USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 906 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 61 SER OG : rot -130:sc= 0.417 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.66 X(o=-1.2,f=-0.95) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.891 K(o=2.1,f=-5.7!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 128:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -0.113 X(o=-0.9,f=-1.1) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -0.791 K(o=-0.9,f=-2.1) USER MOD Set 4.1: A 10 TYR OH : rot 130:sc= 0.102 USER MOD Set 4.2: A 60 THR OG1 : rot -75:sc= 0.00145 USER MOD Set 5.1: A 3 HIS : no HE2:sc= -0.886 K(o=-0.9,f=-2.4) USER MOD Set 5.2: A 4 MET CE :methyl 162:sc= -0.0111 (180deg=-0.304) USER MOD Set 5.3: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.08 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -125:sc= 0.845 (180deg=-0.524) USER MOD Single : A 23 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 33 THR OG1 : rot 156:sc= 0.137 USER MOD Single : A 36 ASN : amide:sc= -0.0725 K(o=-0.073,f=-0.65) USER MOD Single : A 41 MET CE :methyl 132:sc= 0 (180deg=-0.251) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 45 THR OG1 : rot -10:sc= 1.17 USER MOD Single : A 47 MET CE :methyl -149:sc= -1.93 (180deg=-5.65!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.49) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 53 THR OG1 : rot 160:sc= -0.277 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00465 USER MOD Single : A 68 SER OG : rot 167:sc= 1.07 USER MOD Single : A 75 SER OG : rot 74:sc= 1.23 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0.473 K(o=0.47,f=-0.064) USER MOD Single : A 86 TYR OH : rot -133:sc= 0.587 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 1.17 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.966 K(o=0.97,f=-0.012) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 103 TYR OH : rot 30:sc= -0.706 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -129:sc= -0.739 (180deg=-1.85) USER MOD Single : A 113 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.19) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -161:sc= 0.152 (180deg=0.0642) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.131 -1.428 10.559 1.00 0.00 N ATOM 2 CA GLY A 1 -15.890 -2.664 10.302 1.00 0.00 C ATOM 3 C GLY A 1 -14.952 -3.826 10.035 1.00 0.00 C ATOM 4 O GLY A 1 -13.803 -3.795 10.488 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.514 -0.954 11.402 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.130 -1.662 10.718 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.212 -0.794 9.739 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.524 -2.892 11.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.550 -2.520 9.447 1.00 0.00 H new ATOM 8 N SER A 2 -15.419 -4.852 9.311 1.00 0.00 N ATOM 9 CA SER A 2 -14.596 -6.020 9.020 1.00 0.00 C ATOM 10 C SER A 2 -13.441 -5.673 8.083 1.00 0.00 C ATOM 11 O SER A 2 -12.465 -6.408 8.079 1.00 0.00 O ATOM 12 CB SER A 2 -15.433 -7.129 8.375 1.00 0.00 C ATOM 13 OG SER A 2 -15.195 -8.383 8.993 1.00 0.00 O ATOM 0 H SER A 2 -16.360 -4.891 8.920 1.00 0.00 H new ATOM 0 HA SER A 2 -14.192 -6.367 9.971 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.491 -6.879 8.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.197 -7.194 7.313 1.00 0.00 H new ATOM 0 HG SER A 2 -15.744 -9.070 8.561 1.00 0.00 H new ATOM 19 N HIS A 3 -13.556 -4.600 7.299 1.00 0.00 N ATOM 20 CA HIS A 3 -12.678 -4.110 6.241 1.00 0.00 C ATOM 21 C HIS A 3 -12.365 -5.098 5.104 1.00 0.00 C ATOM 22 O HIS A 3 -12.497 -4.715 3.946 1.00 0.00 O ATOM 23 CB HIS A 3 -11.441 -3.397 6.822 1.00 0.00 C ATOM 24 CG HIS A 3 -10.255 -4.299 7.028 1.00 0.00 C ATOM 25 ND1 HIS A 3 -10.008 -5.136 8.092 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.317 -4.558 6.075 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.980 -5.926 7.750 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.513 -5.604 6.534 1.00 0.00 N ATOM 0 H HIS A 3 -14.362 -3.984 7.405 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.267 -3.360 5.713 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.155 -2.585 6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.710 -2.944 7.776 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.514 -5.152 8.978 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.213 -4.045 5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.581 -6.715 8.370 1.00 0.00 H new ATOM 36 N MET A 4 -12.028 -6.359 5.389 1.00 0.00 N ATOM 37 CA MET A 4 -11.710 -7.396 4.420 1.00 0.00 C ATOM 38 C MET A 4 -12.782 -7.533 3.347 1.00 0.00 C ATOM 39 O MET A 4 -12.448 -7.799 2.200 1.00 0.00 O ATOM 40 CB MET A 4 -11.540 -8.729 5.160 1.00 0.00 C ATOM 41 CG MET A 4 -10.073 -9.037 5.450 1.00 0.00 C ATOM 42 SD MET A 4 -9.196 -9.788 4.052 1.00 0.00 S ATOM 43 CE MET A 4 -8.174 -8.410 3.470 1.00 0.00 C ATOM 0 H MET A 4 -11.968 -6.694 6.350 1.00 0.00 H new ATOM 0 HA MET A 4 -10.786 -7.116 3.914 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.096 -8.697 6.097 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.968 -9.533 4.562 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.566 -8.114 5.732 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.014 -9.708 6.307 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.368 -8.794 2.844 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.788 -7.722 2.889 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.750 -7.885 4.326 1.00 0.00 H new ATOM 53 N GLU A 5 -14.056 -7.320 3.688 1.00 0.00 N ATOM 54 CA GLU A 5 -15.175 -7.483 2.759 1.00 0.00 C ATOM 55 C GLU A 5 -15.035 -6.624 1.514 1.00 0.00 C ATOM 56 O GLU A 5 -15.659 -6.893 0.485 1.00 0.00 O ATOM 57 CB GLU A 5 -16.496 -7.084 3.427 1.00 0.00 C ATOM 58 CG GLU A 5 -16.775 -7.977 4.619 1.00 0.00 C ATOM 59 CD GLU A 5 -18.175 -7.747 5.179 1.00 0.00 C ATOM 60 OE1 GLU A 5 -19.166 -7.948 4.450 1.00 0.00 O ATOM 61 OE2 GLU A 5 -18.277 -7.332 6.368 1.00 0.00 O ATOM 0 H GLU A 5 -14.341 -7.028 4.623 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.170 -8.536 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.449 -6.043 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.312 -7.160 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.667 -9.021 4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.036 -7.787 5.397 1.00 0.00 H new ATOM 68 N VAL A 6 -14.285 -5.537 1.622 1.00 0.00 N ATOM 69 CA VAL A 6 -14.175 -4.559 0.562 1.00 0.00 C ATOM 70 C VAL A 6 -13.122 -4.998 -0.460 1.00 0.00 C ATOM 71 O VAL A 6 -13.189 -4.632 -1.634 1.00 0.00 O ATOM 72 CB VAL A 6 -13.847 -3.213 1.220 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.519 -2.120 0.206 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.029 -2.788 2.101 1.00 0.00 C ATOM 0 H VAL A 6 -13.736 -5.312 2.452 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.106 -4.463 0.004 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.950 -3.347 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.296 -1.191 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.654 -2.420 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.373 -1.967 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.805 -1.832 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.924 -2.689 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.199 -3.542 2.870 1.00 0.00 H new ATOM 84 N PHE A 7 -12.162 -5.803 -0.015 1.00 0.00 N ATOM 85 CA PHE A 7 -10.986 -6.236 -0.764 1.00 0.00 C ATOM 86 C PHE A 7 -10.974 -7.744 -1.048 1.00 0.00 C ATOM 87 O PHE A 7 -10.094 -8.231 -1.752 1.00 0.00 O ATOM 88 CB PHE A 7 -9.733 -5.834 0.023 1.00 0.00 C ATOM 89 CG PHE A 7 -9.702 -4.392 0.497 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.742 -3.337 -0.435 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.604 -4.101 1.871 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.644 -2.006 0.006 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.471 -2.773 2.305 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.481 -1.726 1.372 1.00 0.00 C ATOM 0 H PHE A 7 -12.184 -6.192 0.928 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.009 -5.746 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.644 -6.487 0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.858 -6.013 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.848 -3.551 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.631 -4.903 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.694 -1.197 -0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.361 -2.557 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.363 -0.705 1.704 1.00 0.00 H new ATOM 104 N ALA A 8 -11.922 -8.516 -0.520 1.00 0.00 N ATOM 105 CA ALA A 8 -11.871 -9.973 -0.551 1.00 0.00 C ATOM 106 C ALA A 8 -12.288 -10.534 -1.911 1.00 0.00 C ATOM 107 O ALA A 8 -11.906 -11.645 -2.287 1.00 0.00 O ATOM 108 CB ALA A 8 -12.783 -10.487 0.553 1.00 0.00 C ATOM 0 H ALA A 8 -12.751 -8.144 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.846 -10.306 -0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.769 -11.577 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.434 -10.115 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.800 -10.138 0.376 1.00 0.00 H new ATOM 114 N GLU A 9 -13.050 -9.761 -2.676 1.00 0.00 N ATOM 115 CA GLU A 9 -13.545 -10.173 -3.977 1.00 0.00 C ATOM 116 C GLU A 9 -12.559 -9.834 -5.094 1.00 0.00 C ATOM 117 O GLU A 9 -12.710 -10.293 -6.228 1.00 0.00 O ATOM 118 CB GLU A 9 -14.891 -9.500 -4.214 1.00 0.00 C ATOM 119 CG GLU A 9 -15.955 -9.973 -3.221 1.00 0.00 C ATOM 120 CD GLU A 9 -17.319 -9.433 -3.627 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.714 -9.732 -4.796 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.926 -8.665 -2.864 1.00 0.00 O ATOM 0 H GLU A 9 -13.342 -8.822 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.662 -11.257 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.775 -8.419 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.226 -9.709 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.979 -11.062 -3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.704 -9.633 -2.216 1.00 0.00 H new ATOM 129 N TYR A 10 -11.517 -9.078 -4.766 1.00 0.00 N ATOM 130 CA TYR A 10 -10.305 -8.989 -5.546 1.00 0.00 C ATOM 131 C TYR A 10 -9.587 -10.337 -5.466 1.00 0.00 C ATOM 132 O TYR A 10 -9.396 -10.974 -6.505 1.00 0.00 O ATOM 133 CB TYR A 10 -9.502 -7.830 -4.962 1.00 0.00 C ATOM 134 CG TYR A 10 -8.170 -7.507 -5.580 1.00 0.00 C ATOM 135 CD1 TYR A 10 -8.098 -7.049 -6.906 1.00 0.00 C ATOM 136 CD2 TYR A 10 -7.039 -7.467 -4.748 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.895 -6.507 -7.389 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.829 -6.958 -5.229 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.757 -6.455 -6.546 1.00 0.00 C ATOM 140 OH TYR A 10 -4.608 -5.875 -6.976 1.00 0.00 O ATOM 0 H TYR A 10 -11.499 -8.498 -3.927 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.475 -8.790 -6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.121 -6.935 -5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.337 -8.038 -3.905 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.962 -7.113 -7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.104 -7.831 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.838 -6.131 -8.400 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.954 -6.950 -4.596 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.292 -5.236 -6.303 1.00 0.00 H new ATOM 150 N LEU A 11 -9.257 -10.795 -4.245 1.00 0.00 N ATOM 151 CA LEU A 11 -8.485 -12.012 -3.968 1.00 0.00 C ATOM 152 C LEU A 11 -8.962 -13.211 -4.768 1.00 0.00 C ATOM 153 O LEU A 11 -8.144 -13.865 -5.417 1.00 0.00 O ATOM 154 CB LEU A 11 -8.510 -12.383 -2.464 1.00 0.00 C ATOM 155 CG LEU A 11 -7.425 -11.777 -1.561 1.00 0.00 C ATOM 156 CD1 LEU A 11 -6.071 -11.816 -2.266 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.724 -10.350 -1.105 1.00 0.00 C ATOM 0 H LEU A 11 -9.533 -10.306 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.466 -11.774 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.481 -12.092 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.444 -13.468 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.407 -12.393 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.310 -11.384 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.809 -12.849 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.126 -11.243 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.912 -9.993 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.817 -9.702 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.657 -10.336 -0.541 1.00 0.00 H new ATOM 169 N LYS A 12 -10.270 -13.476 -4.744 1.00 0.00 N ATOM 170 CA LYS A 12 -10.860 -14.658 -5.367 1.00 0.00 C ATOM 171 C LYS A 12 -10.465 -14.815 -6.838 1.00 0.00 C ATOM 172 O LYS A 12 -10.348 -15.941 -7.319 1.00 0.00 O ATOM 173 CB LYS A 12 -12.382 -14.638 -5.143 1.00 0.00 C ATOM 174 CG LYS A 12 -13.144 -13.632 -6.011 1.00 0.00 C ATOM 175 CD LYS A 12 -14.583 -13.428 -5.509 1.00 0.00 C ATOM 176 CE LYS A 12 -15.304 -12.402 -6.389 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.671 -12.108 -5.907 1.00 0.00 N ATOM 0 H LYS A 12 -10.953 -12.871 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.455 -15.548 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.777 -15.636 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.578 -14.414 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.618 -12.677 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.164 -13.983 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.121 -14.376 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.571 -13.087 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.725 -11.479 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.355 -12.776 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.353 -12.272 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.897 -12.730 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.726 -11.115 -5.602 1.00 0.00 H new ATOM 191 N GLY A 13 -10.214 -13.705 -7.534 1.00 0.00 N ATOM 192 CA GLY A 13 -9.844 -13.661 -8.941 1.00 0.00 C ATOM 193 C GLY A 13 -8.400 -13.227 -9.208 1.00 0.00 C ATOM 194 O GLY A 13 -8.076 -12.976 -10.369 1.00 0.00 O ATOM 0 H GLY A 13 -10.266 -12.778 -7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.998 -14.649 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.517 -12.977 -9.459 1.00 