USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 855 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 69 LYS NZ :NH3+ -113:sc= 0.418 (180deg=-0.346) USER MOD Set 1.2: A 96 HIS : no HD1:sc= -0.386 K(o=0.032,f=-2.3) USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc=-0.00794 USER MOD Set 2.2: A 83 ASN :FLIP amide:sc= -0.705 F(o=-3.7!,f=-0.71) USER MOD Set 3.1: A 73 TYR OH : rot -11:sc= 0.325 USER MOD Set 3.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 49 THR OG1 : rot 180:sc= 0.0451 USER MOD Set 4.2: A 53 SER OG : rot 176:sc= 0.00943 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -36:sc= 0.183 USER MOD Single : A 20 ASN : amide:sc= 0.41 K(o=0.41,f=-2.5!) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.318) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -1.21 USER MOD Single : A 46 ASN : amide:sc= -1.02 X(o=-1,f=-0.7) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 111:sc= -0.404 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 65 SER OG : rot 46:sc= -0.707 USER MOD Single : A 66 SER OG : rot 180:sc=-0.00843 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.397) USER MOD Single : A 75 SER OG : rot 56:sc= 0.93 USER MOD Single : A 77 TYR OH : rot -134:sc= 0.183 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.136 F(o=-0.97,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -131:sc= -0.0647 (180deg=-3.83!) USER MOD Single : A 95 TYR OH : rot 0:sc= -0.787 USER MOD Single : A 100 GLN : amide:sc= -2.25! C(o=-2.2!,f=-3.3!) USER MOD Single : A 103 TYR OH : rot 110:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 176:sc= 0.284 (180deg=0.264) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 75:sc= -1.57 USER MOD Single : A 117 THR OG1 : rot -20:sc= 0.149 USER MOD Single : A 118 THR OG1 : rot 170:sc= 0.694 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -27:sc= 0.0183 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 8.968 -24.730 -6.737 1.00 0.00 N ATOM 67 CA ASP A 8 9.138 -23.902 -5.548 1.00 0.00 C ATOM 68 C ASP A 8 10.101 -22.751 -5.821 1.00 0.00 C ATOM 69 O ASP A 8 9.854 -21.614 -5.420 1.00 0.00 O ATOM 70 CB ASP A 8 9.651 -24.747 -4.381 1.00 0.00 C ATOM 71 CG ASP A 8 8.613 -25.729 -3.877 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.444 -25.323 -3.709 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.969 -26.905 -3.652 1.00 0.00 O ATOM 0 HA ASP A 8 8.166 -23.484 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.541 -25.293 -4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.952 -24.090 -3.565 1.00 0.00 H new ATOM 78 N GLU A 9 11.200 -23.054 -6.505 1.00 0.00 N ATOM 79 CA GLU A 9 12.201 -22.045 -6.829 1.00 0.00 C ATOM 80 C GLU A 9 11.538 -20.721 -7.201 1.00 0.00 C ATOM 81 O GLU A 9 11.970 -19.656 -6.763 1.00 0.00 O ATOM 82 CB GLU A 9 13.087 -22.525 -7.981 1.00 0.00 C ATOM 83 CG GLU A 9 13.899 -23.765 -7.648 1.00 0.00 C ATOM 84 CD GLU A 9 14.234 -24.589 -8.876 1.00 0.00 C ATOM 85 OE1 GLU A 9 15.255 -24.290 -9.530 1.00 0.00 O ATOM 86 OE2 GLU A 9 13.477 -25.533 -9.183 1.00 0.00 O ATOM 0 H GLU A 9 11.419 -23.990 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 9 12.820 -21.887 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.460 -22.733 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.766 -21.721 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.823 -23.468 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.342 -24.381 -6.942 1.00 0.00 H new ATOM 93 N GLU A 10 10.487 -20.799 -8.011 1.00 0.00 N ATOM 94 CA GLU A 10 9.765 -19.608 -8.442 1.00 0.00 C ATOM 95 C GLU A 10 9.148 -18.884 -7.249 1.00 0.00 C ATOM 96 O GLU A 10 9.270 -17.666 -7.115 1.00 0.00 O ATOM 97 CB GLU A 10 8.674 -19.981 -9.447 1.00 0.00 C ATOM 98 CG GLU A 10 9.185 -20.143 -10.868 1.00 0.00 C ATOM 99 CD GLU A 10 8.082 -20.024 -11.902 1.00 0.00 C ATOM 100 OE1 GLU A 10 7.193 -19.165 -11.724 1.00 0.00 O ATOM 101 OE2 GLU A 10 8.107 -20.790 -12.888 1.00 0.00 O ATOM 0 H GLU A 10 10.117 -21.674 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 10 10.477 -18.937 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.204 -20.912 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.901 -19.213 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.945 -19.387 -11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.668 -21.115 -10.968 1.00 0.00 H new ATOM 108 N THR A 11 8.483 -19.643 -6.383 1.00 0.00 N ATOM 109 CA THR A 11 7.844 -19.076 -5.202 1.00 0.00 C ATOM 110 C THR A 11 8.813 -18.195 -4.423 1.00 0.00 C ATOM 111 O THR A 11 8.488 -17.064 -4.062 1.00 0.00 O ATOM 112 CB THR A 11 7.307 -20.178 -4.270 1.00 0.00 C ATOM 113 OG1 THR A 11 6.407 -21.030 -4.986 1.00 0.00 O ATOM 114 CG2 THR A 11 6.594 -19.573 -3.070 1.00 0.00 C ATOM 0 H THR A 11 8.373 -20.653 -6.478 1.00 0.00 H new ATOM 0 HA THR A 11 7.009 -18.470 -5.554 1.00 0.00 H new ATOM 0 HB THR A 11 8.154 -20.764 -3.912 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.072 -21.729 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.224 -20.371 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.290 -18.949 -2.510 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.757 -18.965 -3.413 1.00 0.00 H new ATOM 122 N LYS A 12 10.007 -18.719 -4.166 1.00 0.00 N ATOM 123 CA LYS A 12 11.026 -17.979 -3.431 1.00 0.00 C ATOM 124 C LYS A 12 11.200 -16.576 -4.004 1.00 0.00 C ATOM 125 O LYS A 12 11.035 -15.583 -3.297 1.00 0.00 O ATOM 126 CB LYS A 12 12.360 -18.728 -3.475 1.00 0.00 C ATOM 127 CG LYS A 12 12.396 -19.959 -2.586 1.00 0.00 C ATOM 128 CD LYS A 12 13.816 -20.460 -2.384 1.00 0.00 C ATOM 129 CE LYS A 12 14.520 -19.706 -1.266 1.00 0.00 C ATOM 130 NZ LYS A 12 15.552 -20.545 -0.596 1.00 0.00 N ATOM 0 H LYS A 12 10.293 -19.654 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 12 10.699 -17.891 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.566 -19.026 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.158 -18.049 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.951 -19.724 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.791 -20.748 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.797 -21.525 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.378 -20.347 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.988 -18.809 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.785 -19.378 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.009 -19.996 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.102 -21.388 -0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.267 -20.838 -1.292 1.00 0.00 H new ATOM 144 N ALA A 13 11.532 -16.503 -5.289 1.00 0.00 N ATOM 145 CA ALA A 13 11.724 -15.222 -5.957 1.00 0.00 C ATOM 146 C ALA A 13 10.536 -14.296 -5.719 1.00 0.00 C ATOM 147 O ALA A 13 10.692 -13.078 -5.636 1.00 0.00 O ATOM 148 CB ALA A 13 11.943 -15.432 -7.448 1.00 0.00 C ATOM 0 H ALA A 13 11.674 -17.316 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 13 12.610 -14.748 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.085 -14.467 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.828 -16.050 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.073 -15.930 -7.877 1.00 0.00 H new ATOM 154 N PHE A 14 9.347 -14.881 -5.613 1.00 0.00 N ATOM 155 CA PHE A 14 8.132 -14.108 -5.387 1.00 0.00 C ATOM 156 C PHE A 14 8.063 -13.611 -3.946 1.00 0.00 C ATOM 157 O PHE A 14 7.625 -12.491 -3.685 1.00 0.00 O ATOM 158 CB PHE A 14 6.897 -14.953 -5.706 1.00 0.00 C ATOM 159 CG PHE A 14 6.441 -14.834 -7.132 1.00 0.00 C ATOM 160 CD1 PHE A 14 6.226 -13.590 -7.702 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.227 -15.966 -7.902 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.806 -13.477 -9.014 1.00 0.00 C ATOM 163 CE2 PHE A 14 5.807 -15.859 -9.215 1.00 0.00 C ATOM 164 CZ PHE A 14 5.597 -14.613 -9.771 1.00 0.00 C ATOM 0 H PHE A 14 9.200 -15.888 -5.680 1.00 0.00 H new ATOM 0 HA PHE A 14 8.154 -13.243 -6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.116 -15.998 -5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.082 -14.655 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.388 -12.698 -7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.390 -16.943 -7.472 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.641 -12.501 -9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.643 -16.749 -9.805 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.270 -14.527 -10.797 1.00 0.00 H new ATOM 174 N GLU A 15 8.500 -14.453 -3.014 1.00 0.00 N ATOM 175 CA GLU A 15 8.486 -14.100 -1.600 1.00 0.00 C ATOM 176 C GLU A 15 9.351 -12.870 -1.338 1.00 0.00 C ATOM 177 O GLU A 15 9.067 -12.079 -0.439 1.00 0.00 O ATOM 178 CB GLU A 15 8.982 -15.274 -0.753 1.00 0.00 C ATOM 179 CG GLU A 15 8.071 -16.490 -0.806 1.00 0.00 C ATOM 180 CD GLU A 15 8.295 -17.438 0.356 1.00 0.00 C ATOM 181 OE1 GLU A 15 8.607 -16.955 1.464 1.00 0.00 O ATOM 182 OE2 GLU A 15 8.159 -18.663 0.156 1.00 0.00 O ATOM 0 H GLU A 15 8.868 -15.383 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 15 7.458 -13.868 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.977 -15.561 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.080 -14.948 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.032 -16.161 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.237 -17.023 -1.742 1.00 0.00 H new ATOM 189 N ALA A 16 10.407 -12.716 -2.130 1.00 0.00 N ATOM 190 CA ALA A 16 11.312 -11.583 -1.985 1.00 0.00 C ATOM 191 C ALA A 16 10.902 -10.433 -2.900 1.00 0.00 C ATOM 192 O ALA A 16 10.867 -9.275 -2.481 1.00 0.00 O ATOM 193 CB ALA A 16 12.742 -12.009 -2.279 1.00 0.00 C ATOM 0 H ALA A 16 10.657 -13.362 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 16 11.254 -11.232 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.407 -11.153 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.039 -12.793 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.806 -12.387 -3.299 1.00 0.00 H new ATOM 199 N LEU A 17 10.593 -10.759 -4.150 1.00 0.00 N ATOM 200 CA LEU A 17 10.186 -9.753 -5.125 1.00 0.00 C ATOM 201 C LEU A 17 8.914 -9.042 -4.675 1.00 0.00 C ATOM 202 O LEU A 17 8.876 -7.815 -4.579 1.00 0.00 O ATOM 203 CB LEU A 17 9.966 -10.400 -6.493 1.00 0.00 C ATOM 204 CG LEU A 17 9.096 -9.614 -7.475 1.00 0.00 C ATOM 205 CD1 LEU A 17 9.906 -8.515 -8.144 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.493 -10.545 -8.517 1.00 0.00 C ATOM 0 H LEU A 17 10.616 -11.712 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 17 10.984 -9.015 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.939 -10.567 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.513 -11.380 -6.341 1.00 0.00 H new ATOM 0 HG LEU A 17 8.282 -9.149 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.270 -7.966 -8.839 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.288 -7.832 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.741 -8.958 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.877 -9.968 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.292 -11.039 -9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.877 -11.295 -8.021 1.00 0.00 H new ATOM 218 N LEU A 18 7.874 -9.821 -4.397 1.00 0.00 N ATOM 219 CA LEU A 18 6.599 -9.267 -3.955 1.00 0.00 C ATOM 220 C LEU A 18 6.786 -8.390 -2.720 1.00 0.00 C ATOM 221 O LEU A 18 6.025 -7.450 -2.494 1.00 0.00 O ATOM 222 CB LEU A 18 5.610 -10.392 -3.649 1.00 0.00 C ATOM 223 CG LEU A 18 5.235 -11.295 -4.826 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.469 -12.515 -4.340 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.417 -10.523 -5.851 1.00 0.00 C ATOM 0 H LEU A 18 7.889 -10.838 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 18 6.200 -8.650 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.031 -11.014 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.697 -9.948 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 18 6.153 -11.635 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.211 -13.145 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.089 -13.081 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.557 -12.195 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.159 -11.181 -6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.504 -10.153 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.001 -9.681 -6.223 1.00 0.00 H new ATOM 237 N SER A 19 7.806 -8.703 -1.927 1.00 0.00 N ATOM 238 CA SER A 19 8.092 -7.945 -0.715 1.00 0.00 C ATOM 239 C SER A 19 9.226 -6.952 -0.951 1.00 0.00 C ATOM 240 O SER A 19 9.933 -6.568 -0.020 1.00 0.00 O ATOM 241 CB SER A 19 8.458 -8.891 0.430 1.00 0.00 C ATOM 242 OG SER A 19 8.835 -8.168 1.589 1.00 0.00 O ATOM 0 H SER A 19 8.448 -9.476 -2.102 1.00 0.00 H new ATOM 0 HA SER A 19 7.195 -7.389 -0.444 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.609 -9.535 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.276 -9.541 0.121 1.00 0.00 H new ATOM 0 HG SER A 19 9.320 -7.358 1.326 1.00 0.00 H new ATOM 248 N ASN A 20 9.393 -6.540 -2.203 1.00 0.00 N ATOM 249 CA ASN A 20 10.441 -5.592 -2.563 1.00 0.00 C ATOM 250 C ASN A 20 9.846 -4.333 -3.186 1.00 0.00 C ATOM 251 O ASN A 20 10.471 -3.690 -4.030 1.00 0.00 O ATOM 252 CB ASN A 20 11.429 -6.238 -3.537 1.00 0.00 C ATOM 253 CG ASN A 20 12.831 -5.678 -3.394 1.00 0.00 C ATOM 254 OD1 ASN A 20 13.156 -5.035 -2.396 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.670 -5.920 -4.395 1.00 0.00 N ATOM 0 H ASN A 20 8.816 -6.848 -2.986 1.00 0.00 H new ATOM 0 HA ASN A 20 10.970 -5.310 -1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.451 -7.314 -3.367 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.081 -6.084 -4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.627 -5.568 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.358 -6.458 -5.203 1.00 0.00 H new ATOM 262 N ILE A 21 8.635 -3.986 -2.763 1.00 0.00 N ATOM 263 CA ILE A 21 7.956 -2.803 -3.277 1.00 0.00 C ATOM 264 C ILE A 21 8.224 -1.589 -2.394 1.00 0.00 C ATOM 265 O ILE A 21 8.920 -1.683 -1.384 1.00 0.00 O ATOM 266 CB ILE A 21 6.436 -3.026 -3.377 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.781 -2.851 -2.006 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.139 -4.408 -3.940 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.216 -3.886 -0.992 1.00 0.00 C ATOM 0 H ILE A 21 8.104 -4.507 -2.066 1.00 0.00 H new ATOM 0 HA ILE A 21 8.354 -2.618 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 21 6.019 -2.282 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.017 -1.858 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.698 -2.899 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.060 -4.550 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.577 -4.498 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.567 -5.167 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.712 -3.700 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.955 -4.881 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.295 -3.823 -0.848 1.00 0.00 H new ATOM 281 N VAL A 22 7.664 -0.447 -2.783 1.00 0.00 N ATOM 282 CA VAL A 22 7.839 0.787 -2.025 1.00 0.00 C ATOM 283 C VAL A 22 6.534 1.216 -1.366 1.00 0.00 C ATOM 284 O VAL A 22 5.458 1.095 -1.953 1.00 0.00 O ATOM 285 CB VAL A 22 8.348 1.929 -2.924 1.00 0.00 C ATOM 286 CG1 VAL A 22 8.552 3.198 -2.111 1.00 0.00 C ATOM 287 CG2 VAL A 22 9.636 1.522 -3.625 1.00 0.00 C ATOM 0 H VAL A 22 7.086 -0.351 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 22 8.582 0.583 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 22 7.595 2.131 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.912 3.994 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.606 3.498 -1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.285 3.013 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.981 2.341 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.398 1.291 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.452 0.642 -4.241 1.00 0.00 H new ATOM 297 N LYS A 23 6.634 1.720 -0.140 1.00 0.00 N ATOM 298 CA LYS A 23 5.462 2.171 0.601 1.00 0.00 C ATOM 299 C LYS A 23 4.646 3.163 -0.222 1.00 0.00 C ATOM 300 O LYS A 23 5.188 4.006 -0.937 1.00 0.00 O ATOM 301 CB LYS A 23 5.886 2.816 1.922 1.00 0.00 C ATOM 302 CG LYS A 23 6.539 4.177 1.753 1.00 0.00 C ATOM 303 CD LYS A 23 6.620 4.924 3.074 1.00 0.00 C ATOM 304 CE LYS A 23 6.924 6.399 2.861 1.00 0.00 C ATOM 305 NZ LYS A 23 6.477 7.229 4.015 1.00 0.00 N ATOM 0 H LYS A 23 7.516 1.826 0.361 1.00 0.00 H new ATOM 0 HA LYS A 23 4.839 1.301 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.011 2.920 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.580 2.151 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.541 4.052 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.971 4.767 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.677 4.819 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.394 4.478 3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.996 6.531 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.431 6.744 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.464 8.231 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.521 6.937 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.133 7.099 4.811 1.00 0.00 H new ATOM 319 N PRO A 24 3.313 3.062 -0.119 1.00 0.00 N ATOM 320 CA PRO A 24 2.394 3.944 -0.846 1.00 0.00 C ATOM 321 C PRO A 24 2.425 5.375 -0.318 1.00 0.00 C ATOM 322 O PRO A 24 2.493 5.600 0.890 1.00 0.00 O ATOM 323 CB PRO A 24 1.023 3.312 -0.595 1.00 0.00 C ATOM 324 CG PRO A 24 1.177 2.569 0.687 1.00 0.00 C ATOM 325 CD PRO A 24 2.599 2.081 0.714 1.00 0.00 C ATOM 0 HA PRO A 24 2.655 4.024 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.245 4.071 -0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.740 2.644 -1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.970 3.215 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.477 1.735 0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.995 2.053 1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.685 1.072 0.310 1.00 0.00 H new ATOM 333 N VAL A 25 2.375 6.339 -1.232 1.00 0.00 N ATOM 334 CA VAL A 25 2.395 7.748 -0.859 1.00 0.00 C ATOM 335 C VAL A 25 0.995 8.348 -0.901 1.00 0.00 C ATOM 336 O VAL A 25 0.358 8.392 -1.953 1.00 0.00 O ATOM 337 CB VAL A 25 3.318 8.561 -1.786 1.00 0.00 C ATOM 338 CG1 VAL A 25 3.214 10.046 -1.475 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.756 8.081 -1.661 1.00 0.00 C ATOM 0 H VAL A 25 2.320 6.169 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 25 2.779 7.800 0.160 1.00 0.00 H new ATOM 0 HB VAL A 25 2.996 8.407 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.873 10.604 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.186 10.377 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.508 10.223 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.394 8.667 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.092 8.203 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.814 7.029 -1.939 1.00 0.00 H new ATOM 349 N ALA A 26 0.520 8.810 0.252 1.00 0.00 N ATOM 350 CA ALA A 26 -0.805 9.410 0.347 1.00 0.00 C ATOM 351 C ALA A 26 -0.790 10.852 -0.148 1.00 0.00 C ATOM 352 O ALA A 26 -0.061 11.692 0.380 1.00 0.00 O ATOM 353 CB ALA A 26 -1.312 9.346 1.780 1.00 0.00 C ATOM 0 H ALA A 26 1.033 8.780 1.133 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.482 8.841 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.302 9.798 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.369 8.305 