USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1004 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 125 ASN : amide:sc= -0.957 K(o=-6.1,f=-8.4!) USER MOD Set 1.2: A 144 HIS :FLIP no HD1:sc= -5.13! C(o=-9.1!,f=-6.1!) USER MOD Set 2.1: A 91 CYS SG : rot 180:sc= 0.378 USER MOD Set 2.2: A 94 CYS SG : rot -33:sc= -3.51! USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0.412 USER MOD Set 3.2: A 14 THR OG1 : rot 84:sc= 0.414 USER MOD Set 4.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 28 HIS : no HD1:sc= -3.6 X(o=-3.6,f=-3.7!) USER MOD Single : A 5 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.021) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 50:sc= -4.58! USER MOD Single : A 16 SER OG : rot -79:sc= 1.14 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.31 F(o=-5.1!,f=-1.3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -7.71! C(o=-16!,f=-7.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -84:sc= -0.894 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -3.49! C(o=-3.5!,f=-9.1!) USER MOD Single : A 75 ASN : amide:sc= -2.39 K(o=-2.4,f=-3.5!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.33! X(o=-2.3!,f=-2.5) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.79! USER MOD Single : A 93 ASN : amide:sc= -2.04 X(o=-2,f=-2.1!) USER MOD Single : A 95 TYR OH : rot 148:sc= -4.57! USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.64) USER MOD Single : A 126 SER OG : rot 180:sc= -0.207 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 30:sc= -0.392 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 TYR OH : rot -104:sc= 0.22 USER MOD Single : A 143 ASN : amide:sc= -7.67! C(o=-7.7!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 38 N GLU A 4 16.041 -2.982 -12.815 1.00 0.00 N ATOM 39 CA GLU A 4 15.114 -3.133 -11.702 1.00 0.00 C ATOM 40 C GLU A 4 13.805 -2.408 -11.987 1.00 0.00 C ATOM 41 O GLU A 4 13.726 -1.182 -11.906 1.00 0.00 O ATOM 42 CB GLU A 4 15.741 -2.593 -10.415 1.00 0.00 C ATOM 43 CG GLU A 4 16.884 -3.447 -9.888 1.00 0.00 C ATOM 44 CD GLU A 4 17.494 -2.895 -8.612 1.00 0.00 C ATOM 45 OE1 GLU A 4 18.309 -3.607 -7.989 1.00 0.00 O ATOM 46 OE2 GLU A 4 17.160 -1.751 -8.237 1.00 0.00 O ATOM 0 HA GLU A 4 14.901 -4.195 -11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.107 -1.582 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.970 -2.520 -9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.520 -4.458 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 4 17.658 -3.521 -10.652 1.00 0.00 H new ATOM 54 N ASN A 5 12.779 -3.180 -12.320 1.00 0.00 N ATOM 55 CA ASN A 5 11.461 -2.627 -12.615 1.00 0.00 C ATOM 56 C ASN A 5 10.889 -1.904 -11.401 1.00 0.00 C ATOM 57 O ASN A 5 10.261 -0.854 -11.528 1.00 0.00 O ATOM 58 CB ASN A 5 10.508 -3.736 -13.062 1.00 0.00 C ATOM 59 CG ASN A 5 10.857 -4.284 -14.431 1.00 0.00 C ATOM 60 OD1 ASN A 5 10.900 -5.498 -14.634 1.00 0.00 O ATOM 61 ND2 ASN A 5 11.112 -3.390 -15.379 1.00 0.00 N ATOM 0 H ASN A 5 12.833 -4.196 -12.393 1.00 0.00 H new ATOM 0 HA ASN A 5 11.570 -1.905 -13.424 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.531 -4.546 -12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.489 -3.350 -13.078 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.355 -3.700 -16.320 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.065 -2.394 -15.166 1.00 0.00 H new ATOM 68 N TYR A 6 11.102 -2.482 -10.222 1.00 0.00 N ATOM 69 CA TYR A 6 10.605 -1.899 -8.981 1.00 0.00 C ATOM 70 C TYR A 6 11.740 -1.263 -8.186 1.00 0.00 C ATOM 71 O TYR A 6 12.843 -1.808 -8.114 1.00 0.00 O ATOM 72 CB TYR A 6 9.918 -2.972 -8.134 1.00 0.00 C ATOM 73 CG TYR A 6 8.731 -3.618 -8.813 1.00 0.00 C ATOM 74 CD1 TYR A 6 7.453 -3.096 -8.665 1.00 0.00 C ATOM 75 CD2 TYR A 6 8.889 -4.753 -9.598 1.00 0.00 C ATOM 76 CE1 TYR A 6 6.365 -3.685 -9.281 1.00 0.00 C ATOM 77 CE2 TYR A 6 7.806 -5.349 -10.218 1.00 0.00 C ATOM 78 CZ TYR A 6 6.548 -4.811 -10.056 1.00 0.00 C ATOM 79 OH TYR A 6 5.466 -5.401 -10.670 1.00 0.00 O ATOM 0 H TYR A 6 11.616 -3.355 -10.101 1.00 0.00 H new ATOM 0 HA TYR A 6 9.883 -1.123 -9.235 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.645 -3.744 -7.882 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.589 -2.526 -7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.307 -2.215 -8.058 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.874 -5.177 -9.726 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.377 -3.266 -9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.946 -6.231 -10.826 1.00 0.00 H new ATOM 0 HH TYR A 6 5.765 -6.183 -11.179 1.00 0.00 H new ATOM 89 N TYR A 7 11.465 -0.108 -7.590 1.00 0.00 N ATOM 90 CA TYR A 7 12.465 0.600 -6.802 1.00 0.00 C ATOM 91 C TYR A 7 12.057 0.652 -5.332 1.00 0.00 C ATOM 92 O TYR A 7 10.870 0.610 -5.004 1.00 0.00 O ATOM 93 CB TYR A 7 12.676 2.017 -7.350 1.00 0.00 C ATOM 94 CG TYR A 7 11.503 2.946 -7.123 1.00 0.00 C ATOM 95 CD1 TYR A 7 11.420 3.712 -5.970 1.00 0.00 C ATOM 96 CD2 TYR A 7 10.482 3.053 -8.059 1.00 0.00 C ATOM 97 CE1 TYR A 7 10.352 4.558 -5.750 1.00 0.00 C ATOM 98 CE2 TYR A 7 9.410 3.899 -7.847 1.00 0.00 C ATOM 99 CZ TYR A 7 9.350 4.650 -6.692 1.00 0.00 C ATOM 100 OH TYR A 7 8.285 5.494 -6.477 1.00 0.00 O ATOM 0 H TYR A 7 10.558 0.357 -7.638 1.00 0.00 H new ATOM 0 HA TYR A 7 13.406 0.056 -6.877 1.00 0.00 H new ATOM 0 HB2 TYR A 7 13.562 2.447 -6.884 1.00 0.00 H new ATOM 0 HB3 TYR A 7 12.876 1.956 -8.420 1.00 0.00 H new ATOM 0 HD1 TYR A 7 12.205 3.645 -5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.527 2.467 -8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.302 5.145 -4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.623 3.972 -8.583 1.00 0.00 H new ATOM 0 HH TYR A 7 8.616 6.381 -6.226 1.00 0.00 H new ATOM 110 N ILE A 8 13.046 0.742 -4.451 1.00 0.00 N ATOM 111 CA ILE A 8 12.795 0.796 -3.018 1.00 0.00 C ATOM 112 C ILE A 8 13.549 1.955 -2.374 1.00 0.00 C ATOM 113 O ILE A 8 14.529 2.457 -2.926 1.00 0.00 O ATOM 114 CB ILE A 8 13.217 -0.516 -2.320 1.00 0.00 C ATOM 115 CG1 ILE A 8 12.626 -1.727 -3.044 1.00 0.00 C ATOM 116 CG2 ILE A 8 12.781 -0.506 -0.863 1.00 0.00 C ATOM 117 CD1 ILE A 8 11.114 -1.729 -3.082 1.00 0.00 C ATOM 0 H ILE A 8 14.033 0.779 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 8 11.722 0.940 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 8 14.304 -0.590 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 8 13.007 -1.752 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.970 -2.637 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.086 -1.437 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.247 0.335 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 8 11.697 -0.408 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.764 -2.616 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 8 10.724 -1.736 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.762 -0.836 -3.599 1.00 0.00 H new ATOM 129 N SER A 9 13.095 2.364 -1.194 1.00 0.00 N ATOM 130 CA SER A 9 13.734 3.446 -0.458 1.00 0.00 C ATOM 131 C SER A 9 14.215 2.928 0.898 1.00 0.00 C ATOM 132 O SER A 9 13.560 3.145 1.919 1.00 0.00 O ATOM 133 CB SER A 9 12.763 4.614 -0.264 1.00 0.00 C ATOM 134 OG SER A 9 13.345 5.640 0.518 1.00 0.00 O ATOM 0 H SER A 9 12.284 1.960 -0.726 1.00 0.00 H new ATOM 0 HA SER A 9 14.589 3.806 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.473 5.014 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.853 4.257 0.219 1.00 0.00 H new ATOM 0 HG SER A 9 12.704 6.374 0.625 1.00 0.00 H new ATOM 140 N PRO A 10 15.309 2.134 0.914 1.00 0.00 N ATOM 141 CA PRO A 10 16.135 1.830 -0.247 1.00 0.00 C ATOM 142 C PRO A 10 16.098 0.354 -0.636 1.00 0.00 C ATOM 143 O PRO A 10 15.389 -0.441 -0.020 1.00 0.00 O ATOM 144 CB PRO A 10 17.507 2.152 0.338 1.00 0.00 C ATOM 145 CG PRO A 10 17.411 1.694 1.773 1.00 0.00 C ATOM 146 CD PRO A 10 15.931 1.559 2.100 1.00 0.00 C ATOM 0 HA PRO A 10 15.835 2.363 -1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.301 1.629 -0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.728 3.217 0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.924 0.742 1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.889 2.412 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.639 0.520 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.662 2.101 3.006 1.00 0.00 H new ATOM 154 N SER A 11 16.847 0.003 -1.682 1.00 0.00 N ATOM 155 CA SER A 11 16.883 -1.372 -2.184 1.00 0.00 C ATOM 156 C SER A 11 17.130 -2.377 -1.063 1.00 0.00 C ATOM 157 O SER A 11 17.459 -2.001 0.062 1.00 0.00 O ATOM 158 CB SER A 11 17.966 -1.513 -3.254 1.00 0.00 C ATOM 159 OG SER A 11 19.261 -1.398 -2.689 1.00 0.00 O ATOM 0 H SER A 11 17.438 0.653 -2.199 1.00 0.00 H new ATOM 0 HA SER A 11 15.908 -1.589 -2.620 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.867 -2.478 -3.751 1.00 0.00 H new ATOM 0 HB3 SER A 11 17.830 -0.747 -4.017 1.00 0.00 H new ATOM 0 HG SER A 11 19.935 -1.493 -3.394 1.00 0.00 H new ATOM 165 N LEU A 12 16.952 -3.656 -1.376 1.00 0.00 N ATOM 166 CA LEU A 12 17.139 -4.711 -0.390 1.00 0.00 C ATOM 167 C LEU A 12 18.567 -4.712 0.142 1.00 0.00 C ATOM 168 O LEU A 12 18.793 -4.888 1.340 1.00 0.00 O ATOM 169 CB LEU A 12 16.811 -6.070 -1.010 1.00 0.00 C ATOM 170 CG LEU A 12 15.379 -6.215 -1.528 1.00 0.00 C ATOM 171 CD1 LEU A 12 15.161 -7.598 -2.122 1.00 0.00 C ATOM 172 CD2 LEU A 12 14.379 -5.944 -0.414 1.00 0.00 C ATOM 0 H LEU A 12 16.679 -3.985 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 12 16.463 -4.524 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.500 -6.252 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.993 -6.845 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 12 15.222 -5.478 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.136 -7.681 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.853 -7.751 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.337 -8.354 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.366 -6.052 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.536 -6.656 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.518 -4.930 -0.039 1.00 0.00 H new ATOM 184 N ASP A 13 19.529 -4.503 -0.751 1.00 0.00 N ATOM 185 CA ASP A 13 20.932 -4.469 -0.359 1.00 0.00 C ATOM 186 C ASP A 13 21.196 -3.300 0.584 1.00 0.00 C ATOM 187 O ASP A 13 21.823 -3.456 1.631 1.00 0.00 O ATOM 188 CB ASP A 13 21.826 -4.348 -1.599 1.00 0.00 C ATOM 189 CG ASP A 13 23.305 -4.428 -1.268 1.00 0.00 C ATOM 190 OD1 ASP A 13 24.105 -4.683 -2.192 1.00 0.00 O ATOM 191 OD2 ASP A 13 23.664 -4.235 -0.087 1.00 0.00 O ATOM 0 H ASP A 13 19.363 -4.355 -1.747 1.00 0.00 H new ATOM 0 HA ASP A 13 21.166 -5.398 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 13 21.572 -5.141 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 13 21.621 -3.401 -2.098 1.00 0.00 H new ATOM 197 N THR A 14 20.680 -2.129 0.217 1.00 0.00 N ATOM 198 CA THR A 14 20.855 -0.926 1.025 1.00 0.00 C ATOM 199 C THR A 14 20.228 -1.116 2.408 1.00 0.00 C ATOM 200 O THR A 14 20.797 -0.696 3.417 1.00 0.00 O ATOM 201 CB THR A 14 20.224 0.281 0.323 1.00 0.00 C ATOM 202 OG1 THR A 14 20.831 0.490 -0.942 1.00 0.00 O ATOM 203 CG2 THR A 14 20.348 1.572 1.111 1.00 0.00 C ATOM 0 H THR A 14 20.137 -1.988 -0.635 1.00 0.00 H new ATOM 0 HA THR A 14 21.923 -0.744 1.147 1.00 0.00 H new ATOM 0 HB THR A 14 19.166 0.039 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.410 -0.094 -1.607 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.880 2.384 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.852 1.459 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.402 1.801 1.270 1.00 0.00 H new ATOM 211 N LEU A 15 19.065 -1.755 2.444 1.00 0.00 N ATOM 212 CA LEU A 15 18.362 -1.995 3.698 1.00 0.00 C ATOM 213 C LEU A 15 19.198 -2.857 4.640 1.00 0.00 C ATOM 214 O LEU A 15 19.241 -2.611 5.845 1.00 0.00 O ATOM 215 CB LEU A 15 17.020 -2.676 3.429 1.00 0.00 C ATOM 216 CG LEU A 15 16.190 -2.982 4.677 1.00 0.00 C ATOM 217 CD1 LEU A 15 15.756 -1.690 5.353 1.00 0.00 C ATOM 218 CD2 LEU A 15 14.981 -3.830 4.316 1.00 0.00 C ATOM 0 H LEU A 15 18.588 -2.117 1.618 1.00 0.00 H new ATOM 0 HA LEU A 15 18.188 -1.031 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.433 -2.040 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.203 -3.608 2.895 1.00 0.00 H new ATOM 0 HG LEU A 15 16.807 -3.546 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.166 -1.923 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.637 -1.118 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.153 -1.102 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.401 -4.039 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.360 -3.292 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.314 -4.769 3.873 1.00 0.00 H new ATOM 230 N SER A 16 19.856 -3.870 4.087 1.00 0.00 N ATOM 231 CA SER A 16 20.687 -4.765 4.884 1.00 0.00 C ATOM 232 C SER A 16 21.834 -3.999 5.535 1.00 0.00 C ATOM 233 O SER A 16 22.352 -4.407 6.575 1.00 0.00 O ATOM 234 CB SER A 16 21.236 -5.904 4.024 1.00 0.00 C ATOM 235 OG SER A 16 22.205 -5.428 3.104 1.00 0.00 O ATOM 0 H SER A 16 19.830 -4.092 3.092 1.00 0.00 H new ATOM 0 HA SER A 16 20.064 -5.192 5.669 1.00 0.00 H new ATOM 0 HB2 SER A 16 21.681 -6.665 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.419 -6.381 3.482 1.00 0.00 H new ATOM 0 HG SER A 16 21.754 -5.015 2.338 1.00 0.00 H new ATOM 241 N SER A 17 22.212 -2.877 4.931 1.00 0.00 N ATOM 242 CA SER A 17 23.284 -2.046 5.472 1.00 0.00 C ATOM 243 C SER A 17 22.822 -1.369 6.765 1.00 0.00 C ATOM 244 O SER A 17 23.599 -0.702 7.447 1.00 0.00 O ATOM 245 CB SER A 17 23.709 -0.990 4.449 1.00 0.00 C ATOM 246 OG SER A 17 24.182 -1.596 3.258 1.00 0.00 O ATOM 0 H SER A 17 21.795 -2.523 4.070 1.00 0.00 H new ATOM 0 HA SER A 17 24.141 -2.683 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 17 22.864 -0.340 4.220 1.00 0.00 H new ATOM 0 HB3 SER A 17 24.490 -0.360 4.875 1.00 0.00 H new ATOM 0 HG SER A 17 24.446 -0.901 2.620 1.00 0.00 H new ATOM 252 N TYR A 18 21.547 -1.566 7.087 1.00 0.00 N ATOM 253 CA TYR A 18 20.941 -1.007 8.285 1.00 0.00 C ATOM 254 C TYR A 18 21.642 -1.510 9.538 1.00 0.00 C ATOM 255 O TYR A 18 22.301 -2.550 9.521 1.00 0.00 O ATOM 256 CB TYR A 18 19.473 -1.425 8.354 1.00 0.00 C ATOM 257 CG TYR A 18 18.510 -0.462 7.708 1.00 0.00 C ATOM 258 CD1 TYR A 18 18.815 0.171 6.512 1.00 0.00 C ATOM 259 CD2 TYR A 18 17.289 -0.190 8.303 1.00 0.00 C ATOM 260 CE1 TYR A 18 17.924 1.052 5.927 1.00 0.00 C ATOM 261 CE2 TYR A 18 16.394 0.685 7.728 1.00 0.00 C ATOM 262 CZ TYR A 18 16.715 1.305 6.540 1.00 0.00 C ATOM 263 OH TYR A 18 15.824 2.181 5.961 1.00 0.00 O ATOM 0 H TYR A 18 20.905 -2.120 6.520 1.00 0.00 H new ATOM 0 HA TYR A 18 21.032 0.078 8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.365 -2.399 7.878 1.00 0.00 H new ATOM 0 HB3 TYR A 18 19.194 -1.549 9.400 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.761 -0.027 6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.034 -0.673 9.235 