0.00 H new ATOM 198 N ILE A 14 -7.524 -13.108 -8.201 1.00 0.00 N ATOM 199 CA ILE A 14 -6.092 -12.965 -8.463 1.00 0.00 C ATOM 200 C ILE A 14 -5.630 -14.311 -9.016 1.00 0.00 C ATOM 201 O ILE A 14 -5.633 -15.314 -8.306 1.00 0.00 O ATOM 202 CB ILE A 14 -5.288 -12.528 -7.216 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.808 -11.163 -6.718 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.783 -12.455 -7.556 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.976 -10.535 -5.594 1.00 0.00 C ATOM 0 H ILE A 14 -7.780 -13.108 -7.214 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.912 -12.164 -9.180 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.421 -13.262 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.838 -10.471 -7.560 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.833 -11.285 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.225 -12.147 -6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.435 -13.436 -7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.625 -11.731 -8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.414 -9.579 -5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.966 -11.203 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.955 -10.376 -5.942 1.00 0.00 H new ATOM 217 N ASP A 15 -5.266 -14.335 -10.294 1.00 0.00 N ATOM 218 CA ASP A 15 -4.926 -15.560 -11.022 1.00 0.00 C ATOM 219 C ASP A 15 -3.519 -16.078 -10.708 1.00 0.00 C ATOM 220 O ASP A 15 -3.128 -17.168 -11.124 1.00 0.00 O ATOM 221 CB ASP A 15 -5.033 -15.253 -12.512 1.00 0.00 C ATOM 222 CG ASP A 15 -5.378 -16.498 -13.312 1.00 0.00 C ATOM 223 OD1 ASP A 15 -6.595 -16.760 -13.434 1.00 0.00 O ATOM 224 OD2 ASP A 15 -4.469 -17.110 -13.924 1.00 0.00 O ATOM 0 H ASP A 15 -5.197 -13.493 -10.865 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.617 -16.344 -10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.796 -14.492 -12.674 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.089 -14.840 -12.868 1.00 0.00 H new ATOM 229 N HIS A 16 -2.727 -15.276 -9.992 1.00 0.00 N ATOM 230 CA HIS A 16 -1.310 -15.475 -9.790 1.00 0.00 C ATOM 231 C HIS A 16 -0.984 -15.581 -8.299 1.00 0.00 C ATOM 232 O HIS A 16 -0.418 -14.652 -7.717 1.00 0.00 O ATOM 233 CB HIS A 16 -0.647 -14.336 -10.564 1.00 0.00 C ATOM 234 CG HIS A 16 0.676 -14.639 -11.180 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.230 -15.853 -11.528 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.450 -13.649 -11.687 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.369 -15.576 -12.193 1.00 0.00 C ATOM 238 NE2 HIS A 16 2.552 -14.243 -12.307 1.00 0.00 N ATOM 0 H HIS A 16 -3.079 -14.441 -9.524 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.923 -16.420 -10.171 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.327 -14.018 -11.354 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.524 -13.489 -9.889 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.250 -12.590 -11.623 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.046 -16.322 -12.583 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.335 -13.767 -12.755 1.00 0.00 H new ATOM 246 N PRO A 17 -1.335 -16.718 -7.667 1.00 0.00 N ATOM 247 CA PRO A 17 -1.333 -16.872 -6.223 1.00 0.00 C ATOM 248 C PRO A 17 0.043 -16.822 -5.576 1.00 0.00 C ATOM 249 O PRO A 17 0.128 -16.508 -4.391 1.00 0.00 O ATOM 250 CB PRO A 17 -2.040 -18.190 -5.934 1.00 0.00 C ATOM 251 CG PRO A 17 -1.851 -18.988 -7.215 1.00 0.00 C ATOM 252 CD PRO A 17 -1.887 -17.912 -8.284 1.00 0.00 C ATOM 0 HA PRO A 17 -1.848 -16.020 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.602 -18.700 -5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.096 -18.037 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.906 -19.531 -7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.642 -19.724 -7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.302 -18.207 -9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.906 -17.738 -8.629 1.00 0.00 H new ATOM 260 N ASP A 18 1.108 -17.029 -6.352 1.00 0.00 N ATOM 261 CA ASP A 18 2.489 -16.924 -5.868 1.00 0.00 C ATOM 262 C ASP A 18 2.800 -15.481 -5.432 1.00 0.00 C ATOM 263 O ASP A 18 3.801 -15.237 -4.756 1.00 0.00 O ATOM 264 CB ASP A 18 3.481 -17.441 -6.934 1.00 0.00 C ATOM 265 CG ASP A 18 3.423 -18.959 -7.153 1.00 0.00 C ATOM 266 OD1 ASP A 18 2.423 -19.603 -6.763 1.00 0.00 O ATOM 267 OD2 ASP A 18 4.309 -19.544 -7.823 1.00 0.00 O ATOM 0 H ASP A 18 1.038 -17.276 -7.339 1.00 0.00 H new ATOM 0 HA ASP A 18 2.605 -17.558 -4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.277 -16.939 -7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.493 -17.165 -6.639 1.00 0.00 H new ATOM 272 N HIS A 19 1.908 -14.529 -5.747 1.00 0.00 N ATOM 273 CA HIS A 19 1.977 -13.108 -5.379 1.00 0.00 C ATOM 274 C HIS A 19 0.776 -12.675 -4.521 1.00 0.00 C ATOM 275 O HIS A 19 0.700 -11.535 -4.056 1.00 0.00 O ATOM 276 CB HIS A 19 2.038 -12.277 -6.673 1.00 0.00 C ATOM 277 CG HIS A 19 2.911 -12.931 -7.713 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.478 -13.856 -8.635 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.271 -13.031 -7.637 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.555 -14.519 -9.085 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.676 -14.033 -8.525 1.00 0.00 N ATOM 0 H HIS A 19 1.075 -14.742 -6.295 1.00 0.00 H new ATOM 0 HA HIS A 19 2.869 -12.943 -4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.031 -12.148 -7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.422 -11.282 -6.449 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.918 -12.442 -7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.525 -15.330 -9.798 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.632 -14.335 -8.711 1.00 0.00 H new ATOM 289 N ARG A 20 -0.209 -13.559 -4.345 1.00 0.00 N ATOM 290 CA ARG A 20 -1.476 -13.231 -3.710 1.00 0.00 C ATOM 291 C ARG A 20 -1.327 -13.225 -2.198 1.00 0.00 C ATOM 292 O ARG A 20 -1.790 -12.283 -1.558 1.00 0.00 O ATOM 293 CB ARG A 20 -2.539 -14.242 -4.155 1.00 0.00 C ATOM 294 CG ARG A 20 -3.905 -13.940 -3.544 1.00 0.00 C ATOM 295 CD ARG A 20 -4.472 -15.069 -2.675 1.00 0.00 C ATOM 296 NE ARG A 20 -5.222 -16.037 -3.495 1.00 0.00 N ATOM 297 CZ ARG A 20 -6.240 -16.801 -3.074 1.00 0.00 C ATOM 298 NH1 ARG A 20 -6.601 -16.792 -1.797 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.902 -17.556 -3.939 1.00 0.00 N ATOM 0 H ARG A 20 -0.143 -14.532 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.789 -12.232 -4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.617 -14.231 -5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.227 -15.246 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.828 -13.036 -2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.610 -13.727 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.659 -15.578 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.126 -14.651 -1.910 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.941 -16.134 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.103 -16.202 -1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.376 -17.375 -1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.637 -17.555 -4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.677 -18.138 -3.620 1.00 0.00 H new ATOM 313 N ASP A 21 -0.730 -14.275 -1.641 1.00 0.00 N ATOM 314 CA ASP A 21 -0.565 -14.419 -0.195 1.00 0.00 C ATOM 315 C ASP A 21 0.185 -13.215 0.369 1.00 0.00 C ATOM 316 O ASP A 21 -0.261 -12.611 1.340 1.00 0.00 O ATOM 317 CB ASP A 21 0.160 -15.723 0.135 1.00 0.00 C ATOM 318 CG ASP A 21 -0.200 -16.209 1.538 1.00 0.00 C ATOM 319 OD1 ASP A 21 0.443 -15.789 2.527 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.095 -17.082 1.613 1.00 0.00 O ATOM 0 H ASP A 21 -0.346 -15.052 -2.179 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.550 -14.458 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.105 -16.486 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.237 -15.573 0.063 1.00 0.00 H new ATOM 325 N ARG A 22 1.238 -12.774 -0.333 1.00 0.00 N ATOM 326 CA ARG A 22 1.954 -11.538 -0.036 1.00 0.00 C ATOM 327 C ARG A 22 0.983 -10.377 0.075 1.00 0.00 C ATOM 328 O ARG A 22 0.983 -9.695 1.089 1.00 0.00 O ATOM 329 CB ARG A 22 2.996 -11.236 -1.128 1.00 0.00 C ATOM 330 CG ARG A 22 4.131 -12.266 -1.292 1.00 0.00 C ATOM 331 CD ARG A 22 5.517 -11.716 -0.944 1.00 0.00 C ATOM 332 NE ARG A 22 5.840 -10.511 -1.731 1.00 0.00 N ATOM 333 CZ ARG A 22 7.062 -10.004 -1.928 1.00 0.00 C ATOM 334 NH1 ARG A 22 8.137 -10.639 -1.494 1.00 0.00 N ATOM 335 NH2 ARG A 22 7.216 -8.857 -2.583 1.00 0.00 N ATOM 0 H ARG A 22 1.618 -13.278 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 22 2.468 -11.667 0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.476 -11.145 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.443 -10.265 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.922 -13.128 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.140 -12.623 -2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.558 -11.478 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.269 -12.483 -1.128 1.00 0.00 H new ATOM 0 HE ARG A 22 5.059 -10.019 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.041 -11.527 -1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.063 -10.241 -1.651 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.400 -8.359 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.150 -8.475 -2.730 1.00 0.00 H new ATOM 349 N THR A 23 0.197 -10.124 -0.964 1.00 0.00 N ATOM 350 CA THR A 23 -0.696 -8.976 -1.065 1.00 0.00 C ATOM 351 C THR A 23 -1.706 -8.968 0.103 1.00 0.00 C ATOM 352 O THR A 23 -2.001 -7.901 0.649 1.00 0.00 O ATOM 353 CB THR A 23 -1.358 -9.075 -2.462 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.382 -9.121 -3.493 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.314 -7.946 -2.851 1.00 0.00 C ATOM 0 H THR A 23 0.162 -10.730 -1.784 1.00 0.00 H new ATOM 0 HA THR A 23 -0.169 -8.026 -0.979 1.00 0.00 H new ATOM 0 HB THR A 23 -1.941 -9.991 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.077 -10.044 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.710 -8.132 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.136 -7.903 -2.137 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.778 -6.997 -2.845 1.00 0.00 H new ATOM 363 N GLU A 24 -2.224 -10.133 0.517 1.00 0.00 N ATOM 364 CA GLU A 24 -3.054 -10.325 1.705 1.00 0.00 C ATOM 365 C GLU A 24 -2.387 -9.887 3.009 1.00 0.00 C ATOM 366 O GLU A 24 -3.076 -9.437 3.930 1.00 0.00 O ATOM 367 CB GLU A 24 -3.410 -11.816 1.765 1.00 0.00 C ATOM 368 CG GLU A 24 -4.829 -12.049 1.250 1.00 0.00 C ATOM 369 CD GLU A 24 -5.914 -12.057 2.334 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.586 -12.021 3.540 1.00 0.00 O ATOM 371 OE2 GLU A 24 -7.099 -12.145 1.950 1.00 0.00 O ATOM 0 H GLU A 24 -2.066 -11.003 0.008 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.936 -9.692 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.701 -12.389 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.326 -12.175 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.068 -11.274 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.857 -13.002 0.721 1.00 0.00 H new ATOM 378 N GLU A 25 -1.064 -9.985 3.105 1.00 0.00 N ATOM 379 CA GLU A 25 -0.348 -9.484 4.264 1.00 0.00 C ATOM 380 C GLU A 25 -0.516 -7.964 4.361 1.00 0.00 C ATOM 381 O GLU A 25 -0.875 -7.470 5.432 1.00 0.00 O ATOM 382 CB GLU A 25 1.138 -9.843 4.227 1.00 0.00 C ATOM 383 CG GLU A 25 1.494 -11.318 4.155 1.00 0.00 C ATOM 384 CD GLU A 25 3.007 -11.435 4.305 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.545 -11.063 5.373 1.00 0.00 O ATOM 386 OE2 GLU A 25 3.713 -11.756 3.320 1.00 0.00 O ATOM 0 H GLU A 25 -0.470 -10.408 2.392 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.776 -9.962 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.584 -9.345 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.609 -9.425 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.987 -11.873 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.169 -11.744 3.206 1.00 0.00 H new ATOM 393 N ILE A 26 -0.247 -7.237 3.263 1.00 0.00 N ATOM 394 CA ILE A 26 -0.304 -5.764 3.201 1.00 0.00 C ATOM 395 C ILE A 26 -1.710 -5.342 3.594 1.00 0.00 C ATOM 396 O ILE A 26 -1.884 -4.469 4.445 1.00 0.00 O ATOM 397 CB ILE A 26 0.013 -5.184 1.787 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.498 -5.359 1.391 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.349 -3.673 1.668 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.829 -6.594 0.567 1.00 0.00 C ATOM 0 H ILE A 26 0.021 -7.664 2.376 1.00 0.00 H new ATOM 0 HA ILE A 26 0.458 -5.375 3.876 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.611 -5.761 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.810 -4.478 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.096 -5.384 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.109 -3.319 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.414 -3.538 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.223 -3.103 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.897 -6.611 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.559 -7.489 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.269 -6.569 -0.368 1.00 0.00 H new ATOM 412 N LEU A 27 -2.699 -5.935 2.916 1.00 0.00 N ATOM 413 CA LEU A 27 -4.093 -5.543 2.985 1.00 0.00 C ATOM 414 C LEU A 27 -4.532 -5.440 4.439 1.00 0.00 C ATOM 415 O LEU A 27 -4.946 -4.361 4.876 1.00 0.00 O ATOM 416 CB LEU A 27 -4.965 -6.553 2.218 1.00 0.00 C ATOM 417 CG LEU A 27 -5.305 -6.208 0.764 1.00 0.00 C ATOM 418 CD1 LEU A 27 -6.161 -7.345 0.197 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.123 -4.918 0.634 1.00 0.00 C ATOM 0 H LEU A 27 -2.537 -6.723 2.289 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.214 -4.565 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.457 -7.517 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.900 -6.679 2.765 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.364 -6.072 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.418 -7.125 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.601 -8.279 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.074 -7.441 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.333 -4.725 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.061 -5.026 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.557 -4.085 1.049 1.00 0.00 H new ATOM 431 N SER A 28 -4.468 -6.549 5.175 1.00 0.00 N ATOM 432 CA SER A 28 -4.935 -6.568 6.542 1.00 0.00 C ATOM 433 C SER A 28 -3.994 -5.781 7.455 1.00 0.00 C ATOM 434 O SER A 28 -4.489 -5.174 8.402 1.00 0.00 O ATOM 435 CB SER A 28 -5.072 -8.023 6.977 1.00 0.00 C ATOM 436 OG SER A 28 -6.277 -8.560 6.464 1.00 0.00 O ATOM 0 H SER A 28 -4.097 -7.438 4.840 1.00 0.00 H new ATOM 0 HA SER A 28 -5.907 -6.080 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.222 -8.602 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.066 -8.090 8.065 1.00 0.00 H new ATOM 0 HG SER A 28 -6.363 -9.496 6.743 1.00 0.00 H new ATOM 442 N TRP A 29 -2.683 -5.736 7.174 1.00 0.00 N ATOM 443 CA TRP A 29 -1.724 -5.003 7.995 1.00 0.00 C ATOM 444 C TRP A 29 -2.048 -3.513 8.029 1.00 0.00 C ATOM 445 O TRP A 29 -2.106 -2.941 9.114 1.00 0.00 O ATOM 446 CB TRP A 29 -0.291 -5.220 7.503 1.00 0.00 C ATOM 447 CG TRP A 29 0.740 -4.406 8.215 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.247 -4.667 9.440 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.373 -3.169 7.784 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.192 -3.715 9.765 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.307 -2.760 8.778 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.234 -2.350 6.646 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.101 -1.615 8.624 1.00 0.00 C ATOM 454 CZ3 TRP A 29 2.050 -1.222 6.459 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.993 -0.869 7.440 1.00 0.00 C ATOM 0 H TRP A 29 -2.265 -6.207 6.372 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.803 -5.395 9.009 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.040 -6.275 7.610 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.247 -4.988 6.439 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.957 -5.495 10.070 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.737 -3.718 10.627 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.487 -2.594 5.