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.628 9.889 2.432 1.00 0.00 H new ATOM 359 N SER A 27 -1.600 11.133 -1.164 1.00 0.00 N ATOM 360 CA SER A 27 -1.677 12.474 -1.732 1.00 0.00 C ATOM 361 C SER A 27 -3.128 12.875 -1.982 1.00 0.00 C ATOM 362 O SER A 27 -4.044 12.071 -1.814 1.00 0.00 O ATOM 363 CB SER A 27 -0.885 12.542 -3.039 1.00 0.00 C ATOM 364 OG SER A 27 0.444 12.087 -2.854 1.00 0.00 O ATOM 0 H SER A 27 -2.212 10.450 -1.611 1.00 0.00 H new ATOM 0 HA SER A 27 -1.244 13.172 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.378 11.935 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.874 13.568 -3.408 1.00 0.00 H new ATOM 0 HG SER A 27 0.929 12.139 -3.704 1.00 0.00 H new ATOM 370 N ASP A 28 -3.328 14.126 -2.384 1.00 0.00 N ATOM 371 CA ASP A 28 -4.666 14.636 -2.658 1.00 0.00 C ATOM 372 C ASP A 28 -5.673 14.089 -1.651 1.00 0.00 C ATOM 373 O ASP A 28 -6.841 13.876 -1.979 1.00 0.00 O ATOM 374 CB ASP A 28 -5.095 14.266 -4.079 1.00 0.00 C ATOM 375 CG ASP A 28 -6.056 15.275 -4.675 1.00 0.00 C ATOM 376 OD1 ASP A 28 -5.785 16.489 -4.565 1.00 0.00 O ATOM 377 OD2 ASP A 28 -7.080 14.851 -5.251 1.00 0.00 O ATOM 0 H ASP A 28 -2.580 14.805 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.640 15.722 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.212 14.191 -4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.565 13.283 -4.069 1.00 0.00 H new ATOM 382 N ILE A 29 -5.213 13.863 -0.425 1.00 0.00 N ATOM 383 CA ILE A 29 -6.074 13.341 0.629 1.00 0.00 C ATOM 384 C ILE A 29 -7.320 14.204 0.799 1.00 0.00 C ATOM 385 O ILE A 29 -7.234 15.430 0.861 1.00 0.00 O ATOM 386 CB ILE A 29 -5.330 13.263 1.976 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.071 12.405 1.839 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.245 12.703 3.054 1.00 0.00 C ATOM 389 CD1 ILE A 29 -2.970 12.789 2.802 1.00 0.00 C ATOM 0 H ILE A 29 -4.249 14.033 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.369 12.336 0.327 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.030 14.269 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.334 11.360 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.695 12.486 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.705 12.654 4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.115 13.351 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.572 11.703 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.109 12.139 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.679 13.825 2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.328 12.681 3.826 1.00 0.00 H new ATOM 401 N GLN A 30 -8.477 13.554 0.875 1.00 0.00 N ATOM 402 CA GLN A 30 -9.741 14.262 1.039 1.00 0.00 C ATOM 403 C GLN A 30 -10.456 13.812 2.308 1.00 0.00 C ATOM 404 O GLN A 30 -9.916 13.035 3.095 1.00 0.00 O ATOM 405 CB GLN A 30 -10.640 14.031 -0.177 1.00 0.00 C ATOM 406 CG GLN A 30 -10.466 15.073 -1.269 1.00 0.00 C ATOM 407 CD GLN A 30 -10.734 14.518 -2.654 1.00 0.00 C ATOM 408 OE1 GLN A 30 -10.001 13.656 -3.142 1.00 0.00 O ATOM 409 NE2 GLN A 30 -11.787 15.009 -3.297 1.00 0.00 N ATOM 0 H GLN A 30 -8.565 12.539 0.826 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.524 15.327 1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.431 13.045 -0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.681 14.026 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.140 15.908 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.451 15.468 -1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.367 15.722 -2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.016 14.673 -4.233 1.00 0.00 H new ATOM 418 N ALA A 31 -11.675 14.306 2.502 1.00 0.00 N ATOM 419 CA ALA A 31 -12.465 13.953 3.675 1.00 0.00 C ATOM 420 C ALA A 31 -12.262 12.490 4.053 1.00 0.00 C ATOM 421 O ALA A 31 -11.656 12.182 5.080 1.00 0.00 O ATOM 422 CB ALA A 31 -13.938 14.236 3.424 1.00 0.00 C ATOM 0 H ALA A 31 -12.137 14.952 1.862 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.126 14.567 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.516 13.968 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.073 15.296 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.282 13.647 2.573 1.00 0.00 H new ATOM 428 N ARG A 32 -12.774 11.591 3.218 1.00 0.00 N ATOM 429 CA ARG A 32 -12.651 10.160 3.467 1.00 0.00 C ATOM 430 C ARG A 32 -11.878 9.477 2.342 1.00 0.00 C ATOM 431 O ARG A 32 -11.261 8.431 2.544 1.00 0.00 O ATOM 432 CB ARG A 32 -14.035 9.524 3.608 1.00 0.00 C ATOM 433 CG ARG A 32 -15.085 10.469 4.169 1.00 0.00 C ATOM 434 CD ARG A 32 -15.835 11.191 3.060 1.00 0.00 C ATOM 435 NE ARG A 32 -16.714 12.234 3.582 1.00 0.00 N ATOM 436 CZ ARG A 32 -17.913 11.992 4.101 1.00 0.00 C ATOM 437 NH1 ARG A 32 -18.372 10.750 4.167 1.00 0.00 N ATOM 438 NH2 ARG A 32 -18.654 12.995 4.555 1.00 0.00 N ATOM 0 H ARG A 32 -13.278 11.829 2.364 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.100 10.025 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.363 9.168 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.960 8.651 4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.791 9.908 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.607 11.199 4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.119 11.634 2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.424 10.471 2.493 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.390 13.200 3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.804 9.977 3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.293 10.567 4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.303 13.951 4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.574 12.809 4.953 1.00 0.00 H new ATOM 452 N THR A 33 -11.916 10.076 1.156 1.00 0.00 N ATOM 453 CA THR A 33 -11.222 9.526 -0.001 1.00 0.00 C ATOM 454 C THR A 33 -9.829 10.129 -0.144 1.00 0.00 C ATOM 455 O THR A 33 -9.577 11.249 0.302 1.00 0.00 O ATOM 456 CB THR A 33 -12.012 9.773 -1.300 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.528 11.108 -1.313 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.156 8.779 -1.434 1.00 0.00 C ATOM 0 H THR A 33 -12.421 10.943 0.972 1.00 0.00 H new ATOM 0 HA THR A 33 -11.135 8.452 0.164 1.00 0.00 H new ATOM 0 HB THR A 33 -11.334 9.639 -2.143 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.027 11.258 -2.143 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.700 8.973 -2.359 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.757 7.765 -1.453 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.832 8.886 -0.586 1.00 0.00 H new ATOM 466 N VAL A 34 -8.926 9.381 -0.771 1.00 0.00 N ATOM 467 CA VAL A 34 -7.559 9.843 -0.975 1.00 0.00 C ATOM 468 C VAL A 34 -6.923 9.164 -2.182 1.00 0.00 C ATOM 469 O VAL A 34 -7.472 8.207 -2.730 1.00 0.00 O ATOM 470 CB VAL A 34 -6.686 9.579 0.267 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.473 9.850 1.540 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.155 8.154 0.252 1.00 0.00 C ATOM 0 H VAL A 34 -9.117 8.452 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.612 10.917 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.835 10.259 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.840 9.658 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.799 10.890 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.344 9.196 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.541 7.985 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.991 7.454 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.552 8.000 -0.643 1.00 0.00 H new ATOM 482 N VAL A 35 -5.762 9.664 -2.593 1.00 0.00 N ATOM 483 CA VAL A 35 -5.050 9.104 -3.736 1.00 0.00 C ATOM 484 C VAL A 35 -3.798 8.357 -3.291 1.00 0.00 C ATOM 485 O VAL A 35 -2.770 8.967 -2.994 1.00 0.00 O ATOM 486 CB VAL A 35 -4.650 10.201 -4.740 1.00 0.00 C ATOM 487 CG1 VAL A 35 -3.839 9.610 -5.883 1.00 0.00 C ATOM 488 CG2 VAL A 35 -5.885 10.917 -5.267 1.00 0.00 C ATOM 0 H VAL A 35 -5.294 10.456 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.732 8.407 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.027 10.931 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.566 10.400 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.935 9.148 -5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.434 8.858 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.584 11.689 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.536 10.200 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.422 11.376 -4.437 1.00 0.00 H new ATOM 498 N LEU A 36 -3.890 7.033 -3.247 1.00 0.00 N ATOM 499 CA LEU A 36 -2.764 6.200 -2.839 1.00 0.00 C ATOM 500 C LEU A 36 -1.997 5.688 -4.053 1.00 0.00 C ATOM 501 O LEU A 36 -2.502 4.867 -4.820 1.00 0.00 O ATOM 502 CB LEU A 36 -3.255 5.021 -1.996 1.00 0.00 C ATOM 503 CG LEU A 36 -2.214 4.366 -1.089 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.763 5.335 -0.007 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.773 3.093 -0.468 1.00 0.00 C ATOM 0 H LEU A 36 -4.733 6.513 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.090 6.812 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.084 5.363 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.653 4.260 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.348 4.101 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.022 4.851 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.323 6.218 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.621 5.631 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.018 2.640 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.656 3.334 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.045 2.392 -1.257 1.00 0.00 H new ATOM 517 N THR A 37 -0.772 6.176 -4.223 1.00 0.00 N ATOM 518 CA THR