 -10.736 -7.426 1.00 0.00 C ATOM 1668 C LYS A 106 81.830 -11.236 -8.530 1.00 0.00 C ATOM 1669 O LYS A 106 82.042 -12.440 -8.685 1.00 0.00 O ATOM 1670 CB LYS A 106 79.507 -10.515 -7.995 1.00 0.00 C ATOM 1671 CG LYS A 106 78.691 -9.645 -7.036 1.00 0.00 C ATOM 1672 CD LYS A 106 78.877 -10.144 -5.601 1.00 0.00 C ATOM 1673 CE LYS A 106 77.657 -9.765 -4.756 1.00 0.00 C ATOM 1674 NZ LYS A 106 76.609 -10.814 -4.901 1.00 0.00 N ATOM 0 H LYS A 106 80.993 -8.644 -7.240 1.00 0.00 H new ATOM 0 HA LYS A 106 80.867 -11.478 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 106 79.571 -10.035 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 106 79.010 -11.474 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 106 79.009 -8.605 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 106 77.636 -9.677 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 106 79.011 -11.226 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 106 79.779 -9.709 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 106 77.943 -9.664 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 106 77.266 -8.799 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 75.780 -10.558 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 76.329 -10.890 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 76.985 -11.728 -4.577 1.00 0.00 H new ATOM 1688 N GLU A 107 82.375 -10.292 -9.287 1.00 0.00 N ATOM 1689 CA GLU A 107 83.282 -10.613 -10.377 1.00 0.00 C ATOM 1690 C GLU A 107 84.455 -11.440 -9.858 1.00 0.00 C ATOM 1691 O GLU A 107 84.874 -12.409 -10.492 1.00 0.00 O ATOM 1692 CB GLU A 107 83.789 -9.312 -11.000 1.00 0.00 C ATOM 1693 CG GLU A 107 84.906 -9.607 -12.008 1.00 0.00 C ATOM 1694 CD GLU A 107 86.264 -9.612 -11.306 1.00 0.00 C ATOM 1695 OE1 GLU A 107 86.605 -8.605 -10.707 1.00 0.00 O ATOM 1696 OE2 GLU A 107 86.943 -10.623 -11.377 1.00 0.00 O ATOM 0 H GLU A 107 82.202 -9.294 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 107 82.756 -11.198 -11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 107 82.968 -8.794 -11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 107 84.160 -8.647 -10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 107 84.731 -10.572 -12.484 1.00 0.00 H new ATOM 0 HG3 GLU A 107 84.900 -8.856 -12.798 1.00 0.00 H new ATOM 1703 N SER A 108 84.971 -11.052 -8.696 1.00 0.00 N ATOM 1704 CA SER A 108 86.089 -11.763 -8.088 1.00 0.00 C ATOM 1705 C SER A 108 85.626 -13.110 -7.540 1.00 0.00 C ATOM 1706 O SER A 108 86.405 -14.061 -7.463 1.00 0.00 O ATOM 1707 CB SER A 108 86.686 -10.923 -6.957 1.00 0.00 C ATOM 1708 OG SER A 108 87.788 -11.617 -6.386 1.00 0.00 O ATOM 0 H SER A 108 84.634 -10.253 -8.159 1.00 0.00 H new ATOM 0 HA SER A 108 86.849 -11.935 -8.850 1.00 0.00 H new ATOM 0 HB2 SER A 108 87.010 -9.955 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 108 85.931 -10.728 -6.196 1.00 0.00 H new ATOM 0 HG SER A 108 88.173 -11.080 -5.662 1.00 0.00 H new ATOM 1714 N ARG A 109 84.351 -13.180 -7.163 1.00 0.00 N ATOM 1715 CA ARG A 109 83.782 -14.413 -6.624 1.00 0.00 C ATOM 1716 C ARG A 109 83.564 -15.439 -7.734 1.00 0.00 C ATOM 1717 O ARG A 109 83.158 -16.572 -7.469 1.00 0.00 O ATOM 1718 CB ARG A 109 82.446 -14.114 -5.934 1.00 0.00 C ATOM 1719 CG ARG A 109 82.683 -13.826 -4.448 1.00 0.00 C ATOM 1720 CD ARG A 109 82.874 -15.142 -3.689 1.00 0.00 C ATOM 1721 NE ARG A 109 82.337 -15.028 -2.338 1.00 0.00 N ATOM 1722 CZ ARG A 109 81.192 -15.614 -1.998 1.00 0.00 C ATOM 1723 NH1 ARG A 109 80.137 -15.476 -2.755 1.00 0.00 N ATOM 1724 NH2 ARG A 109 81.124 -16.329 -0.909 1.00 0.00 N ATOM 0 H ARG A 109 83.695 -12.401 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 109 84.484 -14.825 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.965 -13.258 -6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.770 -14.962 -6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 109 83.563 -13.194 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 109 81.837 -13.277 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 109 82.374 -15.952 -4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 