USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 994 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 73 HIS : no HE2:sc= -1.89! C(o=-2.1!,f=-5.5!) USER MOD Set 1.2: A 85 SER OG : rot -132:sc= -0.175 USER MOD Set 2.1: A 55 LYS NZ :NH3+ 167:sc= -0.397 (180deg=-0.397) USER MOD Set 2.2: A 70 HIS :FLIP no HD1:sc= -5.48! C(o=-6.9!,f=-5.9!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0974 K(o=-0.097,f=-1.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -50:sc= -0.452 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 63:sc= -0.274 USER MOD Single : A 53 THR OG1 : rot 1:sc= -3.67! USER MOD Single : A 56 LYS NZ :NH3+ -121:sc= -1.15 (180deg=-3.13!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 171:sc= -3.68! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 106:sc= 1.01 USER MOD Single : A 93 SER OG : rot 180:sc= -0.228! USER MOD Single : A 95 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.5!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.251 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.079) USER MOD Single : A 113 THR OG1 : rot 112:sc= -1.25! USER MOD Single : A 116 LYS NZ :NH3+ 160:sc= -0.0555 (180deg=-0.628) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.081 K(o=-0.081,f=-0.61) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 3 -8.435 -1.252 18.076 1.00 0.00 N ATOM 9 CA VAL A 3 -7.185 -1.645 17.367 1.00 0.00 C ATOM 10 C VAL A 3 -6.525 -0.403 16.768 1.00 0.00 C ATOM 11 O VAL A 3 -7.178 0.438 16.184 1.00 0.00 O ATOM 12 CB VAL A 3 -7.520 -2.633 16.248 1.00 0.00 C ATOM 13 CG1 VAL A 3 -6.265 -2.903 15.415 1.00 0.00 C ATOM 14 CG2 VAL A 3 -8.021 -3.944 16.856 1.00 0.00 C ATOM 0 HA VAL A 3 -6.501 -2.115 18.074 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.296 -2.210 15.610 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.502 -3.607 14.617 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.909 -1.969 14.981 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.489 -3.326 16.053 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.259 -4.647 16.058 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.246 -4.369 17.494 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.915 -3.752 17.449 1.00 0.00 H new ATOM 24 N TYR A 4 -5.233 -0.282 16.905 1.00 0.00 N ATOM 25 CA TYR A 4 -4.532 0.905 16.341 1.00 0.00 C ATOM 26 C TYR A 4 -3.611 0.458 15.204 1.00 0.00 C ATOM 27 O TYR A 4 -2.975 -0.574 15.278 1.00 0.00 O ATOM 28 CB TYR A 4 -3.699 1.576 17.434 1.00 0.00 C ATOM 29 CG TYR A 4 -4.603 2.007 18.565 1.00 0.00 C ATOM 30 CD1 TYR A 4 -5.326 3.201 18.466 1.00 0.00 C ATOM 31 CD2 TYR A 4 -4.716 1.212 19.712 1.00 0.00 C ATOM 32 CE1 TYR A 4 -6.163 3.600 19.515 1.00 0.00 C ATOM 33 CE2 TYR A 4 -5.553 1.611 20.760 1.00 0.00 C ATOM 34 CZ TYR A 4 -6.277 2.805 20.662 1.00 0.00 C ATOM 35 OH TYR A 4 -7.102 3.200 21.695 1.00 0.00 O ATOM 0 H TYR A 4 -4.633 -0.954 17.383 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.268 1.613 15.960 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.941 0.885 17.804 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.173 2.439 17.026 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.238 3.814 17.581 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.157 0.291 19.788 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.721 4.522 19.439 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.640 0.998 21.645 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.067 2.535 22.414 1.00 0.00 H new ATOM 45 N THR A 5 -3.532 1.227 14.155 1.00 0.00 N ATOM 46 CA THR A 5 -2.648 0.846 13.019 1.00 0.00 C ATOM 47 C THR A 5 -1.281 1.507 13.201 1.00 0.00 C ATOM 48 O THR A 5 -1.179 2.620 13.677 1.00 0.00 O ATOM 49 CB THR A 5 -3.274 1.313 11.703 1.00 0.00 C ATOM 50 OG1 THR A 5 -4.624 0.876 11.641 1.00 0.00 O ATOM 51 CG2 THR A 5 -2.491 0.726 10.528 1.00 0.00 C ATOM 0 H THR A 5 -4.041 2.103 14.035 1.00 0.00 H new ATOM 0 HA THR A 5 -2.529 -0.237 12.995 1.00 0.00 H new ATOM 0 HB THR A 5 -3.242 2.401 11.651 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.027 1.176 10.799 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.937 1.059 9.591 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.455 1.063 10.576 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.522 -0.362 10.578 1.00 0.00 H new ATOM 59 N TYR A 6 -0.229 0.831 12.832 1.00 0.00 N ATOM 60 CA TYR A 6 1.129 1.424 12.992 1.00 0.00 C ATOM 61 C TYR A 6 1.855 1.422 11.646 1.00 0.00 C ATOM 62 O TYR A 6 1.786 0.472 10.892 1.00 0.00 O ATOM 63 CB TYR A 6 1.926 0.597 14.004 1.00 0.00 C ATOM 64 CG TYR A 6 3.269 1.245 14.239 1.00 0.00 C ATOM 65 CD1 TYR A 6 3.393 2.282 15.171 1.00 0.00 C ATOM 66 CD2 TYR A 6 4.392 0.807 13.526 1.00 0.00 C ATOM 67 CE1 TYR A 6 4.639 2.882 15.390 1.00 0.00 C ATOM 68 CE2 TYR A 6 5.638 1.407 13.746 1.00 0.00 C ATOM 69 CZ TYR A 6 5.761 2.444 14.678 1.00 0.00 C ATOM 70 OH TYR A 6 6.990 3.035 14.894 1.00 0.00 O ATOM 0 H TYR A 6 -0.250 -0.105 12.427 1.00 0.00 H new ATOM 0 HA TYR A 6 1.037 2.450 13.348 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.377 0.524 14.943 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.061 -0.419 13.633 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.527 2.619 15.721 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.297 0.007 12.807 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.734 3.683 16.108 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.504 1.070 13.196 1.00 0.00 H new ATOM 0 HH TYR A 6 7.662 2.612 14.320 1.00 0.00 H new ATOM 80 N GLU A 7 2.555 2.481 11.340 1.00 0.00 N ATOM 81 CA GLU A 7 3.291 2.544 10.046 1.00 0.00 C ATOM 82 C GLU A 7 4.795 2.600 10.325 1.00 0.00 C ATOM 83 O GLU A 7 5.255 3.373 11.141 1.00 0.00 O ATOM 84 CB GLU A 7 2.868 3.797 9.277 1.00 0.00 C ATOM 85 CG GLU A 7 3.621 3.856 7.946 1.00 0.00 C ATOM 86 CD GLU A 7 3.242 5.138 7.203 1.00 0.00 C ATOM 87 OE1 GLU A 7 2.522 5.941 7.775 1.00 0.00 O ATOM 88 OE2 GLU A 7 3.677 5.295 6.074 1.00 0.00 O ATOM 0 H GLU A 7 2.649 3.306 11.932 1.00 0.00 H new ATOM 0 HA GLU A 7 3.061 1.660 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.793 3.782 9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.081 4.688 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.696 3.830 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.376 2.985 7.338 1.00 0.00 H new ATOM 95 N ASN A 8 5.565 1.786 9.656 1.00 0.00 N ATOM 96 CA ASN A 8 7.036 1.795 9.889 1.00 0.00 C ATOM 97 C ASN A 8 7.760 2.144 8.587 1.00 0.00 C ATOM 98 O ASN A 8 7.466 1.605 7.538 1.00 0.00 O ATOM 99 CB ASN A 8 7.486 0.413 10.368 1.00 0.00 C ATOM 100 CG ASN A 8 8.907 0.504 10.928 1.00 0.00 C ATOM 101 OD1 ASN A 8 9.332 1.554 11.366 1.00 0.00 O ATOM 102 ND2 ASN A 8 9.663 -0.558 10.930 1.00 0.00 N ATOM 0 H ASN A 8 5.239 1.116 8.959 1.00 0.00 H new ATOM 0 HA ASN A 8 7.277 2.539 10.648 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.805 0.043 11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.454 -0.298 9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.612 -0.508 11.300 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.305 -1.439 10.562 1.00 0.00 H new ATOM 109 N GLU A 9 8.707 3.040 8.647 1.00 0.00 N ATOM 110 CA GLU A 9 9.453 3.421 7.414 1.00 0.00 C ATOM 111 C GLU A 9 10.851 2.798 7.455 1.00 0.00 C ATOM 112 O GLU A 9 11.595 2.984 8.396 1.00 0.00 O ATOM 113 CB GLU A 9 9.576 4.945 7.342 1.00 0.00 C ATOM 114 CG GLU A 9 8.184 5.574 7.417 1.00 0.00 C ATOM 115 CD GLU A 9 8.311 7.098 7.372 1.00 0.00 C ATOM 116 OE1 GLU A 9 9.420 7.585 7.514 1.00 0.00 O ATOM 117 OE2 GLU A 9 7.296 7.752 7.198 1.00 0.00 O ATOM 0 H GLU A 9 8.996 3.525 9.497 1.00 0.00 H new ATOM 0 HA GLU A 9 8.917 3.059 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.196 5.309 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.069 5.237 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.570 5.225 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.683 5.267 8.335 1.00 0.00 H new ATOM 124 N PHE A 10 11.213 2.062 6.441 1.00 0.00 N ATOM 125 CA PHE A 10 12.563 1.430 6.426 1.00 0.00 C ATOM 126 C PHE A 10 13.188 1.592 5.040 1.00 0.00 C ATOM 127 O PHE A 10 12.557 1.352 4.030 1.00 0.00 O ATOM 128 CB PHE A 10 12.434 -0.058 6.758 1.00 0.00 C ATOM 129 CG PHE A 10 13.783 -0.723 6.620 1.00 0.00 C ATOM 130 CD1 PHE A 10 14.667 -0.746 7.708 1.00 0.00 C ATOM 131 CD2 PHE A 10 14.151 -1.316 5.407 1.00 0.00 C ATOM 132 CE1 PHE A 10 15.917 -1.363 7.580 1.00 0.00 C ATOM 133 CE2 PHE A 10 15.402 -1.933 5.280 1.00 0.00 C ATOM 134 CZ PHE A 10 16.285 -1.957 6.366 1.00 0.00 C ATOM 0 H PHE A 10 10.634 1.871 5.623 1.00 0.00 H new ATOM 0 HA PHE A 10 13.198 1.914 7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.057 -0.184 7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.714 -0.530 6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.384 -0.288 8.644 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.470 -1.298 4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 10 16.598 -1.381 8.418 1.00 0.00 H new ATOM 0 HE2 PHE A 10 15.686 -2.391 4.344 1.00 0.00 H new ATOM 0 HZ PHE A 10 17.249 -2.433 6.268 1.00 0.00 H new ATOM 144 N THR A 11 14.426 1.999 4.984 1.00 0.00 N ATOM 145 CA THR A 11 15.094 2.176 3.664 1.00 0.00 C ATOM 146 C THR A 11 15.993 0.970 3.388 1.00 0.00 C ATOM 147 O THR A 11 16.610 0.427 4.283 1.00 0.00 O ATOM 148 CB THR A 11 15.941 3.451 3.692 1.00 0.00 C ATOM 149 OG1 THR A 11 17.115 3.220 4.458 1.00 0.00 O ATOM 150 CG2 THR A 11 15.134 4.585 4.322 1.00 0.00 C ATOM 0 H THR A 11 15.004 2.217 5.796 1.00 0.00 H new ATOM 0 HA THR A 11 14.342 2.257 2.879 1.00 0.00 H new ATOM 0 HB THR A 11 16.219 3.727 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.660 4.035 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.737 5.493 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.233 4.761 3.734 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.856 4.312 5.340 1.00 0.00 H new ATOM 158 N SER A 12 16.071 0.544 2.157 1.00 0.00 N ATOM 159 CA SER A 12 16.929 -0.630 1.832 1.00 0.00 C ATOM 160 C SER A 12 17.633 -0.398 0.494 1.00 0.00 C ATOM 161 O SER A 12 17.349 0.548 -0.214 1.00 0.00 O ATOM 162 CB SER A 12 16.059 -1.885 1.741 1.00 0.00 C ATOM 163 OG SER A 12 15.348 -1.881 0.512 1.00 0.00 O ATOM 0 H SER A 12 15.579 0.957 1.364 1.00 0.00 H new ATOM 0 HA SER A 12 17.677 -0.760 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.681 -2.777 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.361 -1.918 2.577 1.00 0.00 H new ATOM 0 HG SER A 12 14.902 -1.016 0.395 1.00 0.00 H new ATOM 169 N ASP A 13 18.552 -1.257 0.142 1.00 0.00 N ATOM 170 CA ASP A 13 19.276 -1.090 -1.149 1.00 0.00 C ATOM 171 C ASP A 13 18.368 -1.520 -2.303 1.00 0.00 C ATOM 172 O ASP A 13 17.216 -1.855 -2.108 1.00 0.00 O ATOM 173 CB ASP A 13 20.537 -1.958 -1.140 1.00 0.00 C ATOM 174 CG ASP A 13 21.661 -1.216 -0.414 1.00 0.00 C ATOM 175 OD1 ASP A 13 21.484 -0.043 -0.132 1.00 0.00 O ATOM 176 OD2 ASP A 13 22.680 -1.834 -0.153 1.00 0.00 O ATOM 0 H ASP A 13 18.832 -2.068 0.694 1.00 0.00 H new ATOM 0 HA ASP A 13 19.555 -0.044 -1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 13 20.334 -2.908 -0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 13 20.840 -2.189 -2.161 1.00 0.00 H new ATOM 181 N ILE A 14 18.876 -1.513 -3.506 1.00 0.00 N ATOM 182 CA ILE A 14 18.038 -1.919 -4.670 1.00 0.00 C ATOM 183 C ILE A 14 16.866 -0.946 -4.814 1.00 0.00 C ATOM 184 O ILE A 14 16.259 -0.546 -3.840 1.00 0.00 O ATOM 185 CB ILE A 14 17.505 -3.337 -4.444 1.00 0.00 C ATOM 186 CG1 ILE A 14 18.608 -4.208 -3.841 1.00 0.00 C ATOM 187 CG2 ILE A 14 17.061 -3.935 -5.780 1.00 0.00 C ATOM 188 CD1 ILE A 14 19.892 -4.043 -4.656 1.00 0.00 C ATOM 0 H ILE A 14 19.833 -1.244 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 14 18.639 -1.900 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 14 16.656 -3.299 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 14 18.784 -3.924 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 14 18.299 -5.253 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.682 -4.944 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.274 -3.316 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.910 -3.971 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 14 20.678 -4.664 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 14 19.711 -4.349 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.203 -2.999 -4.637 1.00 0.00 H new ATOM 200 N PRO A 15 16.547 -0.557 -6.057 1.00 0.00 N ATOM 201 CA PRO A 15 15.449 0.375 -6.336 1.00 0.00 C ATOM 202 C PRO A 15 14.077 -0.258 -6.078 1.00 0.00 C ATOM 203 O PRO A 15 13.894 -1.452 -6.207 1.00 0.00 O ATOM 204 CB PRO A 15 15.619 0.696 -7.820 1.00 0.00 C ATOM 205 CG PRO A 15 16.341 -0.480 -8.383 1.00 0.00 C ATOM 206 CD PRO A 15 17.232 -0.996 -7.286 1.00 0.00 C ATOM 0 HA PRO A 15 15.486 1.254 -5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.654 0.838 -8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.187 1.615 -7.963 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.639 -1.248 -8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.926 -0.194 -9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.331 -2.081 -7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.238 -0.581 -7.356 1.00 0.00 H new ATOM 214 N ALA A 16 13.115 0.542 -5.706 1.00 0.00 N ATOM 215 CA ALA A 16 11.749 0.013 -5.422 1.00 0.00 C ATOM 216 C ALA A 16 11.346 -1.056 -6.446 1.00 0.00 C ATOM 217 O ALA A 16 10.928 -2.137 -6.082 1.00 0.00 O ATOM 218 CB ALA A 16 10.743 1.165 -5.476 1.00 0.00 C ATOM 0 H ALA A 16 13.218 1.550 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 16 11.754 -0.442 -4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.743 0.785 -5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.008 1.914 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.761 1.618 -6.467 1.00 0.00 H new ATOM 224 N PRO A 17 11.449 -0.748 -7.752 1.00 0.00 N ATOM 225 CA PRO A 17 11.066 -1.692 -8.815 1.00 0.00 C ATOM 226 C PRO A 17 11.949 -2.945 -8.847 1.00 0.00 C ATOM 227 O PRO A 17 11.456 -4.054 -8.892 1.00 0.00 O ATOM 228 CB PRO A 17 11.246 -0.877 -10.097 1.00 0.00 C ATOM 229 CG PRO A 17 12.240 0.170 -9.734 1.00 0.00 C ATOM 230 CD PRO A 17 11.947 0.525 -8.304 1.00 0.00 C ATOM 0 HA PRO A 17 10.054 -2.070 -8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.606 -1.499 -10.916 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.304 -0.435 -10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.259 -0.201 -9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.146 1.042 -10.382 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.839 0.872 -7.782 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.204 1.318 -8.227 1.00 0.00 H new ATOM 238 N LYS A 18 13.245 -2.787 -8.826 1.00 0.00 N ATOM 239 CA LYS A 18 14.131 -3.987 -8.860 1.00 0.00 C ATOM 240 C LYS A 18 13.806 -4.898 -7.674 1.00 0.00 C ATOM 241 O LYS A 18 13.819 -6.109 -7.788 1.00 0.00 O ATOM 242 CB LYS A 18 15.596 -3.553 -8.779 1.00 0.00 C ATOM 243 CG LYS A 18 16.495 -4.787 -8.873 1.00 0.00 C ATOM 244 CD LYS A 18 17.962 -4.356 -8.838 1.00 0.00 C ATOM 245 CE LYS A 18 18.558 -4.464 -10.244 1.00 0.00 C ATOM 246 NZ LYS A 18 19.922 -3.864 -10.254 1.00 0.00 