A 37 0.066 5.767 -5.343 1.00 0.00 C ATOM 519 C THR A 37 1.358 5.122 -4.856 1.00 0.00 C ATOM 520 O THR A 37 2.108 5.718 -4.084 1.00 0.00 O ATOM 521 CB THR A 37 0.413 6.963 -6.250 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.773 7.703 -6.560 1.00 0.00 O ATOM 523 CG2 THR A 37 1.073 6.491 -7.537 1.00 0.00 C ATOM 0 H THR A 37 -0.338 6.856 -3.598 1.00 0.00 H new ATOM 0 HA THR A 37 -0.507 5.038 -5.917 1.00 0.00 H new ATOM 0 HB THR A 37 1.112 7.606 -5.715 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.544 8.462 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.309 7.352 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.991 5.953 -7.299 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.393 5.829 -8.073 1.00 0.00 H new ATOM 531 N TRP A 38 1.612 3.901 -5.312 1.00 0.00 N ATOM 532 CA TRP A 38 2.815 3.174 -4.923 1.00 0.00 C ATOM 533 C TRP A 38 3.545 2.634 -6.148 1.00 0.00 C ATOM 534 O TRP A 38 2.968 2.531 -7.230 1.00 0.00 O ATOM 535 CB TRP A 38 2.459 2.025 -3.979 1.00 0.00 C ATOM 536 CG TRP A 38 1.462 1.067 -4.558 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.732 -0.044 -5.306 1.00 0.00 C ATOM 538 CD2 TRP A 38 0.037 1.137 -4.439 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.560 -0.669 -5.659 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.494 0.035 -5.139 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.842 2.021 -3.809 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.863 -0.202 -5.224 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.201 1.784 -3.895 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.701 0.680 -4.597 1.00 0.00 C ATOM 0 H TRP A 38 1.001 3.393 -5.952 1.00 0.00 H new ATOM 0 HA TRP A 38 3.477 3.868 -4.405 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.368 1.481 -3.722 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.060 2.436 -3.052 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.721 -0.381 -5.580 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.487 -1.519 -6.218 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.466 2.875 -3.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.250 -1.052 -5.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.889 2.462 -3.412 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.768 0.522 -4.644 1.00 0.00 H new ATOM 555 N SER A 39 4.817 2.291 -5.970 1.00 0.00 N ATOM 556 CA SER A 39 5.626 1.764 -7.063 1.00 0.00 C ATOM 557 C SER A 39 5.696 0.241 -7.002 1.00 0.00 C ATOM 558 O SER A 39 5.608 -0.368 -5.936 1.00 0.00 O ATOM 559 CB SER A 39 7.037 2.353 -7.010 1.00 0.00 C ATOM 560 OG SER A 39 7.110 3.569 -7.734 1.00 0.00 O ATOM 0 H SER A 39 5.309 2.369 -5.080 1.00 0.00 H new ATOM 0 HA SER A 39 5.155 2.051 -8.003 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.323 2.526 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.749 1.638 -7.422 1.00 0.00 H new ATOM 0 HG SER A 39 8.021 3.926 -7.683 1.00 0.00 H new ATOM 566 N PRO A 40 5.858 -0.390 -8.175 1.00 0.00 N ATOM 567 CA PRO A 40 5.944 -1.849 -8.283 1.00 0.00 C ATOM 568 C PRO A 40 7.240 -2.399 -7.697 1.00 0.00 C ATOM 569 O PRO A 40 8.226 -1.682 -7.529 1.00 0.00 O ATOM 570 CB PRO A 40 5.893 -2.096 -9.793 1.00 0.00 C ATOM 571 CG PRO A 40 6.407 -0.837 -10.401 1.00 0.00 C ATOM 572 CD PRO A 40 5.970 0.273 -9.485 1.00 0.00 C ATOM 0 HA PRO A 40 5.148 -2.346 -7.728 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.507 -2.951 -10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.877 -2.310 -10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.493 -0.863 -10.493 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.006 -0.696 -11.405 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.696 1.086 -9.463 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.019 0.703 -9.800 1.00 0.00 H new ATOM 580 N PRO A 41 7.240 -3.701 -7.379 1.00 0.00 N ATOM 581 CA PRO A 41 8.409 -4.376 -6.807 1.00 0.00 C ATOM 582 C PRO A 41 9.545 -4.521 -7.814 1.00 0.00 C ATOM 583 O PRO A 41 9.317 -4.526 -9.024 1.00 0.00 O ATOM 584 CB PRO A 41 7.867 -5.751 -6.411 1.00 0.00 C ATOM 585 CG PRO A 41 6.702 -5.973 -7.313 1.00 0.00 C ATOM 586 CD PRO A 41 6.100 -4.616 -7.552 1.00 0.00 C ATOM 0 HA PRO A 41 8.836 -3.816 -5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.622 -6.527 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.566 -5.771 -5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.016 -6.431 -8.251 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.977 -6.647 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.670 -4.538 -8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.301 -4.401 -6.843 1.00 0.00 H new ATOM 594 N SER A 42 10.768 -4.641 -7.308 1.00 0.00 N ATOM 595 CA SER A 42 11.940 -4.783 -8.164 1.00 0.00 C ATOM 596 C SER A 42 12.573 -6.161 -7.994 1.00 0.00 C ATOM 597 O SER A 42 13.162 -6.461 -6.955 1.00 0.00 O ATOM 598 CB SER A 42 12.966 -3.695 -7.845 1.00 0.00 C ATOM 599 OG SER A 42 12.475 -2.412 -8.195 1.00 0.00 O ATOM 0 H SER A 42 10.973 -4.643 -6.309 1.00 0.00 H new ATOM 0 HA SER A 42 11.618 -4.675 -9.200 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.207 -3.718 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.891 -3.894 -8.386 1.00 0.00 H new ATOM 0 HG SER A 42 13.149 -1.734 -7.980 1.00 0.00 H new ATOM 605 N SER A 43 12.447 -6.994 -9.021 1.00 0.00 N ATOM 606 CA SER A 43 13.003 -8.342 -8.985 1.00 0.00 C ATOM 607 C SER A 43 14.526 -8.299 -8.906 1.00 0.00 C ATOM 608 O SER A 43 15.182 -7.624 -9.701 1.00 0.00 O ATOM 609 CB SER A 43 12.567 -9.130 -10.222 1.00 0.00 C ATOM 610 OG SER A 43 12.324 -10.488 -9.902 1.00 0.00 O ATOM 0 H SER A 43 11.965 -6.760 -9.889 1.00 0.00 H new ATOM 0 HA SER A 43 12.624 -8.841 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.665 -8.685 -10.641 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.339 -9.066 -10.988 1.00 0.00 H new ATOM 0 HG SER A 43 12.045 -10.969 -10.709 1.00 0.00 H new ATOM 616 N LEU A 44 15.083 -9.024 -7.942 1.00 0.00 N ATOM 617 CA LEU A 44 16.529 -9.070 -7.757 1.00 0.00 C ATOM 618 C LEU A 44 17.143 -10.220 -8.549 1.00 0.00 C ATOM 619 O LEU A 44 18.210 -10.726 -8.201 1.00 0.00 O ATOM 620 CB LEU A 44 16.869 -9.219 -6.273 1.00 0.00 C ATOM 621 CG LEU A 44 16.175 -8.241 -5.324 1.00 0.00 C ATOM 622 CD1 LEU A 44 16.020 -8.857 -3.942 1.00 0.00 C ATOM 623 CD2 LEU A 44 16.950 -6.934 -5.244 1.00 0.00 C ATOM 0 H LEU A 44 14.555 -9.588 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 44 16.948 -8.134 -8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.619 -10.234 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.947 -9.106 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 44 15.181 -8.027 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.524 -8.147 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.421 -9.765 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.003 -9.101 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.441 -6.250 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 44 17.957 -7.130 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 44 17.008 -6.484 -6.235 1.00 0.00 H new ATOM 635 N ILE A 45 16.462 -10.627 -9.615 1.00 0.00 N ATOM 636 CA ILE A 45 16.942 -11.715 -10.458 1.00 0.00 C ATOM 637 C ILE A 45 18.338 -11.419 -10.996 1.00 0.00 C ATOM 638 O ILE A 45 19.021 -12.309 -11.501 1.00 0.00 O ATOM 639 CB ILE A 45 15.991 -11.972 -11.641 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.558 -12.163 -11.141 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.447 -13.189 -12.433 1.00 0.00 C ATOM 642 CD1 ILE A 45 14.383 -13.378 -10.257 1.00 0.00 C ATOM 0 H ILE A 45 15.576 -10.220 -9.915 1.00 0.00 H new ATOM 0 HA ILE A 45 16.979 -12.607 -9.832 1.00 0.00 H new ATOM 0 HB ILE A 45 16.013 -11.104 -12.300 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.253 -11.275 -10.588 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.891 -12.249 -11.999 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.764 -13.358 -13.266 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.453 -13.017 -12.817 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.451 -14.065 -11.784 1.00 0.00 H new ATOM 0 HD11 ILE A 45 13.343 -13.450 -9.940 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.656 -14.275 -10.813 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.024 -13.285 -9.380 1.00 0.00 H new ATOM 654 N ASN A 46 18.755 -10.162 -10.883 1.00 0.00 N ATOM 655 CA ASN A 46 20.070 -9.748 -11.357 1.00 0.00 C ATOM 656 C ASN A 46 20.108 -9.698 -12.882 1.00 0.00 C ATOM 657 O ASN A 46 21.166 -9.847 -13.492 1.00 0.00 O ATOM 658 CB ASN A 46 21.147 -10.705 -10.841 1.00 0.00 C ATOM 659 CG ASN A 46 20.930 -11.090 -9.390 1.00 0.00 C ATOM 660 OD1 ASN A 46 21.127 -10.280 -8.485 1.00 0.00 O ATOM 661 ND2 ASN A 46 20.521 -12.333 -9.163 1.00 0.00 N ATOM 0 H ASN A 46 18.201 -9.413 -10.467 1.00 0.00 H new ATOM 0 HA ASN A 46 20.268 -8.747 -10.973 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.155 -11.605 -11.456 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.126 -10.238 -10.948 1.00 0.00 H new ATOM 0 HD21 ASN A 46 20.358 -12.650 -8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 46 20.370 -12.971 -9.944 1.00 0.00 H new ATOM 668 N GLY A 47 18.945 -9.487 -13.491 1.00 0.00 N ATOM 669 CA GLY A 47 18.867 -9.420 -14.938 1.00 0.00 C ATOM 670 C GLY A 47 18.901 -10.791 -15.584 1.00 0.00 C ATOM 671 O GLY A 47 18.637 -10.928 -16.778 1.00 0.00 O ATOM 0 H GLY A 47 18.056 -9.361 -13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.949 -8.909 -15.226 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.697 -8.823 -15.316 1.00 0.00 H new ATOM 675 N GLU A 48 19.229 -11.808 -14.793 1.00 0.00 N ATOM 676 CA GLU A 48 19.299 -13.175 -15.297 1.00 0.00 C ATOM 677 C GLU