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.784 -1.312 9.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.953 -0.627 5.563 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.639 -0.018 7.282 1.00 0.00 H new ATOM 466 N VAL A 30 -2.299 -2.880 6.874 1.00 0.00 N ATOM 467 CA VAL A 30 -2.623 -1.455 6.856 1.00 0.00 C ATOM 468 C VAL A 30 -3.860 -1.225 7.722 1.00 0.00 C ATOM 469 O VAL A 30 -3.838 -0.359 8.591 1.00 0.00 O ATOM 470 CB VAL A 30 -2.824 -0.931 5.417 1.00 0.00 C ATOM 471 CG1 VAL A 30 -3.284 0.542 5.362 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.524 -1.003 4.594 1.00 0.00 C ATOM 0 H VAL A 30 -2.284 -3.327 5.957 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.786 -0.890 7.266 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.596 -1.580 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.406 0.846 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.235 0.646 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.536 1.175 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.709 -0.625 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.756 -0.397 5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.187 -2.038 4.537 1.00 0.00 H new ATOM 482 N ALA A 31 -4.921 -2.011 7.533 1.00 0.00 N ATOM 483 CA ALA A 31 -6.122 -1.851 8.335 1.00 0.00 C ATOM 484 C ALA A 31 -5.912 -2.236 9.806 1.00 0.00 C ATOM 485 O ALA A 31 -6.777 -1.964 10.637 1.00 0.00 O ATOM 486 CB ALA A 31 -7.236 -2.694 7.722 1.00 0.00 C ATOM 0 H ALA A 31 -4.968 -2.756 6.838 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.392 -0.795 8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.144 -2.583 8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.425 -2.360 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.935 -3.742 7.711 1.00 0.00 H new ATOM 492 N ALA A 32 -4.829 -2.942 10.140 1.00 0.00 N ATOM 493 CA ALA A 32 -4.527 -3.376 11.491 1.00 0.00 C ATOM 494 C ALA A 32 -3.811 -2.259 12.236 1.00 0.00 C ATOM 495 O ALA A 32 -4.355 -1.760 13.221 1.00 0.00 O ATOM 496 CB ALA A 32 -3.712 -4.669 11.500 1.00 0.00 C ATOM 0 H ALA A 32 -4.127 -3.230 9.458 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.463 -3.596 12.004 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.506 -4.962 12.529 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.277 -5.459 11.004 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.771 -4.510 10.973 1.00 0.00 H new ATOM 502 N THR A 33 -2.624 -1.860 11.767 1.00 0.00 N ATOM 503 CA THR A 33 -1.815 -0.817 12.389 1.00 0.00 C ATOM 504 C THR A 33 -2.478 0.556 12.231 1.00 0.00 C ATOM 505 O THR A 33 -2.270 1.467 13.038 1.00 0.00 O ATOM 506 CB THR A 33 -0.437 -0.788 11.709 1.00 0.00 C ATOM 507 OG1 THR A 33 0.070 -2.076 11.427 1.00 0.00 O ATOM 508 CG2 THR A 33 0.625 -0.069 12.542 1.00 0.00 C ATOM 0 H THR A 33 -2.196 -2.261 10.933 1.00 0.00 H new ATOM 0 HA THR A 33 -1.716 -1.036 13.452 1.00 0.00 H new ATOM 0 HB THR A 33 -0.622 -0.246 10.782 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.717 -2.020 10.693 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.576 -0.082 12.009 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.318 0.963 12.711 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.740 -0.575 13.501 1.00 0.00 H new ATOM 516 N PHE A 34 -3.273 0.717 11.165 1.00 0.00 N ATOM 517 CA PHE A 34 -3.932 1.953 10.820 1.00 0.00 C ATOM 518 C PHE A 34 -5.448 1.668 10.713 1.00 0.00 C ATOM 519 O PHE A 34 -6.025 1.644 9.627 1.00 0.00 O ATOM 520 CB PHE A 34 -3.244 2.639 9.618 1.00 0.00 C ATOM 521 CG PHE A 34 -1.774 2.311 9.395 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.769 2.667 10.309 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.421 1.583 8.248 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.548 2.209 10.108 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.105 1.165 8.014 1.00 0.00 C ATOM 526 CZ PHE A 34 0.873 1.450 8.967 1.00 0.00 C ATOM 0 H PHE A 34 -3.472 -0.039 10.510 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.832 2.714 11.594 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.793 2.374 8.714 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.337 3.718 9.742 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.004 3.288 11.161 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.186 1.338 7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.313 2.441 10.834 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.149 0.631 7.110 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.881 1.088 8.830 1.00 0.00 H new ATOM 536 N PRO A 35 -6.154 1.470 11.845 1.00 0.00 N ATOM 537 CA PRO A 35 -7.607 1.284 11.840 1.00 0.00 C ATOM 538 C PRO A 35 -8.350 2.600 11.545 1.00 0.00 C ATOM 539 O PRO A 35 -9.571 2.614 11.403 1.00 0.00 O ATOM 540 CB PRO A 35 -7.938 0.729 13.227 1.00 0.00 C ATOM 541 CG PRO A 35 -6.881 1.371 14.118 1.00 0.00 C ATOM 542 CD PRO A 35 -5.653 1.464 13.211 1.00 0.00 C ATOM 0 HA PRO A 35 -7.929 0.604 11.051 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.947 1.000 13.539 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.878 -0.359 13.251 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.196 2.354 14.469 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.681 0.766 15.002 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.083 2.369 13.420 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.983 0.620 13.376 1.00 0.00 H new ATOM 550 N ASN A 36 -7.624 3.721 11.452 1.00 0.00 N ATOM 551 CA ASN A 36 -8.176 5.044 11.179 1.00 0.00 C ATOM 552 C ASN A 36 -8.785 5.134 9.775 1.00 0.00 C ATOM 553 O ASN A 36 -9.770 5.839 9.565 1.00 0.00 O ATOM 554 CB ASN A 36 -7.076 6.118 11.347 1.00 0.00 C ATOM 555 CG ASN A 36 -7.501 7.222 12.306 1.00 0.00 C ATOM 556 OD1 ASN A 36 -8.679 7.554 12.399 1.00 0.00 O ATOM 557 ND2 ASN A 36 -6.576 7.778 13.064 1.00 0.00 N ATOM 0 H ASN A 36 -6.611 3.728 11.568 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.977 5.222 11.897 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.164 5.649 11.715 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.841 6.552 10.375 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.835 8.496 13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.602 7.490 12.974 1.00 0.00 H new ATOM 564 N LEU A 37 -8.169 4.468 8.794 1.00 0.00 N ATOM 565 CA LEU A 37 -8.510 4.565 7.388 1.00 0.00 C ATOM 566 C LEU A 37 -9.738 3.710 7.154 1.00 0.00 C ATOM 567 O LEU A 37 -9.818 2.591 7.664 1.00 0.00 O ATOM 568 CB LEU A 37 -7.353 4.050 6.509 1.00 0.00 C ATOM 569 CG LEU A 37 -6.000 4.747 6.692 1.00 0.00 C ATOM 570 CD1 LEU A 37 -6.112 6.221 6.401 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.372 4.314 7.973 1.00 0.00 C ATOM 0 H LEU A 37 -7.395 3.828 8.972 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.698 5.606 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.220 2.986 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.648 4.145 5.464 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.270 4.429 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.139 6.694 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.444 6.365 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.834 6.672 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.411 4.814 8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.025 4.576 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.220 3.235 7.957 1.00 0.00 H new ATOM 583 N GLU A 38 -10.661 4.196 6.343 1.00 0.00 N ATOM 584 CA GLU A 38 -11.799 3.416 5.898 1.00 0.00 C ATOM 585 C GLU A 38 -11.390 2.673 4.624 1.00 0.00 C ATOM 586 O GLU A 38 -10.611 3.219 3.834 1.00 0.00 O ATOM 587 CB GLU A 38 -12.988 4.355 5.649 1.00 0.00 C ATOM 588 CG GLU A 38 -13.559 4.901 6.965 1.00 0.00 C ATOM 589 CD GLU A 38 -14.525 3.927 7.645 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.203 2.727 7.845 1.00 0.00 O ATOM 591 OE2 GLU A 38 -15.625 4.363 8.045 1.00 0.00 O ATOM 0 H GLU A 38 -10.641 5.147 5.974 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.103 2.689 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.672 5.184 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.768 3.820 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.738 5.125 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.076 5.840 6.769 1.00 0.00 H new ATOM 598 N PRO A 39 -11.912 1.463 4.383 1.00 0.00 N ATOM 599 CA PRO A 39 -11.651 0.697 3.169 1.00 0.00 C ATOM 600 C PRO A 39 -12.527 1.181 2.003 1.00 0.00 C ATOM 601 O PRO A 39 -13.714 1.450 2.212 1.00 0.00 O ATOM 602 CB PRO A 39 -12.024 -0.735 3.557 1.00 0.00 C ATOM 603 CG PRO A 39 -13.161 -0.546 4.564 1.00 0.00 C ATOM 604 CD PRO A 39 -12.763 0.721 5.300 1.00 0.00 C ATOM 0 HA PRO A 39 -10.620 0.797 2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.346 -1.315 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.180 -1.264 3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.125 -0.438 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.245 -1.396 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.641 1.304 5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.232 0.487 6.223 1.00 0.00 H new ATOM 612 N GLN A 40 -11.998 1.221 0.774 1.00 0.00 N ATOM 613 CA GLN A 40 -12.776 1.533 -0.419 1.00 0.00 C ATOM 614 C GLN A 40 -12.231 0.757 -1.614 1.00 0.00 C ATOM 615 O GLN A 40 -11.020 0.683 -1.824 1.00 0.00 O ATOM 616 CB GLN A 40 -12.724 3.046 -0.670 1.00 0.00 C ATOM 617 CG GLN A 40 -13.373 3.489 -1.989 1.00 0.00 C ATOM 618 CD GLN A 40 -13.925 4.916 -1.936 1.00 0.00 C ATOM 619 OE1 GLN A 40 -15.037 5.174 -2.376 1.00 0.00 O ATOM 620 NE2 GLN A 40 -13.175 5.885 -1.450 1.00 0.00 N ATOM 0 H GLN A 40 -11.013 1.036 0.584 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.815 1.237 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.220 3.557 0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.683 3.368 -0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.637 3.420 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.182 2.802 -2.238 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.247 5.676 -1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.523 6.844 -1.442 1.00 0.00 H new ATOM 629 N MET A 41 -13.136 0.238 -2.441 1.00 0.00 N ATOM 630 CA MET A 41 -12.804 -0.348 -3.727 1.00 0.00 C ATOM 631 C MET A 41 -13.098 0.688 -4.812 1.00 0.00 C ATOM 632 O MET A 41 -14.265 0.953 -5.122 1.00 0.00 O ATOM 633 CB MET A 41 -13.576 -1.661 -3.910 1.00 0.00 C ATOM 634 CG MET A 41 -13.369 -2.241 -5.314 1.00 0.00 C ATOM 635 SD MET A 41 -12.992 -4.000 -5.377 1.00 0.00 S ATOM 636 CE MET A 41 -11.260 -3.894 -4.882 1.00 0.00 C ATOM 0 H MET A 41 -14.133 0.215 -2.229 1.00 0.00 H new ATOM 0 HA MET A 41 -11.747 -0.606 -3.792 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.248 -2.385 -3.164 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.638 -1.487 -3.740 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.270 -2.059 -5.900 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.559 -1.696 -5.798 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.060 -4.626 -4.100 1.00 0.00 H new ATOM 0 HE2 MET A 41 -10.623 -4.098 -5.742 1.00 0.00 H new ATOM 0 HE3 MET A 41 -11.050 -2.893 -4.505 1.00 0.00 H new ATOM 646 N LYS A 42 -12.051 1.264 -5.404 1.00 0.00 N ATOM 647 CA LYS A 42 -12.100 2.134 -6.585 1.00 0.00 C ATOM 648 C LYS A 42 -11.153 1.541 -7.616 1.00 0.00 C ATOM 649 O LYS A 42 -10.177 0.911 -7.225 1.00 0.00 O ATOM 650 CB LYS A 42 -11.662 3.571 -6.218 1.00 0.00 C ATOM 651 CG LYS A 42 -12.721 4.636 -6.545 1.00 0.00 C ATOM 652 CD LYS A 42 -13.715 4.833 -5.392 1.00 0.00 C ATOM 653 CE LYS A 42 -14.916 5.672 -5.859 1.00 0.00 C ATOM 654 NZ LYS A 42 -15.994 5.763 -4.848 1.00 0.00 N ATOM 0 H LYS A 42 -11.100 1.132 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.115 2.192 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.433 3.612 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.742 3.809 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.227 5.583 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.263 4.344 -7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.059 3.864 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.220 5.328 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.574 6.677 -6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.320 5.238 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.242 6.761 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.831 5.246 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.667 5.346 -3.953 1.00 0.00 H new ATOM 668 N TRP A 43 -11.412 1.748 -8.904 1.00 0.00 N ATOM 669 CA TRP A 43 -10.565 1.329 -10.021 1.00 0.00 C ATOM 670 C TRP A 43 -10.242 -0.171 -10.055 1.00 0.00 C ATOM 671 O TRP A 43 -9.272 -0.577 -10.689 1.00 0.00 O ATOM 672 CB TRP A 43 -9.331 2.238 -10.109 1.00 0.00 C ATOM 673 CG TRP A 43 -9.590 3.623 -10.616 1.00 0.00 C ATOM 674 CD1 TRP A 43 -10.421 4.534 -10.067 1.00 0.00 C ATOM 675 CD2 TRP A 43 -9.018 4.268 -11.790 1.00 0.00 C ATOM 676 NE1 TRP A 43 -10.403 5.690 -10.815 1.00 0.00 N ATOM 677 CE2 TRP A 43 -9.519 5.599 -11.869 1.00 0.00 C ATOM 678 CE3 TRP A 43 -8.124 3.857 -12.799 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -9.118 6.489 -12.879 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -7.707 4.741 -13.810 1.00 0.00 C ATOM 681 CH2 TRP A 43 -8.189 6.061 -13.841 1.00 0.00 C ATOM 0 H TRP A 43 -12.254 2.233 -9.213 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.146 1.461 -10.934 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.882 2.310 -9.118 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.596 1.763 -10.759 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.011 4.380 -9.176 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.973 6.512 -10.614 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.752 2.843 -12.