N ATOM 0 H LYS A 18 13.726 -1.888 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 18 13.965 -4.527 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.827 -2.859 -9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.780 -3.026 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.285 -5.466 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.287 -5.332 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 18 18.043 -3.332 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 18 18.521 -4.985 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.607 -5.509 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.918 -3.951 -10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 20.327 -3.938 -11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 19.863 -2.863 -9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 20.530 -4.372 -9.581 1.00 0.00 H new ATOM 260 N LEU A 19 13.516 -4.330 -6.535 1.00 0.00 N ATOM 261 CA LEU A 19 13.192 -5.168 -5.346 1.00 0.00 C ATOM 262 C LEU A 19 11.780 -5.739 -5.491 1.00 0.00 C ATOM 263 O LEU A 19 11.521 -6.874 -5.146 1.00 0.00 O ATOM 264 CB LEU A 19 13.268 -4.310 -4.081 1.00 0.00 C ATOM 265 CG LEU A 19 13.104 -5.200 -2.847 1.00 0.00 C ATOM 266 CD1 LEU A 19 14.074 -6.381 -2.937 1.00 0.00 C ATOM 267 CD2 LEU A 19 13.408 -4.385 -1.589 1.00 0.00 C ATOM 0 H LEU A 19 13.490 -3.323 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 19 13.908 -5.987 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.224 -3.787 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.489 -3.548 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 19 12.081 -5.574 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.958 -7.015 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.859 -6.961 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.097 -6.009 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.292 -5.017 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.431 -4.012 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.718 -3.544 -1.525 1.00 0.00 H new ATOM 279 N PHE A 20 10.865 -4.960 -6.000 1.00 0.00 N ATOM 280 CA PHE A 20 9.471 -5.458 -6.167 1.00 0.00 C ATOM 281 C PHE A 20 9.483 -6.744 -6.997 1.00 0.00 C ATOM 282 O PHE A 20 8.854 -7.726 -6.652 1.00 0.00 O ATOM 283 CB PHE A 20 8.631 -4.399 -6.883 1.00 0.00 C ATOM 284 CG PHE A 20 7.196 -4.862 -6.956 1.00 0.00 C ATOM 285 CD1 PHE A 20 6.331 -4.637 -5.879 1.00 0.00 C ATOM 286 CD2 PHE A 20 6.729 -5.517 -8.102 1.00 0.00 C ATOM 287 CE1 PHE A 20 5.001 -5.067 -5.946 1.00 0.00 C ATOM 288 CE2 PHE A 20 5.399 -5.948 -8.170 1.00 0.00 C ATOM 289 CZ PHE A 20 4.534 -5.723 -7.092 1.00 0.00 C ATOM 0 H PHE A 20 11.023 -4.000 -6.307 1.00 0.00 H new ATOM 0 HA PHE A 20 9.040 -5.662 -5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.692 -3.450 -6.351 1.00 0.00 H new ATOM 0 HB3 PHE A 20 9.021 -4.227 -7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.690 -4.131 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.395 -5.690 -8.934 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.335 -4.893 -5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.040 -6.454 -9.054 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.508 -6.055 -7.144 1.00 0.00 H new ATOM 299 N LYS A 21 10.194 -6.742 -8.089 1.00 0.00 N ATOM 300 CA LYS A 21 10.252 -7.957 -8.950 1.00 0.00 C ATOM 301 C LYS A 21 10.499 -9.197 -8.087 1.00 0.00 C ATOM 302 O LYS A 21 9.880 -10.224 -8.275 1.00 0.00 O ATOM 303 CB LYS A 21 11.391 -7.811 -9.962 1.00 0.00 C ATOM 304 CG LYS A 21 11.419 -9.037 -10.878 1.00 0.00 C ATOM 305 CD LYS A 21 12.652 -8.975 -11.782 1.00 0.00 C ATOM 306 CE LYS A 21 12.543 -10.052 -12.863 1.00 0.00 C ATOM 307 NZ LYS A 21 13.907 -10.514 -13.247 1.00 0.00 N ATOM 0 H LYS A 21 10.740 -5.948 -8.424 1.00 0.00 H new ATOM 0 HA LYS A 21 9.304 -8.067 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.253 -6.905 -10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.344 -7.710 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.439 -9.949 -10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.513 -9.072 -11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.731 -7.990 -12.241 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.557 -9.125 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.953 -10.892 -12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.023 -9.655 -13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.832 -11.246 -13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.455 -9.710 -13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.387 -10.909 -12.413 1.00 0.00 H new ATOM 321 N ALA A 22 11.404 -9.116 -7.152 1.00 0.00 N ATOM 322 CA ALA A 22 11.689 -10.301 -6.293 1.00 0.00 C ATOM 323 C ALA A 22 11.131 -10.077 -4.886 1.00 0.00 C ATOM 324 O ALA A 22 11.475 -10.779 -3.956 1.00 0.00 O ATOM 325 CB ALA A 22 13.200 -10.518 -6.211 1.00 0.00 C ATOM 0 H ALA A 22 11.957 -8.284 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 22 11.214 -11.179 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.410 -11.384 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.598 -10.690 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.672 -9.635 -5.780 1.00 0.00 H new ATOM 331 N PHE A 23 10.275 -9.109 -4.715 1.00 0.00 N ATOM 332 CA PHE A 23 9.704 -8.855 -3.363 1.00 0.00 C ATOM 333 C PHE A 23 8.347 -9.551 -3.241 1.00 0.00 C ATOM 334 O PHE A 23 7.964 -10.002 -2.180 1.00 0.00 O ATOM 335 CB PHE A 23 9.523 -7.349 -3.162 1.00 0.00 C ATOM 336 CG PHE A 23 8.919 -7.090 -1.804 1.00 0.00 C ATOM 337 CD1 PHE A 23 9.717 -7.169 -0.657 1.00 0.00 C ATOM 338 CD2 PHE A 23 7.562 -6.766 -1.692 1.00 0.00 C ATOM 339 CE1 PHE A 23 9.156 -6.926 0.602 1.00 0.00 C ATOM 340 CE2 PHE A 23 7.002 -6.523 -0.433 1.00 0.00 C ATOM 341 CZ PHE A 23 7.798 -6.602 0.715 1.00 0.00 C ATOM 0 H PHE A 23 9.947 -8.484 -5.451 1.00 0.00 H new ATOM 0 HA PHE A 23 10.382 -9.246 -2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.484 -6.842 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.879 -6.942 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.765 -7.417 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.947 -6.704 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.771 -6.988 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.955 -6.274 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.366 -6.413 1.687 1.00 0.00 H new ATOM 351 N VAL A 24 7.615 -9.640 -4.319 1.00 0.00 N ATOM 352 CA VAL A 24 6.283 -10.306 -4.257 1.00 0.00 C ATOM 353 C VAL A 24 6.204 -11.408 -5.317 1.00 0.00 C ATOM 354 O VAL A 24 5.666 -12.471 -5.081 1.00 0.00 O ATOM 355 CB VAL A 24 5.187 -9.271 -4.515 1.00 0.00 C ATOM 356 CG1 VAL A 24 5.273 -8.164 -3.462 1.00 0.00 C ATOM 357 CG2 VAL A 24 5.374 -8.665 -5.908 1.00 0.00 C ATOM 0 H VAL A 24 7.881 -9.282 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 24 6.146 -10.748 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 24 4.211 -9.753 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.492 -7.426 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.140 -8.595 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.249 -7.682 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.593 -7.927 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.350 -8.183 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.313 -9.453 -6.659 1.00 0.00 H new ATOM 367 N LEU A 25 6.732 -11.163 -6.486 1.00 0.00 N ATOM 368 CA LEU A 25 6.679 -12.199 -7.557 1.00 0.00 C ATOM 369 C LEU A 25 7.340 -13.487 -7.063 1.00 0.00 C ATOM 370 O LEU A 25 6.695 -14.503 -6.899 1.00 0.00 O ATOM 371 CB LEU A 25 7.418 -11.692 -8.797 1.00 0.00 C ATOM 372 CG LEU A 25 7.054 -12.566 -9.999 1.00 0.00 C ATOM 373 CD1 LEU A 25 5.533 -12.644 -10.132 1.00 0.00 C ATOM 374 CD2 LEU A 25 7.648 -11.956 -11.270 1.00 0.00 C ATOM 0 H LEU A 25 7.197 -10.293 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 25 5.638 -12.401 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.150 -10.654 -8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.495 -11.717 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 25 7.456 -13.569 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.274 -13.267 -10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.110 -13.079 -9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.129 -11.642 -10.276 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.389 -12.578 -12.127 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.246 -10.953 -11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.733 -11.902 -11.175 1.00 0.00 H new ATOM 386 N ASP A 26 8.624 -13.456 -6.825 1.00 0.00 N ATOM 387 CA ASP A 26 9.318 -14.684 -6.344 1.00 0.00 C ATOM 388 C ASP A 26 9.343 -14.690 -4.814 1.00 0.00 C ATOM 389 O ASP A 26 10.055 -15.456 -4.198 1.00 0.00 O ATOM 390 CB ASP A 26 10.752 -14.707 -6.878 1.00 0.00 C ATOM 391 CG ASP A 26 11.497 -13.460 -6.400 1.00 0.00 C ATOM 392 OD1 ASP A 26 11.085 -12.892 -5.403 1.00 0.00 O ATOM 393 OD2 ASP A 26 12.469 -13.093 -7.041 1.00 0.00 O ATOM 0 H ASP A 26 9.220 -12.636 -6.942 1.00 0.00 H new ATOM 0 HA ASP A 26 8.785 -15.564 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.265 -15.604 -6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.745 -14.743 -7.967 1.00 0.00 H new ATOM 398 N ALA A 27 8.568 -13.840 -4.197 1.00 0.00 N ATOM 399 CA ALA A 27 8.548 -13.797 -2.708 1.00 0.00 C ATOM 400 C ALA A 27 7.906 -15.077 -2.167 1.00 0.00 C ATOM 401 O ALA A 27 8.292 -15.587 -1.134 1.00 0.00 O ATOM 402 CB ALA A 27 7.736 -12.585 -2.244 1.00 0.00 C ATOM 0 H ALA A 27 7.949 -13.174 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 27 9.569 -13.717 -2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.721 -12.553 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.193 -11.673 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.716 -12.666 -2.619 1.00 0.00 H new ATOM 408 N ASP A 28 6.930 -15.600 -2.856 1.00 0.00 N ATOM 409 CA ASP A 28 6.266 -16.846 -2.379 1.00 0.00 C ATOM 410 C ASP A 28 7.303 -17.967 -2.269 1.00 0.00 C ATOM 411 O ASP A 28 7.301 -18.735 -1.328 1.00 0.00 O ATOM 412 CB ASP A 28 5.175 -17.254 -3.372 1.00 0.00 C ATOM 413 CG ASP A 28 4.058 -16.209 -3.358 1.00 0.00 C ATOM 414 OD1 ASP A 28 4.043 -15.398 -2.446 1.00 0.00 O ATOM 415 OD2 ASP A 28 3.237 -16.237 -4.259 1.00 0.00 O ATOM 0 H ASP A 28 6.563 -15.219 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 28 5.819 -16.669 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.594 -17.341 -4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.775 -18.233 -3.108 1.00 0.00 H new ATOM 420 N ASN A 29 8.186 -18.067 -3.223 1.00 0.00 N ATOM 421 CA ASN A 29 9.220 -19.140 -3.174 1.00 0.00 C ATOM 422 C ASN A 29 10.516 -18.579 -2.582 1.00 0.00 C ATOM 423 O ASN A 29 11.288 -19.290 -1.970 1.00 0.00 O ATOM 424 CB ASN A 29 9.487 -19.656 -4.588 1.00 0.00 C ATOM 425 CG ASN A 29 10.103 -21.053 -4.514 1.00 0.00 C ATOM 426 OD1 ASN A 29 10.021 -21.713 -3.497 1.00 0.00 O ATOM 427 ND2 ASN A 29 10.722 -21.538 -5.556 1.00 0.00 N ATOM 0 H ASN A 29 8.237 -17.452 -4.035 1.00 0.00 H new ATOM 0 HA ASN A 29 8.862 -19.958 -2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.558 -19.687 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.160 -18.978 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.136 -22.469 -5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.792 -20.986 -6.411 1.00 0.00 H new ATOM 434 N LEU A 30 10.763 -17.310 -2.762 1.00 0.00 N ATOM 435 CA LEU A 30 12.012 -16.709 -2.211 1.00 0.00 C ATOM 436 C LEU A 30 11.893 -16.583 -0.691 1.00 0.00 C ATOM 437 O LEU A 30 12.843 -16.802 0.035 1.00 0.00 O ATOM 438 CB LEU A 30 12.222 -15.322 -2.826 1.00 0.00 C ATOM 439 CG LEU A 30 13.602 -14.784 -2.434 1.00 0.00 C ATOM 440 CD1 LEU A 30 13.589 -14.364 -0.962 1.00 0.00 C ATOM 441 CD2 LEU A 30 14.657 -15.872 -2.646 1.00 0.00 C ATOM 0 H LEU A 30 10.155 -16.664 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 30 12.861 -17.348 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.139 -15.379 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.444 -14.640 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 30 13.843 -13.921 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.571 -13.981 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.841 -13.586 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.346 -15.225 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.638 -15.487 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.417 -16.737 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.669 -16.168 -3.695 1.00 0.00 H new ATOM 453 N ILE A 31 10.735 -16.228 -0.203 1.00 0.00 N ATOM 454 CA ILE A 31 10.560 -16.086 1.270 1.00 0.00 C ATOM 455 C ILE A 31 11.036 -17.361 1.976 1.00 0.00 C ATOM 456 O ILE A 31 11.882 -17.312 2.847 1.00 0.00 O ATOM 457 CB ILE A 31 9.083 -15.835 1.589 1.00 0.00 C ATOM 458 CG1 ILE A 31 8.712 -14.406 1.185 1.00 0.00 C ATOM 459 CG2 ILE A 31 8.844 -16.016 3.091 1.00 0.00 C ATOM 460 CD1 ILE A 31 7.205 -14.324 0.927 1.00 0.00 C ATOM 0 H ILE A 31 9.904 -16.031 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 31 11.153 -15.242 1.623 1.00 0.00 H new ATOM 0 HB ILE A 31 8.467 -16.544 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.995 -13.709 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.262 -14.115 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.793 -15.837 3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.110 -17.032 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.460 -15.308 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.940 -13.307 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.935 -15.010 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.665 -14.597 1.834 1.00 0.00 H new ATOM 472 N PRO A 32 10.485 -18.525 1.593 1.00 0.00 N ATOM 473 CA PRO A 32 10.862 -19.811 2.196 1.00 0.00 C ATOM 474 C PRO A 32 12.292 -20.213 1.827 1.00 0.00 C ATOM 475 O PRO A 32 12.894 -21.057 2.461 1.00 0.00 O ATOM 476 CB PRO A 32 9.867 -20.799 1.586 1.00 0.00 C ATOM 477 CG PRO A 32 9.457 -20.167 0.300 1.00 0.00 C ATOM 478 CD PRO A 32 9.457 -18.686 0.548 1.00 0.00 C ATOM 0 HA PRO A 32 10.834 -19.776 3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.326 -21.774 1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.011 -20.957 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.148 -20.428 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.469 -20.511 -0.006 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.706 -18.126 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.482 -18.333 0.883 1.00 0.00 H new ATOM 486 N LYS A 33 12.842 -19.613 0.806 1.00 0.00 N ATOM 487 CA LYS A 33 14.231 -19.959 0.398 1.00 0.00 C ATOM 488 C LYS A 33 15.222 -19.373 1.405 1.00 0.00 C ATOM 489 O LYS A 33 16.229 -19.974 1.723 1.00 0.00 O ATOM 490 CB LYS A 33 14.513 -19.377 -0.988 1.00 0.00 C ATOM 491 CG LYS A 33 14.107 -20.389 -2.061 1.00 0.00 C ATOM 492 CD LYS A 33 14.420 -19.818 -3.444 1.00 0.00 C ATOM 493 CE LYS A 33 13.591 -20.551 -4.500 1.00 0.00 C ATOM 494 NZ LYS A 33 14.275 -21.822 -4.874 1.00 0.00 N ATOM 0 H LYS A 33 12.388 -18.898 0.237 1.00 0.00 H new ATOM 0 HA LYS A 33 14.341 -21.043 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.960 -18.447 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.572 -19.135 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.643 -21.327 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.043 -20.613 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.197 -18.751 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.483 -19.926 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.594 -20.762 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.464 -19.921 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.712 -22.321 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.217 -21.609 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.374 -22.424 -4.032 1.00 0.00 H new ATOM 508 N ILE A 34 14.945 -18.202 1.910 1.00 0.00 N ATOM 509 CA ILE A 34 15.872 -17.576 2.895 1.00 0.00 C ATOM 510 C ILE A 34 15.791 -18.329 4.223 1.00 0.00 C ATOM 511 O ILE A 34 16.736 -18.364 4.987 1.00 0.00 O ATOM 512 CB ILE A 34 15.472 -16.115 3.114 1.00 0.00 C ATOM 513 CG1 ILE A 34 15.575 -15.354 1.792 1.00 0.00 C ATOM 514 CG2 ILE A 34 16.408 -15.480 4.144 1.00 0.00 C ATOM 515 CD1 ILE A 34 14.921 -13.980 1.943 1.00 0.00 C ATOM 0 H ILE A 34 14.117 -17.652 1.683 1.00 0.00 H new ATOM 0 HA ILE A 34 16.892 -17.622 2.513 1.00 0.00 H new ATOM 0 HB ILE A 34 14.446 -16.069 3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.621 -15.241 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.085 -15.916 0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.124 -14.439 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 34 16.334 -16.022 5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.434 -15.525 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.994 -13.437 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.871 -14.104 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 34 15.431 -13.419 2.726 1.00 0.00 H new ATOM 527 N ALA A 35 14.669 -18.932 4.506 1.00 0.00 N ATOM 528 CA ALA A 35 14.528 -19.682 5.785 1.00 0.00 C ATOM 529 C ALA A 35 13.664 -20.922 5.556 1.00 0.00 C ATOM 530 O ALA A 35 12.550 -21.008 6.032 1.00 0.00 O ATOM 531 CB ALA A 35 13.866 -18.785 6.832 1.00 0.00 C ATOM 0 H ALA A 35 13.844 -18.937 3.906 1.00 0.00 H new ATOM 0 HA ALA A 35 15.513 -19.986 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.763 -19.334 7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.482 -17.901 6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.881 -18.480 6.479 1.00 0.00 H new ATOM 537 N PRO A 36 14.194 -21.902 4.810 1.00 0.00 N ATOM 538 CA PRO A 36 13.474 -23.146 4.512 1.00 0.00 C ATOM 539 C PRO A 36 13.325 -24.025 5.756 1.00 0.00 C ATOM 540 O PRO A 36 12.373 -24.769 5.892 1.00 0.00 O ATOM 541 CB PRO A 36 14.367 -23.839 3.483 1.00 0.00 C ATOM 542 CG PRO A 36 15.730 -23.291 3.739 1.00 0.00 C ATOM 543 CD PRO A 36 15.535 -21.874 4.200 1.00 0.00 C ATOM 0 HA PRO A 36 12.461 -22.959 4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.346 -24.922 3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.039 -23.626 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.249 -23.878 4.496 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.339 -23.326 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.298 -21.575 4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.585 -21.170 3.370 1.00 0.00 H new ATOM 551 N GLN A 37 14.255 -23.942 6.667 1.00 0.00 N ATOM 552 CA GLN A 37 14.162 -24.769 7.902 1.00 0.00 C ATOM 553 C GLN A 37 13.048 -24.219 8.795 1.00 0.00 C ATOM 554 O GLN A 37 12.438 -24.940 9.559 1.00 0.00 O ATOM 555 CB GLN A 37 15.494 -24.712 8.656 1.00 0.00 C ATOM 556 CG GLN A 37 16.575 -25.420 7.837 1.00 0.00 C ATOM 557 CD GLN A 37 17.909 -25.343 8.582 1.00 0.00 C ATOM 558 OE1 GLN A 37 18.050 -24.585 9.522 1.00 0.00 O ATOM 559 NE2 GLN A 37 18.901 -26.100 8.200 1.00 0.00 N ATOM 0 H GLN A 37 15.075 -23.338 6.609 1.00 0.00 H new ATOM 0 HA GLN A 37 13.941 -25.802 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.779 -23.675 8.835 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.392 -25.187 9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.298 -26.461 7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.667 -24.955 6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.783 -26.736 7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.794 -26.056 8.690 1.00 0.00 H new ATOM 568 N ALA A 38 12.779 -22.946 8.702 1.00 0.00 N ATOM 569 CA ALA A 38 11.705 -22.347 9.543 1.00 0.00 C ATOM 570 C ALA A 38 10.339 -22.821 9.042 1.00 0.00 C ATOM 571 O ALA A 38 9.508 -23.270 9.807 1.00 0.00 O ATOM 572 CB ALA A 38 11.780 -20.821 9.453 1.00 0.00 C ATOM 0 H ALA A 38 13.257 -22.294 8.080 1.00 0.00 H new ATOM 0 HA ALA A 38 11.839 -22.658 10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.995 -20.381 10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.753 -20.483 9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.646 -20.511 8.417 1.00 0.00 H new ATOM 578 N VAL A 39 10.099 -22.724 7.762 1.00 0.00 N ATOM 579 CA VAL A 39 8.786 -23.170 7.213 1.00 0.00 C ATOM 580 C VAL A 39 9.012 -24.291 6.197 1.00 0.00 C ATOM 581 O VAL A 39 10.038 -24.359 5.550 1.00 0.00 O ATOM 582 CB VAL A 39 8.095 -21.990 6.528 1.00 0.00 C ATOM 583 CG1 VAL A 39 9.062 -21.332 5.541 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.858 -22.487 5.775 1.00 0.00 C ATOM 0 H VAL A 39 10.755 -22.355 7.073 1.00 0.00 H new ATOM 0 HA VAL A 39 8.158 -23.538 8.024 1.00 0.00 H new ATOM 0 HB VAL A 39 7.794 -21.262 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.568 -20.491 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.942 -20.975 6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.366 -22.060 4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.366 -21.645 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.158 -23.217 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.167 -22.953 6.478 1.00 0.00 H new ATOM 594 N LYS A 40 8.059 -25.173 6.050 1.00 0.00 N ATOM 595 CA LYS A 40 8.221 -26.290 5.076 1.00 0.00 C ATOM 596 C LYS A 40 8.024 -25.762 3.652 1.00 0.00 C ATOM 597 O LYS A 40 8.844 -25.975 2.782 1.00 0.00 O ATOM 598 CB LYS A 40 7.180 -27.374 5.362 1.00 0.00 C ATOM 599 CG LYS A 40 7.493 -28.615 4.523 1.00 0.00 C ATOM 600 CD LYS A 40 6.470 -29.710 4.831 1.00 0.00 C ATOM 601 CE LYS A 40 6.859 -30.993 4.093 1.00 0.00 C ATOM 602 NZ LYS A 40 5.797 -31.342 3.108 1.00 0.00 N ATOM 0 H LYS A 40 7.177 -25.168 6.562 1.00 0.00 H new ATOM 0 HA LYS A 40 9.222 -26.710 5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.185 -27.628 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.181 -27.005 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.467 -28.366 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.500 -28.971 4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.430 -29.893 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.474 -29.389 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.812 -30.857 3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.992 -31.808 4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.062 -32.214 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.896 -31.489 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.691 -30.567 2.423 1.00 0.00 H new ATOM 616 N CYS A 41 6.940 -25.075 3.409 1.00 0.00 N ATOM 617 CA CYS A 41 6.691 -24.535 2.041 1.00 0.00 C ATOM 618 C CYS A 41 5.366 -23.770 2.029 1.00 0.00 C ATOM 619 O CYS A 41 4.375 -24.217 2.572 1.00 0.00 O ATOM 620 CB CYS A 41 6.621 -25.689 1.040 1.00 0.00 C ATOM 621 SG CYS A 41 8.038 -25.598 -0.084 1.00 0.00 S ATOM 0 H CYS A 41 6.217 -24.865 4.097 1.00 0.00 H new ATOM 0 HA CYS A 41 7.503 -23.863 1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.622 -26.643 1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.691 -25.638 0.475 1.00 0.00 H new ATOM 0 HG CYS A 41 9.139 -25.736 0.593 1.00 0.00 H new ATOM 627 N ALA A 42 5.339 -22.620 1.412 1.00 0.00 N ATOM 628 CA ALA A 42 4.078 -21.829 1.364 1.00 0.00 C ATOM 629 C ALA A 42 3.307 -22.172 0.087 1.00 0.00 C ATOM 630 O ALA A 42 3.848 -22.146 -1.001 1.00 0.00 O ATOM 631 CB ALA A 42 4.413 -20.336 1.371 1.00 0.00 C ATOM 0 H ALA A 42 6.136 -22.195 0.939 1.00 0.00 H new ATOM 0 HA ALA A 42 3.466 -22.069 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.491 -19.756 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.962 -20.090 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.026 -20.096 0.502 1.00 0.00 H new ATOM 637 N GLU A 43 2.048 -22.492 0.211 1.00 0.00 N ATOM 638 CA GLU A 43 1.243 -22.835 -0.996 1.00 0.00 C ATOM 639 C GLU A 43 0.073 -21.857 -1.122 1.00 0.00 C ATOM 640 O GLU A 43 -0.443 -21.363 -0.138 1.00 0.00 O ATOM 641 CB GLU A 43 0.706 -24.261 -0.864 1.00 0.00 C ATOM 642 CG GLU A 43 1.876 -25.237 -0.728 1.00 0.00 C ATOM 643 CD GLU A 43 1.341 -26.669 -0.651 1.00 0.00 C ATOM 644 OE1 GLU A 43 0.139 -26.824 -0.514 1.00 0.00 O ATOM 645 OE2 GLU A 43 2.142 -27.586 -0.732 1.00 0.00 O ATOM 0 H GLU A 43 1.542 -22.531 1.096 1.00 0.00 H new ATOM 0 HA GLU A 43 1.871 -22.766 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.053 -24.336 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.105 -24.517 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.549 -25.135 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.455 -25.005 0.166 1.00 0.00 H new ATOM 652 N ILE A 44 -0.349 -21.573 -2.323 1.00 0.00 N ATOM 653 CA ILE A 44 -1.484 -20.626 -2.511 1.00 0.00 C ATOM 654 C ILE A 44 -2.739 -21.405 -2.912 1.00 0.00 C ATOM 655 O ILE A 44 -2.773 -22.066 -3.930 1.00 0.00 O ATOM 656 CB ILE A 44 -1.135 -19.624 -3.614 1.00 0.00 C ATOM 657 CG1 ILE A 44 0.208 -18.962 -3.296 1.00 0.00 C ATOM 658 CG2 ILE A 44 -2.225 -18.553 -3.693 1.00 0.00 C ATOM 659 CD1 ILE A 44 0.592 -18.014 -4.436 1.00 0.00 C ATOM 0 H ILE A 44 0.043 -21.956 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.669 -20.093 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.066 -20.144 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.141 -18.411 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.978 -19.722 -3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.977 -17.839 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.182 -19.024 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.294 -18.032 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.548 -17.542 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.676 -18.578 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.174 -17.247 -4.545 1.00 0.00 H new ATOM 671 N LEU A 45 -3.771 -21.332 -2.118 1.00 0.00 N ATOM 672 CA LEU A 45 -5.022 -22.068 -2.455 1.00 0.00 C ATOM 673 C LEU A 45 -5.614 -21.503 -3.748 1.00 0.00 C ATOM 674 O LEU A 45 -6.025 -22.235 -4.625 1.00 0.00 O ATOM 675 CB LEU A 45 -6.032 -21.907 -1.318 1.00 0.00 C ATOM 676 CG LEU A 45 -7.245 -22.800 -1.583 1.00 0.00 C ATOM 677 CD1 LEU A 45 -6.858 -24.263 -1.359 1.00 0.00 C ATOM 678 CD2 LEU A 45 -8.378 -22.420 -0.629 1.00 0.00 C ATOM 0 H LEU A 45 -3.802 -20.795 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.795 -23.125 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.571 -22.174 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.344 -20.866 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.578 -22.665 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.722 -24.901 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.051 -24.534 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.525 -24.398 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.242 -23.057 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.047 -22.554 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.654 -21.378 -0.788 1.00 0.00 H new ATOM 690 N GLU A 46 -5.659 -20.204 -3.872 1.00 0.00 N ATOM 691 CA GLU A 46 -6.225 -19.593 -5.109 1.00 0.00 C ATOM 692 C GLU A 46 -5.718 -18.156 -5.247 1.00 0.00 C ATOM 693 O GLU A 46 -5.361 -17.518 -4.276 1.00 0.00 O ATOM 694 CB GLU A 46 -7.753 -19.587 -5.022 1.00 0.00 C ATOM 695 CG GLU A 46 -8.271 -21.027 -4.991 1.00 0.00 C ATOM 696 CD GLU A 46 -9.799 -21.020 -5.081 1.00 0.00 C ATOM 697 OE1 GLU A 46 -10.371 -19.944 -5.026 1.00 0.00 O ATOM 698 OE2 GLU A 46 -10.370 -22.092 -5.204 1.00 0.00 O ATOM 0 H GLU A 46 -5.329 -19.540 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.912 -20.174 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.074 -19.055 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.174 -19.057 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.850 -21.595 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.952 -21.520 -4.073 1.00 0.00 H new ATOM 705 N GLY A 47 -5.685 -17.640 -6.446 1.00 0.00 N ATOM 706 CA GLY A 47 -5.202 -16.243 -6.644 1.00 0.00 C ATOM 707 C GLY A 47 -3.784 -16.271 -7.217 1.00 0.00 C ATOM 708 O GLY A 47 -3.436 -15.485 -8.076 1.00 0.00 O ATOM 0 H GLY A 47 -5.971 -18.125 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.869 -15.709 -7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.212 -15.705 -5.696 1.00 0.00 H new ATOM 712 N ASP A 48 -2.963 -17.170 -6.749 1.00 0.00 N ATOM 713 CA ASP A 48 -1.567 -17.249 -7.265 1.00 0.00 C ATOM 714 C ASP A 48 -0.837 -15.940 -6.963 1.00 0.00 C ATOM 715 O ASP A 48 -0.096 -15.428 -7.778 1.00 0.00 O ATOM 716 CB ASP A 48 -1.594 -17.482 -8.778 1.00 0.00 C ATOM 717 CG ASP A 48 -2.153 -18.876 -9.068 1.00 0.00 C ATOM 718 OD1 ASP A 48 -2.303 -19.640 -8.128 1.00 0.00 O ATOM 719 OD2 ASP A 48 -2.423 -19.156 -10.225 1.00 0.00 O ATOM 0 H ASP A 48 -3.199 -17.854 -6.030 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.047 -18.075 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.209 -16.724 -9.263 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.589 -17.388 -9.189 1.00 0.00 H new ATOM 724 N GLY A 49 -1.039 -15.394 -5.796 1.00 0.00 N ATOM 725 CA GLY A 49 -0.354 -14.119 -5.441 1.00 0.00 C ATOM 726 C GLY A 49 -1.137 -12.940 -6.023 1.00 0.00 C ATOM 727 O GLY A 49 -0.567 -11.959 -6.459 1.00 0.00 O ATOM 0 H GLY A 49 -1.649 -15.775 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.282 -14.022 -4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.664 -14.120 -5.830 1.00 0.00 H new ATOM 731 N GLY A 50 -2.439 -13.025 -6.030 1.00 0.00 N ATOM 732 CA GLY A 50 -3.256 -11.909 -6.582 1.00 0.00 C ATOM 733 C GLY A 50 -4.192 -11.380 -5.495 1.00 0.00 C ATOM 734 O GLY A 50 -4.027 -11.669 -4.326 1.00 0.00 O ATOM 0 H GLY A 50 -2.972 -13.820 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.606 -11.110 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.834 -12.256 -7.438 1.00 0.00 H new ATOM 738 N PRO A 51 -5.198 -10.589 -5.894 1.00 0.00 N ATOM 739 CA PRO A 51 -6.173 -10.013 -4.960 1.00 0.00 C ATOM 740 C PRO A 51 -7.099 -11.082 -4.374 1.00 0.00 C ATOM 741 O PRO A 51 -7.664 -11.887 -5.088 1.00 0.00 O ATOM 742 CB PRO A 51 -6.975 -9.047 -5.832 1.00 0.00 C ATOM 743 CG PRO A 51 -6.835 -9.585 -7.215 1.00 0.00 C ATOM 744 CD PRO A 51 -5.465 -10.196 -7.290 1.00 0.00 C ATOM 0 HA PRO A 51 -5.691 -9.537 -4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.020 -9.010 -5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.586 -8.031 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.605 -10.328 -7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.949 -8.792 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.442 -11.054 -7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.726 -9.484 -7.657 1.00 0.00 H new ATOM 752 N GLY A 52 -7.257 -11.099 -3.080 1.00 0.00 N ATOM 753 CA GLY A 52 -8.144 -12.117 -2.451 1.00 0.00 C ATOM 754 C GLY A 52 -7.500 -13.499 -2.576 1.00 0.00 C ATOM 755 O GLY A 52 -8.171 -14.511 -2.570 1.00 0.00 O ATOM 0 H GLY A 52 -6.810 -10.452 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.308 -11.874 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.121 -12.114 -2.935 1.00 0.00 H new ATOM 759 N THR A 53 -6.201 -13.547 -2.691 1.00 0.00 N ATOM 760 CA THR A 53 -5.511 -14.862 -2.818 1.00 0.00 C ATOM 761 C THR A 53 -5.358 -15.493 -1.433 1.00 0.00 C ATOM 762 O THR A 53 -5.169 -14.811 -0.447 1.00 0.00 O ATOM 763 CB THR A 53 -4.128 -14.653 -3.440 1.00 0.00 C ATOM 764 OG1 THR A 53 -4.273 -14.092 -4.737 1.00 0.00 O ATOM 765 CG2 THR A 53 -3.400 -15.995 -3.542 1.00 0.00 C ATOM 0 H THR A 53 -5.587 -12.732 -2.703 1.00 0.00 H new ATOM 0 HA THR A 53 -6.100 -15.522 -3.455 1.00 0.00 H new ATOM 0 HB THR A 53 -3.548 -13.976 -2.813 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.224 -13.955 -4.930 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.416 -15.842 -3.985 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.287 -16.424 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.978 -16.676 -4.167 1.00 0.00 H new ATOM 773 N ILE A 54 -5.435 -16.794 -1.353 1.00 0.00 N ATOM 774 CA ILE A 54 -5.292 -17.469 -0.033 1.00 0.00 C ATOM 775 C ILE A 54 -4.034 -18.338 -0.040 1.00 0.00 C ATOM 776 O ILE A 54 -3.795 -19.093 -0.961 1.00 0.00 O ATOM 777 CB ILE A 54 -6.517 -18.347 0.227 1.00 0.00 C ATOM 778 CG1 ILE A 54 -7.790 -17.526 0.012 1.00 0.00 C ATOM 779 CG2 ILE A 54 -6.481 -18.860 1.668 1.00 0.00 C ATOM 780 CD1 ILE A 54 -7.700 -16.226 0.814 1.00 0.00 C ATOM 0 H ILE A 54 -5.591 -17.418 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.211 -16.718 0.753 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.509 -19.192 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.918 -17.304 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.663 -18.099 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.354 -19.486 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.575 -19.446 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.488 -18.014 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.607 -15.641 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.593 -16.459 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.836 -15.651 0.480 1.00 0.00 H new ATOM 792 N LYS A 55 -3.225 -18.237 0.979 1.00 0.00 N ATOM 793 CA LYS A 55 -1.983 -19.059 1.026 1.00 0.00 C ATOM 794 C LYS A 55 -1.904 -19.788 2.368 1.00 0.00 C ATOM 795 O LYS A 55 -2.367 -19.301 3.379 1.00 0.00 O ATOM 796 CB LYS A 55 -0.763 -18.149 0.866 1.00 0.00 C ATOM 797 CG LYS A 55 -0.981 -17.207 -0.319 1.00 0.00 C ATOM 798 CD LYS A 55 0.317 -16.455 -0.620 1.00 0.00 C ATOM 799 CE LYS A 55 0.585 -15.437 0.489 1.00 0.00 C ATOM 800 NZ LYS A 55 1.819 -15.823 1.230 1.00 0.00 N ATOM 0 H LYS A 55 -3.370 -17.622 1.780 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.000 -19.789 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.604 -17.573 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.133 -18.749 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.296 -17.774 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.779 -16.500 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.148 -17.157 -0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.242 -15.949 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.701 -14.441 0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.264 -15.395 1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.126 -15.031 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.621 -16.652 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.573 -16.056 0.552 1.00 0.00 H new ATOM 814 N LYS A 56 -1.321 -20.955 2.384 1.00 0.00 N ATOM 815 CA LYS A 56 -1.212 -21.717 3.660 1.00 0.00 C ATOM 816 C LYS A 56 0.260 -22.022 3.942 1.00 0.00 C ATOM 817 O LYS A 56 0.954 -22.592 3.124 1.00 0.00 O ATOM 818 CB LYS A 56 -1.993 -23.027 3.540 1.00 0.00 C ATOM 819 CG LYS A 56 -2.035 -23.722 4.901 1.00 0.00 C ATOM 820 CD LYS A 56 -2.836 -25.021 4.785 1.00 0.00 C ATOM 821 CE LYS A 56 -2.101 -25.991 3.858 1.00 0.00 C ATOM 822 NZ LYS A 56 -2.570 -25.792 2.457 1.00 0.00 N ATOM 0 H LYS A 56 -0.915 -21.414 1.568 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.624 -21.124 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.006 -22.828 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.523 -23.677 2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.023 -23.936 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.491 -23.066 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.966 -25.470 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.832 -24.813 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.025 -25.825 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.284 -27.019 4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.969 -26.682 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.300 -25.052 2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.768 -25.504 1.860 1.00 0.00 H new ATOM 836 N ILE A 57 0.744 -21.647 5.095 1.00 0.00 N ATOM 837 CA ILE A 57 2.171 -21.917 5.425 1.00 0.00 C ATOM 838 C ILE A 57 2.252 -22.888 6.604 1.00 0.00 C ATOM 839 O ILE A 57 1.552 -22.748 7.586 1.00 0.00 O ATOM 840 CB ILE A 57 2.864 -20.605 5.797 1.00 0.00 C ATOM 841 CG1 ILE A 57 2.573 -19.551 4.727 1.00 0.00 C ATOM 842 CG2 ILE A 57 4.374 -20.836 5.887 1.00 0.00 C ATOM 843 CD1 ILE A 57 2.645 -18.156 5.352 1.00 0.00 C ATOM 0 H ILE A 57 0.213 -21.166 5.821 1.00 0.00 H new ATOM 0 HA ILE A 57 2.665 -22.358 4.559 1.00 0.00 H new ATOM 0 HB ILE A 57 2.490 -20.257 6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.294 -19.634 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.586 -19.718 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.870 -19.902 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.582 -21.587 6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.747 -21.184 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.438 -17.405 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.907 -18.076 6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.642 -17.992 5.762 1.00 0.00 H new ATOM 855 N THR A 58 3.102 -23.875 6.512 1.00 0.00 N ATOM 856 CA THR A 58 3.229 -24.855 7.627 1.00 0.00 C ATOM 857 C THR A 58 4.630 -24.754 8.234 1.00 0.00 C ATOM 858 O THR A 58 5.607 -24.560 7.537 1.00 0.00 O ATOM 859 CB THR A 58 3.007 -26.271 7.089 1.00 0.00 C ATOM 860 OG1 THR A 58 4.142 -26.673 6.337 1.00 0.00 O ATOM 861 CG2 THR A 58 1.766 -26.290 6.195 1.00 0.00 C ATOM 0 H THR A 58 3.713 -24.044 5.713 1.00 0.00 H new ATOM 0 HA THR A 58 2.484 -24.636 8.392 1.00 0.00 H new ATOM 0 HB THR A 58 2.861 -26.958 7.922 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.002 -27.580 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.609 -27.298 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.896 -25.982 6.774 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.908 -25.603 5.360 1.00 0.00 H new ATOM 869 N PHE A 59 4.738 -24.882 9.528 1.00 0.00 N ATOM 870 CA PHE A 59 6.077 -24.792 10.177 1.00 0.00 C ATOM 871 C PHE A 59 6.405 -26.120 10.863 1.00 0.00 C ATOM 872 O PHE A 59 5.551 -26.752 11.455 1.00 0.00 O ATOM 873 CB PHE A 59 6.066 -23.669 11.216 1.00 0.00 C ATOM 874 CG PHE A 59 5.725 -22.362 10.539 1.00 0.00 C ATOM 875 CD1 PHE A 59 6.744 -21.570 9.995 1.00 0.00 C ATOM 876 CD2 PHE A 59 4.392 -21.943 10.455 1.00 0.00 C ATOM 877 CE1 PHE A 59 6.427 -20.357 9.367 1.00 0.00 C ATOM 878 CE2 PHE A 59 4.076 -20.731 9.829 1.00 0.00 C ATOM 879 CZ PHE A 59 5.095 -19.939 9.284 1.00 0.00 C ATOM 0 H PHE A 59 3.957 -25.045 10.164 1.00 0.00 H new ATOM 0 HA PHE A 59 6.832 -24.580 9.420 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.337 -23.888 11.996 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.040 -23.597 11.700 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.773 -21.893 10.059 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.607 -22.555 10.873 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.212 -19.745 8.947 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.048 -20.407 9.766 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.852 -19.005 8.799 1.00 0.00 H new ATOM 974 N TYR A 67 0.595 -23.719 11.822 1.00 0.00 N ATOM 975 CA TYR A 67 0.638 -23.241 10.412 1.00 0.00 C ATOM 976 C TYR A 67 -0.014 -21.859 10.324 1.00 0.00 C ATOM 977 O TYR A 67 -0.928 -21.546 11.060 1.00 0.00 O ATOM 978 CB TYR A 67 -0.120 -24.223 9.516 1.00 0.00 C ATOM 979 CG TYR A 67 -1.600 -24.129 9.805 1.00 0.00 C ATOM 980 CD1 TYR A 67 -2.155 -24.860 10.862 1.00 0.00 C ATOM 981 CD2 TYR A 67 -2.417 -23.311 9.015 1.00 0.00 C ATOM 982 CE1 TYR A 67 -3.526 -24.772 11.128 1.00 0.00 C ATOM 983 CE2 TYR A 67 -3.789 -23.224 9.281 1.00 0.00 C ATOM 984 CZ TYR A 67 -4.343 -23.955 10.338 1.00 0.00 C ATOM 985 OH TYR A 67 -5.695 -23.870 10.601 1.00 0.00 O ATOM 0 HA TYR A 67 1.674 -23.176 10.081 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.072 -23.997 8.467 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.232 -25.239 9.693 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.526 -25.491 11.472 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.989 -22.747 8.200 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.954 -25.335 11.944 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.419 -22.593 8.671 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.115 -23.259 9.960 1.00 0.00 H new ATOM 995 N VAL A 68 0.449 -21.030 9.430 1.00 0.00 N ATOM 996 CA VAL A 68 -0.144 -19.669 9.298 1.00 0.00 C ATOM 997 C VAL A 68 -0.596 -19.446 7.853 1.00 0.00 C ATOM 998 O VAL A 68 0.021 -19.920 6.920 1.00 0.00 O ATOM 999 CB VAL A 68 0.903 -18.618 9.674 1.00 0.00 C ATOM 1000 CG1 VAL A 68 0.257 -17.231 9.671 1.00 0.00 C ATOM 1001 CG2 VAL A 68 1.453 -18.923 11.069 1.00 0.00 C ATOM 0 H VAL A 68 1.212 -21.236 8.785 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.003 -19.581 9.964 1.00 0.00 H new ATOM 0 HB VAL A 68 1.717 -18.640 8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.002 -16.482 9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.135 -17.014 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.557 -17.207 10.395 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.199 -18.175 11.338 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.639 -18.901 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.913 -19.911 11.071 1.00 0.00 H new ATOM 1011 N LYS A 69 -1.669 -18.728 7.661 1.00 0.00 N ATOM 1012 CA LYS A 69 -2.158 -18.475 6.278 1.00 0.00 C ATOM 1013 C LYS A 69 -2.026 -16.987 5.953 1.00 0.00 C ATOM 1014 O LYS A 69 -2.233 -16.137 6.796 1.00 0.00 O ATOM 1015 CB LYS A 69 -3.626 -18.891 6.171 1.00 0.00 C ATOM 1016 CG LYS A 69 -3.762 -20.379 6.500 1.00 0.00 C ATOM 1017 CD LYS A 69 -5.239 -20.777 6.464 1.00 0.00 C ATOM 1018 CE LYS A 69 -5.743 -20.738 5.020 1.00 0.00 C ATOM 1019 NZ LYS A 69 -6.687 -21.869 4.792 1.00 0.00 N ATOM 0 H LYS A 69 -2.227 -18.306 8.403 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.563 -19.055 5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.233 -18.300 6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.998 -18.695 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.197 -20.974 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.343 -20.584 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.367 -21.777 6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.825 -20.098 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.242 -19.789 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.903 -20.806 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.030 -21.843 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.197 -22.770 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.494 -21.784 5.443 1.00 0.00 H new ATOM 1033 N HIS A 70 -1.680 -16.663 4.737 1.00 0.00 N ATOM 1034 CA HIS A 70 -1.533 -15.229 4.358 1.00 0.00 C ATOM 1035 C HIS A 70 -2.562 -14.878 3.282 1.00 0.00 C ATOM 1036 O HIS A 70 -2.735 -15.596 2.317 1.00 0.00 O ATOM 1037 CB HIS A 70 -0.124 -14.987 3.817 1.00 0.00 C ATOM 1038 CG HIS A 70 0.875 -15.140 4.931 1.00 0.00 C ATOM 1039 ND1 HIS A 70 0.725 -15.220 6.293 1.00 0.00 N flip ATOM 1040 CD2 HIS A 70 2.238 -15.229 4.695 1.00 0.00 C flip ATOM 1041 CE1 HIS A 70 1.971 -15.357 6.895 1.00 0.00 C flip ATOM 1042 NE2 HIS A 70 2.848 -15.356 5.888 1.00 0.00 N flip ATOM 0 H HIS A 70 -1.493 -17.330 3.989 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.697 -14.602 5.234 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.096 -15.694 3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.055 -13.988 3.387 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.722 -15.201 3.730 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.184 -15.445 7.950 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.857 -15.441 6.008 1.00 0.00 H new ATOM 1050 N LYS A 71 -3.247 -13.778 3.438 1.00 0.00 N ATOM 1051 CA LYS A 71 -4.263 -13.382 2.422 1.00 0.00 C ATOM 1052 C LYS A 71 -3.828 -12.082 1.744 1.00 0.00 C ATOM 1053 O LYS A 71 -3.360 -11.162 2.385 1.00 0.00 O ATOM 1054 CB LYS A 71 -5.615 -13.172 3.108 1.00 0.00 C ATOM 1055 CG LYS A 71 -6.700 -12.983 2.046 1.00 0.00 C ATOM 1056 CD LYS A 71 -8.032 -12.663 2.727 1.00 0.00 C ATOM 1057 CE LYS A 71 -9.148 -12.645 1.681 1.00 0.00 C ATOM 1058 NZ LYS A 71 -10.468 -12.780 2.360 1.00 0.00 N ATOM 0 H LYS A 71 -3.147 -13.137 4.225 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.353 -14.169 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.853 -14.029 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.573 -12.299 3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.423 -12.176 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.795 -13.886 1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.249 -13.407 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.973 -11.697 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.113 -11.716 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.008 -13.459 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.227 -12.768 1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.499 -13.678 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.601 -11.989 3.022 1.00 0.00 H new ATOM 1072 N ILE A 72 -3.980 -11.997 0.451 1.00 0.00 N ATOM 1073 CA ILE A 72 -3.577 -10.756 -0.268 1.00 0.00 C ATOM 1074 C ILE A 72 -4.821 -9.924 -0.584 1.00 0.00 C ATOM 1075 O ILE A 72 -5.823 -10.436 -1.042 1.00 0.00 O ATOM 1076 CB ILE A 72 -2.868 -11.129 -1.571 1.00 0.00 C ATOM 1077 CG1 ILE A 72 -1.708 -12.079 -1.268 1.00 0.00 C ATOM 1078 CG2 ILE A 72 -2.330 -9.863 -2.240 1.00 0.00 C ATOM 1079 CD1 ILE A 72 -1.038 -12.499 -2.579 1.00 0.00 C ATOM 0 H ILE A 72 -4.366 -12.734 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.901 -10.175 0.360 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.574 -11.621 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.983 -11.590 