A 48 18.059 -13.516 -16.120 1.00 0.00 C ATOM 678 O GLU A 48 18.087 -14.410 -16.966 1.00 0.00 O ATOM 679 CB GLU A 48 19.443 -14.163 -14.138 1.00 0.00 C ATOM 680 CG GLU A 48 20.232 -15.411 -14.497 1.00 0.00 C ATOM 681 CD GLU A 48 21.496 -15.099 -15.274 1.00 0.00 C ATOM 682 OE1 GLU A 48 22.220 -14.163 -14.878 1.00 0.00 O ATOM 683 OE2 GLU A 48 21.761 -15.793 -16.278 1.00 0.00 O ATOM 0 H GLU A 48 19.450 -11.711 -13.802 1.00 0.00 H new ATOM 0 HA GLU A 48 20.174 -13.253 -15.942 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.932 -13.662 -13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.450 -14.457 -13.796 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.494 -15.946 -13.584 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.602 -16.077 -15.087 1.00 0.00 H new ATOM 690 N THR A 49 16.971 -12.797 -15.864 1.00 0.00 N ATOM 691 CA THR A 49 15.720 -13.023 -16.578 1.00 0.00 C ATOM 692 C THR A 49 15.422 -11.879 -17.540 1.00 0.00 C ATOM 693 O THR A 49 15.860 -10.748 -17.330 1.00 0.00 O ATOM 694 CB THR A 49 14.538 -13.181 -15.603 1.00 0.00 C ATOM 695 OG1 THR A 49 13.359 -13.560 -16.321 1.00 0.00 O ATOM 696 CG2 THR A 49 14.283 -11.886 -14.847 1.00 0.00 C ATOM 0 H THR A 49 16.931 -12.053 -15.167 1.00 0.00 H new ATOM 0 HA THR A 49 15.841 -13.947 -17.144 1.00 0.00 H new ATOM 0 HB THR A 49 14.791 -13.959 -14.883 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.612 -13.660 -15.694 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.444 -12.022 -14.165 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.173 -11.615 -14.278 1.00 0.00 H new ATOM 0 HG23 THR A 49 14.049 -11.091 -15.555 1.00 0.00 H new ATOM 704 N ASP A 50 14.673 -12.180 -18.595 1.00 0.00 N ATOM 705 CA ASP A 50 14.313 -11.176 -19.590 1.00 0.00 C ATOM 706 C ASP A 50 13.571 -10.012 -18.942 1.00 0.00 C ATOM 707 O ASP A 50 12.898 -10.181 -17.925 1.00 0.00 O ATOM 708 CB ASP A 50 13.451 -11.800 -20.688 1.00 0.00 C ATOM 709 CG ASP A 50 14.270 -12.590 -21.689 1.00 0.00 C ATOM 710 OD1 ASP A 50 15.203 -12.010 -22.283 1.00 0.00 O ATOM 711 OD2 ASP A 50 13.980 -13.790 -21.877 1.00 0.00 O ATOM 0 H ASP A 50 14.303 -13.112 -18.784 1.00 0.00 H new ATOM 0 HA ASP A 50 15.232 -10.795 -20.035 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.708 -12.455 -20.234 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.906 -11.013 -21.209 1.00 0.00 H new ATOM 716 N GLU A 51 13.698 -8.830 -19.538 1.00 0.00 N ATOM 717 CA GLU A 51 13.040 -7.638 -19.017 1.00 0.00 C ATOM 718 C GLU A 51 11.522 -7.777 -19.093 1.00 0.00 C ATOM 719 O GLU A 51 10.796 -7.234 -18.261 1.00 0.00 O ATOM 720 CB GLU A 51 13.489 -6.399 -19.796 1.00 0.00 C ATOM 721 CG GLU A 51 13.166 -6.463 -21.279 1.00 0.00 C ATOM 722 CD GLU A 51 13.920 -5.424 -22.086 1.00 0.00 C ATOM 723 OE1 GLU A 51 13.612 -4.222 -21.943 1.00 0.00 O ATOM 724 OE2 GLU A 51 14.819 -5.813 -22.860 1.00 0.00 O ATOM 0 H GLU A 51 14.250 -8.673 -20.381 1.00 0.00 H new ATOM 0 HA GLU A 51 13.325 -7.525 -17.971 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.012 -5.518 -19.367 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.564 -6.272 -19.672 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.407 -7.456 -21.657 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.095 -6.320 -21.420 1.00 0.00 H new ATOM 731 N SER A 52 11.050 -8.509 -20.097 1.00 0.00 N ATOM 732 CA SER A 52 9.619 -8.717 -20.285 1.00 0.00 C ATOM 733 C SER A 52 9.173 -10.029 -19.647 1.00 0.00 C ATOM 734 O SER A 52 8.361 -10.762 -20.213 1.00 0.00 O ATOM 735 CB SER A 52 9.274 -8.717 -21.775 1.00 0.00 C ATOM 736 OG SER A 52 9.065 -7.398 -22.250 1.00 0.00 O ATOM 0 H SER A 52 11.638 -8.968 -20.793 1.00 0.00 H new ATOM 0 HA SER A 52 9.090 -7.898 -19.797 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.081 -9.186 -22.338 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.378 -9.314 -21.944 1.00 0.00 H new ATOM 0 HG SER A 52 8.848 -7.425 -23.205 1.00 0.00 H new ATOM 742 N SER A 53 9.709 -10.319 -18.466 1.00 0.00 N ATOM 743 CA SER A 53 9.370 -11.544 -17.753 1.00 0.00 C ATOM 744 C SER A 53 8.523 -11.238 -16.521 1.00 0.00 C ATOM 745 O SER A 53 7.403 -11.731 -16.385 1.00 0.00 O ATOM 746 CB SER A 53 10.642 -12.288 -17.340 1.00 0.00 C ATOM 747 OG SER A 53 11.129 -13.092 -18.400 1.00 0.00 O ATOM 0 H SER A 53 10.380 -9.722 -17.983 1.00 0.00 H new ATOM 0 HA SER A 53 8.789 -12.177 -18.424 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.407 -11.570 -17.043 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.436 -12.912 -16.471 1.00 0.00 H new ATOM 0 HG SER A 53 11.975 -13.509 -18.133 1.00 0.00 H new ATOM 753 N VAL A 54 9.067 -10.422 -15.624 1.00 0.00 N ATOM 754 CA VAL A 54 8.363 -10.048 -14.403 1.00 0.00 C ATOM 755 C VAL A 54 6.997 -9.450 -14.718 1.00 0.00 C ATOM 756 O VAL A 54 6.879 -8.436 -15.406 1.00 0.00 O ATOM 757 CB VAL A 54 9.176 -9.036 -13.574 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.287 -9.741 -12.811 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.742 -7.946 -14.470 1.00 0.00 C ATOM 0 H VAL A 54 9.994 -10.007 -15.720 1.00 0.00 H new ATOM 0 HA VAL A 54 8.231 -10.960 -13.821 1.00 0.00 H new ATOM 0 HB VAL A 54 8.510 -8.568 -12.849 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.851 -9.010 -12.231 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.854 -10.481 -12.139 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.954 -10.237 -13.516 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.313 -7.240 -13.867 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.394 -8.394 -15.220 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.925 -7.422 -14.966 1.00 0.00 H new ATOM 769 N PRO A 55 5.937 -10.091 -14.203 1.00 0.00 N ATOM 770 CA PRO A 55 4.559 -9.639 -14.415 1.00 0.00 C ATOM 771 C PRO A 55 4.255 -8.339 -13.677 1.00 0.00 C ATOM 772 O PRO A 55 4.963 -7.966 -12.743 1.00 0.00 O ATOM 773 CB PRO A 55 3.719 -10.785 -13.846 1.00 0.00 C ATOM 774 CG PRO A 55 4.603 -11.442 -12.843 1.00 0.00 C ATOM 775 CD PRO A 55 6.003 -11.306 -13.373 1.00 0.00 C ATOM 0 HA PRO A 55 4.357 -9.424 -15.464 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.804 -10.414 -13.384 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.421 -11.483 -14.628 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.507 -10.966 -11.867 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.335 -12.491 -12.714 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.730 -11.203 -12.567 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.297 -12.177 -13.958 1.00 0.00 H new ATOM 783 N GLU A 56 3.197 -7.656 -14.103 1.00 0.00 N ATOM 784 CA GLU A 56 2.801 -6.397 -13.482 1.00 0.00 C ATOM 785 C GLU A 56 1.385 -6.490 -12.921 1.00 0.00 C ATOM 786 O GLU A 56 0.666 -5.492 -12.852 1.00 0.00 O ATOM 787 CB GLU A 56 2.887 -5.254 -14.495 1.00 0.00 C ATOM 788 CG GLU A 56 1.890 -5.375 -15.635 1.00 0.00 C ATOM 789 CD GLU A 56 1.611 -4.046 -16.310 1.00 0.00 C ATOM 790 OE1 GLU A 56 1.598 -3.014 -15.607 1.00 0.00 O ATOM 791 OE2 GLU A 56 1.407 -4.039 -17.543 1.00 0.00 O ATOM 0 H GLU A 56 2.599 -7.953 -14.875 1.00 0.00 H new ATOM 0 HA GLU A 56 3.487 -6.195 -12.659 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.722 -4.309 -13.978 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.895 -5.220 -14.907 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.272 -6.080 -16.373 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.956 -5.788 -15.254 1.00 0.00 H new ATOM 798 N LEU A 57 0.991 -7.694 -12.521 1.00 0.00 N ATOM 799 CA LEU A 57 -0.339 -7.918 -11.966 1.00 0.00 C ATOM 800 C LEU A 57 -0.263 -8.221 -10.473 1.00 0.00 C ATOM 801 O LEU A 57 -1.167 -8.834 -9.907 1.00 0.00 O ATOM 802 CB LEU A 57 -1.031 -9.071 -12.697 1.00 0.00 C ATOM 803 CG LEU A 57 -1.451 -8.794 -14.141 1.00 0.00 C ATOM 804 CD1 LEU A 57 -2.099 -7.423 -14.254 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.255 -8.900 -15.075 1.00 0.00 C ATOM 0 H LEU A 57 1.574 -8.530 -12.571 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.921 -7.007 -12.104 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.362 -9.931 -12.693 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.918 -9.354 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.184 -9.545 -14.436 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.391 -7.243 -15.288 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.981 -7.384 -13.615 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.389 -6.658 -13.939 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.573 -8.700 -16.098 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.502 -8.172 -14.781 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.165 -9.904 -15.016 1.00 0.00 H new ATOM 817 N TYR A 58 0.821 -7.784 -9.842 1.00 0.00 N ATOM 818 CA TYR A 58 1.016 -8.009 -8.414 1.00 0.00 C ATOM 819 C TYR A 58 -0.178 -7.498 -7.614 1.00 0.00 C ATOM 820 O TYR A 58 -0.487 -6.307 -7.630 1.00 0.00 O ATOM 821 CB TYR A 58 2.296 -7.318 -7.938 1.00 0.00 C ATOM 822 CG TYR A 58 3.524 -7.707 -8.730 1.00 0.00 C ATOM 823 CD1 TYR A 58 4.043 -8.993 -8.659 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.165 -6.786 -9.551 1.00 0.00 C ATOM 825 CE1 TYR A 58 5.165 -9.352 -9.381 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.287 -7.136 -10.277 1.00 0.00 C ATOM 827 CZ TYR A 58 5.783 -8.420 -10.188 1.00 0.00 C ATOM 828 OH TYR A 58 6.900 -8.774 -10.910 1.00 0.00 O ATOM 0 H TYR A 58 1.578 -7.272 -10.296 1.00 0.00 H new ATOM 0 HA TYR A 58 1.107 -9.083 -8.250 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.161 -6.238 -8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.460 -7.559 -6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.561 -9.725 -8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.779 -5.780 -9.622 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.556 -10.357 -9.314 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.773 -6.409 -10.910 1.00 0.00 H new ATOM 0 HH TYR A 58 6.681 -8.790 -11.865 1.00 0.00 H new ATOM 838 N GLY A 59 -0.846 -8.409 -6.914 1.00 0.00 N ATOM 839 CA GLY A 59 -1.999 -8.033 -6.116 1.00 0.00 C ATOM 840 C GLY A 59 -1.629 -7.144 -4.946 1.00 0.00 C ATOM 841 O GLY A 59 -1.050 -7.608 -3.963 1.00 0.00 O ATOM 0 H GLY A 59 -0.610 -9.401 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.721 -7.515 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.489 -8.933 -5.744 1.00 0.00 H new ATOM 845 N TYR A 60 -1.963 -5.863 -5.050 1.00 0.00 N ATOM 846 CA TYR A 60 -1.658 -4.905 -3.994 1.00 0.00 C ATOM 847 C TYR A 60 -2.857 -4.714 -3.069 1.00 0.00 C ATOM 848 O TYR A 60 -3.938 -4.326 -3.511 1.00 0.00 O ATOM 849 CB TYR A 60 -1.246 -3.561 -4.597 1.00 0.00 C ATOM 850 CG TYR A 60 -0.144 -3.672 -5.626 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.174 -3.887 -5.241 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.420 -3.561 -6.983 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.184 -3.988 -6.177 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.584 -3.663 -7.927 1.00 0.00 C ATOM 855 CZ TYR A 60 1.884 -3.876 -7.519 1.00 0.00 C ATOM 856 OH TYR A 60 2.888 -3.976 -8.456 1.00 0.00 O ATOM 0 H TYR A 60 -2.445 -5.464 -5.855 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.829 -5.301 -3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.118 -3.097 -5.059 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.919 -2.898 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.412 -3.977 -4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.437 -3.392 -7.306 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.203 -4.154 -5.860 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.352 -3.576 -8.978 1.00 0.00 H new ATOM 0 HH TYR A 60 2.509 -3.876 -9.354 1.00 0.00 H new ATOM 866 N GLU A 61 -2.655 -4.989 -1.785 1.00 0.00 N ATOM 867 CA GLU A 61 -3.720 -4.848 -0.798 1.00 0.00 C ATOM 868 C GLU A 61 -3.408 -3.719 0.181 1.00 0.00 C ATOM 869 O GLU A 61 -2.374 -3.729 0.848 1.00 0.00 O ATOM 870 CB GLU A 61 -3.915 -6.160 -0.034 1.00 0.00 C ATOM 871 CG GLU A 61 -4.973 -6.079 1.053 1.00 0.00 C ATOM 872 CD GLU A 61 -5.168 -7.398 1.776 1.00 0.00 C ATOM 873 OE1 GLU A 61 -5.707 -8.339 1.156 1.00 0.00 O ATOM 874 OE2 GLU A 61 -4.783 -7.489 2.960 1.00 0.00 O ATOM 0 H GLU A 61 -1.765 -5.310 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.641 -4.604 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.190 -6.944 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.966 -6.454 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.690 -5.312 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.920 -5.768 0.611 1.00 0.00 H new ATOM 881 N VAL A 62 -4.311 -2.747 0.260 1.00 0.00 N ATOM 882 CA VAL A 62 -4.134 -1.610 1.156 1.00 0.00 C ATOM 883 C VAL A 62 -4.698 -1.909 2.540 1.00 0.00 C ATOM 884 O VAL A 62 -5.907 -2.071 2.709 1.00 0.00 O ATOM 885 CB VAL A 62 -4.813 -0.345 0.599 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.602 0.832 1.539 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.288 -0.028 -0.793 1.00 0.00 C ATOM 0 H VAL A 62 -5.173 -2.724 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.061 -1.432 1.234 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.884 -0.531 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.089 1.717 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.031 0.601 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.535 1.023 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.779 0.869 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.212 0.139 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.497 -0.865 -1.460 1.00 0.00 H new ATOM 897 N LEU A 63 -3.814 -1.982 3.530 1.00 0.00 N ATOM 898 CA LEU A 63 -4.224 -2.261 4.902 1.00 0.00 C ATOM 899 C LEU A 63 -4.146 -1.002 5.760 1.00 0.00 C ATOM 900 O LEU A 63 -3.111 -0.337 5.812 1.00 0.00 O ATOM 901 CB LEU A 63 -3.344 -3.357 5.504 1.00 0.00 C ATOM 902 CG LEU A 63 -3.142 -4.605 4.644 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.911 -5.373 5.097 1.00 0.00 C ATOM 904 CD2 LEU A 63 -4.377 -5.494 4.696 1.00 0.00 C ATOM 0 H LEU A 63 -2.810 -1.852 3.408 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.259 -2.603 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.366 -2.930 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.779 -3.663 6.455 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.988 -4.290 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.784 -6.258 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.031 -4.736 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.034 -5.677 6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.216 -6.377 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.562 -5.800 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.239 -4.942 4.321 1.00 0.00 H new ATOM 916 N ILE A 64 -5.247 -0.682 6.433 1.00 0.00 N ATOM 917 CA ILE A 64 -5.302 0.495 7.291 1.00 0.00 C ATOM 918 C ILE A 64 -5.842 0.142 8.673 1.00 0.00 C ATOM 919 O ILE A 64 -6.669 -0.758 8.816 1.00 0.00 O ATOM 920 CB ILE A 64 -6.180 1.600 6.675 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.615 1.101 6.495 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.601 2.056 5.344 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.640 2.212 6.449 1.00 0.00 C ATOM 0 H ILE A 64 -6.112 -1.221 6.400 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.281 0.865 7.386 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.195 2.453 7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.677 0.522 5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.861 0.424 7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.233 2.837 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.595 2.447 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.560 1.211 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.634 1.785 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.606 2.777 7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.419 2.876 5.614 1.00 0.00 H new ATOM 935 N SER A 65 -5.371 0.860 9.687 1.00 0.00 N ATOM 936 CA SER A 65 -5.806 0.622 11.059 1.00 0.00 C ATOM 937 C SER A 65 -6.202 1.930 11.737 1.00 0.00 C ATOM 938 O SER A 65 -5.412 2.526 12.470 1.00 0.00 O ATOM 939 CB SER A 65 -4.695 -0.063 11.856 1.00 0.00 C ATOM 940 OG SER A 65 -3.514 0.721 11.864 1.00 0.00 O ATOM 0 H SER A 65 -4.688 1.611 9.585 1.00 0.00 H new ATOM 0 HA SER A 65 -6.678 -0.031 11.030 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.029 -0.233 12.879 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.483 -1.041 11.424 1.00 0.00 H new ATOM 0 HG SER A 65 -3.742 1.653 12.063 1.00 0.00 H new ATOM 946 N SER A 66 -7.431 2.370 11.488 1.00 0.00 N ATOM 947 CA SER A 66 -7.932 3.609 12.071 1.00 0.00 C ATOM 948 C SER A 66 -7.486 3.746 13.523 1.00 0.00 C ATOM 949 O SER A 66 -7.140 4.836 13.980 1.00 0.00 O ATOM 950 CB SER A 66 -9.459 3.656 11.988 1.00 0.00 C ATOM 951 OG SER A 66 -10.046 2.706 12.861 1.00 0.00 O ATOM 0 H SER A 66 -8.098 1.887 10.886 1.00 0.00 H new ATOM 0 HA SER A 66 -7.519 4.442 11.502 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.810 4.656 12.244 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.777 3.459 10.964 1.00 0.00 H new ATOM 0 HG SER A 66 -11.022 2.757 12.791 1.00 0.00 H new ATOM 957 N THR A 67 -7.497 2.630 14.246 1.00 0.00 N ATOM 958 CA THR A 67 -7.095 2.623 15.647 1.00 0.00 C ATOM 959 C THR A 67 -5.618 2.968 15.797 1.00 0.00 C ATOM 960 O THR A 67 -5.253 3.855 16.568 1.00 0.00 O ATOM 961 CB THR A 67 -7.360 1.254 16.301 1.00 0.00 C ATOM 962 OG1 THR A 67 -8.750 0.924 16.203 1.00 0.00 O ATOM 963 CG2 THR A 67 -6.937 1.261 17.762 1.00 0.00 C ATOM 0 H THR A 67 -7.780 1.719 13.884 1.00 0.00 H new ATOM 0 HA THR A 67 -7.695 3.380 16.151 1.00 0.00 H new ATOM 0 HB THR A 67 -6.771 0.504 15.772 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.909 0.051 16.620 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.134 0.284 18.202 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.872 1.482 17.831 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.502 2.022 18.301 1.00 0.00 H new ATOM 971 N GLY A 68 -4.771 2.262 15.054 1.00 0.00 N ATOM 972 CA GLY A 68 -3.343 2.510 15.119 1.00 0.00 C ATOM 973 C GLY A 68 -2.533 1.410 14.462 1.00 0.00 C ATOM 974 O GLY A 68 -3.026 0.299 14.266 1.00 0.00 O ATOM 0 H GLY A 68 -5.049 1.523 14.408 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.120 3.460 14.634 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.041 2.606 16.162 1.00 0.00 H new ATOM 978 N LYS A 69 -1.287 1.718 14.120 1.00 0.00 N ATOM 979 CA LYS A 69 -0.406 0.748 13.481 1.00 0.00 C ATOM 980 C LYS A 69 -0.473 -0.599 14.192 1.00 0.00 C ATOM 981 O LYS A 69 -0.535 -1.648 13.550 1.00 0.00 O ATOM 982 CB LYS A 69 1.035 1.263 13.476 1.00 0.00 C ATOM 983 CG LYS A 69 1.934 0.544 12.485 1.00 0.00 C ATOM 984 CD LYS A 69 3.402 0.711 12.841 1.00 0.00 C ATOM 985 CE LYS A 69 3.923 2.080 12.432 1.00 0.00 C ATOM 986 NZ LYS A 69 3.758 3.083 13.520 1.00 0.00 N ATOM 0 H LYS A 69 -0.864 2.633 14.275 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.741 0.613 12.453 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.031 2.328 13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.453 1.157 14.477 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.682 -0.516 12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.755 0.932 11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.535 0.576 13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.988 -0.065 12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.977 2.003 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.393 2.419 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.062 3.799 13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.425 2.607 14.