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.173 1.539 4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 18 15.446 0.884 8.206 1.00 0.00 H new ATOM 0 HH TYR A 18 15.021 2.247 6.519 1.00 0.00 H new ATOM 273 N SER A 19 21.467 -0.781 10.631 1.00 0.00 N ATOM 274 CA SER A 19 22.052 -1.168 11.905 1.00 0.00 C ATOM 275 C SER A 19 21.196 -2.264 12.526 1.00 0.00 C ATOM 276 O SER A 19 20.142 -2.604 11.990 1.00 0.00 O ATOM 277 CB SER A 19 22.141 0.033 12.846 1.00 0.00 C ATOM 278 OG SER A 19 23.117 0.960 12.400 1.00 0.00 O ATOM 0 H SER A 19 20.924 0.082 10.660 1.00 0.00 H new ATOM 0 HA SER A 19 23.064 -1.539 11.740 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.170 0.524 12.907 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.390 -0.307 13.851 1.00 0.00 H new ATOM 0 HG SER A 19 23.153 1.720 13.018 1.00 0.00 H new ATOM 284 N LEU A 20 21.642 -2.829 13.645 1.00 0.00 N ATOM 285 CA LEU A 20 20.886 -3.897 14.292 1.00 0.00 C ATOM 286 C LEU A 20 19.489 -3.409 14.673 1.00 0.00 C ATOM 287 O LEU A 20 18.490 -4.058 14.363 1.00 0.00 O ATOM 288 CB LEU A 20 21.623 -4.396 15.535 1.00 0.00 C ATOM 289 CG LEU A 20 22.911 -5.172 15.254 1.00 0.00 C ATOM 290 CD1 LEU A 20 23.685 -5.407 16.542 1.00 0.00 C ATOM 291 CD2 LEU A 20 22.599 -6.492 14.567 1.00 0.00 C ATOM 0 H LEU A 20 22.509 -2.570 14.116 1.00 0.00 H new ATOM 0 HA LEU A 20 20.788 -4.722 13.587 1.00 0.00 H new ATOM 0 HB2 LEU A 20 21.863 -3.540 16.165 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.949 -5.034 16.107 1.00 0.00 H new ATOM 0 HG LEU A 20 23.533 -4.577 14.585 1.00 0.00 H new ATOM 0 HD11 LEU A 20 24.598 -5.960 16.322 1.00 0.00 H new ATOM 0 HD12 LEU A 20 23.941 -4.448 16.992 1.00 0.00 H new ATOM 0 HD13 LEU A 20 23.071 -5.981 17.236 1.00 0.00 H new ATOM 0 HD21 LEU A 20 23.527 -7.030 14.375 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.957 -7.094 15.210 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.089 -6.299 13.623 1.00 0.00 H new ATOM 303 N LEU A 21 19.426 -2.255 15.328 1.00 0.00 N ATOM 304 CA LEU A 21 18.147 -1.676 15.722 1.00 0.00 C ATOM 305 C LEU A 21 17.373 -1.178 14.501 1.00 0.00 C ATOM 306 O LEU A 21 16.154 -1.334 14.416 1.00 0.00 O ATOM 307 CB LEU A 21 18.371 -0.529 16.707 1.00 0.00 C ATOM 308 CG LEU A 21 17.098 0.162 17.196 1.00 0.00 C ATOM 309 CD1 LEU A 21 17.315 0.765 18.575 1.00 0.00 C ATOM 310 CD2 LEU A 21 16.657 1.231 16.208 1.00 0.00 C ATOM 0 H LEU A 21 20.241 -1.704 15.596 1.00 0.00 H new ATOM 0 HA LEU A 21 17.555 -2.452 16.207 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.913 -0.913 17.571 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.012 0.216 16.235 1.00 0.00 H new ATOM 0 HG LEU A 21 16.307 -0.585 17.268 1.00 0.00 H new ATOM 0 HD11 LEU A 21 16.399 1.253 18.907 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.582 -0.023 19.279 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.120 1.498 18.529 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.749 1.712 16.573 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.445 1.976 16.103 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.460 0.772 15.239 1.00 0.00 H new ATOM 322 N GLN A 22 18.096 -0.561 13.569 1.00 0.00 N ATOM 323 CA GLN A 22 17.494 -0.015 12.350 1.00 0.00 C ATOM 324 C GLN A 22 16.831 -1.105 11.510 1.00 0.00 C ATOM 325 O GLN A 22 15.739 -0.910 10.974 1.00 0.00 O ATOM 326 CB GLN A 22 18.550 0.717 11.524 1.00 0.00 C ATOM 327 CG GLN A 22 17.966 1.699 10.521 1.00 0.00 C ATOM 328 CD GLN A 22 17.344 2.910 11.189 1.00 0.00 C ATOM 329 OE1 GLN A 22 16.020 3.004 11.132 1.00 0.00 O flip ATOM 330 NE2 GLN A 22 18.045 3.751 11.749 1.00 0.00 N flip ATOM 0 H GLN A 22 19.105 -0.425 13.634 1.00 0.00 H new ATOM 0 HA GLN A 22 16.718 0.690 12.650 1.00 0.00 H new ATOM 0 HB2 GLN A 22 19.219 1.253 12.198 1.00 0.00 H new ATOM 0 HB3 GLN A 22 19.155 -0.017 10.991 1.00 0.00 H new ATOM 0 HG2 GLN A 22 18.751 2.027 9.839 1.00 0.00 H new ATOM 0 HG3 GLN A 22 17.212 1.193 9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 22 19.059 3.639 11.769 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.613 4.561 12.194 1.00 0.00 H new ATOM 339 N LEU A 23 17.495 -2.253 11.399 1.00 0.00 N ATOM 340 CA LEU A 23 16.964 -3.377 10.630 1.00 0.00 C ATOM 341 C LEU A 23 15.641 -3.851 11.212 1.00 0.00 C ATOM 342 O LEU A 23 14.719 -4.227 10.487 1.00 0.00 O ATOM 343 CB LEU A 23 17.958 -4.536 10.638 1.00 0.00 C ATOM 344 CG LEU A 23 19.239 -4.314 9.837 1.00 0.00 C ATOM 345 CD1 LEU A 23 20.278 -5.359 10.207 1.00 0.00 C ATOM 346 CD2 LEU A 23 18.942 -4.366 8.347 1.00 0.00 C ATOM 0 H LEU A 23 18.402 -2.430 11.832 1.00 0.00 H new ATOM 0 HA LEU A 23 16.802 -3.039 9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 23 18.230 -4.750 11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.457 -5.423 10.250 1.00 0.00 H new ATOM 0 HG LEU A 23 19.637 -3.328 10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 23 21.186 -5.190 9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 23 20.506 -5.285 11.270 1.00 0.00 H new ATOM 0 HD13 LEU A 23 19.888 -6.353 9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 23 19.863 -4.206 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 23 18.527 -5.341 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 23 18.223 -3.588 8.092 1.00 0.00 H new ATOM 358 N ARG A 24 15.573 -3.853 12.538 1.00 0.00 N ATOM 359 CA ARG A 24 14.387 -4.296 13.258 1.00 0.00 C ATOM 360 C ARG A 24 13.211 -3.346 13.062 1.00 0.00 C ATOM 361 O ARG A 24 12.057 -3.736 13.240 1.00 0.00 O ATOM 362 CB ARG A 24 14.711 -4.426 14.746 1.00 0.00 C ATOM 363 CG ARG A 24 15.651 -5.578 15.061 1.00 0.00 C ATOM 364 CD ARG A 24 15.942 -5.668 16.550 1.00 0.00 C ATOM 365 NE ARG A 24 14.772 -6.099 17.312 1.00 0.00 N ATOM 366 CZ ARG A 24 14.755 -6.245 18.637 1.00 0.00 C ATOM 367 NH1 ARG A 24 15.846 -5.996 19.353 1.00 0.00 N ATOM 368 NH2 ARG A 24 13.646 -6.640 19.247 1.00 0.00 N ATOM 0 H ARG A 24 16.336 -3.548 13.142 1.00 0.00 H new ATOM 0 HA ARG A 24 14.094 -5.265 12.855 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.159 -3.496 15.095 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.783 -4.562 15.302 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.209 -6.514 14.718 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.585 -5.447 14.514 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.761 -6.367 16.718 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.273 -4.695 16.914 1.00 0.00 H new ATOM 0 HE ARG A 24 13.914 -6.301 16.798 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.702 -5.692 18.889 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.828 -6.109 20.367 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.805 -6.832 18.702 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.634 -6.752 20.261 1.00 0.00 H new ATOM 382 N LYS A 25 13.502 -2.101 12.709 1.00 0.00 N ATOM 383 CA LYS A 25 12.448 -1.109 12.511 1.00 0.00 C ATOM 384 C LYS A 25 12.733 -0.202 11.317 1.00 0.00 C ATOM 385 O LYS A 25 13.396 0.818 11.464 1.00 0.00 O ATOM 386 CB LYS A 25 12.277 -0.267 13.776 1.00 0.00 C ATOM 387 CG LYS A 25 11.156 0.755 13.681 1.00 0.00 C ATOM 388 CD LYS A 25 11.029 1.565 14.961 1.00 0.00 C ATOM 389 CE LYS A 25 9.906 2.585 14.866 1.00 0.00 C ATOM 390 NZ LYS A 25 9.709 3.318 16.146 1.00 0.00 N ATOM 0 H LYS A 25 14.449 -1.754 12.555 1.00 0.00 H new ATOM 0 HA LYS A 25 11.525 -1.649 12.302 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.083 -0.929 14.620 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.213 0.251 13.987 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.344 1.425 12.842 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.214 0.245 13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.843 0.895 15.800 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.970 2.076 15.164 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.129 3.297 14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.980 2.080 14.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.934 4.003 16.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.471 2.642 16.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.584 3.821 16.396 1.00 0.00 H new ATOM 404 N VAL A 26 12.203 -0.579 10.154 1.00 0.00 N ATOM 405 CA VAL A 26 12.354 0.183 8.906 1.00 0.00 C ATOM 406 C VAL A 26 11.536 1.485 8.942 1.00 0.00 C ATOM 407 O VAL A 26 10.345 1.471 8.631 1.00 0.00 O ATOM 408 CB VAL A 26 11.913 -0.650 7.685 1.00 0.00 C ATOM 409 CG1 VAL A 26 12.204 0.090 6.388 1.00 0.00 C ATOM 410 CG2 VAL A 26 12.598 -2.008 7.695 1.00 0.00 C ATOM 0 H VAL A 26 11.651 -1.430 10.046 1.00 0.00 H new ATOM 0 HA VAL A 26 13.412 0.427 8.813 1.00 0.00 H new ATOM 0 HB VAL A 26 10.836 -0.805 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.884 -0.518 5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.663 1.036 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.274 0.283 6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.277 -2.584 6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.679 -1.871 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.330 -2.544 8.606 1.00 0.00 H new ATOM 420 N PRO A 27 12.139 2.627 9.339 1.00 0.00 N ATOM 421 CA PRO A 27 11.422 3.905 9.414 1.00 0.00 C ATOM 422 C PRO A 27 10.693 4.258 8.113 1.00 0.00 C ATOM 423 O PRO A 27 9.511 3.951 7.957 1.00 0.00 O ATOM 424 CB PRO A 27 12.522 4.934 9.737 1.00 0.00 C ATOM 425 CG PRO A 27 13.811 4.234 9.466 1.00 0.00 C ATOM 426 CD PRO A 27 13.550 2.779 9.722 1.00 0.00 C ATOM 0 HA PRO A 27 10.632 3.875 10.164 1.00 0.00 H new ATOM 0 HB2 PRO A 27 12.421 5.825 9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.463 5.260 10.775 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.136 4.398 8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.603 4.609 10.114 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.202 2.140 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.716 2.516 10.767 1.00 0.00 H new ATOM 434 N HIS A 28 11.391 4.916 7.189 1.00 0.00 N ATOM 435 CA HIS A 28 10.792 5.314 5.920 1.00 0.00 C ATOM 436 C HIS A 28 11.084 4.297 4.821 1.00 0.00 C ATOM 437 O HIS A 28 12.171 4.293 4.242 1.00 0.00 O ATOM 438 CB HIS A 28 11.315 6.693 5.513 1.00 0.00 C ATOM 439 CG HIS A 28 10.580 7.306 4.362 1.00 0.00 C ATOM 440 ND1 HIS A 28 10.946 7.118 3.046 1.00 0.00 N ATOM 441 CD2 HIS A 28 9.497 8.120 4.337 1.00 0.00 C ATOM 442 CE1 HIS A 28 10.122 7.791 2.262 1.00 0.00 C ATOM 443 NE2 HIS A 28 9.234 8.405 3.021 1.00 0.00 N ATOM 0 H HIS A 28 12.369 5.183 7.296 1.00 0.00 H new ATOM 0 HA HIS A 28 9.711 5.358 6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.250 7.363 6.371 1.00 0.00 H new ATOM 0 HB3 HIS A 28 12.370 6.608 5.254 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.944 8.478 5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.168 7.832 1.184 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.474 8.996 2.684 1.00 0.00 H new ATOM 452 N LEU A 29 10.104 3.447 4.523 1.00 0.00 N ATOM 453 CA LEU A 29 10.253 2.440 3.481 1.00 0.00 C ATOM 454 C LEU A 29 9.390 2.794 2.276 1.00 0.00 C ATOM 455 O LEU A 29 8.190 3.030 2.415 1.00 0.00 O ATOM 456 CB LEU A 29 9.868 1.059 4.014 1.00 0.00 C ATOM 457 CG LEU A 29 9.987 -0.082 3.001 1.00 0.00 C ATOM 458 CD1 LEU A 29 11.419 -0.209 2.505 1.00 0.00 C ATOM 459 CD2 LEU A 29 9.515 -1.389 3.616 1.00 0.00 C ATOM 0 H LEU A 29 9.198 3.438 4.991 1.00 0.00 H new ATOM 0 HA LEU A 29 11.298 2.417 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.498 0.829 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.840 1.099 4.374 1.00 0.00 H new ATOM 0 HG LEU A 29 9.349 0.146 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.484 -1.025 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.722 0.722 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.079 -0.415 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.606 -2.190 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.127 -1.623 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.473 -1.293 3.920 1.00 0.00 H new ATOM 471 N VAL A 30 9.998 2.835 1.097 1.00 0.00 N ATOM 472 CA VAL A 30 9.259 3.166 -0.115 1.00 0.00 C ATOM 473 C VAL A 30 9.318 2.024 -1.125 1.00 0.00 C ATOM 474 O VAL A 30 10.392 1.638 -1.585 1.00 0.00 O ATOM 475 CB VAL A 30 9.805 4.454 -0.768 1.00 0.00 C ATOM 476 CG1 VAL A 30 8.974 4.848 -1.982 1.00 0.00 C ATOM 477 CG2 VAL A 30 9.846 5.587 0.245 1.00 0.00 C ATOM 0 H VAL A 30 10.990 2.645 0.954 1.00 0.00 H new ATOM 0 HA VAL A 30 8.222 3.329 0.177 1.00 0.00 H new ATOM 0 HB VAL A 30 10.821 4.256 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.381 5.758 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.002 4.045 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.943 5.023 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.233 6.487 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.840 5.778 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.494 5.309 1.076 1.00 0.00 H new ATOM 487 N VAL A 31 8.148 1.504 -1.472 1.00 0.00 N ATOM 488 CA VAL A 31 8.043 0.416 -2.433 1.00 0.00 C ATOM 489 C VAL A 31 7.001 0.760 -3.494 1.00 0.00 C ATOM 490 O VAL A 31 5.885 1.162 -3.165 1.00 0.00 O ATOM 491 CB VAL A 31 7.661 -0.912 -1.741 1.00 0.00 C ATOM 492 CG1 VAL A 31 7.553 -2.050 -2.749 1.00 0.00 C ATOM 493 CG2 VAL A 31 8.668 -1.252 -0.653 1.00 0.00 C ATOM 0 H VAL A 31 7.253 1.821 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 31 9.018 0.287 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 31 6.681 -0.782 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.283 -2.970 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.787 -1.811 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.511 -2.184 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.385 -2.190 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.660 -1.354 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.682 -0.456 0.091 1.00 0.00 H new ATOM 503 N GLY A 32 7.365 0.613 -4.764 1.00 0.00 N ATOM 504 CA GLY A 32 6.433 0.923 -5.831 1.00 0.00 C ATOM 505 C GLY A 32 6.997 0.650 -7.209 1.00 0.00 C ATOM 506 O GLY A 32 8.192 0.394 -7.364 1.00 0.00 O ATOM 0 H GLY A 32 8.281 0.287 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.525 0.336 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.148 1.973 -5.763 1.00 0.00 H new ATOM 510 N HIS A 33 6.130 0.715 -8.212 1.00 0.00 N ATOM 511 CA HIS A 33 6.535 0.484 -9.591 1.00 0.00 C ATOM 512 C HIS A 33 6.084 1.645 -10.472 1.00 0.00 C ATOM 513 O HIS A 33 5.571 1.442 -11.571 1.00 0.00 O ATOM 514 CB HIS A 33 5.950 -0.832 -10.109 1.00 0.00 C ATOM 515 CG HIS A 33 6.512 -1.256 -11.431 1.00 0.00 C ATOM 516 ND1 HIS A 33 5.949 -1.304 -12.661 1.00 0.00 N flip ATOM 517 CD2 HIS A 33 7.810 -1.694 -11.589 1.00 0.00 C flip ATOM 518 CE1 HIS A 33 6.908 -1.766 -13.530 1.00 0.00 C flip ATOM 519 NE2 HIS A 33 8.021 -1.993 -12.858 1.00 0.00 N flip ATOM 0 H HIS A 33 5.139 0.927 -8.094 1.00 0.00 H new ATOM 0 HA HIS A 33 7.622 0.416 -9.627 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.136 -1.617 -9.376 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.869 -0.729 -10.199 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.991 -1.045 -12.899 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.540 -1.779 -10.798 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.773 -1.919 -14.591 1.00 0.00 H new ATOM 528 N LYS A 34 6.278 2.860 -9.961 1.00 0.00 N ATOM 529 CA LYS A 34 5.899 4.093 -10.659 1.00 0.00 C ATOM 530 C LYS A 34 4.487 4.029 -11.260 1.00 0.00 C ATOM 531 O LYS A 34 3.525 4.474 -10.634 1.00 0.00 O ATOM 532 CB LYS A 34 6.934 4.436 -11.738 1.00 0.00 C ATOM 533 CG LYS A 34 7.190 3.315 -12.732 1.00 0.00 C ATOM 534 CD LYS A 34 8.222 3.716 -13.773 1.00 0.00 C ATOM 535 CE LYS A 34 8.480 2.594 -14.766 1.00 0.00 C ATOM 536 NZ LYS A 34 9.419 3.011 -15.844 1.00 0.00 N ATOM 0 H LYS A 34 6.704 3.020 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 34 5.882 4.887 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.597 5.319 -12.281 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.874 4.699 -11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.534 2.428 -12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.257 3.047 -13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.877 4.602 -14.306 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.154 3.985 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.890 1.732 -14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.536 2.277 -15.