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.073 -12.957 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.825 -10.129 -3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.157 -9.187 -2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.624 -9.370 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.211 -13.176 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.766 -13.005 -3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.660 -11.616 -3.093 1.00 0.00 H new ATOM 1091 N HIS A 73 -4.765 -8.641 -0.345 1.00 0.00 N ATOM 1092 CA HIS A 73 -5.946 -7.780 -0.633 1.00 0.00 C ATOM 1093 C HIS A 73 -5.842 -7.235 -2.059 1.00 0.00 C ATOM 1094 O HIS A 73 -6.791 -7.267 -2.817 1.00 0.00 O ATOM 1095 CB HIS A 73 -5.982 -6.614 0.358 1.00 0.00 C ATOM 1096 CG HIS A 73 -6.312 -7.134 1.731 1.00 0.00 C ATOM 1097 ND1 HIS A 73 -7.573 -7.609 2.057 1.00 0.00 N ATOM 1098 CD2 HIS A 73 -5.556 -7.263 2.869 1.00 0.00 C ATOM 1099 CE1 HIS A 73 -7.538 -7.997 3.345 1.00 0.00 C ATOM 1100 NE2 HIS A 73 -6.332 -7.807 3.888 1.00 0.00 N ATOM 0 H HIS A 73 -3.954 -8.154 0.036 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.858 -8.368 -0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.018 -6.105 0.372 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.726 -5.881 0.047 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.380 -7.656 1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.516 -6.985 2.960 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.382 -8.412 3.876 1.00 0.00 H new ATOM 1108 N SER A 74 -4.696 -6.733 -2.430 1.00 0.00 N ATOM 1109 CA SER A 74 -4.532 -6.188 -3.806 1.00 0.00 C ATOM 1110 C SER A 74 -3.067 -5.814 -4.036 1.00 0.00 C ATOM 1111 O SER A 74 -2.369 -5.413 -3.125 1.00 0.00 O ATOM 1112 CB SER A 74 -5.407 -4.942 -3.970 1.00 0.00 C ATOM 1113 OG SER A 74 -5.292 -4.455 -5.298 1.00 0.00 O ATOM 0 H SER A 74 -3.866 -6.677 -1.839 1.00 0.00 H new ATOM 0 HA SER A 74 -4.833 -6.943 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.447 -5.183 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.100 -4.173 -3.261 1.00 0.00 H new ATOM 0 HG SER A 74 -5.853 -3.659 -5.404 1.00 0.00 H new ATOM 1119 N ILE A 75 -2.595 -5.942 -5.245 1.00 0.00 N ATOM 1120 CA ILE A 75 -1.175 -5.594 -5.532 1.00 0.00 C ATOM 1121 C ILE A 75 -1.122 -4.543 -6.643 1.00 0.00 C ATOM 1122 O ILE A 75 -1.925 -4.549 -7.555 1.00 0.00 O ATOM 1123 CB ILE A 75 -0.425 -6.849 -5.984 1.00 0.00 C ATOM 1124 CG1 ILE A 75 -1.006 -7.342 -7.310 1.00 0.00 C ATOM 1125 CG2 ILE A 75 -0.577 -7.943 -4.924 1.00 0.00 C ATOM 1126 CD1 ILE A 75 -0.245 -8.588 -7.769 1.00 0.00 C ATOM 0 H ILE A 75 -3.131 -6.273 -6.047 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.709 -5.195 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 75 0.631 -6.613 -6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.065 -7.572 -7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.932 -6.559 -8.065 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.043 -8.837 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.163 -7.593 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.633 -8.178 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.659 -8.940 -8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.808 -8.342 -7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.342 -9.371 -7.017 1.00 0.00 H new ATOM 1138 N ASP A 76 -0.182 -3.640 -6.574 1.00 0.00 N ATOM 1139 CA ASP A 76 -0.080 -2.590 -7.627 1.00 0.00 C ATOM 1140 C ASP A 76 1.299 -2.662 -8.285 1.00 0.00 C ATOM 1141 O ASP A 76 2.247 -2.050 -7.834 1.00 0.00 O ATOM 1142 CB ASP A 76 -0.271 -1.211 -6.992 1.00 0.00 C ATOM 1143 CG ASP A 76 -1.716 -1.069 -6.511 1.00 0.00 C ATOM 1144 OD1 ASP A 76 -2.524 -1.912 -6.866 1.00 0.00 O ATOM 1145 OD2 ASP A 76 -1.991 -0.119 -5.796 1.00 0.00 O ATOM 0 H ASP A 76 0.519 -3.584 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.851 -2.753 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.416 -1.085 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.039 -0.430 -7.716 1.00 0.00 H new ATOM 1150 N LYS A 77 1.420 -3.407 -9.351 1.00 0.00 N ATOM 1151 CA LYS A 77 2.737 -3.518 -10.037 1.00 0.00 C ATOM 1152 C LYS A 77 3.148 -2.145 -10.574 1.00 0.00 C ATOM 1153 O LYS A 77 4.309 -1.785 -10.560 1.00 0.00 O ATOM 1154 CB LYS A 77 2.625 -4.506 -11.199 1.00 0.00 C ATOM 1155 CG LYS A 77 2.354 -5.910 -10.651 1.00 0.00 C ATOM 1156 CD LYS A 77 2.382 -6.920 -11.800 1.00 0.00 C ATOM 1157 CE LYS A 77 1.930 -8.289 -11.286 1.00 0.00 C ATOM 1158 NZ LYS A 77 1.251 -9.032 -12.385 1.00 0.00 N ATOM 0 H LYS A 77 0.663 -3.943 -9.775 1.00 0.00 H new ATOM 0 HA LYS A 77 3.487 -3.872 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.821 -4.205 -11.870 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.546 -4.503 -11.783 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.104 -6.172 -9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.385 -5.937 -10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.728 -6.588 -12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.388 -6.989 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.788 -8.856 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.252 -8.167 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.943 -9.962 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.423 -8.493 -12.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.912 -9.160 -13.177 1.00 0.00 H new ATOM 1172 N VAL A 78 2.206 -1.376 -11.047 1.00 0.00 N ATOM 1173 CA VAL A 78 2.544 -0.028 -11.583 1.00 0.00 C ATOM 1174 C VAL A 78 2.965 0.888 -10.432 1.00 0.00 C ATOM 1175 O VAL A 78 3.907 1.647 -10.543 1.00 0.00 O ATOM 1176 CB VAL A 78 1.320 0.565 -12.283 1.00 0.00 C ATOM 1177 CG1 VAL A 78 1.609 2.016 -12.673 1.00 0.00 C ATOM 1178 CG2 VAL A 78 1.007 -0.250 -13.540 1.00 0.00 C ATOM 0 H VAL A 78 1.217 -1.623 -11.085 1.00 0.00 H new ATOM 0 HA VAL A 78 3.363 -0.117 -12.296 1.00 0.00 H new ATOM 0 HB VAL A 78 0.464 0.534 -11.608 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.737 2.439 -13.172 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.832 2.596 -11.777 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.464 2.048 -13.348 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.135 0.172 -14.039 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.862 -0.220 -14.215 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.801 -1.284 -13.262 1.00 0.00 H new ATOM 1188 N ASN A 79 2.273 0.824 -9.327 1.00 0.00 N ATOM 1189 CA ASN A 79 2.634 1.692 -8.170 1.00 0.00 C ATOM 1190 C ASN A 79 3.643 0.964 -7.279 1.00 0.00 C ATOM 1191 O ASN A 79 4.065 1.475 -6.259 1.00 0.00 O ATOM 1192 CB ASN A 79 1.375 2.010 -7.361 1.00 0.00 C ATOM 1193 CG ASN A 79 0.341 2.678 -8.268 1.00 0.00 C ATOM 1194 OD1 ASN A 79 0.610 3.701 -8.864 1.00 0.00 O ATOM 1195 ND2 ASN A 79 -0.840 2.139 -8.398 1.00 0.00 N ATOM 0 H ASN A 79 1.474 0.209 -9.175 1.00 0.00 H new ATOM 0 HA ASN A 79 3.076 2.619 -8.535 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.963 1.095 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.622 2.667 -6.527 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.537 2.577 -9.000 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.066 1.280 -7.897 1.00 0.00 H new ATOM 1202 N HIS A 80 4.035 -0.224 -7.650 1.00 0.00 N ATOM 1203 CA HIS A 80 5.016 -0.978 -6.819 1.00 0.00 C ATOM 1204 C HIS A 80 4.497 -1.076 -5.384 1.00 0.00 C ATOM 1205 O HIS A 80 5.237 -0.913 -4.434 1.00 0.00 O ATOM 1206 CB HIS A 80 6.359 -0.245 -6.827 1.00 0.00 C ATOM 1207 CG HIS A 80 6.788 0.000 -8.248 1.00 0.00 C ATOM 1208 ND1 HIS A 80 6.536 1.198 -8.899 1.00 0.00 N ATOM 1209 CD2 HIS A 80 7.451 -0.788 -9.155 1.00 0.00 C ATOM 1210 CE1 HIS A 80 7.040 1.097 -10.142 1.00 0.00 C ATOM 1211 NE2 HIS A 80 7.609 -0.093 -10.351 1.00 0.00 N ATOM 0 H HIS A 80 3.719 -0.705 -8.492 1.00 0.00 H new ATOM 0 HA HIS A 80 5.146 -1.980 -7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.272 0.702 -6.294 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.111 -0.837 -6.306 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.797 -1.794 -8.969 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.991 1.883 -10.881 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.062 -0.422 -11.204 1.00 0.00 H new ATOM 1219 N THR A 81 3.230 -1.342 -5.217 1.00 0.00 N ATOM 1220 CA THR A 81 2.666 -1.450 -3.843 1.00 0.00 C ATOM 1221 C THR A 81 2.121 -2.864 -3.626 1.00 0.00 C ATOM 1222 O THR A 81 1.559 -3.466 -4.518 1.00 0.00 O ATOM 1223 CB THR A 81 1.533 -0.435 -3.675 1.00 0.00 C ATOM 1224 OG1 THR A 81 2.009 0.862 -4.007 1.00 0.00 O ATOM 1225 CG2 THR A 81 1.046 -0.445 -2.226 1.00 0.00 C ATOM 0 H THR A 81 2.562 -1.489 -5.973 1.00 0.00 H new ATOM 0 HA THR A 81 3.448 -1.245 -3.112 1.00 0.00 H new ATOM 0 HB THR A 81 0.707 -0.700 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.284 1.513 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.239 0.278 -2.108 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.681 -1.440 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.870 -0.180 -1.563 1.00 0.00 H new ATOM 1233 N TYR A 82 2.282 -3.397 -2.446 1.00 0.00 N ATOM 1234 CA TYR A 82 1.773 -4.770 -2.173 1.00 0.00 C ATOM 1235 C TYR A 82 1.046 -4.787 -0.828 1.00 0.00 C ATOM 1236 O TYR A 82 1.600 -4.428 0.193 1.00 0.00 O ATOM 1237 CB TYR A 82 2.945 -5.752 -2.130 1.00 0.00 C ATOM 1238 CG TYR A 82 2.417 -7.160 -1.997 1.00 0.00 C ATOM 1239 CD1 TYR A 82 2.045 -7.880 -3.140 1.00 0.00 C ATOM 1240 CD2 TYR A 82 2.302 -7.749 -0.731 1.00 0.00 C ATOM 1241 CE1 TYR A 82 1.556 -9.185 -3.017 1.00 0.00 C ATOM 1242 CE2 TYR A 82 1.812 -9.056 -0.610 1.00 0.00 C ATOM 1243 CZ TYR A 82 1.440 -9.773 -1.752 1.00 0.00 C ATOM 1244 OH TYR A 82 0.959 -11.062 -1.632 1.00 0.00 O ATOM 0 H TYR A 82 2.744 -2.941 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 82 1.083 -5.063 -2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.543 -5.661 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.600 -5.517 -1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.136 -7.427 -4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.591 -7.196 0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.268 -9.739 -3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.721 -9.510 0.366 1.00 0.00 H new ATOM 0 HH TYR A 82 1.077 -11.370 -0.709 1.00 0.00 H new ATOM 1254 N SER A 83 -0.191 -5.202 -0.816 1.00 0.00 N ATOM 1255 CA SER A 83 -0.952 -5.241 0.465 1.00 0.00 C ATOM 1256 C SER A 83 -1.342 -6.686 0.781 1.00 0.00 C ATOM 1257 O SER A 83 -1.750 -7.432 -0.086 1.00 0.00 O ATOM 1258 CB SER A 83 -2.214 -4.388 0.332 1.00 0.00 C ATOM 1259 OG SER A 83 -1.855 -3.061 -0.023 1.00 0.00 O ATOM 0 H SER A 83 -0.708 -5.516 -1.638 1.00 0.00 H new ATOM 0 HA SER A 83 -0.332 -4.848 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.874 -4.812 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.766 -4.387 1.272 1.00 0.00 H new ATOM 0 HG SER A 83 -2.664 -2.515 -0.110 1.00 0.00 H new ATOM 1265 N TYR A 84 -1.224 -7.086 2.017 1.00 0.00 N ATOM 1266 CA TYR A 84 -1.591 -8.483 2.385 1.00 0.00 C ATOM 1267 C TYR A 84 -2.065 -8.521 3.840 1.00 0.00 C ATOM 1268 O TYR A 84 -1.983 -7.543 4.556 1.00 0.00 O ATOM 1269 CB TYR A 84 -0.371 -9.392 2.219 1.00 0.00 C ATOM 1270 CG TYR A 84 0.628 -9.109 3.316 1.00 0.00 C ATOM 1271 CD1 TYR A 84 1.508 -8.026 3.201 1.00 0.00 C ATOM 1272 CD2 TYR A 84 0.676 -9.931 4.449 1.00 0.00 C ATOM 1273 CE1 TYR A 84 2.434 -7.764 4.218 1.00 0.00 C ATOM 1274 CE2 TYR A 84 1.601 -9.669 5.466 1.00 0.00 C ATOM 1275 CZ TYR A 84 2.481 -8.586 5.350 1.00 0.00 C ATOM 1276 OH TYR A 84 3.394 -8.330 6.352 1.00 0.00 O ATOM 0 H TYR A 84 -0.890 -6.507 2.787 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.393 -8.831 1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.677 -10.438 2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.088 -9.226 1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.472 -7.392 2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.001 -10.768 4.538 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.112 -6.928 4.129 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.636 -10.302 6.340 1.00 0.00 H new ATOM 0 HH TYR A 84 2.931 -7.948 7.127 1.00 0.00 H new ATOM 1286 N SER A 85 -2.559 -9.645 4.283 1.00 0.00 N ATOM 1287 CA SER A 85 -3.037 -9.744 5.690 1.00 0.00 C ATOM 1288 C SER A 85 -2.842 -11.177 6.193 1.00 0.00 C ATOM 1289 O SER A 85 -2.794 -12.114 5.421 1.00 0.00 O ATOM 1290 CB SER A 85 -4.522 -9.379 5.751 1.00 0.00 C ATOM 1291 OG SER A 85 -5.284 -10.384 5.098 1.00 0.00 O ATOM 0 H SER A 85 -2.652 -10.498 3.731 1.00 0.00 H new ATOM 0 HA SER A 85 -2.469 -9.057 6.317 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.841 -9.282 6.789 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.690 -8.413 5.274 1.00 0.00 H new ATOM 0 HG SER A 85 -5.918 -9.964 4.480 1.00 0.00 H new ATOM 1297 N LEU A 86 -2.731 -11.355 7.481 1.00 0.00 N ATOM 1298 CA LEU A 86 -2.540 -12.727 8.031 1.00 0.00 C ATOM 1299 C LEU A 86 -3.888 -13.285 8.486 1.00 0.00 C ATOM 1300 O LEU A 86 -4.534 -12.740 9.360 1.00 0.00 O ATOM 1301 CB LEU A 86 -1.582 -12.672 9.222 1.00 0.00 C ATOM 1302 CG LEU A 86 -0.984 -14.059 9.460 1.00 0.00 C ATOM 1303 CD1 LEU A 86 -0.014 -14.000 10.643 1.00 0.00 C ATOM 1304 CD2 LEU A 86 -2.105 -15.053 9.770 1.00 0.00 C ATOM 0 H LEU A 86 -2.764 -10.610 8.176 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.121 -13.372 7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.788 -11.950 9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.112 -12.335 10.113 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.450 -14.382 8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.413 -14.988 10.813 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.786 -13.293 10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.549 -13.677 11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.678 -16.042 9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.640 -14.731 10.663 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.796 -15.096 8.928 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.320 -14.367 7.901 1.00 0.00 N ATOM 1317 CA ILE A 87 -5.627 -14.959 8.298 1.00 0.00 C ATOM 1318 C ILE A 87 -5.479 -15.678 9.642 1.00 0.00 C ATOM 1319 O ILE A 87 -6.172 -15.382 10.595 1.00 0.00 O ATOM 1320 CB ILE A 87 -6.077 -15.960 7.232 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -6.438 -15.209 5.948 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.300 -16.728 7.737 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -6.699 -16.214 4.825 1.00 0.00 C ATOM 0 H ILE A 87 -3.823 -14.867 7.164 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.370 -14.167 8.392 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.268 -16.661 7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.322 -14.592 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.627 -14.536 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.621 -17.441 6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.042 -17.263 8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.110 -16.028 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.956 -15.679 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.803 -16.812 