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.520 7.491 -12.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.013 4.404 -14.566 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.845 6.745 -14.603 1.00 0.00 H new ATOM 692 N ASN A 44 -11.047 -1.017 -9.396 1.00 0.00 N ATOM 693 CA ASN A 44 -10.739 -2.426 -9.149 1.00 0.00 C ATOM 694 C ASN A 44 -9.411 -2.586 -8.394 1.00 0.00 C ATOM 695 O ASN A 44 -8.747 -3.617 -8.493 1.00 0.00 O ATOM 696 CB ASN A 44 -10.729 -3.226 -10.458 1.00 0.00 C ATOM 697 CG ASN A 44 -11.169 -4.663 -10.226 1.00 0.00 C ATOM 698 OD1 ASN A 44 -10.369 -5.561 -9.976 1.00 0.00 O ATOM 699 ND2 ASN A 44 -12.463 -4.938 -10.302 1.00 0.00 N ATOM 0 H ASN A 44 -11.948 -0.731 -9.013 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.529 -2.829 -8.515 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.392 -2.752 -11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.727 -3.214 -10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.791 -5.892 -10.153 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.131 -4.195 -10.509 1.00 0.00 H new ATOM 706 N THR A 45 -9.017 -1.573 -7.626 1.00 0.00 N ATOM 707 CA THR A 45 -7.807 -1.543 -6.830 1.00 0.00 C ATOM 708 C THR A 45 -8.178 -1.381 -5.353 1.00 0.00 C ATOM 709 O THR A 45 -9.181 -0.727 -5.036 1.00 0.00 O ATOM 710 CB THR A 45 -6.864 -0.425 -7.333 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.467 0.862 -7.377 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.364 -0.697 -8.755 1.00 0.00 C ATOM 0 H THR A 45 -9.562 -0.715 -7.543 1.00 0.00 H new ATOM 0 HA THR A 45 -7.263 -2.482 -6.934 1.00 0.00 H new ATOM 0 HB THR A 45 -6.052 -0.430 -6.605 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.431 0.777 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.705 0.112 -9.070 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.817 -1.639 -8.774 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.214 -0.757 -9.434 1.00 0.00 H new ATOM 720 N PRO A 46 -7.395 -1.972 -4.440 1.00 0.00 N ATOM 721 CA PRO A 46 -7.537 -1.734 -3.016 1.00 0.00 C ATOM 722 C PRO A 46 -7.010 -0.340 -2.670 1.00 0.00 C ATOM 723 O PRO A 46 -5.840 -0.024 -2.911 1.00 0.00 O ATOM 724 CB PRO A 46 -6.719 -2.841 -2.354 1.00 0.00 C ATOM 725 CG PRO A 46 -5.626 -3.125 -3.380 1.00 0.00 C ATOM 726 CD PRO A 46 -6.342 -2.950 -4.693 1.00 0.00 C ATOM 0 HA PRO A 46 -8.572 -1.758 -2.675 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.302 -2.518 -1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.324 -3.725 -2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.790 -2.433 -3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.222 -4.131 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.660 -2.600 -5.468 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.760 -3.895 -5.040 1.00 0.00 H new ATOM 734 N MET A 47 -7.856 0.502 -2.081 1.00 0.00 N ATOM 735 CA MET A 47 -7.416 1.761 -1.510 1.00 0.00 C ATOM 736 C MET A 47 -8.093 1.987 -0.159 1.00 0.00 C ATOM 737 O MET A 47 -9.039 1.287 0.210 1.00 0.00 O ATOM 738 CB MET A 47 -7.601 2.896 -2.530 1.00 0.00 C ATOM 739 CG MET A 47 -9.059 3.230 -2.873 1.00 0.00 C ATOM 740 SD MET A 47 -9.312 4.848 -3.660 1.00 0.00 S ATOM 741 CE MET A 47 -8.519 5.913 -2.425 1.00 0.00 C ATOM 0 H MET A 47 -8.857 0.328 -1.989 1.00 0.00 H new ATOM 0 HA MET A 47 -6.347 1.738 -1.297 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.120 3.794 -2.142 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.080 2.627 -3.449 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.447 2.456 -3.535 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.650 3.192 -1.958 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.012 6.885 -2.413 1.00 0.00 H new ATOM 0 HE2 MET A 47 -8.601 5.452 -1.441 1.00 0.00 H new ATOM 0 HE3 MET A 47 -7.467 6.043 -2.678 1.00 0.00 H new ATOM 751 N PHE A 48 -7.595 2.962 0.593 1.00 0.00 N ATOM 752 CA PHE A 48 -8.120 3.346 1.898 1.00 0.00 C ATOM 753 C PHE A 48 -8.364 4.852 1.812 1.00 0.00 C ATOM 754 O PHE A 48 -7.945 5.501 0.853 1.00 0.00 O ATOM 755 CB PHE A 48 -7.169 2.985 3.071 1.00 0.00 C ATOM 756 CG PHE A 48 -6.410 1.670 3.027 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.493 1.355 2.001 1.00 0.00 C ATOM 758 CD2 PHE A 48 -6.604 0.769 4.090 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.858 0.100 1.973 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.029 -0.514 4.024 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.172 -0.846 2.956 1.00 0.00 C ATOM 0 H PHE A 48 -6.793 3.522 0.304 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.034 2.795 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.435 3.786 3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.759 2.994 3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.277 2.082 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.189 1.060 4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.137 -0.131 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.244 -1.243 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.753 -1.840 2.895 1.00 0.00 H new ATOM 771 N SER A 49 -9.034 5.454 2.784 1.00 0.00 N ATOM 772 CA SER A 49 -9.039 6.900 2.912 1.00 0.00 C ATOM 773 C SER A 49 -9.301 7.232 4.363 1.00 0.00 C ATOM 774 O SER A 49 -10.160 6.629 5.002 1.00 0.00 O ATOM 775 CB SER A 49 -10.056 7.520 1.947 1.00 0.00 C ATOM 776 OG SER A 49 -11.304 6.849 1.926 1.00 0.00 O ATOM 0 H SER A 49 -9.579 4.963 3.493 1.00 0.00 H new ATOM 0 HA SER A 49 -8.077 7.329 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.218 8.562 2.224 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.636 7.519 0.941 1.00 0.00 H new ATOM 0 HG SER A 49 -11.905 7.295 1.293 1.00 0.00 H new ATOM 782 N ASN A 50 -8.541 8.172 4.898 1.00 0.00 N ATOM 783 CA ASN A 50 -8.879 8.828 6.138 1.00 0.00 C ATOM 784 C ASN A 50 -9.967 9.813 5.754 1.00 0.00 C ATOM 785 O ASN A 50 -9.701 10.683 4.927 1.00 0.00 O ATOM 786 CB ASN A 50 -7.637 9.542 6.669 1.00 0.00 C ATOM 787 CG ASN A 50 -7.831 10.008 8.096 1.00 0.00 C ATOM 788 OD1 ASN A 50 -8.247 9.232 8.950 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.474 11.241 8.384 1.00 0.00 N ATOM 0 H ASN A 50 -7.670 8.499 4.479 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.217 8.150 6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.780 8.870 6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.409 10.398 6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.539 11.580 9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.132 11.858 7.647 1.00 0.00 H new ATOM 796 N GLN A 51 -11.192 9.625 6.248 1.00 0.00 N ATOM 797 CA GLN A 51 -12.304 10.553 6.058 1.00 0.00 C ATOM 798 C GLN A 51 -12.416 11.057 4.603 1.00 0.00 C ATOM 799 O GLN A 51 -12.361 12.260 4.345 1.00 0.00 O ATOM 800 CB GLN A 51 -12.150 11.701 7.076 1.00 0.00 C ATOM 801 CG GLN A 51 -11.987 11.187 8.515 1.00 0.00 C ATOM 802 CD GLN A 51 -11.776 12.318 9.509 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.017 13.256 9.265 1.00 0.00 O ATOM 804 NE2 GLN A 51 -12.427 12.223 10.650 1.00 0.00 N ATOM 0 H GLN A 51 -11.442 8.806 6.802 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.245 10.033 6.240 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.284 12.307 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.023 12.351 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.872 10.618 8.798 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.140 10.503 8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.048 11.432 10.818 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.310 12.941 11.365 1.00 0.00 H new ATOM 813 N GLY A 52 -12.483 10.139 3.630 1.00 0.00 N ATOM 814 CA GLY A 52 -12.793 10.479 2.244 1.00 0.00 C ATOM 815 C GLY A 52 -11.656 11.110 1.438 1.00 0.00 C ATOM 816 O GLY A 52 -11.892 11.556 0.313 1.00 0.00 O ATOM 0 H GLY A 52 -12.324 9.144 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.115 9.573 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.639 11.166 2.240 1.00 0.00 H new ATOM 820 N THR A 53 -10.427 11.143 1.966 1.00 0.00 N ATOM 821 CA THR A 53 -9.226 11.601 1.263 1.00 0.00 C ATOM 822 C THR A 53 -8.818 10.651 0.157 1.00 0.00 C ATOM 823 O THR A 53 -9.570 9.725 -0.175 1.00 0.00 O ATOM 824 CB THR A 53 -8.096 11.690 2.277 1.00 0.00 C ATOM 825 OG1 THR A 53 -7.093 12.605 1.916 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.538 10.343 2.699 1.00 0.00 C ATOM 0 H THR A 53 -10.237 10.843 2.922 1.00 0.00 H new ATOM 0 HA THR A 53 -9.437 12.568 0.807 1.00 0.00 H new ATOM 0 HB THR A 53 -8.565 12.098 3.172 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.581 12.860 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.737 10.492 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.330 9.747 3.152 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.146 9.822 1.826 1.00 0.00 H new ATOM 834 N PHE A 54 -7.576 10.801 -0.331 1.00 0.00 N ATOM 835 CA PHE A 54 -6.950 9.757 -1.100 1.00 0.00 C ATOM 836 C PHE A 54 -5.494 9.359 -0.752 1.00 0.00 C ATOM 837 O PHE A 54 -4.819 8.747 -1.569 1.00 0.00 O ATOM 838 CB PHE A 54 -7.164 10.175 -2.572 1.00 0.00 C ATOM 839 CG PHE A 54 -6.630 9.291 -3.692 1.00 0.00 C ATOM 840 CD1 PHE A 54 -5.324 9.478 -4.199 1.00 0.00 C ATOM 841 CD2 PHE A 54 -7.446 8.289 -4.242 1.00 0.00 C ATOM 842 CE1 PHE A 54 -4.808 8.587 -5.155 1.00 0.00 C ATOM 843 CE2 PHE A 54 -6.930 7.392 -5.197 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.604 7.534 -5.639 1.00 0.00 C ATOM 0 H PHE A 54 -7.004 11.635 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.422 8.807 -0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.237 10.284 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.721 11.163 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.723 10.305 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.477 8.206 -3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.799 8.711 -5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.550 6.599 -5.588 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.195 6.833 -6.352 1.00 0.00 H new ATOM 854 N ILE A 55 -4.989 9.616 0.452 1.00 0.00 N ATOM 855 CA ILE A 55 -3.577 9.462 0.845 1.00 0.00 C ATOM 856 C ILE A 55 -3.024 8.007 0.759 1.00 0.00 C ATOM 857 O ILE A 55 -1.961 7.755 1.318 1.00 0.00 O ATOM 858 CB ILE A 55 -3.322 10.104 2.252 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.026 11.465 2.467 1.00 0.00 C ATOM 860 CG2 ILE A 55 -1.816 10.282 2.528 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.009 12.049 3.891 1.00 0.00 C ATOM 0 H ILE A 55 -5.572 9.952 1.219 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.004 10.008 0.096 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.758 9.394 2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.566 12.192 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.066 11.360 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.677 10.730 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.323 9.310 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.381 10.932 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.536 13.003 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.501 11.356 4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.978 12.202 4.209 1.00 0.00 H new ATOM 873 N ILE A 56 -3.691 7.002 0.172 1.00 0.00 N ATOM 874 CA ILE A 56 -3.165 5.650 -0.012 1.00 0.00 C ATOM 875 C ILE A 56 -3.985 4.845 -1.039 1.00 0.00 C ATOM 876 O ILE A 56 -5.215 4.882 -1.001 1.00 0.00 O ATOM 877 CB ILE A 56 -3.157 4.985 1.379 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.442 3.630 1.374 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.544 4.914 2.027 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.821 3.434 2.746 1.00 0.00 C ATOM 0 H ILE A 56 -4.636 7.115 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.156 5.683 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.570 5.646 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.145 2.827 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.676 3.604 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.466 4.435 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.941 5.922 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.213 4.335 1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.302 2.476 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.111 4.237 2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.603 3.448 3.505 1.00 0.00 H new ATOM 892 N GLY A 57 -3.328 4.030 -1.875 1.00 0.00 N ATOM 893 CA GLY A 57 -3.953 3.006 -2.713 1.00 0.00 C ATOM 894 C GLY A 57 -2.907 2.287 -3.573 1.00 0.00 C ATOM 895 O GLY A 57 -1.989 2.940 -4.089 1.00 0.00 O ATOM 0 H GLY A 57 -2.315 4.069 -1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.471 2.283 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.704 3.465 -3.356 1.00 0.00 H new ATOM 899 N PHE A 58 -3.029 0.962 -3.743 1.00 0.00 N ATOM 900 CA PHE A 58 -2.061 0.112 -4.447 1.00 0.00 C ATOM 901 C PHE A 58 -2.750 -0.813 -5.442 1.00 0.00 C ATOM 902 O PHE A 58 -3.968 -0.964 -5.406 1.00 0.00 O ATOM 903 CB PHE A 58 -1.207 -0.715 -3.459 1.00 0.00 C ATOM 904 CG PHE A 58 -1.917 -1.614 -2.466 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.284 -2.926 -2.800 1.00 0.00 C ATOM 906 CD2 PHE A 58 -2.091 -1.179 -1.151 1.00 0.00 C ATOM 907 CE1 PHE A 58 -2.892 -3.765 -1.845 