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.569 2.218 -16.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.016 3.818 -16.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.329 3.289 -15.424 1.00 0.00 H new ATOM 550 N SER A 35 4.363 3.502 -12.475 1.00 0.00 N ATOM 551 CA SER A 35 3.068 3.411 -13.144 1.00 0.00 C ATOM 552 C SER A 35 2.066 2.582 -12.341 1.00 0.00 C ATOM 553 O SER A 35 0.892 2.933 -12.259 1.00 0.00 O ATOM 554 CB SER A 35 3.235 2.812 -14.539 1.00 0.00 C ATOM 555 OG SER A 35 3.924 3.704 -15.401 1.00 0.00 O ATOM 0 H SER A 35 5.144 3.131 -13.017 1.00 0.00 H new ATOM 0 HA SER A 35 2.673 4.424 -13.225 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.783 1.872 -14.471 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.256 2.581 -14.958 1.00 0.00 H new ATOM 0 HG SER A 35 4.019 3.295 -16.287 1.00 0.00 H new ATOM 561 N TYR A 36 2.527 1.473 -11.766 1.00 0.00 N ATOM 562 CA TYR A 36 1.656 0.599 -10.982 1.00 0.00 C ATOM 563 C TYR A 36 1.096 1.314 -9.754 1.00 0.00 C ATOM 564 O TYR A 36 -0.067 1.135 -9.396 1.00 0.00 O ATOM 565 CB TYR A 36 2.403 -0.666 -10.562 1.00 0.00 C ATOM 566 CG TYR A 36 2.476 -1.715 -11.648 1.00 0.00 C ATOM 567 CD1 TYR A 36 2.965 -1.405 -12.910 1.00 0.00 C ATOM 568 CD2 TYR A 36 2.056 -3.018 -11.410 1.00 0.00 C ATOM 569 CE1 TYR A 36 3.033 -2.361 -13.905 1.00 0.00 C ATOM 570 CE2 TYR A 36 2.120 -3.981 -12.399 1.00 0.00 C ATOM 571 CZ TYR A 36 2.610 -3.648 -13.644 1.00 0.00 C ATOM 572 OH TYR A 36 2.679 -4.605 -14.632 1.00 0.00 O ATOM 0 H TYR A 36 3.495 1.159 -11.828 1.00 0.00 H new ATOM 0 HA TYR A 36 0.815 0.320 -11.617 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.415 -0.397 -10.260 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.913 -1.094 -9.688 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.298 -0.399 -13.117 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.673 -3.283 -10.435 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.415 -2.102 -14.881 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.788 -4.989 -12.198 1.00 0.00 H new ATOM 0 HH TYR A 36 2.344 -5.458 -14.285 1.00 0.00 H new ATOM 582 N GLY A 37 1.934 2.115 -9.108 1.00 0.00 N ATOM 583 CA GLY A 37 1.510 2.840 -7.924 1.00 0.00 C ATOM 584 C GLY A 37 2.585 2.861 -6.855 1.00 0.00 C ATOM 585 O GLY A 37 3.346 1.903 -6.713 1.00 0.00 O ATOM 0 H GLY A 37 2.903 2.276 -9.383 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.252 3.863 -8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.607 2.380 -7.521 1.00 0.00 H new ATOM 589 N LYS A 38 2.652 3.956 -6.107 1.00 0.00 N ATOM 590 CA LYS A 38 3.648 4.101 -5.049 1.00 0.00 C ATOM 591 C LYS A 38 3.057 3.812 -3.672 1.00 0.00 C ATOM 592 O LYS A 38 2.037 4.386 -3.288 1.00 0.00 O ATOM 593 CB LYS A 38 4.247 5.507 -5.076 1.00 0.00 C ATOM 594 CG LYS A 38 5.129 5.771 -6.285 1.00 0.00 C ATOM 595 CD LYS A 38 5.698 7.181 -6.261 1.00 0.00 C ATOM 596 CE LYS A 38 6.578 7.447 -7.470 1.00 0.00 C ATOM 597 NZ LYS A 38 7.064 8.853 -7.507 1.00 0.00 N ATOM 0 H LYS A 38 2.029 4.757 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 38 4.434 3.369 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.438 6.238 -5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.832 5.661 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.945 5.048 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.551 5.626 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.882 7.903 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.277 7.325 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.431 6.769 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.018 7.233 -8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.661 8.992 -8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.251 9.500 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.620 9.051 -6.651 1.00 0.00 H new ATOM 611 N ILE A 39 3.714 2.927 -2.928 1.00 0.00 N ATOM 612 CA ILE A 39 3.269 2.563 -1.586 1.00 0.00 C ATOM 613 C ILE A 39 4.425 2.655 -0.589 1.00 0.00 C ATOM 614 O ILE A 39 5.556 2.284 -0.905 1.00 0.00 O ATOM 615 CB ILE A 39 2.657 1.144 -1.550 1.00 0.00 C ATOM 616 CG1 ILE A 39 2.070 0.852 -0.167 1.00 0.00 C ATOM 617 CG2 ILE A 39 3.693 0.094 -1.924 1.00 0.00 C ATOM 618 CD1 ILE A 39 1.244 -0.414 -0.117 1.00 0.00 C ATOM 0 H ILE A 39 4.560 2.447 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 39 2.493 3.273 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 39 1.854 1.101 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.883 0.775 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.449 1.694 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.237 -0.895 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.062 0.290 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.523 0.134 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.860 -0.558 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.410 -0.332 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.866 -1.265 -0.393 1.00 0.00 H new ATOM 630 N GLU A 40 4.141 3.156 0.611 1.00 0.00 N ATOM 631 CA GLU A 40 5.172 3.299 1.638 1.00 0.00 C ATOM 632 C GLU A 40 4.813 2.487 2.880 1.00 0.00 C ATOM 633 O GLU A 40 3.652 2.428 3.282 1.00 0.00 O ATOM 634 CB GLU A 40 5.344 4.772 2.007 1.00 0.00 C ATOM 635 CG GLU A 40 5.962 5.607 0.898 1.00 0.00 C ATOM 636 CD GLU A 40 6.122 7.063 1.284 1.00 0.00 C ATOM 637 OE1 GLU A 40 5.123 7.808 1.216 1.00 0.00 O ATOM 638 OE2 GLU A 40 7.247 7.459 1.654 1.00 0.00 O ATOM 0 H GLU A 40 3.213 3.468 0.896 1.00 0.00 H new ATOM 0 HA GLU A 40 6.112 2.919 1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.371 5.189 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.969 4.845 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.937 5.195 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.339 5.538 0.006 1.00 0.00 H new ATOM 646 N PHE A 41 5.820 1.847 3.472 1.00 0.00 N ATOM 647 CA PHE A 41 5.609 1.019 4.655 1.00 0.00 C ATOM 648 C PHE A 41 6.365 1.554 5.870 1.00 0.00 C ATOM 649 O PHE A 41 7.568 1.803 5.803 1.00 0.00 O ATOM 650 CB PHE A 41 6.061 -0.410 4.368 1.00 0.00 C ATOM 651 CG PHE A 41 5.323 -1.049 3.230 1.00 0.00 C ATOM 652 CD1 PHE A 41 5.797 -0.925 1.935 1.00 0.00 C ATOM 653 CD2 PHE A 41 4.157 -1.763 3.451 1.00 0.00 C ATOM 654 CE1 PHE A 41 5.122 -1.505 0.879 1.00 0.00 C ATOM 655 CE2 PHE A 41 3.477 -2.346 2.399 1.00 0.00 C ATOM 656 CZ PHE A 41 3.960 -2.218 1.111 1.00 0.00 C ATOM 0 H PHE A 41 6.788 1.887 3.152 1.00 0.00 H new ATOM 0 HA PHE A 41 4.544 1.040 4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.128 -0.408 4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.924 -1.014 5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.704 -0.369 1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.775 -1.865 4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.501 -1.402 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.569 -2.901 2.583 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.431 -2.674 0.287 1.00 0.00 H new ATOM 666 N LEU A 42 5.656 1.696 6.987 1.00 0.00 N ATOM 667 CA LEU A 42 6.276 2.161 8.227 1.00 0.00 C ATOM 668 C LEU A 42 6.501 0.995 9.185 1.00 0.00 C ATOM 669 O LEU A 42 6.791 1.180 10.369 1.00 0.00 O ATOM 670 CB LEU A 42 5.405 3.230 8.896 1.00 0.00 C ATOM 671 CG LEU A 42 5.536 4.633 8.300 1.00 0.00 C ATOM 672 CD1 LEU A 42 4.908 4.685 6.915 1.00 0.00 C ATOM 673 CD2 LEU A 42 4.893 5.662 9.218 1.00 0.00 C ATOM 0 H LEU A 42 4.658 1.498 7.060 1.00 0.00 H new ATOM 0 HA LEU A 42 7.242 2.601 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.362 2.920 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.660 3.275 9.955 1.00 0.00 H new ATOM 0 HG LEU A 42 6.596 4.871 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.010 5.690 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.412 3.974 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.851 4.428 6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.995 6.655 8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.836 5.427 9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.387 5.642 10.189 1.00 0.00 H new ATOM 685 N GLU A 43 6.387 -0.209 8.645 1.00 0.00 N ATOM 686 CA GLU A 43 6.559 -1.445 9.405 1.00 0.00 C ATOM 687 C GLU A 43 8.019 -1.632 9.829 1.00 0.00 C ATOM 688 O GLU A 43 8.923 -0.947 9.340 1.00 0.00 O ATOM 689 CB GLU A 43 6.116 -2.651 8.576 1.00 0.00 C ATOM 690 CG GLU A 43 4.836 -2.424 7.787 1.00 0.00 C ATOM 691 CD GLU A 43 4.516 -3.578 6.854 1.00 0.00 C ATOM 692 OE1 GLU A 43 5.372 -3.912 6.010 1.00 0.00 O ATOM 693 OE2 GLU A 43 3.409 -4.143 6.970 1.00 0.00 O ATOM 0 H GLU A 43 6.171 -0.360 7.660 1.00 0.00 H new ATOM 0 HA GLU A 43 5.939 -1.371 10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.915 -2.916 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.974 -3.503 9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.007 -2.280 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.929 -1.506 7.206 1.00 0.00 H new ATOM 701 N PRO A 44 8.284 -2.600 10.752 1.00 0.00 N ATOM 702 CA PRO A 44 9.612 -2.861 11.247 1.00 0.00 C ATOM 703 C PRO A 44 10.156 -4.179 10.690 1.00 0.00 C ATOM 704 O PRO A 44 10.142 -5.224 11.339 1.00 0.00 O ATOM 705 CB PRO A 44 9.327 -3.023 12.742 1.00 0.00 C ATOM 706 CG PRO A 44 7.963 -3.665 12.794 1.00 0.00 C ATOM 707 CD PRO A 44 7.300 -3.435 11.448 1.00 0.00 C ATOM 0 HA PRO A 44 10.344 -2.097 10.985 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.079 -3.647 13.225 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.334 -2.061 13.255 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.049 -4.732 13.002 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.365 -3.231 13.595 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.116 -4.371 10.921 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.339 -2.931 11.549 1.00 0.00 H new ATOM 715 N VAL A 45 10.551 -4.125 9.414 1.00 0.00 N ATOM 716 CA VAL A 45 11.098 -5.270 8.710 1.00 0.00 C ATOM 717 C VAL A 45 12.433 -5.745 9.247 1.00 0.00 C ATOM 718 O VAL A 45 13.475 -5.580 8.602 1.00 0.00 O ATOM 719 CB VAL A 45 11.211 -5.015 7.188 1.00 0.00 C ATOM 720 CG1 VAL A 45 11.513 -6.300 6.439 1.00 0.00 C ATOM 721 CG2 VAL A 45 9.947 -4.359 6.655 1.00 0.00 C ATOM 0 H VAL A 45 10.497 -3.280 8.846 1.00 0.00 H new ATOM 0 HA VAL A 45 10.378 -6.069 8.890 1.00 0.00 H new ATOM 0 HB VAL A 45 12.043 -4.331 7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.587 -6.090 5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.457 -6.715 6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.713 -7.019 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.049 -4.189 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.093 -5.011 6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.791 -3.406 7.160 1.00 0.00 H new ATOM 731 N ASP A 46 12.438 -6.240 10.487 1.00 0.00 N ATOM 732 CA ASP A 46 13.672 -6.728 11.101 1.00 0.00 C ATOM 733 C ASP A 46 14.395 -7.729 10.220 1.00 0.00 C ATOM 734 O ASP A 46 13.862 -8.796 9.910 1.00 0.00 O ATOM 735 CB ASP A 46 13.382 -7.332 12.477 1.00 0.00 C ATOM 736 CG ASP A 46 12.516 -8.576 12.386 1.00 0.00 C ATOM 737 OD1 ASP A 46 12.521 -9.374 13.346 1.00 0.00 O ATOM 738 OD2 ASP A 46 11.830 -8.748 11.356 1.00 0.00 O ATOM 0 H ASP A 46 11.611 -6.313 11.079 1.00 0.00 H new ATOM 0 HA ASP A 46 14.334 -5.871 11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.323 -7.581 12.968 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.884 -6.589 13.100 1.00 0.00 H new ATOM 744 N LEU A 47 15.612 -7.387 9.813 1.00 0.00 N ATOM 745 CA LEU A 47 16.407 -8.249 8.960 1.00 0.00 C ATOM 746 C LEU A 47 17.449 -9.028 9.774 1.00 0.00 C ATOM 747 O LEU A 47 18.215 -9.817 9.221 1.00 0.00 O ATOM 748 CB LEU A 47 17.082 -7.409 7.871 1.00 0.00 C ATOM 749 CG LEU A 47 18.140 -8.135 7.045 1.00 0.00 C ATOM 750 CD1 LEU A 47 17.531 -9.327 6.322 1.00 0.00 C ATOM 751 CD2 LEU A 47 18.792 -7.182 6.054 1.00 0.00 C ATOM 0 H LEU A 47 16.069 -6.510 10.065 1.00 0.00 H new ATOM 0 HA LEU A 47 15.749 -8.980 8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.313 -7.034 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.545 -6.541 8.340 1.00 0.00 H new ATOM 0 HG LEU A 47 18.910 -8.504 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.301 -9.831 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.116 -10.022 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.739 -8.983 5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 47 19.544 -7.718 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.033 -6.781 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 47 19.267 -6.363 6.595 1.00 0.00 H new ATOM 763 N ALA A 48 17.474 -8.801 11.086 1.00 0.00 N ATOM 764 CA ALA A 48 18.421 -9.485 11.958 1.00 0.00 C ATOM 765 C ALA A 48 18.225 -10.996 11.908 1.00 0.00 C ATOM 766 O ALA A 48 19.190 -11.758 11.897 1.00 0.00 O ATOM 767 CB ALA A 48 18.283 -8.982 13.386 1.00 0.00 C ATOM 0 H ALA A 48 16.851 -8.151 11.565 1.00 0.00 H new ATOM 0 HA ALA A 48 19.427 -9.264 11.601 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.996 -9.502 14.025 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.483 -7.911 13.415 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.271 -9.172 13.742 1.00 0.00 H new ATOM 773 N GLY A 49 16.965 -11.424 11.873 1.00 0.00 N ATOM 774 CA GLY A 49 16.663 -12.846 11.824 1.00 0.00 C ATOM 775 C GLY A 49 16.064 -13.268 10.497 1.00 0.00 C ATOM 776 O GLY A 49 16.688 -14.003 9.749 1.00 0.00 O ATOM 0 H GLY A 49 16.148 -10.813 11.878 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.576 -13.414 12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.969 -13.095 12.627 1.00 0.00 H new ATOM 780 N ILE A 50 14.846 -12.790 10.233 1.00 0.00 N ATOM 781 CA ILE A 50 14.090 -13.085 9.002 1.00 0.00 C ATOM 782 C ILE A 50 14.688 -12.410 7.762 1.00 0.00 C ATOM 783 O ILE A 50 14.359 -11.264 7.462 1.00 0.00 O ATOM 784 CB ILE A 50 12.615 -12.656 9.147 1.00 0.00 C ATOM 785 CG1 ILE A 50 12.516 -11.168 9.491 1.00 0.00 C ATOM 786 CG2 ILE A 50 11.919 -13.495 10.209 1.00 0.00 C ATOM 787 CD1 ILE A 50 11.100 -10.642 9.506 1.00 0.00 C ATOM 0 H ILE A 50 14.344 -12.177 10.875 1.00 0.00 H new ATOM 0 HA ILE A 50 14.153 -14.164 8.861 1.00 0.00 H new ATOM 0 HB ILE A 50 12.115 -12.821 8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 50 12.967 -10.999 10.469 1.00 0.00 H new ATOM 0 HG13 ILE A 50 13.099 -10.597 8.768 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.880 -13.179 10.299 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.956 -14.546 9.924 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.423 -13.361 11.166 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.108 -9.581 9.757 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.651 -10.778 8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 50 10.518 -11.186 10.249 1.00 0.00 H new ATOM 799 N PRO A 51 15.581 -13.095 7.010 1.00 0.00 N ATOM 800 CA PRO A 51 16.205 -12.514 5.822 1.00 0.00 C ATOM 801 C PRO A 51 15.325 -12.649 4.579 1.00 0.00 C ATOM 802 O PRO A 51 15.827 -12.749 3.460 1.00 0.00 O ATOM 803 CB PRO A 51 17.471 -13.344 5.664 1.00 0.00 C ATOM 804 CG PRO A 51 17.101 -14.693 6.185 1.00 0.00 C ATOM 805 CD PRO A 51 16.064 -14.470 7.256 1.00 0.00 C ATOM 0 HA PRO A 51 16.382 -11.444 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.785 -13.394 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.300 -12.915 6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 51 16.705 -15.322 5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.974 -15.205 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 51 15.254 -15.196 7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.493 -14.569 8.253 1.00 0.00 H new ATOM 813 N LEU A 52 14.010 -12.643 4.787 1.00 0.00 N ATOM 814 CA LEU A 52 13.058 -12.763 3.686 1.00 0.00 C ATOM 815 C LEU A 52 13.222 -11.593 2.716 1.00 0.00 C ATOM 816 O LEU A 52 13.148 -11.770 1.501 1.00 0.00 O ATOM 817 CB LEU A 52 11.623 -12.796 4.221 1.00 0.00 C ATOM 818 CG LEU A 52 10.537 -12.908 3.149 1.00 0.00 C ATOM 819 CD1 LEU A 52 10.714 -14.189 2.347 1.00 0.00 C ATOM 820 CD2 LEU A 52 9.156 -12.859 3.784 1.00 0.00 C ATOM 0 H LEU A 52 13.580 -12.556 5.708 1.00 0.00 H new ATOM 0 HA LEU A 52 13.258 -13.695 3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.525 -13.639 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.447 -11.891 4.802 1.00 0.00 H new ATOM 0 HG LEU A 52 10.631 -12.061 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.934 -14.254 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.691 -14.183 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.644 -15.048 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.395 -12.940 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.048 -13.687 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.033 -11.915 4.315 1.00 0.00 H new ATOM 906 N ILE A 59 8.177 -10.284 0.613 1.00 0.00 N ATOM 907 CA ILE A 59 7.563 -9.666 1.781 1.00 0.00 C ATOM 908 C ILE A 59 6.468 -8.682 1.365 1.00 0.00 C ATOM 909 O ILE A 59 5.414 -8.605 2.000 1.00 0.00 O ATOM 910 CB ILE A 59 8.620 -8.934 2.644 1.00 0.00 C ATOM 911 CG1 ILE A 59 9.680 -9.926 3.128 1.00 0.00 C ATOM 912 CG2 ILE A 59 7.975 -8.239 3.840 1.00 0.00 C ATOM 913 CD1 ILE A 59 10.877 -9.263 3.774 1.00 0.00 C ATOM 0 HA ILE A 59 7.116 -10.463 2.376 1.00 0.00 H new ATOM 0 HB ILE A 59 9.092 -8.172 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.225 -10.612 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.019 -10.525 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.744 -7.735 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.249 -7.507 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.472 -8.979 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.587 -10.026 4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.357 -8.598 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.551 -8.687 4.640 1.00 0.00 H new ATOM 925 N ILE A 60 6.724 -7.926 0.302 1.00 0.00 N ATOM 926 CA ILE A 60 5.762 -6.945 -0.184 1.00 0.00 C ATOM 927 C ILE A 60 5.310 -7.248 -1.611 1.00 0.00 C ATOM 928 O ILE A 60 6.132 -7.439 -2.507 1.00 0.00 O ATOM 929 CB ILE A 60 6.345 -5.516 -0.116 1.00 0.00 C ATOM 930 CG1 ILE A 60 5.249 -4.473 -0.394 1.00 0.00 C ATOM 931 CG2 ILE A 60 7.531 -5.357 -1.067 1.00 0.00 C ATOM 932 CD1 ILE A 60 4.902 -4.295 -1.862 1.00 0.00 C ATOM 0 H ILE A 60 7.588 -7.974 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 60 4.892 -7.008 0.469 1.00 0.00 H new ATOM 0 HB ILE A 60 6.719 -5.346 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.347 -4.760 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.570 -3.512 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.920 -4.341 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.314 -6.065 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.206 -5.551 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.121 -3.541 -1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.789 -3.974 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.547 -5.242 -2.269 1.00 0.00 H new ATOM 944 N THR A 61 3.998 -7.279 -1.816 1.00 0.00 N ATOM 945 CA THR A 61 3.430 -7.543 -3.133 1.00 0.00 C ATOM 946 C THR A 61 2.576 -6.363 -3.582 1.00 0.00 C ATOM 947 O THR A 61 1.722 -5.889 -2.830 1.00 0.00 O ATOM 948 CB THR A 61 2.596 -8.824 -3.106 1.00 0.00 C ATOM 949 OG1 THR A 61 3.393 -9.932 -2.728 1.00 0.00 O ATOM 950 CG2 THR A 61 1.957 -9.158 -4.438 1.00 0.00 C ATOM 0 H THR A 61 3.305 -7.124 -1.084 1.00 0.00 H new ATOM 0 HA THR A 61 4.244 -7.676 -3.845 1.00 0.00 H new ATOM 0 HB THR A 61 1.805 -8.634 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.842 -10.742 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.381 -10.079 -4.345 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.296 -8.345 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.734 -9.291 -5.191 1.00 0.00 H new ATOM 958 N PHE A 62 2.805 -5.882 -4.799 1.00 0.00 N ATOM 959 CA PHE A 62 2.045 -4.749 -5.313 1.00 0.00 C ATOM 960 C PHE A 62 1.359 -5.096 -6.632 1.00 0.00 C ATOM 961 O PHE A 62 1.993 -5.135 -7.686 1.00 0.00 O ATOM 962 CB PHE A 62 2.980 -3.555 -5.513 1.00 0.00 C ATOM 963 CG PHE A 62 2.286 -2.298 -5.961 1.00 0.00 C ATOM 964 CD1 PHE A 62 1.801 -1.394 -5.030 1.00 0.00 C ATOM 965 CD2 PHE A 62 2.123 -2.020 -7.308 1.00 0.00 C ATOM 966 CE1 PHE A 62 1.167 -0.235 -5.435 1.00 0.00 C ATOM 967 CE2 PHE A 62 1.488 -0.864 -7.717 1.00 0.00 C ATOM 968 CZ PHE A 62 1.010 0.030 -6.781 1.00 0.00 C ATOM 0 H PHE A 62 3.503 -6.254 -5.442 1.00 0.00 H new ATOM 0 HA PHE A 62 1.272 -4.496 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.501 -3.355 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.738 -3.821 -6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.920 -1.597 -3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.496 -2.714 -8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.795 0.463 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.365 -0.659 -8.770 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.514 0.935 -7.100 1.00 0.00 H new ATOM 978 N GLU A 63 0.051 -5.319 -6.562 1.00 0.00 N ATOM 979 CA GLU A 63 -0.744 -5.634 -7.743 1.00 0.00 C ATOM 980 C GLU A 63 -1.078 -4.355 -8.508 1.00 0.00 C ATOM 981 O GLU A 63 -1.392 -3.334 -7.896 1.00 0.00 O ATOM 982 CB GLU A 63 -2.029 -6.363 -7.348 1.00 0.00 C ATOM 983 CG GLU A 63 -1.785 -7.684 -6.638 1.00 0.00 C ATOM 984 CD GLU A 63 -3.072 -8.386 -6.252 1.00 0.00 C ATOM 985 OE1 GLU A 63 -3.263 -8.657 -5.048 1.00 0.00 O ATOM 986 OE2 GLU A 63 -3.891 -8.663 -7.154 1.00 0.00 O ATOM 0 H GLU A 63 -0.484 -5.287 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.160 -6.290 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.620 -5.715 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.623 -6.546 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.199 -8.337 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.190 -7.506 -5.742 1.00 0.00 H new ATOM 994 N PRO A 64 -1.016 -4.375 -9.854 1.00 0.00 N ATOM 995 CA PRO A 64 -1.321 -3.191 -10.659 1.00 0.00 C ATOM 996 C PRO A 64 -2.808 -2.872 -10.665 1.00 0.00 C ATOM 997 O PRO A 64 -3.433 -2.734 -11.716 1.00 0.00 O ATOM 998 CB PRO A 64 -0.836 -3.571 -12.057 1.00 0.00 C ATOM 999 CG PRO A 64 -0.928 -5.058 -12.096 1.00 0.00 C ATOM 1000 CD PRO A 64 -0.647 -5.535 -10.693 1.00 0.00 C ATOM 0 HA PRO A 64 -0.842 -2.293 -10.268 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.456 -3.115 -12.829 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.186 -3.232 -12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.917 -5.378 -12.425 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.207 -5.474 -12.800 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.238 -6.416 -10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.401 -5.807 -10.564 1.00 0.00 H new ATOM 1008 N LYS A 65 -3.357 -2.758 -9.464 1.00 0.00 N ATOM 1009 CA LYS A 65 -4.769 -2.458 -9.252 1.00 0.00 C ATOM 1010 C LYS A 65 -5.113 -2.623 -7.776 1.00 0.00 C ATOM 1011 O LYS A 65 -6.036 -1.990 -7.263 1.00 0.00 O ATOM 1012 CB LYS A 65 -5.663 -3.372 -10.097 1.00 0.00 C ATOM 1013 CG LYS A 65 -7.143 -3.081 -9.930 1.00 0.00 C ATOM 1014 CD LYS A 65 -7.998 -4.006 -10.779 1.00 0.00 C ATOM 1015 CE LYS A 65 -9.479 -3.707 -10.608 1.00 0.00 C ATOM 1016 NZ LYS A 65 -10.322 -4.542 -11.506 1.00 0.00 N ATOM 0 H LYS A 65 -2.830 -2.872 -8.598 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.949 -1.428 -9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.394 -3.262 -11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.470 -4.410 -9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.419 -3.191 -8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.343 -2.046 -10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.722 -3.898 -11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.800 -5.042 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.768 -3.884 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.663 -2.653 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.324 -4.307 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.065 -4.355 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.167 -5.548 -11.292 1.00 0.00 H new ATOM 1030 N THR A 66 -4.361 -3.493 -7.103 1.00 0.00 N ATOM 1031 CA THR A 66 -4.576 -3.766 -5.686 1.00 0.00 C ATOM 1032 C THR A 66 -3.248 -3.908 -4.949 1.00 0.00 C ATOM 1033 O THR A 66 -2.248 -4.330 -5.527 1.00 0.00 O ATOM 1034 CB THR A 66 -5.407 -5.039 -5.511 1.00 0.00 C ATOM 1035 OG1 THR A 66 -6.598 -4.968 -6.274 1.00 0.00 O ATOM 1036 CG2 THR A 66 -5.797 -5.306 -4.072 1.00 0.00 C ATOM 0 H THR A 66 -3.595 -4.022 -7.520 1.00 0.00 H new ATOM 0 HA THR A 66 -5.119 -2.923 -5.259 1.00 0.00 H new ATOM 0 HB THR A 66 -4.767 -5.852 -5.853 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.115 -5.791 -6.151 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.384 -6.223 -4.018 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.898 -5.415 -3.466 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.390 -4.473 -3.695 1.00 0.00 H new ATOM 1044 N CYS A 67 -3.243 -3.549 -3.670 1.00 0.00 N ATOM 1045 CA CYS A 67 -2.034 -3.635 -2.858 1.00 0.00 C ATOM 1046 C CYS A 67 -2.243 -4.573 -1.673 1.00 0.00 C ATOM 1047 O CYS A 67 -3.224 -4.449 -0.939 1.00 0.00 O ATOM 1048 CB CYS A 67 -1.639 -2.248 -2.355 1.00 0.00 C ATOM 1049 SG CYS A 67 -1.341 -1.046 -3.671 1.00 0.00 S ATOM 0 H CYS A 67 -4.061 -3.196 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.233 -4.034 -3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.428 -1.871 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.739 -2.336 -1.747 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.123 -1.173 -4.107 1.00 0.00 H new ATOM 1055 N ILE A 68 -1.317 -5.509 -1.488 1.00 0.00 N ATOM 1056 CA ILE A 68 -1.412 -6.461 -0.387 1.00 0.00 C ATOM 1057 C ILE A 68 -0.219 -6.317 0.558 1.00 0.00 C ATOM 1058 O ILE A 68 0.931 -6.511 0.159 1.00 0.00 O ATOM 1059 CB ILE A 68 -1.479 -7.910 -0.913 1.00 0.00 C ATOM 1060 CG1 ILE A 68 -2.600 -8.046 -1.945 1.00 0.00 C ATOM 1061 CG2 ILE A 68 -1.698 -8.887 0.232 1.00 0.00 C ATOM 1062 CD1 ILE A 68 -3.969 -7.706 -1.399 1.00 0.00 C ATOM 0 H ILE A 68 -0.497 -5.628 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.329 -6.241 0.159 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.529 -8.147 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.384 -7.395 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.612 -9.068 -2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.742 -9.903 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.874 -8.807 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.635 -8.652 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.714 -7.825 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.206 -8.374 -0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.974 -6.675 -1.047 1.00 0.00 H new ATOM 1074 N ILE A 69 -0.504 -5.963 1.810 1.00 0.00 N ATOM 1075 CA ILE A 69 0.540 -5.785 2.814 1.00 0.00 C ATOM 1076 C ILE A 69 1.002 -7.126 3.390 1.00 0.00 C ATOM 1077 O ILE A 69 2.200 -7.399 3.464 1.00 0.00 O ATOM 1078 CB ILE A 69 0.047 -4.865 3.961 1.00 0.00 C ATOM 1079 CG1 ILE A 69 -0.338 -3.493 3.404 1.00 0.00 C ATOM 1080 CG2 ILE A 69 1.111 -4.708 5.043 1.00 0.00 C ATOM 1081 CD1 ILE A 69 -1.053 -2.612 4.406 1.00 0.00 C ATOM 0 H ILE A 69 -1.450 -5.794 2.152 1.00 0.00 H new ATOM 0 HA ILE A 69 1.389 -5.315 2.317 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.829 -5.331 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.563 -2.983 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.977 -3.630 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.734 -4.057 5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.351 -5.685 5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.009 -4.269 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.295 -1.656 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.972 -3.101 4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.408 -2.444 5.268 1.00 0.00 H new ATOM 1093 N TYR A 70 0.045 -7.952 3.805 1.00 0.00 N ATOM 1094 CA TYR A 70 0.359 -9.254 4.390 1.00 0.00 C ATOM 1095 C TYR A 70 1.114 -10.138 3.401 1.00 0.00 C ATOM 1096 O TYR A 70 2.091 -10.793 3.762 1.00 0.00 O ATOM 1097 CB TYR A 70 -0.928 -9.948 4.836 1.00 0.00 C ATOM 1098 CG TYR A 70 -1.951 -10.102 3.733 1.00 0.00 C ATOM 1099 CD1 TYR A 70 -1.965 -11.231 2.924 1.00 0.00 C ATOM 1100 CD2 TYR A 70 -2.905 -9.119 3.503 1.00 0.00 C ATOM 1101 CE1 TYR A 70 -2.901 -11.378 1.918 1.00 0.00 C ATOM 1102 CE2 TYR A 70 -3.844 -9.258 2.498 1.00 0.00 C ATOM 1103 CZ TYR A 70 -3.838 -10.388 1.709 1.00 