4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.524 -16.868 5.107 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.580 -16.619 9.727 1.00 0.00 N ATOM 1336 CA GLU A 88 -4.392 -17.353 11.011 1.00 0.00 C ATOM 1337 C GLU A 88 -2.930 -17.784 11.144 1.00 0.00 C ATOM 1338 O GLU A 88 -2.201 -17.849 10.176 1.00 0.00 O ATOM 1339 CB GLU A 88 -5.293 -18.591 11.026 1.00 0.00 C ATOM 1340 CG GLU A 88 -6.755 -18.159 10.899 1.00 0.00 C ATOM 1341 CD GLU A 88 -7.662 -19.386 11.017 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -7.139 -20.488 11.012 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -8.865 -19.202 11.110 1.00 0.00 O ATOM 0 H GLU A 88 -3.968 -16.911 8.965 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.655 -16.701 11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.027 -19.258 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.147 -19.149 11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.000 -17.436 11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.917 -17.664 9.941 1.00 0.00 H new ATOM 1350 N GLY A 89 -2.498 -18.080 12.340 1.00 0.00 N ATOM 1351 CA GLY A 89 -1.084 -18.508 12.536 1.00 0.00 C ATOM 1352 C GLY A 89 -0.928 -19.134 13.924 1.00 0.00 C ATOM 1353 O GLY A 89 -1.656 -18.816 14.843 1.00 0.00 O ATOM 0 H GLY A 89 -3.063 -18.044 13.189 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.801 -19.227 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.416 -17.652 12.434 1.00 0.00 H new ATOM 1357 N ASP A 90 0.016 -20.020 14.082 1.00 0.00 N ATOM 1358 CA ASP A 90 0.218 -20.666 15.410 1.00 0.00 C ATOM 1359 C ASP A 90 0.493 -19.588 16.461 1.00 0.00 C ATOM 1360 O ASP A 90 0.266 -19.784 17.638 1.00 0.00 O ATOM 1361 CB ASP A 90 1.410 -21.623 15.336 1.00 0.00 C ATOM 1362 CG ASP A 90 1.167 -22.812 16.266 1.00 0.00 C ATOM 1363 OD1 ASP A 90 0.100 -22.871 16.855 1.00 0.00 O ATOM 1364 OD2 ASP A 90 2.052 -23.646 16.374 1.00 0.00 O ATOM 0 H ASP A 90 0.657 -20.325 13.349 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.677 -21.224 15.685 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.548 -21.971 14.312 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.325 -21.104 15.623 1.00 0.00 H new ATOM 1369 N ALA A 91 0.982 -18.451 16.045 1.00 0.00 N ATOM 1370 CA ALA A 91 1.271 -17.362 17.021 1.00 0.00 C ATOM 1371 C ALA A 91 0.000 -16.547 17.265 1.00 0.00 C ATOM 1372 O ALA A 91 -0.182 -15.962 18.314 1.00 0.00 O ATOM 1373 CB ALA A 91 2.361 -16.448 16.458 1.00 0.00 C ATOM 0 H ALA A 91 1.194 -18.230 15.072 1.00 0.00 H new ATOM 0 HA ALA A 91 1.611 -17.797 17.961 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.572 -15.652 17.172 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.267 -17.028 16.282 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.021 -16.012 15.518 1.00 0.00 H new ATOM 1379 N LEU A 92 -0.881 -16.504 16.304 1.00 0.00 N ATOM 1380 CA LEU A 92 -2.142 -15.728 16.483 1.00 0.00 C ATOM 1381 C LEU A 92 -3.087 -16.524 17.372 1.00 0.00 C ATOM 1382 O LEU A 92 -3.866 -15.976 18.127 1.00 0.00 O ATOM 1383 CB LEU A 92 -2.812 -15.500 15.126 1.00 0.00 C ATOM 1384 CG LEU A 92 -1.747 -15.331 14.038 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -2.411 -14.824 12.756 1.00 0.00 C ATOM 1386 CD2 LEU A 92 -0.696 -14.322 14.500 1.00 0.00 C ATOM 0 H LEU A 92 -0.783 -16.972 15.403 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.912 -14.765 16.938 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.460 -16.343 14.885 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.445 -14.613 15.168 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.266 -16.291 13.848 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.656 -14.702 11.979 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.160 -15.544 12.425 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.890 -13.864 12.950 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.060 -14.204 13.724 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.173 -13.361 14.691 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.224 -14.681 15.415 1.00 0.00 H new ATOM 1398 N SER A 93 -3.028 -17.819 17.275 1.00 0.00 N ATOM 1399 CA SER A 93 -3.925 -18.672 18.100 1.00 0.00 C ATOM 1400 C SER A 93 -5.353 -18.136 17.996 1.00 0.00 C ATOM 1401 O SER A 93 -5.629 -17.227 17.238 1.00 0.00 O ATOM 1402 CB SER A 93 -3.470 -18.639 19.560 1.00 0.00 C ATOM 1403 OG SER A 93 -4.420 -19.319 20.368 1.00 0.00 O ATOM 0 H SER A 93 -2.395 -18.327 16.657 1.00 0.00 H new ATOM 0 HA SER A 93 -3.888 -19.700 17.739 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.491 -19.109 19.658 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.363 -17.607 19.896 1.00 0.00 H new ATOM 0 HG SER A 93 -4.128 -19.299 21.303 1.00 0.00 H new ATOM 1409 N GLU A 94 -6.263 -18.685 18.747 1.00 0.00 N ATOM 1410 CA GLU A 94 -7.668 -18.199 18.681 1.00 0.00 C ATOM 1411 C GLU A 94 -7.785 -16.872 19.437 1.00 0.00 C ATOM 1412 O GLU A 94 -8.814 -16.228 19.418 1.00 0.00 O ATOM 1413 CB GLU A 94 -8.595 -19.235 19.318 1.00 0.00 C ATOM 1414 CG GLU A 94 -8.476 -20.558 18.558 1.00 0.00 C ATOM 1415 CD GLU A 94 -9.381 -21.605 19.211 1.00 0.00 C ATOM 1416 OE1 GLU A 94 -9.891 -21.332 20.285 1.00 0.00 O ATOM 1417 OE2 GLU A 94 -9.548 -22.663 18.625 1.00 0.00 O ATOM 0 H GLU A 94 -6.096 -19.448 19.403 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.953 -18.049 17.640 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.332 -19.380 20.366 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.626 -18.881 19.294 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.759 -20.417 17.515 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.442 -20.901 18.564 1.00 0.00 H new ATOM 1424 N ASN A 95 -6.738 -16.460 20.100 1.00 0.00 N ATOM 1425 CA ASN A 95 -6.789 -15.177 20.859 1.00 0.00 C ATOM 1426 C ASN A 95 -6.514 -14.004 19.915 1.00 0.00 C ATOM 1427 O ASN A 95 -7.117 -12.955 20.022 1.00 0.00 O ATOM 1428 CB ASN A 95 -5.730 -15.200 21.963 1.00 0.00 C ATOM 1429 CG ASN A 95 -6.077 -16.294 22.975 1.00 0.00 C ATOM 1430 OD1 ASN A 95 -7.215 -16.707 23.073 1.00 0.00 O ATOM 1431 ND2 ASN A 95 -5.138 -16.784 23.737 1.00 0.00 N ATOM 0 H ASN A 95 -5.849 -16.957 20.149 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.779 -15.058 21.300 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.745 -15.385 21.534 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.685 -14.231 22.459 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.360 -17.514 24.415 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.182 -16.438 23.655 1.00 0.00 H new ATOM 1438 N ILE A 96 -5.604 -14.169 18.995 1.00 0.00 N ATOM 1439 CA ILE A 96 -5.291 -13.057 18.052 1.00 0.00 C ATOM 1440 C ILE A 96 -6.158 -13.181 16.798 1.00 0.00 C ATOM 1441 O ILE A 96 -6.313 -14.248 16.239 1.00 0.00 O ATOM 1442 CB ILE A 96 -3.813 -13.122 17.662 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -2.950 -13.129 18.925 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -3.458 -11.902 16.810 1.00 0.00 C ATOM 1445 CD1 ILE A 96 -1.472 -13.106 18.532 1.00 0.00 C ATOM 0 H ILE A 96 -5.064 -15.023 18.855 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.499 -12.103 18.537 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.628 -14.032 17.092 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.186 -12.264 19.545 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.165 -14.016 19.521 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.405 -11.947 16.531 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.072 -11.896 15.909 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.644 -10.993 17.382 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.856 -13.111 19.431 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.242 -13.985 17.930 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.263 -12.206 17.954 1.00 0.00 H new ATOM 1457 N GLU A 97 -6.722 -12.092 16.349 1.00 0.00 N ATOM 1458 CA GLU A 97 -7.577 -12.135 15.129 1.00 0.00 C ATOM 1459 C GLU A 97 -6.711 -11.885 13.893 1.00 0.00 C ATOM 1460 O GLU A 97 -5.512 -11.710 13.990 1.00 0.00 O ATOM 1461 CB GLU A 97 -8.659 -11.056 15.221 1.00 0.00 C ATOM 1462 CG GLU A 97 -9.872 -11.613 15.968 1.00 0.00 C ATOM 1463 CD GLU A 97 -11.022 -10.605 15.895 1.00 0.00 C ATOM 1464 OE1 GLU A 97 -10.977 -9.745 15.030 1.00 0.00 O ATOM 1465 OE2 GLU A 97 -11.928 -10.710 16.706 1.00 0.00 O ATOM 0 H GLU A 97 -6.627 -11.171 16.777 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.050 -13.114 15.052 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.270 -10.179 15.739 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.951 -10.732 14.222 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.178 -12.563 15.530 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.613 -11.811 17.008 1.00 0.00 H new ATOM 1472 N LYS A 98 -7.303 -11.873 12.730 1.00 0.00 N ATOM 1473 CA LYS A 98 -6.507 -11.641 11.492 1.00 0.00 C ATOM 1474 C LYS A 98 -5.763 -10.306 11.603 1.00 0.00 C ATOM 1475 O LYS A 98 -6.130 -9.439 12.372 1.00 0.00 O ATOM 1476 CB LYS A 98 -7.442 -11.602 10.282 1.00 0.00 C ATOM 1477 CG LYS A 98 -8.080 -12.979 10.085 1.00 0.00 C ATOM 1478 CD LYS A 98 -8.949 -12.964 8.826 1.00 0.00 C ATOM 1479 CE LYS A 98 -9.710 -14.286 8.715 1.00 0.00 C ATOM 1480 NZ LYS A 98 -10.978 -14.067 7.963 1.00 0.00 N ATOM 0 H LYS A 98 -8.303 -12.014 12.584 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.787 -12.450 11.369 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.216 -10.849 10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.887 -11.316 9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.306 -13.741 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.685 -13.239 10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.650 -12.131 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.327 -12.815 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.097 -15.030 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.927 -14.678 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.496 -14.966 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.564 -13.371 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.760 -13.712 7.010 1.00 0.00 H new ATOM 1494 N ILE A 99 -4.716 -10.141 10.843 1.00 0.00 N ATOM 1495 CA ILE A 99 -3.940 -8.870 10.900 1.00 0.00 C ATOM 1496 C ILE A 99 -3.837 -8.268 9.496 1.00 0.00 C ATOM 1497 O ILE A 99 -3.495 -8.944 8.546 1.00 0.00 O ATOM 1498 CB ILE A 99 -2.533 -9.159 11.429 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -2.631 -9.874 12.777 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -1.770 -7.844 11.599 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -1.228 -10.238 13.265 1.00 0.00 C ATOM 0 H ILE A 99 -4.363 -10.834 10.183 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.445 -8.166 11.562 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.002 -9.795 10.720 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.126 -9.232 13.506 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.239 -10.774 12.680 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.768 -8.051 11.976 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.698 -7.338 10.636 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.299 -7.205 12.306 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.298 -10.748 14.226 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.750 -10.896 12.539 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.635 -9.330 13.378 1.00 0.00 H new ATOM 1513 N ASP A 100 -4.126 -7.003 9.357 1.00 0.00 N ATOM 1514 CA ASP A 100 -4.037 -6.364 8.013 1.00 0.00 C ATOM 1515 C ASP A 100 -2.617 -5.835 7.801 1.00 0.00 C ATOM 1516 O ASP A 100 -2.110 -5.059 8.585 1.00 0.00 O ATOM 1517 CB ASP A 100 -5.032 -5.203 7.930 1.00 0.00 C ATOM 1518 CG ASP A 100 -6.460 -5.750 8.003 1.00 0.00 C ATOM 1519 OD1 ASP A 100 -6.622 -6.951 7.855 1.00 0.00 O ATOM 1520 OD2 ASP A 100 -7.366 -4.959 8.206 1.00 0.00 O ATOM 0 H ASP A 100 -4.419 -6.385 10.114 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.275 -7.098 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.858 -4.501 8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.889 -4.653 7.000 1.00 0.00 H new ATOM 1525 N TYR A 101 -1.969 -6.252 6.748 1.00 0.00 N ATOM 1526 CA TYR A 101 -0.581 -5.775 6.494 1.00 0.00 C ATOM 1527 C TYR A 101 -0.547 -4.952 5.204 1.00 0.00 C ATOM 1528 O TYR A 101 -1.218 -5.261 4.240 1.00 0.00 O ATOM 1529 CB TYR A 101 0.353 -6.978 6.356 1.00 0.00 C ATOM 1530 CG TYR A 101 0.554 -7.616 7.711 1.00 0.00 C ATOM 1531 CD1 TYR A 101 1.481 -7.073 8.609 1.00 0.00 C ATOM 1532 CD2 TYR A 101 -0.187 -8.748 8.070 1.00 0.00 C ATOM 1533 CE1 TYR A 101 1.667 -7.662 9.865 1.00 0.00 C ATOM 1534 CE2 TYR A 101 -0.001 -9.338 9.325 1.00 0.00 C ATOM 1535 CZ TYR A 101 0.926 -8.795 10.223 1.00 0.00 C ATOM 1536 OH TYR A 101 1.110 -9.377 11.461 1.00 0.00 O ATOM 0 H TYR A 101 -2.340 -6.901 6.054 1.00 0.00 H new ATOM 0 HA TYR A 101 -0.254 -5.153 7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.070 -7.702 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.312 -6.663 5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.053 -6.199 8.332 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.903 -9.166 7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.382 -7.243 10.558 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.572 -10.212 9.601 1.00 0.00 H new ATOM 0 HH TYR A 101 1.375 -8.691 12.109 1.00 0.00 H new ATOM 1546 N GLU A 102 0.232 -3.905 5.182 1.00 0.00 N ATOM 1547 CA GLU A 102 0.314 -3.060 3.958 1.00 0.00 C ATOM 1548 C GLU A 102 1.783 -2.803 3.617 1.00 0.00 C ATOM 1549 O GLU A 102 2.583 -2.490 4.476 1.00 0.00 O ATOM 1550 CB GLU A 102 -0.391 -1.726 4.211 1.00 0.00 C ATOM 1551 CG GLU A 102 -1.882 -1.976 4.451 1.00 0.00 C ATOM 1552 CD GLU A 102 -2.620 -0.636 4.508 1.00 0.00 C ATOM 1553 OE1 GLU A 102 -1.954 0.385 4.487 1.00 0.00 O ATOM 1554 OE2 GLU A 102 -3.838 -0.656 4.571 1.00 0.00 O ATOM 0 H GLU A 102 0.816 -3.598 5.960 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.169 -3.574 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.049 -1.228 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.255 -1.063 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.291 -2.595 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.025 -2.522 5.383 1.00 0.00 H new ATOM 1561 N THR A 103 2.146 -2.935 2.371 1.00 0.00 N ATOM 1562 CA THR A 103 3.565 -2.700 1.981 1.00 0.00 C ATOM 1563 C THR A 103 3.620 -1.719 0.808 1.00 0.00 C ATOM 1564 O THR A 103 2.835 -1.795 -0.116 1.00 0.00 O ATOM 1565 CB THR A 103 4.207 -4.027 1.567 1.00 0.00 C ATOM 1566 OG1 THR A 103 4.057 -4.969 2.619 1.00 0.00 O ATOM 1567 CG2 THR A 103 5.694 -3.809 1.281 1.00 0.00 C ATOM 0 H THR A 103 1.522 -3.195 1.607 1.00 0.00 H new ATOM 0 HA THR A 103 4.108 -2.281 2.828 1.00 0.00 H new ATOM 0 HB THR A 103 3.719 -4.404 0.668 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.465 -5.820 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.150 -4.754 0.986 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.807 -3.085 0.474 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.186 -3.433 2.178 1.00 0.00 H new ATOM 1575 N LYS A 104 4.546 -0.800 0.836 1.00 0.00 N ATOM 1576 CA LYS A 104 