109 83.933 -15.395 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 109 82.849 -14.489 -1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.190 -14.919 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 109 79.259 -15.926 -2.494 1.00 0.00 H new ATOM 0 HH21 ARG A 109 81.948 -16.439 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 109 80.246 -16.778 -0.648 1.00 0.00 H new ATOM 1738 N ASN A 110 83.834 -15.036 -8.975 1.00 0.00 N ATOM 1739 CA ASN A 110 83.663 -15.932 -10.116 1.00 0.00 C ATOM 1740 C ASN A 110 84.432 -17.233 -9.898 1.00 0.00 C ATOM 1741 O ASN A 110 83.940 -18.315 -10.221 1.00 0.00 O ATOM 1742 CB ASN A 110 84.157 -15.249 -11.396 1.00 0.00 C ATOM 1743 CG ASN A 110 83.782 -16.087 -12.615 1.00 0.00 C ATOM 1744 OD1 ASN A 110 82.750 -15.847 -13.240 1.00 0.00 O ATOM 1745 ND2 ASN A 110 84.565 -17.062 -12.991 1.00 0.00 N ATOM 0 H ASN A 110 84.169 -14.103 -9.214 1.00 0.00 H new ATOM 0 HA ASN A 110 82.603 -16.165 -10.216 1.00 0.00 H new ATOM 0 HB2 ASN A 110 83.718 -14.255 -11.480 1.00 0.00 H new ATOM 0 HB3 ASN A 110 85.238 -15.118 -11.354 1.00 0.00 H new ATOM 0 HD21 ASN A 110 84.322 -17.627 -13.805 1.00 0.00 H new ATOM 0 HD22 ASN A 110 85.420 -17.259 -12.471 1.00 0.00 H new ATOM 1752 N SER A 111 85.636 -17.118 -9.342 1.00 0.00 N ATOM 1753 CA SER A 111 86.463 -18.292 -9.078 1.00 0.00 C ATOM 1754 C SER A 111 85.790 -19.196 -8.049 1.00 0.00 C ATOM 1755 O SER A 111 85.906 -20.421 -8.114 1.00 0.00 O ATOM 1756 CB SER A 111 87.836 -17.860 -8.560 1.00 0.00 C ATOM 1757 OG SER A 111 88.707 -18.984 -8.544 1.00 0.00 O ATOM 0 H SER A 111 86.058 -16.231 -9.068 1.00 0.00 H new ATOM 0 HA SER A 111 86.586 -18.845 -10.009 1.00 0.00 H new ATOM 0 HB2 SER A 111 88.247 -17.076 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 111 87.744 -17.442 -7.557 1.00 0.00 H new ATOM 0 HG SER A 111 89.588 -18.710 -8.214 1.00 0.00 H new ATOM 1763 N GLY A 112 85.083 -18.580 -7.103 1.00 0.00 N ATOM 1764 CA GLY A 112 84.388 -19.333 -6.063 1.00 0.00 C ATOM 1765 C GLY A 112 83.265 -20.175 -6.662 1.00 0.00 C ATOM 1766 O GLY A 112 82.913 -21.227 -6.125 1.00 0.00 O ATOM 0 H GLY A 112 84.977 -17.568 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 112 85.095 -19.979 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 112 83.978 -18.646 -5.323 1.00 0.00 H new ATOM 1770 N GLY A 113 82.709 -19.705 -7.778 1.00 0.00 N ATOM 1771 CA GLY A 113 81.627 -20.419 -8.450 1.00 0.00 C ATOM 1772 C GLY A 113 82.068 -21.821 -8.862 1.00 0.00 C ATOM 1773 O GLY A 113 81.242 -22.723 -9.010 1.00 0.00 O ATOM 0 H GLY A 113 82.989 -18.836 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 113 80.764 -20.486 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 113 81.310 -19.860 -9.331 1.00 0.00 H new ATOM 1777 N TYR A 114 83.375 -21.996 -9.046 1.00 0.00 N ATOM 1778 CA TYR A 114 83.920 -23.291 -9.440 1.00 0.00 C ATOM 1779 C TYR A 114 83.627 -24.343 -8.371 1.00 0.00 C ATOM 1780 O TYR A 114 83.128 -25.398 -8.727 1.00 0.00 O ATOM 1781 CB TYR A 114 85.434 -23.179 -9.652 1.00 0.00 C ATOM 1782 CG TYR A 114 85.888 -24.232 -10.639 1.00 0.00 C ATOM 1783 CD1 TYR A 114 85.955 -25.576 -10.249 1.00 0.00 C ATOM 1784 CD2 TYR A 114 86.241 -23.864 -11.943 1.00 0.00 C ATOM 1785 CE1 TYR A 114 86.375 -26.550 -11.163 1.00 0.00 C ATOM 1786 CE2 TYR A 114 86.661 -24.839 -12.857 1.00 0.00 C ATOM 1787 CZ TYR A 114 86.728 -26.181 -12.466 1.00 0.00 C ATOM 1788 OH TYR A 114 87.142 -27.141 -13.367 1.00 0.00 O ATOM 1789 OXT TYR A 114 83.902 -24.076 -7.212 1.00 0.00 O ATOM 0 H TYR A 114 84.072 -21.261 -8.929 1.00 0.00 H new ATOM 0 HA TYR A 114 83.446 -23.596 -10.373 1.00 0.00 H new ATOM 0 HB2 TYR A 114 85.687 -22.186 -10.023 1.00 0.00 H new ATOM 0 HB3 TYR A 114 85.955 -23.307 -8.703 1.00 0.00 H new ATOM 0 HD1 TYR A 114 85.683 -25.861 -9.243 1.00 0.00 H new ATOM 0 HD2 TYR A 114 86.189 -22.828 -12.244 1.00 0.00 H new ATOM 0 HE1 TYR A 114 86.427 -27.586 -10.862 1.00 0.00 H new ATOM 0 HE2 TYR A 114 86.933 -24.555 -13.863 1.00 0.00 H new ATOM 0 HH TYR A 114 87.348 -26.716 -14.226 1.00 0.00 H new TER 1799 TYR A 114