0.00 C ATOM 1104 OH TYR A 70 -4.770 -10.529 0.707 1.00 0.00 O ATOM 0 H TYR A 70 -0.952 -7.744 3.748 1.00 0.00 H new ATOM 0 HA TYR A 70 1.002 -9.091 5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.681 -10.934 5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.372 -9.380 5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.232 -12.007 3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.913 -8.232 4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.899 -12.263 1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.579 -8.484 2.332 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.357 -9.744 0.694 1.00 0.00 H new ATOM 1114 N ALA A 71 0.666 -10.128 2.150 1.00 0.00 N ATOM 1115 CA ALA A 71 1.297 -10.906 1.087 1.00 0.00 C ATOM 1116 C ALA A 71 1.228 -12.415 1.332 1.00 0.00 C ATOM 1117 O ALA A 71 0.491 -13.128 0.651 1.00 0.00 O ATOM 1118 CB ALA A 71 2.746 -10.472 0.910 1.00 0.00 C ATOM 0 H ALA A 71 -0.141 -9.584 1.844 1.00 0.00 H new ATOM 0 HA ALA A 71 0.736 -10.707 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.207 -11.058 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.780 -9.415 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.290 -10.632 1.841 1.00 0.00 H new ATOM 1124 N ASN A 72 2.019 -12.898 2.282 1.00 0.00 N ATOM 1125 CA ASN A 72 2.071 -14.327 2.587 1.00 0.00 C ATOM 1126 C ASN A 72 0.902 -14.785 3.459 1.00 0.00 C ATOM 1127 O ASN A 72 0.742 -15.973 3.686 1.00 0.00 O ATOM 1128 CB ASN A 72 3.396 -14.672 3.269 1.00 0.00 C ATOM 1129 CG ASN A 72 3.551 -13.998 4.619 1.00 0.00 C ATOM 1130 OD1 ASN A 72 2.882 -13.006 4.911 1.00 0.00 O ATOM 1131 ND2 ASN A 72 4.440 -14.530 5.451 1.00 0.00 N ATOM 0 H ASN A 72 2.635 -12.323 2.856 1.00 0.00 H new ATOM 0 HA ASN A 72 1.994 -14.858 1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.464 -15.752 3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.221 -14.375 2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.589 -14.116 6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.974 -15.352 5.169 1.00 0.00 H new ATOM 1138 N LEU A 73 0.113 -13.829 3.951 1.00 0.00 N ATOM 1139 CA LEU A 73 -1.059 -14.098 4.810 1.00 0.00 C ATOM 1140 C LEU A 73 -2.206 -14.780 4.051 1.00 0.00 C ATOM 1141 O LEU A 73 -3.040 -14.092 3.460 1.00 0.00 O ATOM 1142 CB LEU A 73 -1.560 -12.804 5.447 1.00 0.00 C ATOM 1143 CG LEU A 73 -0.762 -12.329 6.662 1.00 0.00 C ATOM 1144 CD1 LEU A 73 -0.837 -13.348 7.786 1.00 0.00 C ATOM 1145 CD2 LEU A 73 0.686 -12.059 6.276 1.00 0.00 C ATOM 0 H LEU A 73 0.264 -12.837 3.768 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.727 -14.788 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.547 -12.017 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.599 -12.943 5.746 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.202 -11.398 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.263 -12.990 8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.877 -13.488 8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.425 -14.298 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.239 -11.722 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.137 -12.974 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.720 -11.287 5.507 1.00 0.00 H new ATOM 1157 N PRO A 74 -2.285 -16.129 4.043 1.00 0.00 N ATOM 1158 CA PRO A 74 -3.327 -16.852 3.331 1.00 0.00 C ATOM 1159 C PRO A 74 -4.521 -17.210 4.225 1.00 0.00 C ATOM 1160 O PRO A 74 -5.129 -18.265 4.048 1.00 0.00 O ATOM 1161 CB PRO A 74 -2.592 -18.111 2.894 1.00 0.00 C ATOM 1162 CG PRO A 74 -1.622 -18.388 4.005 1.00 0.00 C ATOM 1163 CD PRO A 74 -1.376 -17.074 4.716 1.00 0.00 C ATOM 0 HA PRO A 74 -3.762 -16.269 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.281 -18.944 2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.076 -17.960 1.946 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.026 -19.129 4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.690 -18.794 3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.596 -17.149 5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.336 -16.760 4.626 1.00 0.00 H new ATOM 1171 N ASN A 75 -4.841 -16.338 5.176 1.00 0.00 N ATOM 1172 CA ASN A 75 -5.966 -16.578 6.076 1.00 0.00 C ATOM 1173 C ASN A 75 -6.493 -15.262 6.654 1.00 0.00 C ATOM 1174 O ASN A 75 -7.376 -14.633 6.067 1.00 0.00 O ATOM 1175 CB ASN A 75 -5.543 -17.534 7.205 1.00 0.00 C ATOM 1176 CG ASN A 75 -5.233 -18.930 6.699 1.00 0.00 C ATOM 1177 OD1 ASN A 75 -4.122 -19.431 6.873 1.00 0.00 O ATOM 1178 ND2 ASN A 75 -6.213 -19.566 6.069 1.00 0.00 N ATOM 0 H ASN A 75 -4.342 -15.464 5.344 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.772 -17.041 5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.665 -17.130 7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.339 -17.589 7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.060 -20.507 5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.119 -19.113 5.947 1.00 0.00 H new ATOM 1185 N ARG A 76 -5.956 -14.843 7.800 1.00 0.00 N ATOM 1186 CA ARG A 76 -6.379 -13.600 8.439 1.00 0.00 C ATOM 1187 C ARG A 76 -5.621 -13.370 9.746 1.00 0.00 C ATOM 1188 O ARG A 76 -4.897 -12.384 9.884 1.00 0.00 O ATOM 1189 CB ARG A 76 -7.888 -13.623 8.707 1.00 0.00 C ATOM 1190 CG ARG A 76 -8.455 -12.276 9.121 1.00 0.00 C ATOM 1191 CD ARG A 76 -9.930 -12.166 8.770 1.00 0.00 C ATOM 1192 NE ARG A 76 -10.172 -11.186 7.713 1.00 0.00 N ATOM 1193 CZ ARG A 76 -10.873 -11.440 6.608 1.00 0.00 C ATOM 1194 NH1 ARG A 76 -11.406 -12.640 6.408 1.00 0.00 N ATOM 1195 NH2 ARG A 76 -11.042 -10.489 5.700 1.00 0.00 N ATOM 0 H ARG A 76 -5.227 -15.348 8.304 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.151 -12.779 7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.403 -13.963 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.098 -14.352 9.490 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.323 -12.138 10.194 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.901 -11.478 8.626 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.300 -13.141 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.494 -11.886 9.660 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.781 -10.251 7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.280 -13.376 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.941 -12.825 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.636 -9.565 5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.578 -10.681 4.854 1.00 0.00 H new ATOM 1209 N PRO A 77 -5.776 -14.277 10.736 1.00 0.00 N ATOM 1210 CA PRO A 77 -5.106 -14.160 12.026 1.00 0.00 C ATOM 1211 C PRO A 77 -3.727 -14.810 12.030 1.00 0.00 C ATOM 1212 O PRO A 77 -3.280 -15.335 13.050 1.00 0.00 O ATOM 1213 CB PRO A 77 -6.054 -14.912 12.954 1.00 0.00 C ATOM 1214 CG PRO A 77 -6.624 -16.000 12.103 1.00 0.00 C ATOM 1215 CD PRO A 77 -6.621 -15.489 10.680 1.00 0.00 C ATOM 0 HA PRO A 77 -4.923 -13.124 12.309 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.526 -15.318 13.817 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.836 -14.257 13.338 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.029 -16.909 12.188 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.636 -16.250 12.422 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.213 -16.229 9.991 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.629 -15.257 10.337 1.00 0.00 H new ATOM 1223 N LYS A 78 -3.062 -14.775 10.883 1.00 0.00 N ATOM 1224 CA LYS A 78 -1.736 -15.367 10.750 1.00 0.00 C ATOM 1225 C LYS A 78 -0.658 -14.290 10.719 1.00 0.00 C ATOM 1226 O LYS A 78 0.364 -14.440 10.050 1.00 0.00 O ATOM 1227 CB LYS A 78 -1.659 -16.220 9.484 1.00 0.00 C ATOM 1228 CG LYS A 78 -2.655 -17.369 9.464 1.00 0.00 C ATOM 1229 CD LYS A 78 -2.292 -18.439 10.478 1.00 0.00 C ATOM 1230 CE LYS A 78 -3.290 -19.587 10.458 1.00 0.00 C ATOM 1231 NZ LYS A 78 -2.892 -20.685 11.381 1.00 0.00 N ATOM 0 H LYS A 78 -3.418 -14.343 10.031 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.562 -16.003 11.618 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.833 -15.584 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.651 -16.622 9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.654 -16.989 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.686 -17.807 8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.293 -18.820 10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.260 -18.001 11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.276 -19.216 10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.374 -19.978 9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.598 -21.448 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.963 -21.057 11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.837 -20.319 12.353 1.00 0.00 H new ATOM 1245 N ARG A 79 -0.894 -13.200 11.443 1.00 0.00 N ATOM 1246 CA ARG A 79 0.057 -12.097 11.497 1.00 0.00 C ATOM 1247 C ARG A 79 1.392 -12.564 12.066 1.00 0.00 C ATOM 1248 O ARG A 79 1.434 -13.351 13.012 1.00 0.00 O ATOM 1249 CB ARG A 79 -0.503 -10.952 12.344 1.00 0.00 C ATOM 1250 CG ARG A 79 -1.671 -10.228 11.694 1.00 0.00 C ATOM 1251 CD ARG A 79 -2.190 -9.102 12.573 1.00 0.00 C ATOM 1252 NE ARG A 79 -3.315 -8.399 11.958 1.00 0.00 N ATOM 1253 CZ ARG A 79 -3.901 -7.325 12.486 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -3.474 -6.823 13.640 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -4.917 -6.750 11.858 1.00 0.00 N ATOM 0 H ARG A 79 -1.736 -13.058 12.000 1.00 0.00 H new ATOM 0 HA ARG A 79 0.220 -11.737 10.481 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.823 -11.347 13.308 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.293 -10.235 12.542 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.359 -9.824 10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.475 -10.937 11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.499 -9.508 13.536 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.384 -8.395 12.769 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.673 -8.752 11.071 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.692 -7.260 14.128 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.928 -6.001 14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.249 -7.130 10.972 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.366 -5.928 12.261 1.00 0.00 H new ATOM 1269 N GLY A 80 2.481 -12.073 11.485 1.00 0.00 N ATOM 1270 CA GLY A 80 3.803 -12.452 11.944 1.00 0.00 C ATOM 1271 C GLY A 80 4.515 -11.327 12.669 1.00 0.00 C ATOM 1272 O GLY A 80 3.882 -10.383 13.139 1.00 0.00 O ATOM 0 H GLY A 80 2.471 -11.418 10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.720 -13.312 12.609 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.403 -12.766 11.090 1.00 0.00 H new ATOM 1276 N GLU A 81 5.836 -11.429 12.758 1.00 0.00 N ATOM 1277 CA GLU A 81 6.641 -10.416 13.430 1.00 0.00 C ATOM 1278 C GLU A 81 7.336 -9.518 12.413 1.00 0.00 C ATOM 1279 O GLU A 81 7.821 -9.988 11.383 1.00 0.00 O ATOM 1280 CB GLU A 81 7.675 -11.080 14.341 1.00 0.00 C ATOM 1281 CG GLU A 81 8.557 -10.091 15.089 1.00 0.00 C ATOM 1282 CD GLU A 81 9.575 -10.769 15.988 1.00 0.00 C ATOM 1283 OE1 GLU A 81 10.472 -10.068 16.501 1.00 0.00 O ATOM 1284 OE2 GLU A 81 9.475 -12.000 16.181 1.00 0.00 O ATOM 0 H GLU A 81 6.374 -12.205 12.372 1.00 0.00 H new ATOM 0 HA GLU A 81 5.979 -9.800 14.038 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.157 -11.710 15.064 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.307 -11.735 13.741 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.079 -9.461 14.369 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.929 -9.435 15.691 1.00 0.00 H new ATOM 1292 N GLY A 82 7.380 -8.223 12.709 1.00 0.00 N ATOM 1293 CA GLY A 82 8.017 -7.278 11.809 1.00 0.00 C ATOM 1294 C GLY A 82 7.038 -6.625 10.850 1.00 0.00 C ATOM 1295 O GLY A 82 7.427 -5.784 10.039 1.00 0.00 O ATOM 0 H GLY A 82 6.986 -7.811 13.555 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.515 -6.505 12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.790 -7.792 11.238 1.00 0.00 H new ATOM 1299 N ILE A 83 5.766 -7.007 10.939 1.00 0.00 N ATOM 1300 CA ILE A 83 4.741 -6.442 10.070 1.00 0.00 C ATOM 1301 C ILE A 83 3.870 -5.435 10.821 1.00 0.00 C ATOM 1302 O ILE A 83 3.108 -5.804 11.714 1.00 0.00 O ATOM 1303 CB ILE A 83 3.841 -7.543 9.473 1.00 0.00 C ATOM 1304 CG1 ILE A 83 3.139 -8.323 10.585 1.00 0.00 C ATOM 1305 CG2 ILE A 83 4.661 -8.479 8.598 1.00 0.00 C ATOM 1306 CD1 ILE A 83 2.061 -9.259 10.081 1.00 0.00 C ATOM 0 H ILE A 83 5.423 -7.703 11.602 1.00 0.00 H new ATOM 0 HA ILE A 83 5.261 -5.930 9.260 1.00 0.00 H new ATOM 0 HB ILE A 83 3.079 -7.070 8.854 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.881 -8.900 11.137 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.696 -7.618 11.288 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.013 -9.251 8.184 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.116 -7.912 7.785 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.443 -8.945 9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.607 -9.779 10.925 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.298 -8.685 9.555 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.501 -9.988 9.400 1.00 0.00 H new ATOM 1318 N ASN A 84 3.988 -4.163 10.451 1.00 0.00 N ATOM 1319 CA ASN A 84 3.208 -3.104 11.085 1.00 0.00 C ATOM 1320 C ASN A 84 2.155 -2.555 10.126 1.00 0.00 C ATOM 1321 O ASN A 84 2.489 -1.963 9.101 1.00 0.00 O ATOM 1322 CB ASN A 84 4.127 -1.974 11.551 1.00 0.00 C ATOM 1323 CG ASN A 84 3.409 -0.965 12.425 1.00 0.00 C ATOM 1324 OD1 ASN A 84 2.338 -1.245 12.965 1.00 0.00 O ATOM 1325 ND2 ASN A 84 3.995 0.217 12.569 1.00 0.00 N ATOM 0 H ASN A 84 4.616 -3.840 9.715 1.00 0.00 H new ATOM 0 HA ASN A 84 2.700 -3.530 11.950 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.966 -2.397 12.104 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.542 -1.466 10.681 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.558 0.936 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.883 0.406 12.103 1.00 0.00 H new ATOM 1332 N VAL A 85 0.880 -2.748 10.459 1.00 0.00 N ATOM 1333 CA VAL A 85 -0.213 -2.264 9.612 1.00 0.00 C ATOM 1334 C VAL A 85 -0.190 -0.750 9.421 1.00 0.00 C ATOM 1335 O VAL A 85 -1.049 -0.178 8.748 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.591 -2.693 10.151 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -2.683 -2.391 9.136 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -1.587 -4.171 10.515 1.00 0.00 C ATOM 0 H VAL A 85 0.578 -3.233 11.304 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.051 -2.728 8.639 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.799 -2.119 11.054 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.648 -2.702 9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.703 -1.321 8.931 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.482 -2.934 8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.569 -4.455 10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.354 -4.763 9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.835 -4.355 11.282 1.00 0.00 H new ATOM 1348 N ARG A 86 0.800 -0.125 10.009 1.00 0.00 N ATOM 1349 CA ARG A 86 0.981 1.321 9.917 1.00 0.00 C ATOM 1350 C ARG A 86 1.672 1.696 8.606 1.00 0.00 C ATOM 1351 O ARG A 86 2.802 2.184 8.606 1.00 0.00 O ATOM 1352 CB ARG A 86 1.790 1.833 11.112 1.00 0.00 C ATOM 1353 CG ARG A 86 2.021 3.336 11.092 1.00 0.00 C ATOM 1354 CD ARG A 86 2.827 3.792 12.296 1.00 0.00 C ATOM 1355 NE ARG A 86 3.053 5.236 12.290 1.00 0.00 N ATOM 1356 CZ ARG A 86 3.458 5.932 13.352 1.00 0.00 C ATOM 1357 NH1 ARG A 86 3.687 5.322 14.510 1.00 0.00 N ATOM 1358 NH2 ARG A 86 3.637 7.243 13.257 1.00 0.00 N ATOM 0 H ARG A 86 1.510 -0.597 10.569 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.002 1.792 9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.271 1.566 12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.755 1.326 11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.544 3.612 10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.061 3.852 11.079 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.304 3.511 13.210 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.787 3.275 12.306 1.00 0.00 H new ATOM 0 HE ARG A 86 2.891 5.742 11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.553 4.314 14.591 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.997 5.862 15.318 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.465 7.718 12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.947 7.776 14.070 1.00 0.00 H new ATOM 1372 N ALA A 87 0.994 1.455 7.490 1.00 0.00 N ATOM 1373 CA ALA A 87 1.557 1.761 6.181 1.00 0.00 C ATOM 1374 C ALA A 87 0.566 2.516 5.304 1.00 0.00 C ATOM 1375 O ALA A 87 -0.645 2.457 5.519 1.00 0.00 O ATOM 1376 CB ALA A 87 2.005 0.483 5.488 1.00 0.00 C ATOM 0 H ALA A 87 0.058 1.050 7.465 1.00 0.00 H new ATOM 0 HA ALA A 87 2.421 2.407 6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.423 0.726 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 87 2.763 -0.013 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.150 -0.181 5.361 1.00 0.00 H new ATOM 1382 N ARG A 88 1.092 3.221 4.308 1.00 0.00 N ATOM 1383 CA ARG A 88 0.265 3.987 3.386 1.00 0.00 C ATOM 1384 C ARG A 88 0.241 3.316 2.017 1.00 0.00 C ATOM 1385 O ARG A 88 1.276 2.869 1.522 1.00 0.00 O ATOM 1386 CB ARG A 88 0.793 5.417 3.258 1.00 0.00 C ATOM 1387 CG ARG A 88 0.604 6.252 4.513 1.00 0.00 C ATOM 1388 CD ARG A 88 1.151 7.659 4.334 1.00 0.00 C ATOM 1389 NE ARG A 88 2.581 7.658 4.034 1.00 0.00 N ATOM 1390 CZ ARG A 88 3.322 8.762 3.929 1.00 0.00 C ATOM 1391 NH1 ARG A 88 2.772 9.960 4.094 1.00 0.00 N ATOM 1392 NH2 ARG A 88 4.615 8.667 3.656 1.00 0.00 N ATOM 0 H ARG A 88 2.093 3.277 4.119 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.751 4.022 3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.854 5.382 3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.288 5.908 2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.456 6.302 4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.106 5.769 5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.612 8.157 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.972 8.236 5.241 1.00 0.00 H new ATOM 0 HE ARG A 88 3.041 6.758 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.777 10.040 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.345 10.800 4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.043 7.750 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.183 9.511 3.575 1.00 0.00 H new ATOM 1406 N ILE A 89 -0.940 3.229 1.419 1.00 0.00 N ATOM 1407 CA ILE A 89 -1.080 2.593 0.115 1.00 0.00 C ATOM 1408 C ILE A 89 -1.627 3.572 -0.923 1.00 0.00 C ATOM 1409 O ILE A 89 -2.731 4.094 -0.781 1.00 0.00 O ATOM 1410 CB ILE A 89 -2.009 1.355 0.206 1.00 0.00 C ATOM 1411 CG1 ILE A 89 -1.431 0.336 1.189 1.00 0.00 C ATOM 1412 CG2 ILE A 89 -2.205 0.707 -1.161 1.00 0.00 C ATOM 1413 CD1 ILE A 89 -2.382 -0.792 1.521 1.00 0.00 C ATOM 0 H ILE A 89 -1.810 3.588 1.813 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.087 2.272 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.982 1.691 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.516 -0.083 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.153 0.849 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.861 -0.158 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.654 1.428 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.240 0.388 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.905 -1.476 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.287 -0.384 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.640 -1.330 0.609 1.00 0.00 H new ATOM 1425 N THR A 90 -0.843 3.794 -1.976 1.00 0.00 N ATOM 1426 CA THR A 90 -1.248 4.690 -3.054 1.00 0.00 C ATOM 1427 C THR A 90 -1.294 3.918 -4.373 1.00 0.00 C ATOM 1428 O THR A 90 -0.343 3.222 -4.727 1.00 0.00 O ATOM 1429 CB THR A 90 -0.271 5.866 -3.164 1.00 0.00 C ATOM 1430 OG1 THR A 90 -0.248 6.605 -1.957 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.615 6.830 -4.282 1.00 0.00 C ATOM 0 H THR A 90 0.074 3.366 -2.105 1.00 0.00 H new ATOM 0 HA THR A 90 -2.240 5.084 -2.835 1.00 0.00 H new ATOM 0 HB THR A 90 0.700 5.419 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.381 7.351 -2.042 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.116 7.638 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.600 6.302 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.609 7.245 -4.112 1.00 0.00 H new ATOM 1439 N CYS A 91 -2.405 4.041 -5.092 1.00 0.00 N ATOM 1440 CA CYS A 91 -2.561 3.340 -6.362 1.00 0.00 C ATOM 1441 C CYS A 91 -3.314 4.189 -7.381 1.00 0.00 C ATOM 1442 O CYS A 91 -4.024 5.127 -7.024 1.00 0.00 O ATOM 1443 CB CYS A 91 -3.291 2.014 -6.146 1.00 0.00 C ATOM 1444 SG CYS A 91 -4.982 2.196 -5.534 1.00 0.00 S ATOM 0 H CYS A 91 -3.204 4.614 -4.821 1.00 0.00 H new ATOM 0 HA CYS A 91 -1.565 3.144 -6.758 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -3.314 1.466 -7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -2.723 1.409 -5.439 1.00 0.00 H new ATOM 0 HG CYS A 91 -5.518 1.021 -5.385 1.00 0.00 H new ATOM 1450 N PHE A 92 -3.154 3.840 -8.654 1.00 0.00 N ATOM 1451 CA PHE A 92 -3.817 4.558 -9.738 1.00 0.00 C ATOM 1452 C PHE A 92 -5.078 3.815 -10.187 1.00 0.00 C ATOM 1453 O PHE A 92 -5.214 2.613 -9.957 1.00 0.00 O ATOM 1454 CB PHE A 92 -2.856 4.734 -10.921 1.00 0.00 C ATOM 1455 CG PHE A 92 -2.545 3.452 -11.650 1.00 0.00 C ATOM 1456 CD1 PHE A 92 -1.598 2.569 -11.158 1.00 0.00 C ATOM 1457 CD2 PHE A 92 -3.206 3.135 -12.824 1.00 0.00 C ATOM 1458 CE1 PHE A 92 -1.319 1.391 -11.825 1.00 0.00 C ATOM 1459 CE2 PHE A 92 -2.930 1.959 -13.496 1.00 0.00 C ATOM 1460 CZ PHE A 92 -1.985 1.086 -12.996 1.00 0.00 C ATOM 0 H PHE A 92 -2.570 3.062 -8.961 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.110 5.542 -9.371 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.288 5.445 -11.625 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.925 5.170 -10.559 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.072 2.803 -10.244 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.946 3.815 -13.220 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.580 0.709 -11.431 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.453 1.724 -14.411 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.767 0.167 -13.519 1.00 0.00 H new ATOM 1470 N ASN A 93 -5.990 4.531 -10.835 1.00 0.00 N ATOM 1471 CA ASN A 93 -7.228 3.932 -11.320 1.00 0.00 C ATOM 1472 C ASN A 93 -8.040 3.336 -10.170 1.00 0.00 C ATOM 1473 O ASN A 93 -8.504 2.197 -10.241 1.00 0.00 O ATOM 1474 CB ASN A 93 -6.915 2.851 -12.360 1.00 0.00 C ATOM 1475 CG ASN A 93 -6.392 3.436 -13.658 1.00 0.00 C ATOM 1476 OD1 ASN A 93 -6.592 4.616 -13.946 1.00 0.00 O ATOM 1477 ND2 ASN A 93 -5.717 2.610 -14.448 1.00 0.00 N ATOM 0 H ASN A 93 -5.896 5.526 -11.037 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.826 4.716 -11.785 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.177 2.160 -11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.816 2.272 -12.562 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.340 2.946 -15.334 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.575 1.639 -14.169 1.00 0.00 H new ATOM 1484 N CYS A 94 -8.215 4.122 -9.113 1.00 0.00 N ATOM 1485 CA CYS A 94 -8.976 3.688 -7.948 1.00 0.00 C ATOM 1486 C CYS A 94 -10.412 3.356 -8.337 1.00 0.00 C ATOM 1487 O CYS A 94 -10.993 2.402 -7.830 1.00 0.00 O ATOM 1488 CB CYS A 94 -8.963 4.772 -6.868 1.00 0.00 C ATOM 1489 SG CYS A 94 -7.358 5.000 -6.070 1.00 0.00 S ATOM 0 H CYS A 94 -7.838 5.067 -9.040 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.506 2.788 -7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.273 5.717 -7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.702 4.521 -6.107 1.00 0.00 H new ATOM 0 HG CYS A 94 -6.737 3.860 -6.011 1.00 0.00 H new ATOM 1495 N TYR A 95 -10.965 4.163 -9.237 1.00 0.00 N ATOM 1496 CA TYR A 95 -12.336 4.001 -9.724 1.00 0.00 C ATOM 1497 C TYR A 95 -12.519 2.676 -10.470 1.00 0.00 C ATOM 1498 O TYR A 95 -12.118 2.553 -11.628 1.00 0.00 O ATOM 1499 CB TYR A 95 -12.700 5.166 -10.647 1.00 0.00 C ATOM 1500 CG TYR A 95 -13.906 5.951 -10.183 1.00 0.00 C ATOM 1501 CD1 TYR A 95 -14.068 6.278 -8.844 1.00 0.00 C ATOM 1502 CD2 TYR A 95 -14.879 6.362 -11.084 1.00 0.00 C ATOM 1503 CE1 TYR A 95 -15.168 6.992 -8.413 1.00 0.00 C ATOM 1504 CE2 TYR A 95 -15.981 7.079 -10.662 1.00 0.00 C ATOM 1505 CZ TYR A 95 -16.122 7.390 -9.326 1.00 0.00 C ATOM 1506 OH TYR A 95 -17.220 8.100 -8.902 1.00 0.00 O ATOM 0 H TYR A 95 -10.473 4.954 -9.653 1.00 0.00 H new ATOM 0 HA TYR A 95 -12.998 3.993 -8.858 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.846 5.839 -10.723 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.891 4.780 -11.648 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.321 5.969 -8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -14.772 6.117 -12.130 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -15.281 7.237 -7.367 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -16.729 7.395 -11.375 1.00 0.00 H new ATOM 0 HH TYR A 95 -17.504 8.717 -9.609 1.00 0.00 H new ATOM 1766 N GLN A 111 -18.957 11.627 -11.848 1.00 0.00 N ATOM 1767 CA GLN A 111 -20.406 11.511 -11.768 1.00 0.00 C ATOM 1768 C GLN A 111 -20.846 11.057 -10.379 1.00 0.00 C ATOM 1769 O GLN A 111 -21.844 11.542 -9.845 1.00 0.00 O ATOM 1770 CB GLN A 111 -20.908 10.512 -12.814 1.00 0.00 C ATOM 1771 CG GLN A 111 -20.781 11.017 -14.241 1.00 0.00 C ATOM 1772 CD GLN A 111 -21.157 9.964 -15.268 1.00 0.00 C ATOM 1773 OE1 GLN A 111 -21.162 8.769 -14.972 1.00 0.00 O ATOM 1774 NE2 GLN A 111 -21.475 10.402 -16.480 1.00 0.00 N ATOM 0 HA GLN A 111 -20.834 12.494 -11.962 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -20.349 9.582 -12.715 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -21.953 10.279 -12.611 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -21.419 11.891 -14.371 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -19.756 11.342 -14.418 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -21.458 11.402 -16.682 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -21.737 9.739 -17.209 1.00 0.00 H new ATOM 1783 N LEU A 112 -20.099 10.125 -9.799 1.00 0.00 N ATOM 1784 CA LEU A 112 -20.419 9.607 -8.472 1.00 0.00 C ATOM 1785 C LEU A 112 -19.189 9.589 -7.565 1.00 0.00 C ATOM 1786 O LEU A 112 -19.182 8.923 -6.530 1.00 0.00 O ATOM 1787 CB LEU A 112 -20.999 8.198 -8.585 1.00 0.00 C ATOM 1788 CG LEU A 112 -20.024 7.132 -9.082 1.00 0.00 C ATOM 1789 CD1 LEU A 112 -19.453 6.343 -7.915 1.00 0.00 C ATOM 1790 CD2 LEU A 112 -20.713 6.200 -10.069 1.00 0.00 C ATOM 0 H LEU A 112 -19.269 9.712 -10.225 1.00 0.00 H new ATOM 0 HA LEU A 112 -21.158 10.272 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -21.374 7.897 -7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -21.855 8.228 -9.259 1.00 0.00 H new ATOM 0 HG LEU A 112 -19.201 7.631 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -18.761 5.589 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -18.924 7.019 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -20.264 5.855 -7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -20.005 5.447 -10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -21.555 5.710 -9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -21.074 6.775 -10.922 1.00 0.00 H new ATOM 1802 N VAL A 113 -18.147 10.316 -7.959 1.00 0.00 N ATOM 1803 CA VAL A 113 -16.920 10.368 -7.175 1.00 0.00 C ATOM 1804 C VAL A 113 -17.181 10.947 -5.784 1.00 0.00 C ATOM 1805 O VAL A 113 -16.650 10.456 -4.787 1.00 0.00 O ATOM 1806 CB VAL A 113 -15.832 11.200 -7.896 1.00 0.00 C ATOM 1807 CG1 VAL A 113 -14.555 11.282 -7.069 1.00 0.00 C ATOM 1808 CG2 VAL A 113 -15.546 10.614 -9.269 1.00 0.00 C ATOM 0 H VAL A 113 -18.129 10.874 -8.813 1.00 0.00 H new ATOM 0 HA VAL A 113 -16.560 9.345 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 113 -16.210 12.215 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.812 11.873 -7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.772 11.754 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -14.166 10.278 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -14.779 11.208 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.196 9.587 -9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -16.458 10.625 -9.867 1.00 0.00 H new ATOM 1818 N LYS A 114 -17.994 11.997 -5.727 1.00 0.00 N ATOM 1819 CA LYS A 114 -18.313 12.642 -4.457 1.00 0.00 C ATOM 1820 C LYS A 114 -18.991 11.670 -3.495 1.00 0.00 C ATOM 1821 O LYS A 114 -18.699 11.659 -2.301 1.00 0.00 O ATOM 1822 CB LYS A 114 -19.213 13.860 -4.689 1.00 0.00 C ATOM 1823 CG LYS A 114 -19.586 14.597 -3.412 1.00 0.00 C ATOM 1824 CD LYS A 114 -20.273 15.919 -3.712 1.00 0.00 C ATOM 1825 CE LYS A 114 -21.663 15.704 -4.286 1.00 0.00 C ATOM 1826 NZ LYS A 114 -22.384 16.989 -4.496 1.00 0.00 N ATOM 0 H LYS A 114 -18.442 12.418 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 114 -17.376 12.969 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -18.707 14.552 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -20.125 13.536 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -20.245 13.972 -2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -18.689 14.778 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -20.342 16.510 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -19.671 16.492 -4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -21.585 15.173 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -22.240 15.071 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -23.328 16.797 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -22.481 17.485 -3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -21.847 17.584 -5.159 1.00 0.00 H new ATOM 1840 N ARG A 115 -19.901 10.856 -4.021 1.00 0.00 N ATOM 1841 CA ARG A 115 -20.617 9.883 -3.203 1.00 0.00 C ATOM 1842 C