4.657 0.183 -0.278 1.00 0.00 C ATOM 1577 C LYS A 104 6.135 0.436 -0.583 1.00 0.00 C ATOM 1578 O LYS A 104 6.915 0.750 0.295 1.00 0.00 O ATOM 1579 CB LYS A 104 3.988 1.497 0.130 1.00 0.00 C ATOM 1580 CG LYS A 104 3.981 2.456 -1.063 1.00 0.00 C ATOM 1581 CD LYS A 104 3.325 3.775 -0.653 1.00 0.00 C ATOM 1582 CE LYS A 104 3.188 4.678 -1.881 1.00 0.00 C ATOM 1583 NZ LYS A 104 3.838 5.990 -1.608 1.00 0.00 N ATOM 0 H LYS A 104 5.231 -0.688 1.583 1.00 0.00 H new ATOM 0 HA LYS A 104 4.163 -0.214 -1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.968 1.310 0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.522 1.945 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.000 2.635 -1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.438 2.012 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.345 3.586 -0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.924 4.270 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.650 4.204 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.135 4.825 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.745 6.604 -2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.378 6.442 -0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.846 5.841 -1.398 1.00 0.00 H new ATOM 1597 N LEU A 105 6.525 0.300 -1.821 1.00 0.00 N ATOM 1598 CA LEU A 105 7.952 0.529 -2.182 1.00 0.00 C ATOM 1599 C LEU A 105 8.129 1.955 -2.703 1.00 0.00 C ATOM 1600 O LEU A 105 7.424 2.395 -3.589 1.00 0.00 O ATOM 1601 CB LEU A 105 8.367 -0.457 -3.273 1.00 0.00 C ATOM 1602 CG LEU A 105 8.166 -1.888 -2.775 1.00 0.00 C ATOM 1603 CD1 LEU A 105 8.792 -2.858 -3.775 1.00 0.00 C ATOM 1604 CD2 LEU A 105 8.839 -2.055 -1.411 1.00 0.00 C ATOM 0 H LEU A 105 5.917 0.040 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 105 8.573 0.383 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.776 -0.288 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.411 -0.298 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 105 7.101 -2.097 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.652 -3.881 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.313 -2.738 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.858 -2.648 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.695 -3.076 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.906 -1.850 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.396 -1.358 -0.699 1.00 0.00 H new ATOM 1616 N VAL A 106 9.070 2.679 -2.163 1.00 0.00 N ATOM 1617 CA VAL A 106 9.294 4.073 -2.634 1.00 0.00 C ATOM 1618 C VAL A 106 10.786 4.293 -2.892 1.00 0.00 C ATOM 1619 O VAL A 106 11.629 3.820 -2.155 1.00 0.00 O ATOM 1620 CB VAL A 106 8.808 5.057 -1.567 1.00 0.00 C ATOM 1621 CG1 VAL A 106 8.963 6.489 -2.084 1.00 0.00 C ATOM 1622 CG2 VAL A 106 7.336 4.785 -1.254 1.00 0.00 C ATOM 0 H VAL A 106 9.692 2.366 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 106 8.739 4.237 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 106 9.401 4.932 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.617 7.190 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.012 6.684 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.371 6.615 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.990 5.486 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.742 4.910 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.225 3.765 -0.885 1.00 0.00 H new ATOM 1632 N SER A 107 11.119 5.006 -3.932 1.00 0.00 N ATOM 1633 CA SER A 107 12.557 5.253 -4.235 1.00 0.00 C ATOM 1634 C SER A 107 12.865 6.743 -4.065 1.00 0.00 C ATOM 1635 O SER A 107 12.048 7.592 -4.359 1.00 0.00 O ATOM 1636 CB SER A 107 12.853 4.831 -5.676 1.00 0.00 C ATOM 1637 OG SER A 107 12.125 5.658 -6.570 1.00 0.00 O ATOM 0 H SER A 107 10.459 5.428 -4.585 1.00 0.00 H new ATOM 0 HA SER A 107 13.178 4.674 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.921 4.911 -5.878 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.578 3.787 -5.824 1.00 0.00 H new ATOM 0 HG SER A 107 12.316 5.389 -7.493 1.00 0.00 H new ATOM 1643 N ALA A 108 14.037 7.065 -3.591 1.00 0.00 N ATOM 1644 CA ALA A 108 14.395 8.498 -3.401 1.00 0.00 C ATOM 1645 C ALA A 108 15.471 8.895 -4.414 1.00 0.00 C ATOM 1646 O ALA A 108 16.083 8.057 -5.044 1.00 0.00 O ATOM 1647 CB ALA A 108 14.928 8.705 -1.982 1.00 0.00 C ATOM 0 H ALA A 108 14.762 6.398 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 108 13.510 9.117 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.191 9.754 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.161 8.423 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.813 8.086 -1.832 1.00 0.00 H new ATOM 1653 N PRO A 109 15.700 10.207 -4.570 1.00 0.00 N ATOM 1654 CA PRO A 109 16.702 10.731 -5.506 1.00 0.00 C ATOM 1655 C PRO A 109 18.128 10.439 -5.031 1.00 0.00 C ATOM 1656 O PRO A 109 19.084 10.606 -5.763 1.00 0.00 O ATOM 1657 CB PRO A 109 16.448 12.237 -5.496 1.00 0.00 C ATOM 1658 CG PRO A 109 15.811 12.503 -4.174 1.00 0.00 C ATOM 1659 CD PRO A 109 15.000 11.282 -3.845 1.00 0.00 C ATOM 0 HA PRO A 109 16.617 10.277 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 109 17.377 12.796 -5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.796 12.534 -6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 109 16.565 12.687 -3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 109 15.179 13.390 -4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.974 11.093 -2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 109 13.966 11.384 -4.176 1.00 0.00 H new ATOM 1667 N HIS A 110 18.279 10.002 -3.811 1.00 0.00 N ATOM 1668 CA HIS A 110 19.641 9.699 -3.289 1.00 0.00 C ATOM 1669 C HIS A 110 20.124 8.366 -3.866 1.00 0.00 C ATOM 1670 O HIS A 110 21.297 8.054 -3.834 1.00 0.00 O ATOM 1671 CB HIS A 110 19.593 9.604 -1.763 1.00 0.00 C ATOM 1672 CG HIS A 110 20.977 9.349 -1.231 1.00 0.00 C ATOM 1673 ND1 HIS A 110 21.961 10.323 -1.236 1.00 0.00 N ATOM 1674 CD2 HIS A 110 21.554 8.235 -0.674 1.00 0.00 C ATOM 1675 CE1 HIS A 110 23.069 9.783 -0.697 1.00 0.00 C ATOM 1676 NE2 HIS A 110 22.876 8.512 -0.338 1.00 0.00 N ATOM 0 H HIS A 110 17.517 9.842 -3.152 1.00 0.00 H new ATOM 0 HA HIS A 110 20.327 10.493 -3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.195 10.528 -1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 110 18.922 8.801 -1.459 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.058 7.288 -0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 110 24.001 10.313 -0.570 1.00 0.00 H new ATOM 0 HE2 HIS A 110 23.552 7.880 0.090 1.00 0.00 H new ATOM 1684 N GLY A 111 19.227 7.579 -4.392 1.00 0.00 N ATOM 1685 CA GLY A 111 19.634 6.268 -4.968 1.00 0.00 C ATOM 1686 C GLY A 111 19.105 5.139 -4.081 1.00 0.00 C ATOM 1687 O GLY A 111 18.913 4.024 -4.526 1.00 0.00 O ATOM 0 H GLY A 111 18.230 7.787 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 111 19.242 6.165 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 111 20.720 6.211 -5.040 1.00 0.00 H new ATOM 1691 N GLY A 112 18.867 5.418 -2.829 1.00 0.00 N ATOM 1692 CA GLY A 112 18.350 4.362 -1.915 1.00 0.00 C ATOM 1693 C GLY A 112 16.845 4.196 -2.132 1.00 0.00 C ATOM 1694 O GLY A 112 16.221 4.970 -2.832 1.00 0.00 O ATOM 0 H GLY A 112 19.008 6.332 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 112 18.862 3.419 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.552 4.632 -0.878 1.00 0.00 H new ATOM 1698 N THR A 113 16.255 3.192 -1.542 1.00 0.00 N ATOM 1699 CA THR A 113 14.791 2.983 -1.723 1.00 0.00 C ATOM 1700 C THR A 113 14.101 2.957 -0.358 1.00 0.00 C ATOM 1701 O THR A 113 14.417 2.151 0.494 1.00 0.00 O ATOM 1702 CB THR A 113 14.553 1.651 -2.439 1.00 0.00 C ATOM 1703 OG1 THR A 113 15.150 1.695 -3.727 1.00 0.00 O ATOM 1704 CG2 THR A 113 13.049 1.406 -2.579 1.00 0.00 C ATOM 0 H THR A 113 16.722 2.510 -0.945 1.00 0.00 H new ATOM 0 HA THR A 113 14.381 3.798 -2.319 1.00 0.00 H new ATOM 0 HB THR A 113 14.998 0.842 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 113 15.910 1.077 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 113 12.881 0.457 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 113 12.592 1.372 -1.590 1.00 0.00 H new ATOM 0 HG23 THR A 113 12.601 2.214 -3.158 1.00 0.00 H new ATOM 1712 N ILE A 114 13.153 3.830 -0.147 1.00 0.00 N ATOM 1713 CA ILE A 114 12.436 3.851 1.160 1.00 0.00 C ATOM 1714 C ILE A 114 11.254 2.882 1.097 1.00 0.00 C ATOM 1715 O ILE A 114 10.618 2.733 0.073 1.00 0.00 O ATOM 1716 CB ILE A 114 11.926 5.266 1.442 1.00 0.00 C ATOM 1717 CG1 ILE A 114 13.088 6.257 1.356 1.00 0.00 C ATOM 1718 CG2 ILE A 114 11.315 5.317 2.844 1.00 0.00 C ATOM 1719 CD1 ILE A 114 12.545 7.687 1.412 1.00 0.00 C ATOM 0 H ILE A 114 12.844 4.529 -0.823 1.00 0.00 H new ATOM 0 HA ILE A 114 13.115 3.550 1.957 1.00 0.00 H new ATOM 0 HB ILE A 114 11.169 5.532 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.785 6.089 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.643 6.103 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.951 6.325 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.485 4.613 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.072 5.050 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.373 8.393 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.865 7.851 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.009 7.836 2.349 1.00 0.00 H new ATOM 1731 N ILE A 115 10.953 2.219 2.181 1.00 0.00 N ATOM 1732 CA ILE A 115 9.812 1.261 2.170 1.00 0.00 C ATOM 1733 C ILE A 115 8.907 1.517 3.375 1.00 0.00 C ATOM 1734 O ILE A 115 9.316 1.384 4.512 1.00 0.00 O ATOM 1735 CB ILE A 115 10.348 -0.172 2.235 1.00 0.00 C ATOM 1736 CG1 ILE A 115 11.363 -0.392 1.112 1.00 0.00 C ATOM 1737 CG2 ILE A 115 9.187 -1.156 2.072 1.00 0.00 C ATOM 1738 CD1 ILE A 115 12.117 -1.701 1.358 1.00 0.00 C ATOM 0 H ILE A 115 11.446 2.299 3.070 1.00 0.00 H new ATOM 0 HA ILE A 115 9.239 1.398 1.253 1.00 0.00 H new ATOM 0 HB ILE A 115 10.833 -0.334 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 115 10.854 -0.428 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 115 12.064 0.442 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 115 9.566 -2.177 2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 115 8.464 -1.001 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.703 -0.992 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 115 12.841 -1.860 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 115 12.638 -1.647 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 115 11.410 -2.530 1.377 1.00 0.00 H new ATOM 1750 N LYS A 116 7.675 1.876 3.137 1.00 0.00 N ATOM 1751 CA LYS A 116 6.740 2.130 4.269 1.00 0.00 C ATOM 1752 C LYS A 116 5.888 0.881 4.499 1.00 0.00 C ATOM 1753 O LYS A 116 5.346 0.312 3.573 1.00 0.00 O ATOM 1754 CB LYS A 116 5.833 3.315 3.928 1.00 0.00 C ATOM 1755 CG LYS A 116 6.681 4.578 3.769 1.00 0.00 C ATOM 1756 CD LYS A 116 5.766 5.785 3.554 1.00 0.00 C ATOM 1757 CE LYS A 116 6.613 7.054 3.438 1.00 0.00 C ATOM 1758 NZ LYS A 116 7.536 6.932 2.274 1.00 0.00 N ATOM 0 H LYS A 116 7.276 2.004 2.207 1.00 0.00 H new ATOM 0 HA LYS A 116 7.306 2.361 5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.285 3.114 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 116 5.093 3.458 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.297 4.729 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.360 4.468 2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.172 5.648 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.066 5.877 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 116 5.968 7.924 3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.184 7.208 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.857 7.878 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.358 6.354 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.038 6.479 1.482 1.00 0.00 H new ATOM 1772 N THR A 117 5.771 0.442 5.722 1.00 0.00 N ATOM 1773 CA THR A 117 4.960 -0.778 5.995 1.00 0.00 C ATOM 1774 C THR A 117 3.953 -0.498 7.113 1.00 0.00 C ATOM 1775 O THR A 117 4.317 -0.144 8.217 1.00 0.00 O ATOM 1776 CB THR A 117 5.887 -1.919 6.420 1.00 0.00 C ATOM 1777 OG1 THR A 117 6.838 -2.162 5.393 1.00 0.00 O ATOM 1778 CG2 THR A 117 5.063 -3.183 6.667 1.00 0.00 C ATOM 0 H THR A 117 6.200 0.873 6.541 1.00 0.00 H new ATOM 0 HA THR A 117 4.421 -1.059 5.090 1.00 0.00 H new ATOM 0 HB THR A 117 6.407 -1.643 7.338 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.434 -2.891 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.724 -3.995 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.335 -2.994 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.541 -3.462 5.751 1.00 0.00 H new ATOM 1786 N THR A 118 2.689 -0.667 6.836 1.00 0.00 N ATOM 1787 CA THR A 118 1.653 -0.426 7.880 1.00 0.00 C ATOM 1788 C THR A 118 0.962 -1.753 8.207 1.00 0.00 C ATOM 1789 O THR A 118 0.715 -2.561 7.335 1.00 0.00 O ATOM 1790 CB THR A 118 0.620 0.573 7.354 1.00 0.00 C ATOM 1791 OG1 THR A 118 1.287 1.739 6.891 1.00 0.00 O ATOM 1792 CG2 THR A 118 -0.349 0.947 8.477 1.00 0.00 C ATOM 0 H THR A 118 2.328 -0.962 5.929 1.00 0.00 H new ATOM 0 HA THR A 118 2.119 -0.020 8.778 1.00 0.00 H new ATOM 0 HB THR A 118 0.062 0.123 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.628 2.380 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.084 1.659 8.101 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.859 0.051 8.831 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.205 1.398 9.300 1.00 0.00 H new ATOM 1800 N SER A 119 0.657 -1.991 9.453 1.00 0.00 N ATOM 1801 CA SER A 119 -0.006 -3.276 9.814 1.00 0.00 C ATOM 1802 C SER A 119 -1.111 -3.033 10.845 1.00 0.00 C ATOM 1803 O SER A 119 -1.099 -2.058 11.572 1.00 0.00 O ATOM 1804 CB SER A 119 1.032 -4.233 10.404 1.00 0.00 C ATOM 1805 OG SER A 119 1.494 -3.723 11.645 1.00 0.00 O ATOM 0 H SER A 119 0.836 -1.357 10.231 1.00 0.00 H new ATOM 0 HA SER A 119 -0.447 -3.710 8.917 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.593 -5.221 10.545 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.867 -4.351 9.714 1.00 0.00 H new ATOM 0 HG SER A 119 2.158 -4.336 12.024 1.00 0.00 H new ATOM 1811 N LYS A 120 -2.064 -3.924 10.913 1.00 0.00 N ATOM 1812 CA LYS A 120 -3.175 -3.772 11.894 1.00 0.00 C ATOM 1813 C LYS A 120 -3.630 -5.163 12.343 1.00 0.00 C ATOM 1814 O LYS A 120 -3.657 -6.094 11.563 1.00 0.00 O ATOM 1815 CB LYS A 120 -4.346 -3.038 11.233 1.00 0.00 C ATOM 1816 CG LYS A 120 -5.293 -2.513 12.314 1.00 0.00 C ATOM 1817 CD LYS A 120 -6.496 -1.839 11.652 1.00 0.00 C ATOM 1818 CE LYS A 120 -7.436 -1.297 12.732 1.00 0.00 C ATOM 1819 NZ LYS A 120 -8.769 -1.009 12.132 1.00 0.00 N ATOM 0 H LYS A 120 -2.120 -4.756 10.326 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.834 -3.197 12.755 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -3.976 -2.212 10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -4.880 -3.712 10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -5.626 -3.333 12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -4.772 -1.803 12.956 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.162 -1.028 11.005 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.024 -2.553 11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.538 -2.023 13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -7.019 -0.390 13.