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.641 -2.032 -0.176 1.00 0.00 C ATOM 909 CZ PHE A 58 -3.057 -3.328 -0.521 1.00 0.00 C ATOM 0 H PHE A 58 -3.827 0.439 -3.384 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.399 0.779 -4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.531 -1.338 -4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.588 -0.019 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.099 -3.296 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.800 -0.175 -0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.233 -4.749 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.744 -1.688 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.497 -3.978 0.220 1.00 0.00 H new ATOM 919 N SER A 59 -1.976 -1.496 -6.293 1.00 0.00 N ATOM 920 CA SER A 59 -2.453 -2.733 -6.895 1.00 0.00 C ATOM 921 C SER A 59 -1.282 -3.647 -7.249 1.00 0.00 C ATOM 922 O SER A 59 -0.145 -3.185 -7.395 1.00 0.00 O ATOM 923 CB SER A 59 -3.368 -2.439 -8.094 1.00 0.00 C ATOM 924 OG SER A 59 -2.963 -1.344 -8.902 1.00 0.00 O ATOM 0 H SER A 59 -1.036 -1.216 -6.572 1.00 0.00 H new ATOM 0 HA SER A 59 -3.060 -3.271 -6.167 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.423 -3.331 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.375 -2.246 -7.725 1.00 0.00 H new ATOM 0 HG SER A 59 -3.598 -1.229 -9.640 1.00 0.00 H new ATOM 930 N THR A 60 -1.550 -4.944 -7.442 1.00 0.00 N ATOM 931 CA THR A 60 -0.565 -5.885 -7.960 1.00 0.00 C ATOM 932 C THR A 60 -0.118 -5.408 -9.343 1.00 0.00 C ATOM 933 O THR A 60 -0.867 -4.713 -10.048 1.00 0.00 O ATOM 934 CB THR A 60 -1.131 -7.319 -7.992 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.274 -7.405 -8.823 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.528 -7.820 -6.600 1.00 0.00 C ATOM 0 H THR A 60 -2.457 -5.365 -7.242 1.00 0.00 H new ATOM 0 HA THR A 60 0.303 -5.917 -7.302 1.00 0.00 H new ATOM 0 HB THR A 60 -0.328 -7.942 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.040 -6.996 -8.369 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.921 -8.834 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.653 -7.818 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.293 -7.165 -6.182 1.00 0.00 H new ATOM 944 N SER A 61 1.094 -5.757 -9.749 1.00 0.00 N ATOM 945 CA SER A 61 1.605 -5.461 -11.068 1.00 0.00 C ATOM 946 C SER A 61 2.490 -6.625 -11.515 1.00 0.00 C ATOM 947 O SER A 61 2.790 -7.550 -10.759 1.00 0.00 O ATOM 948 CB SER A 61 2.348 -4.123 -11.035 1.00 0.00 C ATOM 949 OG SER A 61 2.652 -3.678 -12.340 1.00 0.00 O ATOM 0 H SER A 61 1.755 -6.261 -9.158 1.00 0.00 H new ATOM 0 HA SER A 61 0.800 -5.357 -11.795 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.738 -3.377 -10.526 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.268 -4.228 -10.460 1.00 0.00 H new ATOM 0 HG SER A 61 3.601 -3.439 -12.391 1.00 0.00 H new ATOM 955 N LYS A 62 2.878 -6.594 -12.786 1.00 0.00 N ATOM 956 CA LYS A 62 3.285 -7.785 -13.523 1.00 0.00 C ATOM 957 C LYS A 62 4.523 -8.477 -12.958 1.00 0.00 C ATOM 958 O LYS A 62 4.707 -9.657 -13.238 1.00 0.00 O ATOM 959 CB LYS A 62 3.456 -7.422 -15.010 1.00 0.00 C ATOM 960 CG LYS A 62 2.250 -7.904 -15.825 1.00 0.00 C ATOM 961 CD LYS A 62 2.087 -7.154 -17.159 1.00 0.00 C ATOM 962 CE LYS A 62 0.594 -6.972 -17.439 1.00 0.00 C ATOM 963 NZ LYS A 62 0.303 -6.383 -18.765 1.00 0.00 N ATOM 0 H LYS A 62 2.919 -5.736 -13.337 1.00 0.00 H new ATOM 0 HA LYS A 62 2.492 -8.524 -13.412 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.566 -6.343 -15.116 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.368 -7.875 -15.398 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.356 -8.970 -16.025 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.344 -7.780 -15.232 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.583 -6.185 -17.111 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.558 -7.714 -17.967 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.099 -7.940 -17.365 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.164 -6.335 -16.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.726 -6.289 -18.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.746 -5.445 -18.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.684 -7.000 -19.510 1.00 0.00 H new ATOM 977 N HIS A 63 5.365 -7.776 -12.195 1.00 0.00 N ATOM 978 CA HIS A 63 6.518 -8.375 -11.527 1.00 0.00 C ATOM 979 C HIS A 63 6.877 -7.631 -10.224 1.00 0.00 C ATOM 980 O HIS A 63 7.977 -7.787 -9.687 1.00 0.00 O ATOM 981 CB HIS A 63 7.685 -8.448 -12.528 1.00 0.00 C ATOM 982 CG HIS A 63 8.331 -9.807 -12.578 1.00 0.00 C ATOM 983 ND1 HIS A 63 9.581 -10.129 -12.102 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.796 -10.929 -13.154 1.00 0.00 C ATOM 985 CE1 HIS A 63 9.810 -11.416 -12.413 1.00 0.00 C ATOM 986 NE2 HIS A 63 8.760 -11.943 -13.072 1.00 0.00 N ATOM 0 H HIS A 63 5.264 -6.775 -12.024 1.00 0.00 H new ATOM 0 HA HIS A 63 6.276 -9.390 -11.211 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.321 -8.188 -13.522 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.435 -7.705 -12.258 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.812 -11.016 -13.591 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.713 -11.955 -12.168 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.682 -12.892 -13.439 1.00 0.00 H new ATOM 994 N HIS A 64 5.971 -6.779 -9.735 1.00 0.00 N ATOM 995 CA HIS A 64 6.135 -5.932 -8.558 1.00 0.00 C ATOM 996 C HIS A 64 4.759 -5.566 -7.989 1.00 0.00 C ATOM 997 O HIS A 64 3.739 -5.771 -8.648 1.00 0.00 O ATOM 998 CB HIS A 64 6.943 -4.661 -8.921 1.00 0.00 C ATOM 999 CG HIS A 64 6.683 -4.097 -10.293 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.464 -4.285 -11.411 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.632 -3.304 -10.653 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.884 -3.633 -12.429 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.752 -3.040 -12.021 1.00 0.00 N ATOM 0 H HIS A 64 5.058 -6.658 -10.174 1.00 0.00 H new ATOM 0 HA HIS A 64 6.691 -6.477 -7.795 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.724 -3.889 -8.183 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.005 -4.891 -8.837 1.00 0.00 H new ATOM 0 HD1 HIS A 64 8.329 -4.824 -11.457 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.850 -2.946 -10.000 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.273 -3.591 -13.436 1.00 0.00 H new ATOM 1011 N LEU A 65 4.715 -4.970 -6.797 1.00 0.00 N ATOM 1012 CA LEU A 65 3.538 -4.276 -6.257 1.00 0.00 C ATOM 1013 C LEU A 65 3.805 -2.773 -6.388 1.00 0.00 C ATOM 1014 O LEU A 65 4.958 -2.369 -6.233 1.00 0.00 O ATOM 1015 CB LEU A 65 3.350 -4.693 -4.782 1.00 0.00 C ATOM 1016 CG LEU A 65 2.137 -4.053 -4.072 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.815 -4.647 -4.550 1.00 0.00 C ATOM 1018 CD2 LEU A 65 2.203 -4.249 -2.557 1.00 0.00 C ATOM 0 H LEU A 65 5.514 -4.954 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 65 2.625 -4.531 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.248 -5.777 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.253 -4.435 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 65 2.180 -2.992 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.011 -4.167 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.708 -4.481 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.802 -5.718 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.333 -3.785 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.212 -5.315 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.111 -3.787 -2.170 1.00 0.00 H new ATOM 1030 N SER A 66 2.795 -1.936 -6.657 1.00 0.00 N ATOM 1031 CA SER A 66 2.930 -0.475 -6.623 1.00 0.00 C ATOM 1032 C SER A 66 2.283 0.073 -5.353 1.00 0.00 C ATOM 1033 O SER A 66 1.067 -0.051 -5.221 1.00 0.00 O ATOM 1034 CB SER A 66 2.253 0.175 -7.843 1.00 0.00 C ATOM 1035 OG SER A 66 1.123 -0.527 -8.334 1.00 0.00 O ATOM 0 H SER A 66 1.858 -2.255 -6.905 1.00 0.00 H new ATOM 0 HA SER A 66 3.993 -0.236 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.948 1.187 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.986 0.263 -8.645 1.00 0.00 H new ATOM 0 HG SER A 66 0.751 -0.050 -9.105 1.00 0.00 H new ATOM 1041 N VAL A 67 3.021 0.712 -4.444 1.00 0.00 N ATOM 1042 CA VAL A 67 2.461 1.333 -3.234 1.00 0.00 C ATOM 1043 C VAL A 67 2.968 2.782 -3.171 1.00 0.00 C ATOM 1044 O VAL A 67 4.076 3.069 -3.625 1.00 0.00 O ATOM 1045 CB VAL A 67 2.879 0.529 -1.986 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.207 1.073 -0.721 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.560 -0.968 -2.086 1.00 0.00 C ATOM 0 H VAL A 67 4.033 0.816 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 67 1.371 1.333 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 67 3.961 0.646 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.523 0.484 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.495 2.114 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.124 1.008 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.881 -1.470 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.486 -1.103 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.085 -1.396 -2.940 1.00 0.00 H new ATOM 1057 N SER A 68 2.166 3.698 -2.621 1.00 0.00 N ATOM 1058 CA SER A 68 2.525 5.088 -2.338 1.00 0.00 C ATOM 1059 C SER A 68 1.433 5.668 -1.432 1.00 0.00 C ATOM 1060 O SER A 68 0.402 5.003 -1.234 1.00 0.00 O ATOM 1061 CB SER A 68 2.608 5.864 -3.658 1.00 0.00 C ATOM 1062 OG SER A 68 3.272 7.114 -3.564 1.00 0.00 O ATOM 0 H SER A 68 1.207 3.480 -2.349 1.00 0.00 H new ATOM 0 HA SER A 68 3.493 5.158 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.123 5.248 -4.395 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.598 6.031 -4.031 1.00 0.00 H new ATOM 0 HG SER A 68 3.474 7.446 -4.464 1.00 0.00 H new ATOM 1068 N PRO A 69 1.657 6.826 -0.787 1.00 0.00 N ATOM 1069 CA PRO A 69 0.542 7.629 -0.307 1.00 0.00 C ATOM 1070 C PRO A 69 0.110 8.726 -1.302 1.00 0.00 C ATOM 1071 O PRO A 69 -1.002 8.668 -1.816 1.00 0.00 O ATOM 1072 CB PRO A 69 1.041 8.227 1.018 1.00 0.00 C ATOM 1073 CG PRO A 69 2.563 8.257 0.892 1.00 0.00 C ATOM 1074 CD PRO A 69 2.844 7.029 0.031 1.00 0.00 C ATOM 0 HA PRO A 69 -0.355 7.022 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.639 9.228 1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.727 7.620 1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.914 9.174 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.053 8.193 1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.725 7.184 -0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.043 6.155 0.652 1.00 0.00 H new ATOM 1082 N GLU A 70 1.010 9.639 -1.699 1.00 0.00 N ATOM 1083 CA GLU A 70 0.714 10.811 -2.525 1.00 0.00 C ATOM 1084 C GLU A 70 1.943 11.091 -3.402 1.00 0.00 C ATOM 1085 O GLU A 70 2.082 10.547 -4.495 1.00 0.00 O ATOM 1086 CB GLU A 70 0.442 12.037 -1.626 1.00 0.00 C ATOM 1087 CG GLU A 70 -0.864 12.019 -0.839 1.00 0.00 C ATOM 1088 CD GLU A 70 -0.904 13.205 0.138 1.00 0.00 C ATOM 1089 OE1 GLU A 70 0.027 13.332 0.966 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -1.818 14.060 0.046 1.00 0.00 O ATOM 0 H GLU A 70 1.995 9.576 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.167 10.624 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.266 12.133 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.453 12.930 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.711 12.071 -1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.955 11.082 -0.290 1.00 0.00 H new ATOM 1097 N GLU A 71 2.904 11.842 -2.854 1.00 0.00 N ATOM 1098 CA GLU A 71 4.175 12.245 -3.449 1.00 0.00 C ATOM 1099 C GLU A 71 5.291 12.278 -2.387 1.00 0.00 C ATOM 1100 O GLU A 71 6.448 12.021 -2.723 1.00 0.00 O ATOM 1101 CB GLU A 71 4.012 13.605 -4.159 1.00 0.00 C ATOM 1102 CG GLU A 71 3.678 14.746 -3.184 1.00 0.00 C ATOM 1103 CD GLU A 71 3.370 16.095 -3.846 1.00 0.00 C ATOM 1104 OE1 GLU A 71 3.833 16.342 -4.986 1.00 0.00 O ATOM 1105 OE2 GLU A 71 2.729 16.934 -3.167 1.00 0.00 O ATOM 0 H GLU A 71 2.802 12.211 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 71 4.471 11.509 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.932 13.845 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.222 13.528 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.819 14.449 -2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.517 14.877 -2.500 1.00 0.00 H new ATOM 1112 N ILE A 72 4.978 12.547 -1.107 1.00 0.00 N ATOM 1113 CA ILE A 72 5.992 12.700 -0.059 1.00 0.00 C ATOM 1114 C ILE A 72 6.792 11.415 0.134 1.00 0.00 C ATOM 1115 O ILE A 72 8.022 11.466 0.229 1.00 0.00 O ATOM 1116 CB ILE A 72 5.370 13.226 1.258 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.498 13.689 2.206 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.432 12.224 1.968 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.023 14.334 3.507 1.00 0.00 C ATOM 0 H ILE A 72 4.020 12.663 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 72 6.703 13.458 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 72 4.730 14.065 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.122 12.830 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.130 14.401 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.042 12.675 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.604 11.969 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.988 11.320 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.886 14.625 4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.425 15.216 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.418 13.621 4.067 1.00 0.00 H new ATOM 1131 N GLY A 73 6.098 10.270 0.109 1.00 0.00 N ATOM 1132 CA GLY A 73 6.647 8.922 0.226 1.00 0.00 C ATOM 1133 C GLY A 73 7.748 8.638 -0.792 1.00 0.00 C ATOM 1134 O GLY A 73 8.548 7.726 -0.602 1.00 0.00 O ATOM 0 H GLY A 73 5.084 10.264 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.044 8.783 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.844 8.196 0.097 1.00 0.00 H new ATOM 1138 N ILE A 74 7.795 9.419 -1.869 1.00 0.00 N ATOM 1139 CA ILE A 74 8.660 9.239 -3.023 1.00 0.00 C ATOM 1140 C ILE A 74 9.537 10.483 -3.213 1.00 0.00 C ATOM 1141 O ILE A 74 10.356 10.530 -4.132 1.00 0.00 O ATOM 1142 CB ILE A 74 7.771 8.949 -4.248 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.674 7.901 -3.953 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.594 8.473 -5.451 1.00 0.00 C ATOM 1145 CD1 ILE A 74 7.176 6.503 -3.585 1.00 0.00 C ATOM 0 H ILE