ARG A 115 -19.685 8.779 -2.719 1.00 0.00 C ATOM 1843 O ARG A 115 -19.769 8.336 -1.574 1.00 0.00 O ATOM 1844 CB ARG A 115 -21.778 9.281 -3.994 1.00 0.00 C ATOM 1845 CG ARG A 115 -22.912 10.259 -4.264 1.00 0.00 C ATOM 1846 CD ARG A 115 -24.038 9.606 -5.050 1.00 0.00 C ATOM 1847 NE ARG A 115 -25.132 10.539 -5.317 1.00 0.00 N ATOM 1848 CZ ARG A 115 -25.116 11.446 -6.295 1.00 0.00 C ATOM 1849 NH1 ARG A 115 -24.062 11.549 -7.097 1.00 0.00 N ATOM 1850 NH2 ARG A 115 -26.154 12.251 -6.470 1.00 0.00 N ATOM 0 H ARG A 115 -20.160 10.851 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 115 -21.011 10.402 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -21.401 8.905 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -22.172 8.425 -3.447 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -23.300 10.638 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -22.530 11.116 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -23.648 9.225 -5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -24.419 8.750 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 115 -25.957 10.493 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -23.260 10.933 -6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -24.055 12.244 -7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -26.966 12.177 -5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -26.141 12.944 -7.218 1.00 0.00 H new ATOM 1864 N HIS A 116 -18.803 8.328 -3.608 1.00 0.00 N ATOM 1865 CA HIS A 116 -17.857 7.269 -3.276 1.00 0.00 C ATOM 1866 C HIS A 116 -16.939 7.677 -2.127 1.00 0.00 C ATOM 1867 O HIS A 116 -16.638 6.870 -1.244 1.00 0.00 O ATOM 1868 CB HIS A 116 -17.027 6.904 -4.509 1.00 0.00 C ATOM 1869 CG HIS A 116 -16.031 5.813 -4.264 1.00 0.00 C ATOM 1870 ND1 HIS A 116 -16.390 4.502 -4.039 1.00 0.00 N ATOM 1871 CD2 HIS A 116 -14.677 5.844 -4.208 1.00 0.00 C ATOM 1872 CE1 HIS A 116 -15.303 3.774 -3.854 1.00 0.00 C ATOM 1873 NE2 HIS A 116 -14.251 4.565 -3.953 1.00 0.00 N ATOM 0 H HIS A 116 -18.725 8.680 -4.562 1.00 0.00 H new ATOM 0 HA HIS A 116 -18.428 6.399 -2.953 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -17.699 6.597 -5.310 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -16.501 7.793 -4.858 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -14.050 6.714 -4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -15.279 2.713 -3.656 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -13.279 4.273 -3.856 1.00 0.00 H new ATOM 1882 N ILE A 117 -16.490 8.928 -2.144 1.00 0.00 N ATOM 1883 CA ILE A 117 -15.598 9.434 -1.107 1.00 0.00 C ATOM 1884 C ILE A 117 -16.293 9.483 0.252 1.00 0.00 C ATOM 1885 O ILE A 117 -15.693 9.175 1.281 1.00 0.00 O ATOM 1886 CB ILE A 117 -15.027 10.826 -1.465 1.00 0.00 C ATOM 1887 CG1 ILE A 117 -13.879 11.183 -0.521 1.00 0.00 C ATOM 1888 CG2 ILE A 117 -16.107 11.900 -1.417 1.00 0.00 C ATOM 1889 CD1 ILE A 117 -12.641 10.350 -0.750 1.00 0.00 C ATOM 0 H ILE A 117 -16.729 9.610 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 117 -14.764 8.735 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 117 -14.648 10.782 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -13.629 12.236 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -14.211 11.054 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -15.671 12.866 -1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -16.895 11.656 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -16.528 11.948 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -11.864 10.653 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -12.878 9.297 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -12.287 10.498 -1.770 1.00 0.00 H new ATOM 1901 N GLU A 118 -17.560 9.887 0.247 1.00 0.00 N ATOM 1902 CA GLU A 118 -18.332 9.981 1.480 1.00 0.00 C ATOM 1903 C GLU A 118 -18.429 8.622 2.165 1.00 0.00 C ATOM 1904 O GLU A 118 -18.316 8.522 3.388 1.00 0.00 O ATOM 1905 CB GLU A 118 -19.735 10.516 1.187 1.00 0.00 C ATOM 1906 CG GLU A 118 -19.753 11.980 0.777 1.00 0.00 C ATOM 1907 CD GLU A 118 -21.152 12.490 0.489 1.00 0.00 C ATOM 1908 OE1 GLU A 118 -21.739 13.147 1.374 1.00 0.00 O ATOM 1909 OE2 GLU A 118 -21.659 12.234 -0.624 1.00 0.00 O ATOM 0 H GLU A 118 -18.072 10.153 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 118 -17.818 10.671 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -20.184 9.919 0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -20.357 10.387 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -19.308 12.581 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -19.133 12.112 -0.109 1.00 0.00 H new ATOM 1917 N ARG A 119 -18.619 7.575 1.371 1.00 0.00 N ATOM 1918 CA ARG A 119 -18.725 6.221 1.900 1.00 0.00 C ATOM 1919 C ARG A 119 -17.440 5.829 2.628 1.00 0.00 C ATOM 1920 O ARG A 119 -17.481 5.197 3.684 1.00 0.00 O ATOM 1921 CB ARG A 119 -19.005 5.229 0.771 1.00 0.00 C ATOM 1922 CG ARG A 119 -20.392 5.373 0.167 1.00 0.00 C ATOM 1923 CD ARG A 119 -21.470 4.921 1.137 1.00 0.00 C ATOM 1924 NE ARG A 119 -22.810 5.059 0.569 1.00 0.00 N ATOM 1925 CZ ARG A 119 -23.934 4.815 1.242 1.00 0.00 C ATOM 1926 NH1 ARG A 119 -23.887 4.422 2.509 1.00 0.00 N ATOM 1927 NH2 ARG A 119 -25.107 4.964 0.645 1.00 0.00 N ATOM 0 H ARG A 119 -18.703 7.638 0.356 1.00 0.00 H new ATOM 0 HA ARG A 119 -19.553 6.194 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -18.260 5.364 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.887 4.215 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -20.563 6.413 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -20.454 4.785 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -21.298 3.880 1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -21.402 5.507 2.053 1.00 0.00 H new ATOM 0 HE ARG A 119 -22.889 5.361 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -22.987 4.305 2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -24.751 4.237 3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -25.149 5.265 -0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -25.968 4.778 1.159 1.00 0.00 H new ATOM 1941 N LEU A 120 -16.301 6.217 2.061 1.00 0.00 N ATOM 1942 CA LEU A 120 -15.006 5.910 2.660 1.00 0.00 C ATOM 1943 C LEU A 120 -14.889 6.540 4.042 1.00 0.00 C ATOM 1944 O LEU A 120 -14.366 5.930 4.973 1.00 0.00 O ATOM 1945 CB LEU A 120 -13.875 6.423 1.767 1.00 0.00 C ATOM 1946 CG LEU A 120 -13.853 5.833 0.359 1.00 0.00 C ATOM 1947 CD1 LEU A 120 -12.697 6.410 -0.443 1.00 0.00 C ATOM 1948 CD2 LEU A 120 -13.757 4.315 0.419 1.00 0.00 C ATOM 0 H LEU A 120 -16.249 6.744 1.189 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.926 4.827 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -13.955 7.507 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.923 6.207 2.251 1.00 0.00 H new ATOM 0 HG LEU A 120 -14.784 6.099 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -12.697 5.978 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.808 7.492 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -11.756 6.174 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -13.742 3.911 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -12.842 4.029 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -14.618 3.917 0.956 1.00 0.00 H new ATOM 1960 N LYS A 121 -15.385 7.769 4.160 1.00 0.00 N ATOM 1961 CA LYS A 121 -15.329 8.492 5.431 1.00 0.00 C ATOM 1962 C LYS A 121 -16.116 7.749 6.504 1.00 0.00 C ATOM 1963 O LYS A 121 -15.678 7.661 7.654 1.00 0.00 O ATOM 1964 CB LYS A 121 -15.894 9.904 5.250 1.00 0.00 C ATOM 1965 CG LYS A 121 -15.004 10.811 4.419 1.00 0.00 C ATOM 1966 CD LYS A 121 -15.604 12.202 4.280 1.00 0.00 C ATOM 1967 CE LYS A 121 -14.721 13.111 3.440 1.00 0.00 C ATOM 1968 NZ LYS A 121 -15.347 14.445 3.219 1.00 0.00 N ATOM 0 H LYS A 121 -15.827 8.283 3.398 1.00 0.00 H new ATOM 0 HA LYS A 121 -14.289 8.559 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -16.874 9.837 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -16.044 10.355 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -14.020 10.882 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -14.859 10.375 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -16.591 12.129 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -15.742 12.640 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -13.758 13.239 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -14.525 12.638 2.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -14.713 15.035 2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -16.254 14.325 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.511 14.908 4.136 1.00 0.00 H new ATOM 1982 N LYS A 122 -17.267 7.204 6.130 1.00 0.00 N ATOM 1983 CA LYS A 122 -18.102 6.454 7.057 1.00 0.00 C ATOM 1984 C LYS A 122 -17.366 5.212 7.548 1.00 0.00 C ATOM 1985 O LYS A 122 -17.433 4.854 8.718 1.00 0.00 O ATOM 1986 CB LYS A 122 -19.405 6.064 6.377 1.00 0.00 C ATOM 1987 CG LYS A 122 -20.318 7.246 6.106 1.00 0.00 C ATOM 1988 CD LYS A 122 -21.107 7.048 4.828 1.00 0.00 C ATOM 1989 CE LYS A 122 -22.104 8.173 4.606 1.00 0.00 C ATOM 1990 NZ LYS A 122 -22.818 8.038 3.307 1.00 0.00 N ATOM 0 H LYS A 122 -17.644 7.269 5.185 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.327 7.082 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -19.180 5.564 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -19.931 5.343 7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -21.004 7.378 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -19.725 8.158 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -20.422 6.996 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -21.636 6.096 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -22.830 8.180 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -21.583 9.130 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -23.488 8.825 3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -22.129 8.057 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -23.337 7.137 3.288 1.00 0.00 H new ATOM 2004 N ASN A 123 -16.656 4.576 6.621 1.00 0.00 N ATOM 2005 CA ASN A 123 -15.880 3.376 6.919 1.00 0.00 C ATOM 2006 C ASN A 123 -14.722 3.702 7.859 1.00 0.00 C ATOM 2007 O ASN A 123 -13.699 4.236 7.424 1.00 0.00 O ATOM 2008 CB ASN A 123 -15.349 2.752 5.629 1.00 0.00 C ATOM 2009 CG ASN A 123 -14.746 1.380 5.855 1.00 0.00 C ATOM 2010 OD1 ASN A 123 -13.594 1.130 5.498 1.00 0.00 O ATOM 2011 ND2 ASN A 123 -15.523 0.479 6.439 1.00 0.00 N ATOM 0 H ASN A 123 -16.602 4.875 5.647 1.00 0.00 H new ATOM 0 HA ASN A 123 -16.536 2.659 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -16.161 2.674 4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -14.596 3.409 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -15.172 -0.464 6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -16.472 0.728 6.719 1.00 0.00 H new ATOM 2018 N PRO A 124 -14.854 3.401 9.168 1.00 0.00 N ATOM 2019 CA PRO A 124 -13.804 3.698 10.136 1.00 0.00 C ATOM 2020 C PRO A 124 -12.801 2.556 10.266 1.00 0.00 C ATOM 2021 O PRO A 124 -12.225 2.332 11.329 1.00 0.00 O ATOM 2022 CB PRO A 124 -14.589 3.859 11.428 1.00 0.00 C ATOM 2023 CG PRO A 124 -15.730 2.900 11.291 1.00 0.00 C ATOM 2024 CD PRO A 124 -16.029 2.784 9.815 1.00 0.00 C ATOM 0 HA PRO A 124 -13.209 4.568 9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -13.975 3.625 12.298 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -14.943 4.882 11.553 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -15.470 1.928 11.710 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -16.604 3.259 11.835 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -16.152 1.744 9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -16.950 3.304 9.551 1.00 0.00 H new ATOM 2032 N ASN A 125 -12.575 1.860 9.157 1.00 0.00 N ATOM 2033 CA ASN A 125 -11.620 0.758 9.117 1.00 0.00 C ATOM 2034 C ASN A 125 -10.307 1.232 8.491 1.00 0.00 C ATOM 2035 O ASN A 125 -9.244 0.663 8.739 1.00 0.00 O ATOM 2036 CB ASN A 125 -12.191 -0.414 8.320 1.00 0.00 C ATOM 2037 CG ASN A 125 -11.349 -1.669 8.452 1.00 0.00 C ATOM 2038 OD1 ASN A 125 -10.218 -1.623 8.938 1.00 0.00 O ATOM 2039 ND2 ASN A 125 -11.896 -2.800 8.019 1.00 0.00 N ATOM 0 H ASN A 125 -13.043 2.041 8.269 1.00 0.00 H new ATOM 0 HA ASN A 125 -11.428 0.422 10.136 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -13.205 -0.622 8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -12.260 -0.135 7.269 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -11.376 -3.675 8.083 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -12.836 -2.793 7.623 1.00 0.00 H new ATOM 2046 N SER A 126 -10.404 2.286 7.682 1.00 0.00 N ATOM 2047 CA SER A 126 -9.242 2.862 7.015 1.00 0.00 C ATOM 2048 C SER A 126 -9.185 4.365 7.266 1.00 0.00 C ATOM 2049 O SER A 126 -10.218 5.013 7.435 1.00 0.00 O ATOM 2050 CB SER A 126 -9.292 2.581 5.513 1.00 0.00 C ATOM 2051 OG SER A 126 -9.304 1.187 5.254 1.00 0.00 O ATOM 0 H SER A 126 -11.283 2.760 7.473 1.00 0.00 H new ATOM 0 HA SER A 126 -8.343 2.400 7.424 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.182 3.041 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.430 3.037 5.026 1.00 0.00 H new ATOM 0 HG SER A 126 -9.338 1.034 4.287 1.00 0.00 H new ATOM 2057 N LYS A 127 -7.977 4.916 7.294 1.00 0.00 N ATOM 2058 CA LYS A 127 -7.801 6.345 7.532 1.00 0.00 C ATOM 2059 C LYS A 127 -7.603 7.104 6.223 1.00 0.00 C ATOM 2060 O LYS A 127 -6.658 6.847 5.478 1.00 0.00 O ATOM 2061 CB LYS A 127 -6.608 6.583 8.458 1.00 0.00 C ATOM 2062 CG LYS A 127 -6.848 6.126 9.888 1.00 0.00 C ATOM 2063 CD LYS A 127 -5.634 6.384 10.765 1.00 0.00 C ATOM 2064 CE LYS A 127 -5.873 5.924 12.194 1.00 0.00 C ATOM 2065 NZ LYS A 127 -4.658 6.083 13.041 1.00 0.00 N ATOM 0 H LYS A 127 -7.109 4.399 7.156 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.707 6.719 8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -5.739 6.060 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -6.367 7.646 8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -7.712 6.648 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.085 5.062 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -4.769 5.864 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -5.398 7.448 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.694 6.496 12.627 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -6.179 4.878 12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -4.863 5.758 14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.881 5.517 12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -4.380 7.085 13.065 1.00 0.00 H new ATOM 2079 N PHE A 128 -8.500 8.051 5.956 1.00 0.00 N ATOM 2080 CA PHE A 128 -8.425 8.858 4.744 1.00 0.00 C ATOM 2081 C PHE A 128 -7.371 9.951 4.893 1.00 0.00 C ATOM 2082 O PHE A 128 -7.362 10.685 5.881 1.00 0.00 O ATOM 2083 CB PHE A 128 -9.792 9.483 4.437 1.00 0.00 C ATOM 2084 CG PHE A 128 -9.805 10.335 3.198 1.00 0.00 C ATOM 2085 CD1 PHE A 128 -9.506 11.686 3.272 1.00 0.00 C ATOM 2086 CD2 PHE A 128 -10.103 9.786 1.962 