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -9.408 -0.641 12.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -8.664 -0.301 11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -9.167 -1.884 11.734 1.00 0.00 H new ATOM 1833 N TYR A 121 -3.977 -5.321 13.591 1.00 0.00 N ATOM 1834 CA TYR A 121 -4.417 -6.663 14.070 1.00 0.00 C ATOM 1835 C TYR A 121 -5.659 -6.520 14.953 1.00 0.00 C ATOM 1836 O TYR A 121 -5.835 -5.533 15.640 1.00 0.00 O ATOM 1837 CB TYR A 121 -3.289 -7.303 14.882 1.00 0.00 C ATOM 1838 CG TYR A 121 -3.122 -6.556 16.183 1.00 0.00 C ATOM 1839 CD1 TYR A 121 -2.463 -5.321 16.199 1.00 0.00 C ATOM 1840 CD2 TYR A 121 -3.625 -7.097 17.371 1.00 0.00 C ATOM 1841 CE1 TYR A 121 -2.308 -4.627 17.405 1.00 0.00 C ATOM 1842 CE2 TYR A 121 -3.471 -6.403 18.577 1.00 0.00 C ATOM 1843 CZ TYR A 121 -2.812 -5.169 18.594 1.00 0.00 C ATOM 1844 OH TYR A 121 -2.659 -4.483 19.782 1.00 0.00 O ATOM 0 H TYR A 121 -3.975 -4.584 14.296 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.658 -7.290 13.212 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.516 -8.351 15.078 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -2.359 -7.280 14.314 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -2.074 -4.904 15.282 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -4.132 -8.050 17.358 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -1.800 -3.674 17.418 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.861 -6.820 19.494 1.00 0.00 H new ATOM 0 HH TYR A 121 -3.066 -4.996 20.511 1.00 0.00 H new ATOM 1854 N HIS A 122 -6.519 -7.502 14.943 1.00 0.00 N ATOM 1855 CA HIS A 122 -7.748 -7.430 15.785 1.00 0.00 C ATOM 1856 C HIS A 122 -7.586 -8.341 17.006 1.00 0.00 C ATOM 1857 O HIS A 122 -6.631 -9.086 17.112 1.00 0.00 O ATOM 1858 CB HIS A 122 -8.956 -7.889 14.965 1.00 0.00 C ATOM 1859 CG HIS A 122 -9.252 -6.882 13.888 1.00 0.00 C ATOM 1860 ND1 HIS A 122 -9.791 -5.635 14.167 1.00 0.00 N ATOM 1861 CD2 HIS A 122 -9.094 -6.925 12.524 1.00 0.00 C ATOM 1862 CE1 HIS A 122 -9.937 -4.986 12.997 1.00 0.00 C ATOM 1863 NE2 HIS A 122 -9.528 -5.727 11.965 1.00 0.00 N ATOM 0 H HIS A 122 -6.424 -8.352 14.388 1.00 0.00 H new ATOM 0 HA HIS A 122 -7.901 -6.403 16.116 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.756 -8.863 14.520 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -9.824 -8.007 15.614 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -8.694 -7.761 11.970 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -10.337 -3.987 12.904 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.533 -5.470 10.978 1.00 0.00 H new ATOM 1871 N THR A 123 -8.509 -8.290 17.928 1.00 0.00 N ATOM 1872 CA THR A 123 -8.407 -9.154 19.141 1.00 0.00 C ATOM 1873 C THR A 123 -9.689 -9.971 19.295 1.00 0.00 C ATOM 1874 O THR A 123 -10.756 -9.555 18.891 1.00 0.00 O ATOM 1875 CB THR A 123 -8.216 -8.278 20.382 1.00 0.00 C ATOM 1876 OG1 THR A 123 -9.431 -7.596 20.669 1.00 0.00 O ATOM 1877 CG2 THR A 123 -7.106 -7.257 20.128 1.00 0.00 C ATOM 0 H THR A 123 -9.331 -7.687 17.894 1.00 0.00 H new ATOM 0 HA THR A 123 -7.555 -9.825 19.033 1.00 0.00 H new ATOM 0 HB THR A 123 -7.939 -8.906 21.229 1.00 0.00 H new ATOM 0 HG1 THR A 123 -9.312 -7.036 21.464 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.973 -6.636 21.014 1.00 0.00 H new ATOM 0 HG22 THR A 123 -6.175 -7.779 19.908 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.378 -6.627 19.281 1.00 0.00 H new ATOM 2169 N ALA A 142 11.390 -6.889 9.701 1.00 0.00 N ATOM 2170 CA ALA A 142 12.459 -5.965 9.225 1.00 0.00 C ATOM 2171 C ALA A 142 13.727 -6.765 8.922 1.00 0.00 C ATOM 2172 O ALA A 142 14.502 -6.413 8.055 1.00 0.00 O ATOM 2173 CB ALA A 142 12.757 -4.929 10.310 1.00 0.00 C ATOM 0 HA ALA A 142 12.125 -5.458 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 142 13.538 -4.253 9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 142 11.854 -4.359 10.526 1.00 0.00 H new ATOM 0 HB3 ALA A 142 13.092 -5.436 11.215 1.00 0.00 H new ATOM 2179 N HIS A 143 13.947 -7.838 9.632 1.00 0.00 N ATOM 2180 CA HIS A 143 15.167 -8.656 9.382 1.00 0.00 C ATOM 2181 C HIS A 143 15.022 -9.393 8.048 1.00 0.00 C ATOM 2182 O HIS A 143 15.972 -9.543 7.306 1.00 0.00 O ATOM 2183 CB HIS A 143 15.336 -9.675 10.510 1.00 0.00 C ATOM 2184 CG HIS A 143 16.587 -10.477 10.277 1.00 0.00 C ATOM 2185 ND1 HIS A 143 17.853 -9.923 10.392 1.00 0.00 N ATOM 2186 CD2 HIS A 143 16.783 -11.792 9.932 1.00 0.00 C ATOM 2187 CE1 HIS A 143 18.745 -10.892 10.122 1.00 0.00 C ATOM 2188 NE2 HIS A 143 18.147 -12.052 9.834 1.00 0.00 N ATOM 0 H HIS A 143 13.336 -8.183 10.373 1.00 0.00 H new ATOM 0 HA HIS A 143 16.040 -8.005 9.345 1.00 0.00 H new ATOM 0 HB2 HIS A 143 15.393 -9.164 11.471 1.00 0.00 H new ATOM 0 HB3 HIS A 143 14.470 -10.336 10.551 1.00 0.00 H new ATOM 0 HD2 HIS A 143 15.998 -12.514 9.763 1.00 0.00 H new ATOM 0 HE1 HIS A 143 19.816 -10.750 10.136 1.00 0.00 H new ATOM 0 HE2 HIS A 143 18.594 -12.937 9.594 1.00 0.00 H new ATOM 2196 N LEU A 144 13.841 -9.851 7.739 1.00 0.00 N ATOM 2197 CA LEU A 144 13.637 -10.575 6.454 1.00 0.00 C ATOM 2198 C LEU A 144 13.810 -9.599 5.289 1.00 0.00 C ATOM 2199 O LEU A 144 14.452 -9.902 4.301 1.00 0.00 O ATOM 2200 CB LEU A 144 12.225 -11.164 6.418 1.00 0.00 C ATOM 2201 CG LEU A 144 12.074 -12.204 7.532 1.00 0.00 C ATOM 2202 CD1 LEU A 144 10.726 -12.912 7.386 1.00 0.00 C ATOM 2203 CD2 LEU A 144 13.204 -13.230 7.428 1.00 0.00 C ATOM 0 H LEU A 144 13.009 -9.755 8.321 1.00 0.00 H new ATOM 0 HA LEU A 144 14.368 -11.379 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 144 11.486 -10.372 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 144 12.037 -11.625 5.448 1.00 0.00 H new ATOM 0 HG LEU A 144 12.122 -11.709 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 144 10.616 -13.653 8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.921 -12.181 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.679 -13.408 6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 144 13.097 -13.971 8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 144 13.157 -13.726 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 144 14.165 -12.725 7.530 1.00 0.00 H new ATOM 2215 N PHE A 145 13.242 -8.429 5.394 1.00 0.00 N ATOM 2216 CA PHE A 145 13.373 -7.433 4.293 1.00 0.00 C ATOM 2217 C PHE A 145 14.854 -7.210 3.978 1.00 0.00 C ATOM 2218 O PHE A 145 15.255 -7.177 2.832 1.00 0.00 O ATOM 2219 CB PHE A 145 12.742 -6.108 4.726 1.00 0.00 C ATOM 2220 CG PHE A 145 11.240 -6.259 4.786 1.00 0.00 C ATOM 2221 CD1 PHE A 145 10.544 -6.779 3.688 1.00 0.00 C ATOM 2222 CD2 PHE A 145 10.545 -5.878 5.940 1.00 0.00 C ATOM 2223 CE1 PHE A 145 9.151 -6.917 3.745 1.00 0.00 C ATOM 2224 CE2 PHE A 145 9.153 -6.016 5.996 1.00 0.00 C ATOM 2225 CZ PHE A 145 8.456 -6.536 4.899 1.00 0.00 C ATOM 0 H PHE A 145 12.692 -8.119 6.195 1.00 0.00 H new ATOM 0 HA PHE A 145 12.864 -7.807 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 145 13.127 -5.812 5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 145 13.011 -5.319 4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.080 -7.073 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 145 11.083 -5.478 6.787 1.00 0.00 H new ATOM 0 HE1 PHE A 145 8.613 -7.317 2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 145 8.617 -5.721 6.886 1.00 0.00 H new ATOM 0 HZ PHE A 145 7.382 -6.643 4.943 1.00 0.00 H new ATOM 2235 N LYS A 146 15.668 -7.057 4.985 1.00 0.00 N ATOM 2236 CA LYS A 146 17.122 -6.835 4.741 1.00 0.00 C ATOM 2237 C LYS A 146 17.685 -7.999 3.923 1.00 0.00 C ATOM 2238 O LYS A 146 18.540 -7.819 3.079 1.00 0.00 O ATOM 2239 CB LYS A 146 17.856 -6.751 6.080 1.00 0.00 C ATOM 2240 CG LYS A 146 17.392 -5.507 6.841 1.00 0.00 C ATOM 2241 CD LYS A 146 18.233 -5.343 8.108 1.00 0.00 C ATOM 2242 CE LYS A 146 17.676 -4.192 8.947 1.00 0.00 C ATOM 2243 NZ LYS A 146 18.698 -3.113 9.050 1.00 0.00 N ATOM 0 H LYS A 146 15.390 -7.076 5.966 1.00 0.00 H new ATOM 0 HA LYS A 146 17.261 -5.904 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 146 17.660 -7.646 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 146 18.932 -6.708 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 146 17.489 -4.624 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 146 16.337 -5.598 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 146 18.222 -6.267 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 146 19.272 -5.145 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 146 16.766 -3.803 8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 146 17.407 -4.549 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 18.320 -2.330 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 19.555 -3.489 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 18.933 -2.766 8.098 1.00 0.00 H new ATOM 2257 N LEU A 147 17.212 -9.191 4.165 1.00 0.00 N ATOM 2258 CA LEU A 147 17.724 -10.364 3.400 1.00 0.00 C ATOM 2259 C LEU A 147 17.326 -10.227 1.930 1.00 0.00 C ATOM 2260 O LEU A 147 18.085 -10.551 1.039 1.00 0.00 O ATOM 2261 CB LEU A 147 17.124 -11.648 3.975 1.00 0.00 C ATOM 2262 CG LEU A 147 17.522 -11.778 5.447 1.00 0.00 C ATOM 2263 CD1 LEU A 147 17.047 -13.128 5.988 1.00 0.00 C ATOM 2264 CD2 LEU A 147 19.046 -11.687 5.572 1.00 0.00 C ATOM 0 H LEU A 147 16.494 -9.403 4.858 1.00 0.00 H new ATOM 0 HA LEU A 147 18.810 -10.404 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 147 16.038 -11.630 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.478 -12.512 3.413 1.00 0.00 H new ATOM 0 HG LEU A 147 17.060 -10.974 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 147 17.331 -13.220 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 147 15.963 -13.195 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 147 17.509 -13.932 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 147 19.331 -11.779 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 147 19.507 -12.491 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 147 19.386 -10.726 5.187 1.00 0.00 H new ATOM 2276 N ILE A 148 16.139 -9.749 1.668 1.00 0.00 N ATOM 2277 CA ILE A 148 15.697 -9.592 0.256 1.00 0.00 C ATOM 2278 C ILE A 148 16.699 -8.714 -0.493 1.00 0.00 C ATOM 2279 O ILE A 148 17.256 -9.109 -1.497 1.00 0.00 O ATOM 2280 CB ILE A 148 14.317 -8.931 0.225 1.00 0.00 C ATOM 2281 CG1 ILE A 148 13.330 -9.772 1.038 1.00 0.00 C ATOM 2282 CG2 ILE A 148 13.831 -8.830 -1.222 1.00 0.00 C ATOM 2283 CD1 ILE A 148 13.397 -11.228 0.571 1.00 0.00 C ATOM 0 H ILE A 148 15.458 -9.461 2.371 1.00 0.00 H new ATOM 0 HA ILE A 148 15.642 -10.571 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 148 14.383 -7.932 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 148 13.569 -9.708 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 148 12.318 -9.385 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 148 12.848 -8.359 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 148 14.533 -8.230 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 148 13.765 -9.829 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 148 12.695 -11.828 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 148 13.137 -11.283 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 148 14.407 -11.611 0.717 1.00 0.00 H new ATOM 2295 N GLU A 149 16.938 -7.525 -0.011 1.00 0.00 N ATOM 2296 CA GLU A 149 17.907 -6.625 -0.693 1.00 0.00 C ATOM 2297 C GLU A 149 19.261 -7.329 -0.805 1.00 0.00 C ATOM 2298 O GLU A 149 19.967 -7.186 -1.783 1.00 0.00 O ATOM 2299 CB GLU A 149 18.067 -5.338 0.117 1.00 0.00 C ATOM 2300 CG GLU A 149 16.761 -4.542 0.072 1.00 0.00 C ATOM 2301 CD GLU A 149 15.899 -4.909 1.282 1.00 0.00 C ATOM 2302 OE1 GLU A 149 16.466 -5.253 2.305 1.00 0.00 O ATOM 2303 OE2 GLU A 149 14.686 -4.840 1.164 1.00 0.00 O ATOM 0 H GLU A 149 16.503 -7.139 0.827 1.00 0.00 H new ATOM 0 HA GLU A 149 17.539 -6.382 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 149 18.326 -5.575 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 149 18.884 -4.740 -0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 149 16.974 -3.473 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.222 -4.758 -0.851 1.00 0.00 H new ATOM 2310 N GLY A 150 19.626 -8.091 0.189 1.00 0.00 N ATOM 2311 CA GLY A 150 20.931 -8.806 0.137 1.00 0.00 C ATOM 2312 C GLY A 150 20.814 -10.002 -0.810 1.00 0.00 C ATOM 2313 O GLY A 150 21.781 -10.433 -1.405 1.00 0.00 O ATOM 0 H GLY A 150 19.077 -8.249 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 150 21.715 -8.131 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 150 21.214 -9.143 1.134 1.00 0.00 H new ATOM 2317 N TYR A 151 19.633 -10.539 -0.953 1.00 0.00 N ATOM 2318 CA TYR A 151 19.447 -11.705 -1.861 1.00 0.00 C ATOM 2319 C TYR A 151 19.759 -11.285 -3.298 1.00 0.00 C ATOM 2320 O TYR A 151 20.389 -12.008 -4.044 1.00 0.00 O ATOM 2321 CB TYR A 151 17.999 -12.192 -1.771 1.00 0.00 C ATOM 2322 CG TYR A 151 17.825 -13.428 -2.622 1.00 0.00 C ATOM 2323 CD1 TYR A 151 18.138 -14.687 -2.098 1.00 0.00 C ATOM 2324 CD2 TYR A 151 17.347 -13.313 -3.933 1.00 0.00 C ATOM 2325 CE1 TYR A 151 17.974 -15.833 -2.885 1.00 0.00 C ATOM 2326 CE2 TYR A 151 17.184 -14.460 -4.720 1.00 0.00 C ATOM 2327 CZ TYR A 151 17.497 -15.719 -4.196 1.00 0.00 C ATOM 2328 OH TYR A 151 17.336 -16.849 -4.973 1.00 0.00 O ATOM 0 H TYR A 151 18.788 -10.220 -0.479 1.00 0.00 H new ATOM 0 HA TYR A 151 20.119 -12.510 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 151 17.743 -12.413 -0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 151 17.320 -11.408 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 151 18.506 -14.775 -1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 151 17.104 -12.341 -4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 151 18.215 -16.805 -2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 151 16.817 -14.373 -5.732 1.00 0.00 H new ATOM 0 HH TYR A 151 16.995 -16.593 -5.856 1.00 0.00 H new ATOM 2338 N LEU A 152 19.321 -10.121 -3.695 1.00 0.00 N ATOM 2339 CA LEU A 152 19.594 -9.658 -5.085 1.00 0.00 C ATOM 2340 C LEU A 152 21.052 -9.207 -5.196 1.00 0.00 C ATOM 2341 O LEU A 152 21.754 -9.568 -6.118 1.00 0.00 O ATOM 2342 CB LEU A 152 18.666 -8.491 -5.428 1.00 0.00 C ATOM 2343 CG LEU A 152 17.221 -8.991 -5.469 1.00 0.00 C ATOM 2344 CD1 LEU A 152 16.712 -9.184 -4.041 1.00 0.00 C ATOM 2345 CD2 LEU A 152 16.344 -7.964 -6.190 1.00 0.00 C ATOM 0 H LEU A 152 18.787 -9.472 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 152 19.415 -10.477 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 152 18.768 -7.699 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 152 18.942 -8.062 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 152 17.179 -9.940 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 152 15.682 -9.540 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 152 17.336 -9.915 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 152 16.754 -8.234 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 152 15.315 -8.321 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 152 16.384 -7.014 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 152 16.708 -7.825 -7.208 1.00 0.00 H new