A 74 7.195 10.239 -1.961 1.00 0.00 H new ATOM 0 HA ILE A 74 9.337 8.397 -2.882 1.00 0.00 H new ATOM 0 HB ILE A 74 7.292 9.899 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.053 8.271 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.031 7.818 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.929 8.280 -6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.314 9.243 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.124 7.557 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.325 5.848 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.770 6.102 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.792 6.562 -2.688 1.00 0.00 H new ATOM 1157 N SER A 75 9.384 11.489 -2.354 1.00 0.00 N ATOM 1158 CA SER A 75 10.216 12.667 -2.357 1.00 0.00 C ATOM 1159 C SER A 75 11.281 12.462 -1.277 1.00 0.00 C ATOM 1160 O SER A 75 12.388 12.028 -1.607 1.00 0.00 O ATOM 1161 CB SER A 75 9.336 13.908 -2.190 1.00 0.00 C ATOM 1162 OG SER A 75 8.351 13.933 -3.219 1.00 0.00 O ATOM 0 H SER A 75 8.665 11.498 -1.630 1.00 0.00 H new ATOM 0 HA SER A 75 10.742 12.828 -3.298 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.855 13.897 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.947 14.809 -2.235 1.00 0.00 H new ATOM 0 HG SER A 75 7.665 13.259 -3.032 1.00 0.00 H new ATOM 1168 N GLN A 76 10.943 12.664 0.007 1.00 0.00 N ATOM 1169 CA GLN A 76 11.901 12.548 1.096 1.00 0.00 C ATOM 1170 C GLN A 76 12.125 11.077 1.414 1.00 0.00 C ATOM 1171 O GLN A 76 13.265 10.615 1.447 1.00 0.00 O ATOM 1172 CB GLN A 76 11.471 13.349 2.343 1.00 0.00 C ATOM 1173 CG GLN A 76 10.042 13.118 2.883 1.00 0.00 C ATOM 1174 CD GLN A 76 9.978 13.148 4.406 1.00 0.00 C ATOM 1175 OE1 GLN A 76 9.499 14.101 5.006 1.00 0.00 O ATOM 1176 NE2 GLN A 76 10.465 12.122 5.091 1.00 0.00 N ATOM 0 H GLN A 76 10.000 12.911 0.309 1.00 0.00 H new ATOM 0 HA GLN A 76 12.845 12.988 0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.174 13.125 3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.576 14.409 2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.378 13.882 2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.674 12.156 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.866 11.324 4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.439 12.131 6.111 1.00 0.00 H new ATOM 1185 N PHE A 77 11.036 10.321 1.618 1.00 0.00 N ATOM 1186 CA PHE A 77 11.171 8.964 2.128 1.00 0.00 C ATOM 1187 C PHE A 77 11.891 8.051 1.122 1.00 0.00 C ATOM 1188 O PHE A 77 12.429 7.017 1.514 1.00 0.00 O ATOM 1189 CB PHE A 77 9.840 8.365 2.590 1.00 0.00 C ATOM 1190 CG PHE A 77 9.080 9.108 3.685 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.138 10.086 3.332 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.235 8.775 5.047 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.379 10.742 4.308 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.477 9.439 6.035 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.562 10.437 5.657 1.00 0.00 C ATOM 0 H PHE A 77 10.078 10.623 1.441 1.00 0.00 H new ATOM 0 HA PHE A 77 11.796 9.031 3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.187 8.285 1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.030 7.351 2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.996 10.337 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.938 8.007 5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.651 11.485 4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.599 9.182 7.077 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.000 10.968 6.411 1.00 0.00 H new ATOM 1205 N ALA A 78 11.975 8.448 -0.155 1.00 0.00 N ATOM 1206 CA ALA A 78 12.694 7.712 -1.184 1.00 0.00 C ATOM 1207 C ALA A 78 14.162 7.456 -0.831 1.00 0.00 C ATOM 1208 O ALA A 78 14.680 6.402 -1.206 1.00 0.00 O ATOM 1209 CB ALA A 78 12.590 8.450 -2.515 1.00 0.00 C ATOM 0 H ALA A 78 11.537 9.302 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 78 12.222 6.733 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.130 7.895 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.542 8.538 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.024 9.445 -2.414 1.00 0.00 H new ATOM 1215 N ASP A 79 14.818 8.365 -0.102 1.00 0.00 N ATOM 1216 CA ASP A 79 16.216 8.187 0.307 1.00 0.00 C ATOM 1217 C ASP A 79 16.337 7.003 1.265 1.00 0.00 C ATOM 1218 O ASP A 79 17.252 6.180 1.174 1.00 0.00 O ATOM 1219 CB ASP A 79 16.742 9.469 0.975 1.00 0.00 C ATOM 1220 CG ASP A 79 18.226 9.352 1.339 1.00 0.00 C ATOM 1221 OD1 ASP A 79 19.084 9.527 0.444 1.00 0.00 O ATOM 1222 OD2 ASP A 79 18.561 9.071 2.514 1.00 0.00 O ATOM 0 H ASP A 79 14.400 9.238 0.219 1.00 0.00 H new ATOM 0 HA ASP A 79 16.818 7.984 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.598 10.315 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.162 9.675 1.875 1.00 0.00 H new ATOM 1227 N ALA A 80 15.377 6.875 2.179 1.00 0.00 N ATOM 1228 CA ALA A 80 15.335 5.789 3.139 1.00 0.00 C ATOM 1229 C ALA A 80 15.015 4.454 2.461 1.00 0.00 C ATOM 1230 O ALA A 80 15.620 3.440 2.817 1.00 0.00 O ATOM 1231 CB ALA A 80 14.339 6.154 4.236 1.00 0.00 C ATOM 0 H ALA A 80 14.602 7.532 2.270 1.00 0.00 H new ATOM 0 HA ALA A 80 16.316 5.652 3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.293 5.348 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.659 7.073 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.352 6.302 3.797 1.00 0.00 H new ATOM 1237 N ILE A 81 14.114 4.455 1.472 1.00 0.00 N ATOM 1238 CA ILE A 81 13.818 3.302 0.616 1.00 0.00 C ATOM 1239 C ILE A 81 15.111 2.880 -0.110 1.00 0.00 C ATOM 1240 O ILE A 81 15.451 1.694 -0.137 1.00 0.00 O ATOM 1241 CB ILE A 81 12.661 3.655 -0.364 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.364 4.027 0.389 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.339 2.515 -1.343 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.265 4.589 -0.525 1.00 0.00 C ATOM 0 H ILE A 81 13.557 5.278 1.240 1.00 0.00 H new ATOM 0 HA ILE A 81 13.477 2.453 1.209 1.00 0.00 H new ATOM 0 HB ILE A 81 13.022 4.514 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.984 3.143 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.598 4.763 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.525 2.819 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.222 2.288 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.041 1.628 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.384 4.828 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.627 5.492 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.003 3.846 -1.278 1.00 0.00 H new ATOM 1256 N ALA A 82 15.843 3.852 -0.672 1.00 0.00 N ATOM 1257 CA ALA A 82 17.044 3.640 -1.472 1.00 0.00 C ATOM 1258 C ALA A 82 18.119 2.893 -0.694 1.00 0.00 C ATOM 1259 O ALA A 82 18.686 1.932 -1.212 1.00 0.00 O ATOM 1260 CB ALA A 82 17.599 4.983 -1.947 1.00 0.00 C ATOM 0 H ALA A 82 15.602 4.838 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 82 16.763 3.029 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.496 4.816 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.850 5.492 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.848 5.600 -1.083 1.00 0.00 H new ATOM 1266 N GLN A 83 18.390 3.334 0.536 1.00 0.00 N ATOM 1267 CA GLN A 83 19.411 2.750 1.399 1.00 0.00 C ATOM 1268 C GLN A 83 19.088 1.304 1.772 1.00 0.00 C ATOM 1269 O GLN A 83 20.015 0.530 2.024 1.00 0.00 O ATOM 1270 CB GLN A 83 19.532 3.583 2.674 1.00 0.00 C ATOM 1271 CG GLN A 83 20.326 4.879 2.461 1.00 0.00 C ATOM 1272 CD GLN A 83 20.015 5.915 3.536 1.00 0.00 C ATOM 1273 OE1 GLN A 83 20.788 6.172 4.452 1.00 0.00 O ATOM 1274 NE2 GLN A 83 18.851 6.533 3.450 1.00 0.00 N ATOM 0 H GLN A 83 17.898 4.118 0.964 1.00 0.00 H new ATOM 0 HA GLN A 83 20.352 2.751 0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.535 3.828 3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 83 20.017 2.988 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.393 4.657 2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 83 20.092 5.292 1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.213 6.314 2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.590 7.229 4.148 1.00 0.00 H new ATOM 1283 N ALA A 84 17.806 0.930 1.856 1.00 0.00 N ATOM 1284 CA ALA A 84 17.446 -0.461 2.098 1.00 0.00 C ATOM 1285 C ALA A 84 17.822 -1.308 0.880 1.00 0.00 C ATOM 1286 O ALA A 84 18.343 -2.415 1.022 1.00 0.00 O ATOM 1287 CB ALA A 84 15.951 -0.577 2.405 1.00 0.00 C ATOM 0 H ALA A 84 17.014 1.566 1.761 1.00 0.00 H new ATOM 0 HA ALA A 84 17.996 -0.831 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.696 -1.622 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.715 0.011 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.376 -0.203 1.558 1.00 0.00 H new ATOM 1293 N GLY A 85 17.582 -0.749 -0.309 1.00 0.00 N ATOM 1294 CA GLY A 85 17.934 -1.329 -1.591 1.00 0.00 C ATOM 1295 C GLY A 85 16.819 -1.210 -2.624 1.00 0.00 C ATOM 1296 O GLY A 85 17.018 -1.633 -3.765 1.00 0.00 O ATOM 0 H GLY A 85 17.119 0.155 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.829 -0.838 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.182 -2.381 -1.452 1.00 0.00 H new ATOM 1300 N TYR A 86 15.655 -0.655 -2.275 1.00 0.00 N ATOM 1301 CA TYR A 86 14.532 -0.571 -3.197 1.00 0.00 C ATOM 1302 C TYR A 86 14.534 0.758 -3.954 1.00 0.00 C ATOM 1303 O TYR A 86 15.071 1.763 -3.480 1.00 0.00 O ATOM 1304 CB TYR A 86 13.217 -0.803 -2.444 1.00 0.00 C ATOM 1305 CG TYR A 86 13.026 -2.212 -1.915 1.00 0.00 C ATOM 1306 CD1 TYR A 86 13.073 -3.300 -2.805 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.790 -2.442 -0.543 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.926 -4.611 -2.329 1.00 0.00 C ATOM 1309 CE2 TYR A 86 12.622 -3.756 -0.061 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.709 -4.843 -0.957 1.00 0.00 C ATOM 1311 OH TYR A 86 12.635 -6.124 -0.528 1.00 0.00 O ATOM 0 H TYR A 86 15.471 -0.257 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 86 14.633 -1.356 -3.946 1.00 0.00 H new ATOM 0 HB2 TYR A 86 13.166 -0.106 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.387 -0.564 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.223 -3.125 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.738 -1.608 0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.979 -5.443 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.428 -3.930 0.987 1.00 0.00 H new ATOM 0 HH TYR A 86 11.860 -6.227 0.063 1.00 0.00 H new ATOM 1321 N SER A 87 13.873 0.776 -5.109 1.00 0.00 N ATOM 1322 CA SER A 87 13.802 1.933 -5.993 1.00 0.00 C ATOM 1323 C SER A 87 12.349 2.390 -6.164 1.00 0.00 C ATOM 1324 O SER A 87 11.407 1.598 -6.023 1.00 0.00 O ATOM 1325 CB SER A 87 14.444 1.552 -7.332 1.00 0.00 C ATOM 1326 OG SER A 87 15.797 1.180 -7.143 1.00 0.00 O ATOM 0 H SER A 87 13.361 -0.032 -5.463 1.00 0.00 H new ATOM 0 HA SER A 87 14.346 2.775 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.893 0.727 -7.785 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.385 2.393 -8.023 1.00 0.00 H new ATOM 0 HG SER A 87 16.193 0.938 -8.006 1.00 0.00 H new ATOM 1332 N ALA A 88 12.152 3.663 -6.520 1.00 0.00 N ATOM 1333 CA ALA A 88 10.839 4.258 -6.736 1.00 0.00 C ATOM 1334 C ALA A 88 10.756 4.893 -8.128 1.00 0.00 C ATOM 1335 O ALA A 88 11.774 5.047 -8.811 1.00 0.00 O ATOM 1336 CB ALA A 88 10.555 5.272 -5.627 1.00 0.00 C ATOM 0 H ALA A 88 12.920 4.318 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 88 10.074 3.483 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.574 5.719 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.573 4.769 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.316 6.052 -5.644 1.00 0.00 H new ATOM 1342 N THR A 89 9.546 5.217 -8.578 1.00 0.00 N ATOM 1343 CA THR A 89 9.282 6.081 -9.725 1.00 0.00 C ATOM 1344 C THR A 89 9.345 7.537 -9.227 1.00 0.00 C ATOM 1345 O THR A 89 9.826 7.799 -8.127 1.00 0.00 O ATOM 1346 CB THR A 89 7.927 5.710 -10.376 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.840 6.126 -9.579 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.772 4.206 -10.632 1.00 0.00 C ATOM 0 H THR A 89 8.693 4.873 -8.138 1.00 0.00 H new ATOM 0 HA THR A 89 10.027 5.951 -10.510 1.00 0.00 H new ATOM 0 HB THR A 89 7.923 6.232 -11.333 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.999 5.879 -10.018 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.802 4.013 -11.089 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.563 3.868 -11.302 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.842 3.667 -9.687 1.00 0.00 H new ATOM 1356 N LYS A 90 8.836 8.495 -10.004 1.00 0.00 N ATOM 1357 CA LYS A 90 8.556 9.841 -9.511 1.00 0.00 C ATOM 1358 C LYS A 90 7.486 9.858 -8.420 1.00 0.00 C ATOM 1359 O LYS A 90 7.478 10.801 -7.625 1.00 0.00 O ATOM 1360 CB LYS A 90 8.073 10.702 -10.684 1.00 0.00 C ATOM 1361 CG LYS A 90 9.211 11.341 -11.481 1.00 0.00 C ATOM 1362 CD LYS A 90 9.660 12.673 -10.873 1.00 0.00 C ATOM 1363 CE LYS A 90 10.920 13.137 -11.601 1.00 0.00 C ATOM 1364 NZ LYS A 90 11.104 14.601 -11.544 1.00 0.00 N ATOM 0 H LYS A 90 8.608 8.359 -10.989 1.00 0.00 H new ATOM 0 HA LYS A 90 9.476 10.231 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.472 10.086 -11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.421 11.488 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.058 10.655 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.887 11.503 -12.509 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.871 13.419 -10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.859 12.555 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.789 12.648 -11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.870 12.821 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.973 14.862 -12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.289 15.071 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.180 14.903 -10.552 1.00 0.00 H new ATOM 1378 N GLY A 91 6.566 8.886 -8.412 1.00 0.00 N ATOM 1379 CA GLY A 91 5.258 9.034 -7.781 1.00 0.00 C ATOM 1380 C GLY A 91 4.769 7.823 -6.982 1.00 0.00 C ATOM 1381 O GLY A 91 3.845 7.965 -6.176 1.00 0.00 O ATOM 0 H GLY A 91 6.712 7.974 -8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.291 9.897 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.524 9.257 -8.555 1.00 0.00 H new ATOM 1385 N LEU A 92 5.382 6.640 -7.126 1.00 0.00 N ATOM 1386 CA LEU A 92 5.117 5.479 -6.275 1.00 0.00 C ATOM 1387 C LEU A 92 6.336 4.563 -6.202 1.00 0.00 C ATOM 1388 O LEU A 92 7.251 4.684 -7.015 1.00 0.00 O ATOM 1389 CB