1.00 0.00 C ATOM 2087 CE1 PHE A 128 -9.506 12.474 2.138 1.00 0.00 C ATOM 2088 CE2 PHE A 128 -10.102 10.569 0.823 1.00 0.00 C ATOM 2089 CZ PHE A 128 -9.804 11.915 0.911 1.00 0.00 C ATOM 0 H PHE A 128 -9.287 8.277 6.564 1.00 0.00 H new ATOM 0 HA PHE A 128 -8.139 8.210 3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.529 8.687 4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.103 10.090 5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -9.270 12.128 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -10.339 8.735 1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -9.273 13.526 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -10.334 10.129 -0.135 1.00 0.00 H new ATOM 0 HZ PHE A 128 -9.804 12.529 0.022 1.00 0.00 H new ATOM 2099 N GLU A 129 -6.484 10.052 3.909 1.00 0.00 N ATOM 2100 CA GLU A 129 -5.428 11.059 3.938 1.00 0.00 C ATOM 2101 C GLU A 129 -5.801 12.266 3.084 1.00 0.00 C ATOM 2102 O GLU A 129 -6.075 13.347 3.605 1.00 0.00 O ATOM 2103 CB GLU A 129 -4.111 10.457 3.446 1.00 0.00 C ATOM 2104 CG GLU A 129 -3.509 9.447 4.410 1.00 0.00 C ATOM 2105 CD GLU A 129 -2.204 8.857 3.907 1.00 0.00 C ATOM 2106 OE1 GLU A 129 -1.525 8.165 4.695 1.00 0.00 O ATOM 2107 OE2 GLU A 129 -1.859 9.086 2.728 1.00 0.00 O ATOM 0 H GLU A 129 -6.474 9.452 3.084 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.306 11.393 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -4.279 9.974 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -3.393 11.260 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.337 9.929 5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -4.225 8.642 4.579 1.00 0.00 H new ATOM 2115 N SER A 130 -5.814 12.073 1.768 1.00 0.00 N ATOM 2116 CA SER A 130 -6.157 13.145 0.844 1.00 0.00 C ATOM 2117 C SER A 130 -6.574 12.582 -0.512 1.00 0.00 C ATOM 2118 O SER A 130 -5.989 11.615 -0.999 1.00 0.00 O ATOM 2119 CB SER A 130 -4.973 14.098 0.670 1.00 0.00 C ATOM 2120 OG SER A 130 -3.920 13.479 -0.047 1.00 0.00 O ATOM 0 H SER A 130 -5.591 11.184 1.320 1.00 0.00 H new ATOM 0 HA SER A 130 -6.998 13.696 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 130 -5.298 14.994 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 130 -4.613 14.417 1.648 1.00 0.00 H new ATOM 0 HG SER A 130 -3.177 14.110 -0.146 1.00 0.00 H new ATOM 2126 N TYR A 131 -7.582 13.198 -1.119 1.00 0.00 N ATOM 2127 CA TYR A 131 -8.071 12.761 -2.422 1.00 0.00 C ATOM 2128 C TYR A 131 -7.958 13.886 -3.447 1.00 0.00 C ATOM 2129 O TYR A 131 -8.351 15.021 -3.181 1.00 0.00 O ATOM 2130 CB TYR A 131 -9.524 12.293 -2.315 1.00 0.00 C ATOM 2131 CG TYR A 131 -10.112 11.820 -3.625 1.00 0.00 C ATOM 2132 CD1 TYR A 131 -10.015 10.489 -4.013 1.00 0.00 C ATOM 2133 CD2 TYR A 131 -10.764 12.705 -4.476 1.00 0.00 C ATOM 2134 CE1 TYR A 131 -10.550 10.053 -5.210 1.00 0.00 C ATOM 2135 CE2 TYR A 131 -11.302 12.275 -5.675 1.00 0.00 C ATOM 2136 CZ TYR A 131 -11.193 10.949 -6.037 1.00 0.00 C ATOM 2137 OH TYR A 131 -11.727 10.520 -7.230 1.00 0.00 O ATOM 0 H TYR A 131 -8.076 14.001 -0.730 1.00 0.00 H new ATOM 0 HA TYR A 131 -7.454 11.926 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -9.582 11.483 -1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -10.132 13.111 -1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.513 9.783 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -10.852 13.744 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -10.465 9.015 -5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -11.806 12.975 -6.325 1.00 0.00 H new ATOM 0 HH TYR A 131 -12.001 9.583 -7.147 1.00 0.00 H new ATOM 2147 N ASP A 132 -7.421 13.565 -4.619 1.00 0.00 N ATOM 2148 CA ASP A 132 -7.265 14.550 -5.682 1.00 0.00 C ATOM 2149 C ASP A 132 -8.227 14.264 -6.828 1.00 0.00 C ATOM 2150 O ASP A 132 -8.146 13.218 -7.470 1.00 0.00 O ATOM 2151 CB ASP A 132 -5.826 14.556 -6.195 1.00 0.00 C ATOM 2152 CG ASP A 132 -4.850 15.123 -5.183 1.00 0.00 C ATOM 2153 OD1 ASP A 132 -5.297 15.847 -4.268 1.00 0.00 O ATOM 2154 OD2 ASP A 132 -3.639 14.841 -5.303 1.00 0.00 O ATOM 0 H ASP A 132 -7.087 12.631 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.498 15.533 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -5.530 13.538 -6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -5.774 15.142 -7.113 1.00 0.00 H new ATOM 2160 N ALA A 133 -9.136 15.199 -7.080 1.00 0.00 N ATOM 2161 CA ALA A 133 -10.120 15.044 -8.146 1.00 0.00 C ATOM 2162 C ALA A 133 -9.473 15.139 -9.525 1.00 0.00 C ATOM 2163 O ALA A 133 -9.851 14.417 -10.449 1.00 0.00 O ATOM 2164 CB ALA A 133 -11.210 16.097 -8.009 1.00 0.00 C ATOM 0 H ALA A 133 -9.212 16.073 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 133 -10.561 14.052 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -11.939 15.972 -8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -11.706 15.984 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -10.766 17.091 -8.074 1.00 0.00 H new ATOM 2170 N ASP A 134 -8.508 16.042 -9.661 1.00 0.00 N ATOM 2171 CA ASP A 134 -7.825 16.251 -10.935 1.00 0.00 C ATOM 2172 C ASP A 134 -7.095 14.990 -11.394 1.00 0.00 C ATOM 2173 O ASP A 134 -7.098 14.664 -12.581 1.00 0.00 O ATOM 2174 CB ASP A 134 -6.828 17.406 -10.812 1.00 0.00 C ATOM 2175 CG ASP A 134 -7.516 18.752 -10.688 1.00 0.00 C ATOM 2176 OD1 ASP A 134 -6.867 19.708 -10.211 1.00 0.00 O ATOM 2177 OD2 ASP A 134 -8.703 18.850 -11.063 1.00 0.00 O ATOM 0 H ASP A 134 -8.180 16.642 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 134 -8.581 16.496 -11.681 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -6.193 17.244 -9.941 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -6.175 17.414 -11.685 1.00 0.00 H new ATOM 2183 N SER A 135 -6.465 14.287 -10.458 1.00 0.00 N ATOM 2184 CA SER A 135 -5.731 13.069 -10.792 1.00 0.00 C ATOM 2185 C SER A 135 -6.541 11.815 -10.475 1.00 0.00 C ATOM 2186 O SER A 135 -6.234 10.728 -10.961 1.00 0.00 O ATOM 2187 CB SER A 135 -4.399 13.031 -10.039 1.00 0.00 C ATOM 2188 OG SER A 135 -3.502 14.008 -10.537 1.00 0.00 O ATOM 0 H SER A 135 -6.447 14.536 -9.469 1.00 0.00 H new ATOM 0 HA SER A 135 -5.543 13.084 -11.865 1.00 0.00 H new ATOM 0 HB2 SER A 135 -4.574 13.201 -8.977 1.00 0.00 H new ATOM 0 HB3 SER A 135 -3.952 12.041 -10.134 1.00 0.00 H new ATOM 0 HG SER A 135 -2.660 13.964 -10.038 1.00 0.00 H new ATOM 2194 N GLY A 136 -7.577 11.971 -9.656 1.00 0.00 N ATOM 2195 CA GLY A 136 -8.410 10.838 -9.291 1.00 0.00 C ATOM 2196 C GLY A 136 -7.695 9.857 -8.377 1.00 0.00 C ATOM 2197 O GLY A 136 -8.261 8.836 -7.987 1.00 0.00 O ATOM 0 H GLY A 136 -7.854 12.860 -9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -9.311 11.199 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.729 10.320 -10.195 1.00 0.00 H new ATOM 2201 N THR A 137 -6.445 10.165 -8.039 1.00 0.00 N ATOM 2202 CA THR A 137 -5.647 9.305 -7.170 1.00 0.00 C ATOM 2203 C THR A 137 -6.157 9.343 -5.734 1.00 0.00 C ATOM 2204 O THR A 137 -6.414 10.414 -5.183 1.00 0.00 O ATOM 2205 CB THR A 137 -4.178 9.727 -7.214 1.00 0.00 C ATOM 2206 OG1 THR A 137 -3.730 9.851 -8.551 1.00 0.00 O ATOM 2207 CG2 THR A 137 -3.256 8.754 -6.510 1.00 0.00 C ATOM 0 H THR A 137 -5.962 11.006 -8.355 1.00 0.00 H new ATOM 0 HA THR A 137 -5.738 8.282 -7.536 1.00 0.00 H new ATOM 0 HB THR A 137 -4.137 10.684 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.789 10.123 -8.557 1.00 0.00 H new ATOM 0 HG21 THR A 137 -2.229 9.112 -6.578 1.00 0.00 H new ATOM 0 HG22 THR A 137 -3.544 8.674 -5.462 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.331 7.775 -6.983 1.00 0.00 H new ATOM 2215 N TYR A 138 -6.300 8.166 -5.132 1.00 0.00 N ATOM 2216 CA TYR A 138 -6.775 8.062 -3.756 1.00 0.00 C ATOM 2217 C TYR A 138 -5.695 7.445 -2.865 1.00 0.00 C ATOM 2218 O TYR A 138 -5.257 6.319 -3.092 1.00 0.00 O ATOM 2219 CB TYR A 138 -8.061 7.219 -3.716 1.00 0.00 C ATOM 2220 CG TYR A 138 -8.530 6.848 -2.323 1.00 0.00 C ATOM 2221 CD1 TYR A 138 -8.431 7.748 -1.268 1.00 0.00 C ATOM 2222 CD2 TYR A 138 -9.068 5.593 -2.065 1.00 0.00 C ATOM 2223 CE1 TYR A 138 -8.856 7.408 0.002 1.00 0.00 C ATOM 2224 CE2 TYR A 138 -9.495 5.244 -0.798 1.00 0.00 C ATOM 2225 CZ TYR A 138 -9.387 6.155 0.232 1.00 0.00 C ATOM 2226 OH TYR A 138 -9.811 5.813 1.496 1.00 0.00 O ATOM 0 H TYR A 138 -6.094 7.271 -5.575 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.996 9.060 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.856 7.770 -4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.898 6.304 -4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.015 8.729 -1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.154 4.877 -2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -8.773 8.119 0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.911 4.264 -0.615 1.00 0.00 H new ATOM 0 HH TYR A 138 -9.156 5.212 1.909 1.00 0.00 H new ATOM 2236 N VAL A 139 -5.271 8.198 -1.852 1.00 0.00 N ATOM 2237 CA VAL A 139 -4.244 7.731 -0.928 1.00 0.00 C ATOM 2238 C VAL A 139 -4.776 7.685 0.506 1.00 0.00 C ATOM 2239 O VAL A 139 -5.208 8.701 1.049 1.00 0.00 O ATOM 2240 CB VAL A 139 -2.994 8.634 -0.983 1.00 0.00 C ATOM 2241 CG1 VAL A 139 -1.894 8.102 -0.074 1.00 0.00 C ATOM 2242 CG2 VAL A 139 -2.494 8.763 -2.414 1.00 0.00 C ATOM 0 H VAL A 139 -5.624 9.134 -1.652 1.00 0.00 H new ATOM 0 HA VAL A 139 -3.966 6.723 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 139 -3.275 9.624 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -1.025 8.757 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -2.255 8.069 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -1.613 7.098 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 139 -1.612 9.403 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -2.236 7.777 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -3.276 9.202 -3.034 1.00 0.00 H new ATOM 2252 N PHE A 140 -4.734 6.504 1.115 1.00 0.00 N ATOM 2253 CA PHE A 140 -5.202 6.329 2.486 1.00 0.00 C ATOM 2254 C PHE A 140 -4.280 5.393 3.259 1.00 0.00 C ATOM 2255 O PHE A 140 -3.609 4.543 2.670 1.00 0.00 O ATOM 2256 CB PHE A 140 -6.634 5.793 2.491 1.00 0.00 C ATOM 2257 CG PHE A 140 -6.786 4.467 1.803 1.00 0.00 C ATOM 2258 CD1 PHE A 140 -6.902 4.400 0.424 1.00 0.00 C ATOM 2259 CD2 PHE A 140 -6.817 3.291 2.533 1.00 0.00 C ATOM 2260 CE1 PHE A 140 -7.046 3.184 -0.214 1.00 0.00 C ATOM 2261 CE2 PHE A 140 -6.962 2.071 1.900 1.00 0.00 C ATOM 2262 CZ PHE A 140 -7.077 2.019 0.524 1.00 0.00 C ATOM 0 H PHE A 140 -4.380 5.652 0.680 1.00 0.00 H new ATOM 0 HA PHE A 140 -5.189 7.301 2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 140 -6.973 5.698 3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 140 -7.286 6.520 2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 140 -6.880 5.309 -0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -6.727 3.327 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 140 -7.134 3.145 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -6.985 1.160 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 140 -7.191 1.067 0.027 1.00 0.00 H new ATOM 2272 N ILE A 141 -4.247 5.551 4.579 1.00 0.00 N ATOM 2273 CA ILE A 141 -3.398 4.720 5.428 1.00 0.00 C ATOM 2274 C ILE A 141 -4.230 3.950 6.452 1.00 0.00 C ATOM 2275 O ILE A 141 -4.948 4.537 7.258 1.00 0.00 O ATOM 2276 CB ILE A 141 -2.339 5.574 6.160 1.00 0.00 C ATOM 2277 CG1 ILE A 141 -1.379 4.680 6.952 1.00 0.00 C ATOM 2278 CG2 ILE A 141 -3.006 6.590 7.079 1.00 0.00 C ATOM 2279 CD1 ILE A 141 -0.176 5.421 7.495 1.00 0.00 C ATOM 0 H ILE A 141 -4.797 6.246 5.084 1.00 0.00 H new ATOM 0 HA ILE A 141 -2.890 4.007 4.779 1.00 0.00 H new ATOM 0 HB ILE A 141 -1.763 6.118 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -1.920 4.224 7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -1.037 3.869 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -2.242 7.180 7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -3.644 7.249 6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -3.610 6.068 7.821 1.00 0.00 H new ATOM 0 HD11 ILE A 141 0.461 4.728 8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 141 0.388 5.854 6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -0.509 6.215 8.163 1.00 0.00 H new ATOM 2291 N VAL A 142 -4.115 2.627 6.412 1.00 0.00 N ATOM 2292 CA VAL A 142 -4.844 1.757 7.331 1.00 0.00 C ATOM 2293 C VAL A 142 -3.959 1.340 8.510 1.00 0.00 C ATOM 2294 O VAL A 142 -3.530 0.188 8.590 1.00 0.00 O ATOM 2295 CB VAL A 142 -5.399 0.508 6.626 1.00 0.00 C ATOM 2296 CG1 VAL A 142 -6.316 -0.276 7.556 1.00 0.00 C ATOM 2297 CG2 VAL A 142 -6.131 0.898 5.348 1.00 0.00 C ATOM 0 H VAL A 142 -3.520 2.130 5.749 1.00 0.00 H new ATOM 0 HA VAL A 142 -5.689 2.334 7.707 1.00 0.00 H new ATOM 0 HB VAL A 142 -4.561 -0.135 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -6.697 -1.155 7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -5.758 -0.590 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -7.151 0.355 7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -6.517 0.002 4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -6.959 1.564 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -5.442 1.407 4.675 1.00 0.00 H new ATOM 2307 N ASN A 143 -3.679 2.266 9.413 1.00 0.00 N ATOM 2308 CA ASN A 143 -2.834 1.969 10.562 1.00 0.00 C ATOM 2309 C ASN A 143 -3.670 1.477 11.740 1.00 0.00 C ATOM 2310 O ASN A 143 -4.385 2.254 12.371 1.00 0.00 O ATOM 2311 CB ASN A 143 -2.049 3.212 10.972 1.00 0.00 C ATOM 2312 CG ASN A 143 -1.008 2.915 12.037 1.00 0.00 C ATOM 2313 OD1 ASN A 143 -0.687 1.755 12.297 1.00 0.00 O ATOM 2314 ND2 ASN A 143 -0.475 3.960 12.660 1.00 0.00 N ATOM 0 H ASN A 143 -4.022 3.226 9.375 1.00 0.00 H new ATOM 0 HA ASN A 143 -2.138 1.180 10.276 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -1.558 3.633 10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -2.740 3.968 11.344 1.00 0.00 H new ATOM 0 HD21 ASN A 143 0.229 3.817 13.384 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -0.769 4.905 12.414 1.00 0.00 H new ATOM 2321 N HIS A 144 -3.572 0.183 12.027 1.00 0.00 N ATOM 2322 CA HIS A 144 -4.313 -0.413 13.133 1.00 0.00 C ATOM 2323 C HIS A 144 -3.445 -0.513 14.382 1.00 0.00 C ATOM 2324 O HIS A 144 -3.946 -0.457 15.505 1.00 0.00 O ATOM 2325 CB HIS A 144 -4.822 -1.804 12.741 1.00 0.00 C ATOM 2326 CG HIS A 144 -5.882 -1.780 11.687 1.00 0.00 C ATOM 2327 ND1 HIS A 144 -5.830 -2.096 10.371 1.00 0.00 N flip ATOM 2328 CD2 HIS A 144 -7.183 -1.395 11.936 1.00 0.00 C flip ATOM 2329 CE1 HIS A 144 -7.087 -1.899 9.857 1.00 0.00 C flip ATOM 2330 NE2 HIS A 144 -7.885 -1.477 10.820 1.00 0.00 N flip ATOM 0 H HIS A 144 -2.987 -0.473 11.509 1.00 0.00 H new ATOM 0 HA HIS A 144 -5.163 0.232 13.355 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -3.983 -2.402 12.386 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.215 -2.301 13.628 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -7.568 -1.076 12.894 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -7.377 -2.063 8.830 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -8.875 -1.252 10.720 1.00 0.00 H new