LEU A 92 3.829 4.759 -6.715 1.00 0.00 C ATOM 1390 CG LEU A 92 3.721 4.274 -8.166 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.501 2.987 -8.417 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.240 4.046 -8.464 1.00 0.00 C ATOM 0 H LEU A 92 6.083 6.464 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 92 4.939 5.821 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.694 3.894 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.992 5.432 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 92 4.154 5.030 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.388 2.691 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.556 3.152 -8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.117 2.197 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.125 3.699 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.843 3.295 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.694 4.981 -8.333 1.00 0.00 H new ATOM 1404 N PHE A 93 6.382 3.650 -5.229 1.00 0.00 N ATOM 1405 CA PHE A 93 7.508 2.725 -5.075 1.00 0.00 C ATOM 1406 C PHE A 93 7.093 1.321 -5.499 1.00 0.00 C ATOM 1407 O PHE A 93 5.922 0.943 -5.384 1.00 0.00 O ATOM 1408 CB PHE A 93 8.154 2.809 -3.683 1.00 0.00 C ATOM 1409 CG PHE A 93 7.290 2.467 -2.483 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.983 1.126 -2.192 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.880 3.477 -1.590 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.279 0.805 -1.019 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.145 3.155 -0.439 1.00 0.00 C ATOM 1414 CZ PHE A 93 5.846 1.818 -0.150 1.00 0.00 C ATOM 0 H PHE A 93 5.647 3.531 -4.532 1.00 0.00 H new ATOM 0 HA PHE A 93 8.309 3.029 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.019 2.145 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.529 3.823 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.288 0.343 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.133 4.507 -1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.070 -0.228 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.810 3.939 0.224 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.285 1.568 0.738 1.00 0.00 H new ATOM 1424 N ARG A 94 8.044 0.565 -6.066 1.00 0.00 N ATOM 1425 CA ARG A 94 7.757 -0.668 -6.798 1.00 0.00 C ATOM 1426 C ARG A 94 8.672 -1.779 -6.331 1.00 0.00 C ATOM 1427 O ARG A 94 9.780 -1.939 -6.845 1.00 0.00 O ATOM 1428 CB ARG A 94 7.829 -0.444 -8.314 1.00 0.00 C ATOM 1429 CG ARG A 94 6.767 0.578 -8.750 1.00 0.00 C ATOM 1430 CD ARG A 94 6.013 0.139 -9.994 1.00 0.00 C ATOM 1431 NE ARG A 94 6.840 0.214 -11.211 1.00 0.00 N ATOM 1432 CZ ARG A 94 6.375 0.151 -12.466 1.00 0.00 C ATOM 1433 NH1 ARG A 94 5.088 -0.039 -12.727 1.00 0.00 N ATOM 1434 NH2 ARG A 94 7.208 0.286 -13.488 1.00 0.00 N ATOM 0 H ARG A 94 9.037 0.796 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 94 6.734 -0.976 -6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.822 -0.088 -8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.672 -1.388 -8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.059 0.732 -7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.247 1.538 -8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.662 -0.884 -9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.130 0.765 -10.120 1.00 0.00 H new ATOM 0 HE ARG A 94 7.847 0.323 -11.088 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.422 -0.142 -11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.765 -0.082 -13.693 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.202 0.438 -13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.855 0.238 -14.444 1.00 0.00 H new ATOM 1448 N ILE A 95 8.215 -2.527 -5.339 1.00 0.00 N ATOM 1449 CA ILE A 95 8.999 -3.588 -4.732 1.00 0.00 C ATOM 1450 C ILE A 95 8.879 -4.780 -5.685 1.00 0.00 C ATOM 1451 O ILE A 95 7.758 -5.046 -6.135 1.00 0.00 O ATOM 1452 CB ILE A 95 8.404 -3.956 -3.344 1.00 0.00 C ATOM 1453 CG1 ILE A 95 7.729 -2.789 -2.575 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.507 -4.553 -2.459 1.00 0.00 C ATOM 1455 CD1 ILE A 95 6.253 -2.560 -2.940 1.00 0.00 C ATOM 0 H ILE A 95 7.287 -2.414 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 95 10.037 -3.293 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 95 7.609 -4.671 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.800 -2.985 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.285 -1.872 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.092 -4.812 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.908 -5.449 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.306 -3.822 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.859 -1.727 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.172 -2.330 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.680 -3.460 -2.719 1.00 0.00 H new ATOM 1467 N PRO A 96 9.934 -5.577 -5.907 1.00 0.00 N ATOM 1468 CA PRO A 96 9.837 -6.793 -6.700 1.00 0.00 C ATOM 1469 C PRO A 96 9.142 -7.886 -5.894 1.00 0.00 C ATOM 1470 O PRO A 96 9.160 -7.881 -4.661 1.00 0.00 O ATOM 1471 CB PRO A 96 11.282 -7.173 -7.031 1.00 0.00 C ATOM 1472 CG PRO A 96 12.085 -6.581 -5.876 1.00 0.00 C ATOM 1473 CD PRO A 96 11.316 -5.305 -5.551 1.00 0.00 C ATOM 0 HA PRO A 96 9.249 -6.656 -7.608 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.408 -8.254 -7.093 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.595 -6.760 -7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.125 -7.258 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.115 -6.371 -6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.406 -5.052 -4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.706 -4.458 -6.116 1.00 0.00 H new ATOM 1481 N TRP A 97 8.564 -8.872 -6.579 1.00 0.00 N ATOM 1482 CA TRP A 97 8.004 -10.031 -5.888 1.00 0.00 C ATOM 1483 C TRP A 97 9.058 -10.948 -5.243 1.00 0.00 C ATOM 1484 O TRP A 97 8.707 -11.751 -4.378 1.00 0.00 O ATOM 1485 CB TRP A 97 7.095 -10.802 -6.840 1.00 0.00 C ATOM 1486 CG TRP A 97 5.824 -10.087 -7.196 1.00 0.00 C ATOM 1487 CD1 TRP A 97 5.363 -9.873 -8.447 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.795 -9.557 -6.305 1.00 0.00 C ATOM 1489 NE1 TRP A 97 4.168 -9.177 -8.397 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.777 -8.950 -7.097 1.00 0.00 C ATOM 1491 CE3 TRP A 97 4.589 -9.589 -4.910 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.648 -8.345 -6.527 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 3.446 -9.007 -4.328 1.00 0.00 C ATOM 1494 CH2 TRP A 97 2.484 -8.374 -5.133 1.00 0.00 C ATOM 0 H TRP A 97 8.472 -8.892 -7.595 1.00 0.00 H new ATOM 0 HA TRP A 97 7.420 -9.650 -5.050 1.00 0.00 H new ATOM 0 HB2 TRP A 97 7.646 -11.017 -7.756 1.00 0.00 H new ATOM 0 HB3 TRP A 97 6.844 -11.761 -6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.854 -10.197 -9.353 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.645 -8.872 -9.217 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.321 -10.068 -4.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.913 -7.862 -7.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.308 -9.048 -3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.620 -7.911 -4.680 1.00 0.00 H new ATOM 1505 N ASN A 98 10.333 -10.828 -5.626 1.00 0.00 N ATOM 1506 CA ASN A 98 11.417 -11.652 -5.072 1.00 0.00 C ATOM 1507 C ASN A 98 11.627 -11.412 -3.577 1.00 0.00 C ATOM 1508 O ASN A 98 11.900 -12.363 -2.841 1.00 0.00 O ATOM 1509 CB ASN A 98 12.738 -11.393 -5.813 1.00 0.00 C ATOM 1510 CG ASN A 98 13.751 -12.512 -5.572 1.00 0.00 C ATOM 1511 OD1 ASN A 98 13.672 -13.554 -6.216 1.00 0.00 O ATOM 1512 ND2 ASN A 98 14.715 -12.348 -4.674 1.00 0.00 N ATOM 0 H ASN A 98 10.645 -10.158 -6.329 1.00 0.00 H new ATOM 0 HA ASN A 98 11.113 -12.689 -5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.544 -11.302 -6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 98 13.160 -10.443 -5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.396 -13.091 -4.516 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.775 -11.479 -4.143 1.00 0.00 H new ATOM 1519 N ASP A 99 11.507 -10.160 -3.124 1.00 0.00 N ATOM 1520 CA ASP A 99 11.967 -9.694 -1.813 1.00 0.00 C ATOM 1521 C ASP A 99 10.815 -8.937 -1.128 1.00 0.00 C ATOM 1522 O ASP A 99 9.929 -8.447 -1.834 1.00 0.00 O ATOM 1523 CB ASP A 99 13.198 -8.784 -1.973 1.00 0.00 C ATOM 1524 CG ASP A 99 14.454 -9.425 -2.562 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.610 -10.667 -2.486 1.00 0.00 O ATOM 1526 OD2 ASP A 99 15.276 -8.668 -3.126 1.00 0.00 O ATOM 0 H ASP A 99 11.074 -9.421 -3.677 1.00 0.00 H new ATOM 0 HA ASP A 99 12.259 -10.545 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.918 -7.941 -2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.451 -8.378 -0.993 1.00 0.00 H new ATOM 1531 N PRO A 100 10.725 -8.914 0.213 1.00 0.00 N ATOM 1532 CA PRO A 100 9.516 -8.505 0.931 1.00 0.00 C ATOM 1533 C PRO A 100 9.340 -6.985 1.040 1.00 0.00 C ATOM 1534 O PRO A 100 10.299 -6.228 1.190 1.00 0.00 O ATOM 1535 CB PRO A 100 9.649 -9.138 2.317 1.00 0.00 C ATOM 1536 CG PRO A 100 11.155 -9.200 2.535 1.00 0.00 C ATOM 1537 CD PRO A 100 11.667 -9.521 1.135 1.00 0.00 C ATOM 0 HA PRO A 100 8.629 -8.836 0.390 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.157 -8.537 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.197 -10.129 2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 100 11.552 -8.256 2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.431 -9.969 3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.670 -9.122 0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 100 11.726 -10.598 0.979 1.00 0.00 H new ATOM 1545 N VAL A 101 8.087 -6.523 1.032 1.00 0.00 N ATOM 1546 CA VAL A 101 7.753 -5.116 1.203 1.00 0.00 C ATOM 1547 C VAL A 101 8.082 -4.681 2.644 1.00 0.00 C ATOM 1548 O VAL A 101 7.659 -5.320 3.611 1.00 0.00 O ATOM 1549 CB VAL A 101 6.292 -4.863 0.762 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.976 -5.443 -0.630 1.00 0.00 C ATOM 1551 CG2 VAL A 101 5.231 -5.354 1.729 1.00 0.00 C ATOM 0 H VAL A 101 7.273 -7.124 0.905 1.00 0.00 H new ATOM 0 HA VAL A 101 8.362 -4.484 0.556 1.00 0.00 H new ATOM 0 HB VAL A 101 6.242 -3.774 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.937 -5.234 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.630 -4.985 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.137 -6.521 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.242 -5.130 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.332 -6.431 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.356 -4.855 2.690 1.00 0.00 H new ATOM 1561 N HIS A 102 8.866 -3.614 2.804 1.00 0.00 N ATOM 1562 CA HIS A 102 9.401 -3.184 4.093 1.00 0.00 C ATOM 1563 C HIS A 102 8.337 -2.416 4.896 1.00 0.00 C ATOM 1564 O HIS A 102 8.125 -1.219 4.661 1.00 0.00 O ATOM 1565 CB HIS A 102 10.668 -2.348 3.840 1.00 0.00 C ATOM 1566 CG HIS A 102 11.779 -2.602 4.817 1.00 0.00 C ATOM 1567 ND1 HIS A 102 11.974 -1.981 6.031 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.854 -3.413 4.584 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.140 -2.422 6.525 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.704 -3.306 5.688 1.00 0.00 N ATOM 0 H HIS A 102 9.151 -3.016 2.028 1.00 0.00 H new ATOM 0 HA HIS A 102 9.672 -4.048 4.700 1.00 0.00 H new ATOM 0 HB2 HIS A 102 11.031 -2.554 2.833 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.405 -1.291 3.873 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.017 -4.024 3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.566 -2.109 7.467 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.583 -3.804 5.830 1.00 0.00 H new ATOM 1578 N TYR A 103 7.654 -3.073 5.842 1.00 0.00 N ATOM 1579 CA TYR A 103 6.535 -2.501 6.604 1.00 0.00 C ATOM 1580 C TYR A 103 6.949 -1.276 7.422 1.00 0.00 C ATOM 1581 O TYR A 103 6.136 -0.405 7.717 1.00 0.00 O ATOM 1582 CB TYR A 103 5.910 -3.557 7.527 1.00 0.00 C ATOM 1583 CG TYR A 103 5.002 -4.590 6.881 1.00 0.00 C ATOM 1584 CD1 TYR A 103 4.906 -4.750 5.482 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.182 -5.368 7.717 1.00 0.00 C ATOM 1586 CE1 TYR A 103 3.991 -5.657 4.935 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.250 -6.264 7.183 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.139 -6.378 5.787 1.00 0.00 C ATOM 1589 OH TYR A 103 2.205 -7.172 5.234 1.00 0.00 O ATOM 0 H TYR A 103 7.867 -4.035 6.105 1.00 0.00 H new ATOM 0 HA TYR A 103 5.795 -2.174 5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.718 -4.086 8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.338 -3.038 8.297 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.542 -4.169 4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.273 -5.272 8.789 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.941 -5.801 3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.626 -6.859 7.833 1.00 0.00 H new ATOM 0 HH TYR A 103 2.528 -7.505 4.371 1.00 0.00 H new ATOM 1599 N GLU A 104 8.224 -1.185 7.780 1.00 0.00 N ATOM 1600 CA GLU A 104 8.750 -0.099 8.589 1.00 0.00 C ATOM 1601 C GLU A 104 8.666 1.235 7.836 1.00 0.00 C ATOM 1602 O GLU A 104 8.010 2.163 8.296 1.00 0.00 O ATOM 1603 CB GLU A 104 10.167 -0.521 8.982 1.00 0.00 C ATOM 1604 CG GLU A 104 10.771 0.213 10.176 1.00 0.00 C ATOM 1605 CD GLU A 104 11.944 -0.623 10.697 1.00 0.00 C ATOM 1606 OE1 GLU A 104 11.688 -1.638 11.395 1.00 0.00 O ATOM 1607 OE2 GLU A 104 13.102 -0.362 10.329 1.00 0.00 O ATOM 0 H GLU A 104 8.928 -1.873 7.512 1.00 0.00 H new ATOM 0 HA GLU A 104 8.167 0.077 9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.160 -1.589 9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.821 -0.376 8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.111 1.206 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.024 0.351 10.957 1.00 0.00 H new ATOM 1614 N LEU A 105 9.253 1.320 6.639 1.00 0.00 N ATOM 1615 CA LEU A 105 9.202 2.538 5.824 1.00 0.00 C ATOM 1616 C LEU A 105 7.759 2.894 5.468 1.00 0.00 C ATOM 1617 O LEU A 105 7.366 4.061 5.492 1.00 0.00 O ATOM 1618 CB LEU A 105 10.022 2.335 4.528 1.00 0.00 C ATOM 1619 CG LEU A 105 11.323 3.143 4.457 1.00 0.00 C ATOM 1620 CD1 LEU A 105 11.000 4.637 4.351 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.253 2.822 5.634 1.00 0.00 C ATOM 0 H LEU A 105 9.773 0.554 6.210 1.00 0.00 H new ATOM 0 HA LEU A 105 9.628 3.357 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.262 1.276 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.398 2.601 3.675 1.00 0.00 H new ATOM 0 HG LEU A 105 11.870 2.855 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.928 5.207 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.413 4.819 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.429 4.949 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.165 3.414 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.750 3.062 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.506 1.762 5.619 1.00 0.00 H new ATOM 1633 N LEU A 106 6.972 1.859 5.163 1.00 0.00 N ATOM 1634 CA LEU A 106 5.551 1.928 4.867 1.00 0.00 C ATOM 1635 C LEU A 106 4.821 2.680 5.979 1.00 0.00 C ATOM 1636 O LEU A 106 4.059 3.605 5.687 1.00 0.00 O ATOM 1637 CB LEU A 106 5.005 0.495 4.730 1.00 0.00 C ATOM 1638 CG LEU A 106 4.912 -0.041 3.298 1.00 0.00 C ATOM 1639 CD1 LEU A 106 4.960 -1.574 3.253 1.00 0.00 C ATOM 1640 CD2 LEU A 106 3.601 0.400 2.673 1.00 0.00 C ATOM 0 H LEU A 106 7.333 0.906 5.115 1.00 0.00 H new ATOM 0 HA LEU A 106 5.390 2.467 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.641 -0.174 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.012 0.459 5.178 1.00 0.00 H new ATOM 0 HG LEU A 106 5.767 0.356 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.891 -1.910 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.898 -1.922 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.125 -1.981 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.537 0.018 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.769 0.011 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.554 1.489 2.655 1.00 0.00 H new ATOM 1652 N LYS A 107 4.994 2.259 7.236 1.00 0.00 N ATOM 1653 CA LYS A 107 4.272 2.830 8.361 1.00 0.00 C ATOM 1654 C LYS A 107 4.743 4.252 8.633 1.00 0.00 C ATOM 1655 O LYS A 107 3.892 5.110 8.842 1.00 0.00 O ATOM 1656 CB LYS A 107 4.342 1.893 9.575 1.00 0.00 C ATOM 1657 CG LYS A 107 5.469 2.086 10.592 1.00 0.00 C ATOM 1658 CD LYS A 107 5.551 0.926 11.591 1.00 0.00 C ATOM 1659 CE LYS A 107 4.213 0.739 12.320 1.00 0.00 C ATOM 1660 NZ LYS A 107 4.373 0.599 13.776 1.00 0.00 N ATOM 0 H LYS A 107 5.640 1.513 7.495 1.00 0.00 H new ATOM 0 HA LYS A 107 3.213 2.916 8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.396 1.976 10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.407 0.872 9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.419 2.178 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.312 3.019 11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.817 0.007 11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.341 1.120 12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.568 1.592 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.711 -0.145 11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.440 0.476 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.966 -0.230 13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.827 1.453 14.159 1.00 0.00 H new ATOM 1674 N GLN A 108 6.051 4.531 8.581 1.00 0.00 N ATOM 1675 CA GLN A 108 6.557 5.855 8.935 1.00 0.00 C ATOM 1676 C GLN A 108 5.948 6.947 8.061 1.00 0.00 C ATOM 1677 O GLN A 108 5.555 7.986 8.596 1.00 0.00 O ATOM 1678 CB GLN A 108 8.089 5.918 8.891 1.00 0.00 C ATOM 1679 CG GLN A 108 8.736 5.024 9.959 1.00 0.00 C ATOM 1680 CD GLN A 108 9.949 5.669 10.622 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.026 5.787 11.843 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.920 6.093 9.834 1.00 0.00 N ATOM 0 H GLN A 108 6.769 3.863 8.300 1.00 0.00 H new ATOM 0 HA GLN A 108 6.248 6.037 9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.436 5.611 7.904 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.413 6.948 9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.995 4.786 10.723 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.037 4.081 9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.839 5.987 8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.751 6.527 10.237 1.00 0.00 H new ATOM 1691 N MET A 109 5.863 6.730 6.744 1.00 0.00 N ATOM 1692 CA MET A 109 5.288 7.737 5.856 1.00 0.00 C ATOM 1693 C MET A 109 3.773 7.823 5.999 1.00 0.00 C ATOM 1694 O MET A 109 3.228 8.921 5.996 1.00 0.00 O ATOM 1695 CB MET A 109 5.712 7.513 4.400 1.00 0.00 C ATOM 1696 CG MET A 109 5.178 6.227 3.757 1.00 0.00 C ATOM 1697 SD MET A 109 5.687 5.999 2.038 1.00 0.00 S ATOM 1698 CE MET A 109 7.472 5.763 2.254 1.00 0.00 C ATOM 0 H MET A 109 6.180 5.880 6.279 1.00 0.00 H new ATOM 0 HA MET A 109 5.689 8.703 6.163 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.378 8.364 3.806 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.801 7.499 4.353 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.517 5.372 4.342 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.089 6.234 3.805 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.011 6.436 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.745 5.980 3.287 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.734 4.731 2.018 1.00 0.00 H new ATOM 1708 N ILE A 110 3.072 6.692 6.115 1.00 0.00 N ATOM 1709 CA ILE A 110 1.616 6.735 6.115 1.00 0.00 C ATOM 1710 C ILE A 110 1.150 7.340 7.445 1.00 0.00 C ATOM 1711 O ILE A 110 0.356 8.269 7.425 1.00 0.00 O ATOM 1712 CB ILE A 110 1.041 5.349 5.758 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.356 5.421 5.144 1.00 0.00 C ATOM 1714 CG2 ILE A 110 1.054 4.328 6.905 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.418 5.987 6.068 1.00 0.00 C ATOM 0 H ILE A 110 3.479 5.761 6.208 1.00 0.00 H new ATOM 0 HA ILE A 110 1.221 7.388 5.337 1.00 0.00 H new ATOM 0 HB ILE A 110 1.738 4.982 5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.312 6.032 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.656 4.420 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.631 3.385 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.080 4.165 7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.461 4.708 7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.378 6.002 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.494 5.364 6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.145 7.002 6.357 1.00 0.00 H new ATOM 1727 N GLU A 111 1.673 6.890 8.593 1.00 0.00 N ATOM 1728 CA GLU A 111 1.280 7.415 9.899 1.00 0.00 C ATOM 1729 C GLU A 111 1.553 8.911 9.947 1.00 0.00 C ATOM 1730 O GLU A 111 0.679 9.665 10.374 1.00 0.00 O ATOM 1731 CB GLU A 111 1.961 6.650 11.050 1.00 0.00 C ATOM 1732 CG GLU A 111 1.369 5.235 11.162 1.00 0.00 C ATOM 1733 CD GLU A 111 1.741 4.471 12.444 1.00 0.00 C ATOM 1734 OE1 GLU A 111 2.767 3.748 12.505 1.00 0.00 O ATOM 1735 OE2 GLU A 111 0.939 4.498 13.409 1.00 0.00 O ATOM 0 H GLU A 111 2.378 6.154 8.638 1.00 0.00 H new ATOM 0 HA GLU A 111 0.210 7.262 10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.035 6.591 10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.821 7.187 11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.283 5.307 11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.697 4.652 10.302 1.00 0.00 H new ATOM 1742 N PHE A 112 2.694 9.347 9.400 1.00 0.00 N ATOM 1743 CA PHE A 112 2.979 10.759 9.208 1.00 0.00 C ATOM 1744 C PHE A 112 1.869 11.450 8.404 1.00 0.00 C ATOM 1745 O PHE A 112 1.362 12.486 8.815 1.00 0.00 O ATOM 1746 CB PHE A 112 4.335 10.939 8.521 1.00 0.00 C ATOM 1747 CG PHE A 112 4.631 12.374 8.137 1.00 0.00 C ATOM 1748 CD1 PHE A 112 5.169 13.246 9.098 1.00 0.00 C ATOM 1749 CD2 PHE A 112 4.291 12.860 6.857 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.356 14.599 8.784 1.00 0.00 C ATOM 1751 CE2 PHE A 112 4.466 14.224 6.553 1.00 0.00 C ATOM 1752 CZ PHE A 112 4.999 15.092 7.521 1.00 0.00 C ATOM 0 H PHE A 112 3.438 8.727 9.082 1.00 0.00 H new ATOM 0 HA PHE A 112 3.018 11.231 10.190 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.121 10.579 9.185 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.365 10.318 7.626 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.438 12.875 10.076 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.897 12.186 6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.778 15.267 9.520 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.191 14.602 5.579 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.134 16.139 7.292 1.00 0.00 H new ATOM 1762 N ASN A 113 1.472 10.881 7.269 1.00 0.00 N ATOM 1763 CA ASN A 113 0.501 11.470 6.359 1.00 0.00 C ATOM 1764 C ASN A 113 -0.881 11.644 7.009 1.00 0.00 C ATOM 1765 O ASN A 113 -1.608 12.550 6.604 1.00 0.00 O ATOM 1766 CB ASN A 113 0.378 10.591 5.107 1.00 0.00 C ATOM 1767 CG ASN A 113 1.176 11.068 3.895 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.998 10.338 3.351 1.00 0.00 O ATOM 1769 ND2 ASN A 113 0.900 12.262 3.400 1.00 0.00 N ATOM 0 H ASN A 113 1.826 9.978 6.952 1.00 0.00 H new ATOM 0 HA ASN A 113 0.860 12.464 6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.700 9.581 5.359 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.674 10.530 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.373 12.586 2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.214 12.860 3.862 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.272 10.797 7.972 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.540 10.916 8.710 1.00 0.00 C ATOM 1778 C ILE A 114 -2.411 11.936 9.849 1.00 0.00 C ATOM 1779 O ILE A 114 -3.390 12.606 10.187 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.970 9.560 9.328 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -2.692 8.350 8.401 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -4.440 9.615 9.792 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.532 7.080 8.596 1.00 0.00 C ATOM 0 H ILE A 114 -0.709 9.998 8.265 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.291 11.242 7.991 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.344 9.397 10.205 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.824 8.682 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.643 8.077 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.722 8.654 10.222 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.556 10.397 10.543 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.083 9.833 8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.221 6.324 7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.386 6.699 9.607 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.586 7.314 8.445 1.00 0.00 H new ATOM 1795 N GLN A 115 -1.234 12.090 10.450 1.00 0.00 N ATOM 1796 CA GLN A 115 -1.021 13.209 11.379 1.00 0.00 C ATOM 1797 C GLN A 115 -0.691 14.520 10.644 1.00 0.00 C ATOM 1798 O GLN A 115 -0.403 15.530 11.289 1.00 0.00 O ATOM 1799 CB GLN A 115 0.002 12.853 12.462 1.00 0.00 C ATOM 1800 CG GLN A 115 1.397 12.625 11.903 1.00 0.00 C ATOM 1801 CD GLN A 115 2.390 12.216 12.972 1.00 0.00 C ATOM 1802 OE1 GLN A 115 3.274 12.983 13.336 1.00 0.00 O ATOM 1803 NE2 GLN A 115 2.286 10.998 13.472 1.00 0.00 N ATOM 0 H GLN A 115 -0.430 11.476 10.320 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.964 13.390 11.894 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.038 13.655 13.199 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.326 11.954 12.984 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.356 11.852 11.135 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.745 13.537 11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.542 10.378 13.153 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.950 10.678 14.177 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.678 14.519 9.308 1.00 0.00 N ATOM 1813 CA ASP A 116 -0.220 15.662 8.509 1.00 0.00 C ATOM 1814 C ASP A 116 -1.342 16.632 8.158 1.00 0.00 C ATOM 1815 O ASP A 116 -1.152 17.844 8.223 1.00 0.00 O ATOM 1816 CB ASP A 116 0.541 15.189 7.268 1.00 0.00 C ATOM 1817 CG ASP A 116 0.800 16.323 6.282 1.00 0.00 C ATOM 1818 OD1 ASP A 116 1.800 17.049 6.437 1.00 0.00 O ATOM 1819 OD2 ASP A 116 -0.031 16.486 5.351 1.00 0.00 O ATOM 0 H ASP A 116 -0.985 13.724 8.748 1.00 0.00 H new ATOM 0 HA ASP A 116 0.472 16.228 9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.491 14.751 7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -0.029 14.403 6.773 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.520 16.117 7.816 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.718 16.896 7.478 1.00 0.00 C ATOM 1826 C LYS A 117 -4.639 17.019 8.698 1.00 0.00 C ATOM 1827 O LYS A 117 -5.862 17.148 8.570 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.442 16.258 6.279 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.594 15.985 5.030 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.329 17.232 4.180 1.00 0.00 C ATOM 1831 CE LYS A 117 -2.299 16.988 3.066 1.00 0.00 C ATOM 1832 NZ LYS A 117 -2.722 16.023 2.020 1.00 0.00 N ATOM 0 H LYS A 117 -2.677 15.111 7.763 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.421 17.904 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.878 15.315 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.268 16.909 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.640 15.556 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.097 15.238 4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.266 17.568 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.976 18.037 4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.070 17.941 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -1.375 16.628 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.885 15.677 1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.212 15.221 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.366 16.494 1.353 1.00 0.00 H new ATOM 1846 N GLU A 118 -4.064 16.881 9.888 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.771 16.914 11.158 1.00 0.00 C ATOM 1848 C GLU A 118 -5.484 18.240 11.359 1.00 0.00 C ATOM 1849 O GLU A 118 -6.551 18.226 12.005 1.00 0.00 O ATOM 1850 CB GLU A 118 -3.795 16.649 12.310 1.00 0.00 C ATOM 1851 CG GLU A 118 -4.187 15.396 13.094 1.00 0.00 C ATOM 1852 CD GLU A 118 -3.318 15.305 14.362 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -3.672 15.952 15.370 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -2.226 14.683 14.336 1.00 0.00 O ATOM 0 H GLU A 118 -3.060 16.739 9.996 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.528 16.130 11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.786 16.532 11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.778 17.509 12.980 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.243 15.435 13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.048 14.508 12.478 1.00 0.00 H new TER 1861 GLU A 118