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.671 3.544 13.709 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.463 -0.563 15.520 1.00 0.00 N ATOM 1001 CA ASP A 70 -0.526 -1.782 16.318 1.00 0.00 C ATOM 1002 C ASP A 70 -1.971 -2.143 16.646 1.00 0.00 C ATOM 1003 O ASP A 70 -2.293 -2.491 17.781 1.00 0.00 O ATOM 1004 CB ASP A 70 0.276 -1.613 17.609 1.00 0.00 C ATOM 1005 CG ASP A 70 1.724 -2.032 17.451 1.00 0.00 C ATOM 1006 OD1 ASP A 70 2.002 -3.247 17.527 1.00 0.00 O ATOM 1007 OD2 ASP A 70 2.581 -1.145 17.252 1.00 0.00 O ATOM 0 H ASP A 70 -0.412 0.297 16.066 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.092 -2.593 15.733 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.235 -0.571 17.925 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.186 -2.204 18.400 1.00 0.00 H new ATOM 1012 N GLY A 71 -2.839 -2.058 15.642 1.00 0.00 N ATOM 1013 CA GLY A 71 -4.240 -2.378 15.844 1.00 0.00 C ATOM 1014 C GLY A 71 -4.770 -3.347 14.806 1.00 0.00 C ATOM 1015 O GLY A 71 -4.030 -4.190 14.298 1.00 0.00 O ATOM 0 H GLY A 71 -2.597 -1.773 14.693 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.372 -2.807 16.837 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.827 -1.460 15.813 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.055 -3.230 14.490 1.00 0.00 N ATOM 1020 CA LYS A 72 -6.684 -4.103 13.506 1.00 0.00 C ATOM 1021 C LYS A 72 -6.595 -3.500 12.108 1.00 0.00 C ATOM 1022 O LYS A 72 -6.834 -2.307 11.920 1.00 0.00 O ATOM 1023 CB LYS A 72 -8.149 -4.348 13.875 1.00 0.00 C ATOM 1024 CG LYS A 72 -8.902 -5.182 12.852 1.00 0.00 C ATOM 1025 CD LYS A 72 -8.676 -6.668 13.068 1.00 0.00 C ATOM 1026 CE LYS A 72 -9.833 -7.493 12.525 1.00 0.00 C ATOM 1027 NZ LYS A 72 -9.779 -8.904 13.000 1.00 0.00 N ATOM 0 H LYS A 72 -6.682 -2.538 14.901 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.151 -5.054 13.507 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.193 -4.848 14.842 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.652 -3.388 13.990 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.968 -4.962 12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.579 -4.906 11.848 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.750 -6.971 12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.554 -6.867 14.133 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.776 -7.042 12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.812 -7.475 11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.584 -9.433 12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.890 -9.343 12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.825 -8.923 14.039 1.00 0.00 H new ATOM 1041 N TYR A 73 -6.250 -4.331 11.131 1.00 0.00 N ATOM 1042 CA TYR A 73 -6.128 -3.879 9.750 1.00 0.00 C ATOM 1043 C TYR A 73 -7.276 -4.414 8.899 1.00 0.00 C ATOM 1044 O TYR A 73 -7.848 -5.463 9.195 1.00 0.00 O ATOM 1045 CB TYR A 73 -4.790 -4.327 9.161 1.00 0.00 C ATOM 1046 CG TYR A 73 -3.627 -3.449 9.565 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.929 -3.686 10.743 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -3.226 -2.383 8.770 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.866 -2.887 11.117 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -2.163 -1.579 9.135 1.00 0.00 C ATOM 1051 CZ TYR A 73 -1.487 -1.835 10.310 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.429 -1.036 10.678 1.00 0.00 O ATOM 0 H TYR A 73 -6.050 -5.321 11.270 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.173 -2.790 9.745 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.588 -5.351 9.476 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.866 -4.337 8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.223 -4.509 11.377 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.754 -2.179 7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.335 -3.085 12.036 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.863 -0.755 8.504 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.176 -1.234 11.604 1.00 0.00 H new ATOM 1062 N LYS A 74 -7.607 -3.685 7.839 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.684 -4.084 6.941 1.00 0.00 C ATOM 1064 C LYS A 74 -8.272 -3.906 5.483 1.00 0.00 C ATOM 1065 O LYS A 74 -7.417 -3.078 5.167 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.946 -3.267 7.229 1.00 0.00 C ATOM 1067 CG LYS A 74 -9.897 -1.856 6.669 1.00 0.00 C ATOM 1068 CD LYS A 74 -11.240 -1.157 6.801 1.00 0.00 C ATOM 1069 CE LYS A 74 -11.352 -0.411 8.122 1.00 0.00 C ATOM 1070 NZ LYS A 74 -11.919 -1.270 9.198 1.00 0.00 N ATOM 0 H LYS A 74 -7.144 -2.814 7.580 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.895 -5.139 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.808 -3.786 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.098 -3.216 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.134 -1.282 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.605 -1.890 5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.370 -0.458 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.042 -1.891 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.367 -0.055 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.982 0.469 7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.338 -0.670 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.652 -1.889 8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.163 -1.852 9.612 1.00 0.00 H new ATOM 1084 N SER A 75 -8.886 -4.686 4.599 1.00 0.00 N ATOM 1085 CA SER A 75 -8.581 -4.615 3.175 1.00 0.00 C ATOM 1086 C SER A 75 -9.521 -3.645 2.466 1.00 0.00 C ATOM 1087 O SER A 75 -10.587 -4.033 1.987 1.00 0.00 O ATOM 1088 CB SER A 75 -8.687 -6.003 2.540 1.00 0.00 C ATOM 1089 OG SER A 75 -10.004 -6.515 2.652 1.00 0.00 O ATOM 0 H SER A 75 -9.598 -5.374 4.844 1.00 0.00 H new ATOM 0 HA SER A 75 -7.560 -4.250 3.064 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.403 -5.948 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.986 -6.683 3.025 1.00 0.00 H new ATOM 0 HG SER A 75 -10.637 -5.878 2.260 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.117 -2.380 2.402 1.00 0.00 N ATOM 1096 CA VAL A 76 -9.922 -1.353 1.751 1.00 0.00 C ATOM 1097 C VAL A 76 -9.975 -1.571 0.243 1.00 0.00 C ATOM 1098 O VAL A 76 -11.053 -1.621 -0.350 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.370 0.056 2.035 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.511 0.397 3.511 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -7.918 0.159 1.592 1.00 0.00 C ATOM 0 H VAL A 76 -8.238 -2.042 2.793 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.928 -1.431 2.163 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.953 0.778 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.116 1.396 3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.564 0.366 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.955 -0.327 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.544 1.162 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.319 -0.572 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.849 -0.039 0.522 1.00 0.00 H new ATOM 1111 N TYR A 77 -8.805 -1.701 -0.372 1.00 0.00 N ATOM 1112 CA TYR A 77 -8.718 -1.912 -1.812 1.00 0.00 C ATOM 1113 C TYR A 77 -7.818 -3.101 -2.135 1.00 0.00 C ATOM 1114 O TYR A 77 -6.725 -3.235 -1.585 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.187 -0.654 -2.502 1.00 0.00 C ATOM 1116 CG TYR A 77 -7.992 -0.817 -3.992 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -6.788 -1.279 -4.509 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -9.013 -0.511 -4.884 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.605 -1.428 -5.871 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -8.840 -0.659 -6.246 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.634 -1.118 -6.735 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.457 -1.267 -8.091 1.00 0.00 O ATOM 0 H TYR A 77 -7.904 -1.664 0.104 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.720 -2.126 -2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.880 0.168 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.236 -0.375 -2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.981 -1.526 -3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.958 -0.151 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.661 -1.785 -6.256 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.644 -0.417 -6.925 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.788 -0.469 -8.554 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.287 -3.962 -3.033 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.525 -5.140 -3.432 1.00 0.00 C ATOM 1134 C VAL A 78 -7.537 -5.315 -4.946 1.00 0.00 C ATOM 1135 O VAL A 78 -8.525 -5.767 -5.522 1.00 0.00 O ATOM 1136 CB VAL A 78 -8.082 -6.417 -2.775 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -7.318 -7.642 -3.255 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -8.025 -6.304 -1.259 1.00 0.00 C ATOM 0 H VAL A 78 -9.190 -3.866 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.500 -4.983 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.125 -6.531 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.726 -8.534 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.415 -7.730 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.265 -7.540 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.422 -7.215 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.991 -6.165 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.621 -5.451 -0.935 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.429 -4.952 -5.587 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.332 -5.077 -7.029 1.00 0.00 C ATOM 1150 C GLY A 79 -4.896 -5.079 -7.516 1.00 0.00 C ATOM 1151 O GLY A 79 -3.975 -5.345 -6.746 1.00 0.00 O ATOM 0 H GLY A 79 -5.598 -4.574 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.821 -5.999 -7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.871 -4.254 -7.499 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.707 -4.783 -8.798 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.373 -4.755 -9.386 1.00 0.00 C ATOM 1157 C GLU A 80 -2.906 -3.319 -9.607 1.00 0.00 C ATOM 1158 O GLU A 80 -1.721 -3.014 -9.474 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.360 -5.517 -10.712 1.00 0.00 C ATOM 1160 CG GLU A 80 -3.840 -6.954 -10.594 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.311 -7.049 -10.235 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.132 -6.407 -10.923 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -5.640 -7.765 -9.266 1.00 0.00 O ATOM 0 H GLU A 80 -5.460 -4.559 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.687 -5.239 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.989 -4.991 -11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.347 -5.513 -11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.666 -7.470 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.250 -7.469 -9.836 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.846 -2.443 -9.945 1.00 0.00 N ATOM 1171 CA GLU A 81 -3.530 -1.040 -10.186 1.00 0.00 C ATOM 1172 C GLU A 81 -2.526 -0.524 -9.159 1.00 0.00 C ATOM 1173 O GLU A 81 -2.493 -0.987 -8.019 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.804 -0.192 -10.140 1.00 0.00 C ATOM 1175 CG GLU A 81 -5.485 -0.043 -11.490 1.00 0.00 C ATOM 1176 CD GLU A 81 -6.988 0.116 -11.371 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -7.573 -0.467 -10.434 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -7.579 0.822 -12.214 1.00 0.00 O ATOM 0 H GLU A 81 -4.832 -2.679 -10.058 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.084 -0.960 -11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.505 -0.642 -9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.558 0.798 -9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.072 0.823 -12.008 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.263 -0.917 -12.103 1.00 0.00 H new ATOM 1185 N THR A 82 -1.707 0.438 -9.573 1.00 0.00 N ATOM 1186 CA THR A 82 -0.700 1.016 -8.692 1.00 0.00 C ATOM 1187 C THR A 82 -1.270 2.187 -7.899 1.00 0.00 C ATOM 1188 O THR A 82 -1.015 2.323 -6.704 1.00 0.00 O ATOM 1189 CB THR A 82 0.530 1.497 -9.484 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.113 2.246 -10.630 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.384 0.318 -9.925 1.00 0.00 C ATOM 0 H THR A 82 -1.722 0.833 -10.513 1.00 0.00 H new ATOM 0 HA THR A 82 -0.394 0.229 -8.003 1.00 0.00 H new ATOM 0 HB THR A 82 1.128 2.135 -8.832 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.901 2.550 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.247 0.682 -10.483 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.725 -0.233 -9.048 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.793 -0.342 -10.561 1.00 0.00 H new ATOM 1199 N ASN A 83 -2.045 3.031 -8.574 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.652 4.191 -7.932 1.00 0.00 C ATOM 1201 C ASN A 83 -4.172 4.072 -7.919 1.00 0.00 C ATOM 1202 O ASN A 83 -4.811 4.030 -8.971 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.235 5.475 -8.653 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.298 6.553 -8.573 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -3.743 6.858 -7.360 1.00 0.00 O flip ATOM 1206 ND2 ASN A 83 -3.715 7.106 -9.592 1.00 0.00 N flip ATOM 0 H ASN A 83 -2.267 2.933 -9.565 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.300 4.231 -6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.309 5.849 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.027 5.250 -9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.345 6.840 -10.504 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.431 7.830 -9.523 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.746 4.019 -6.721 1.00 0.00 N ATOM 1214 CA ILE A 84 -6.192 3.907 -6.572 1.00 0.00 C ATOM 1215 C ILE A 84 -6.721 4.927 -5.569 1.00 0.00 C ATOM 1216 O ILE A 84 -5.955 5.540 -4.826 1.00 0.00 O ATOM 1217 CB ILE A 84 -6.602 2.495 -6.115 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -6.553 2.393 -4.589 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.698 1.449 -6.750 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -5.197 2.721 -4.006 1.00 0.00 C ATOM 0 H ILE A 84 -4.232 4.052 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.627 4.104 -7.552 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.626 2.308 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.296 3.068 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.833 1.383 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.001 0.456 -6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.779 1.508 -7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.665 1.632 -6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.236 2.628 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.453 2.030 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.923 3.742 -4.273 1.00 0.00 H new ATOM 1232 N THR A 85 -8.039 5.104 -5.553 1.00 0.00 N ATOM 1233 CA THR A 85 -8.672 6.049 -4.642 1.00 0.00 C ATOM 1234 C THR A 85 -9.353 5.326 -3.486 1.00 0.00 C ATOM 1235 O THR A 85 -10.333 4.605 -3.681 1.00 0.00 O ATOM 1236 CB THR A 85 -9.712 6.921 -5.371 1.00 0.00 C ATOM 1237 OG1 THR A 85 -9.063 7.749 -6.342 1.00 0.00 O ATOM 1238 CG2 THR A 85 -10.475 7.791 -4.384 1.00 0.00 C ATOM 0 H THR A 85 -8.688 4.605 -6.161 1.00 0.00 H new ATOM 0 HA THR A 85 -7.881 6.689 -4.251 1.00 0.00 H new ATOM 0 HB THR A 85 -10.420 6.261 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.731 8.299 -6.802 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.204 8.398 -4.922 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.992 7.157 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.777 8.443 -3.858 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.829 5.522 -2.281 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.387 4.889 -1.091 1.00 0.00 C ATOM 1248 C LEU A 86 -10.755 5.473 -0.754 1.00 0.00 C ATOM 1249 O LEU A 86 -11.041 6.628 -1.067 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.439 5.063 0.096 1.00 0.00 C ATOM 1251 CG LEU A 86 -7.018 4.531 -0.096 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -6.148 4.890 1.098 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -7.037 3.025 -0.312 1.00 0.00 C ATOM 0 H LEU A 86 -8.018 6.114 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.508 3.826 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.379 6.125 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.878 4.566 0.961 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.592 4.999 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.141 4.503 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.108 5.974 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.571 4.451 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.017 2.664 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.483 2.539 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.625 2.792 -1.200 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.595 4.668 -0.113 1.00 0.00 N ATOM 1266 CA ASN A 87 -12.933 5.106 0.268 1.00 0.00 C ATOM 1267 C ASN A 87 -13.399 4.393 1.534 1.00 0.00 C ATOM 1268 O ASN A 87 -12.714 3.508 2.048 1.00 0.00 O ATOM 1269 CB ASN A 87 -13.922 4.845 -0.870 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.509 3.671 -1.737 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -12.730 3.949 -2.776 1.00 0.00 O flip ATOM 1272 ND2 ASN A 87 -13.885 2.529 -1.475 1.00 0.00 N flip ATOM 0 H ASN A 87 -11.373 3.709 0.154 1.00 0.00 H new ATOM 0 HA ASN A 87 -12.894 6.177 0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -14.911 4.655 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.004 5.739 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -14.483 2.362 -0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.598 1.749 -2.067 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.566 4.785 2.032 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.125 4.183 3.237 1.00 0.00 C ATOM 1281 C ASP A 88 -14.218 4.430 4.438 1.00 0.00 C ATOM 1282 O ASP A 88 -14.233 3.669 5.407 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.327 2.680 3.035 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.381 2.373 1.989 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -16.130 2.646 0.797 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -17.457 1.860 2.363 1.00 0.00 O ATOM 0 H ASP A 88 -15.144 5.517 1.620 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.091 4.649 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.382 2.226 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.616 2.225 3.982 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.429 5.496 4.368 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.514 5.843 5.450 1.00 0.00 C ATOM 1293 C LEU A 89 -13.182 6.784 6.447 1.00 0.00 C ATOM 1294 O LEU A 89 -14.326 7.199 6.256 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.250 6.494 4.886 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.538 5.724 3.773 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.299 6.476 3.312 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.170 4.324 4.245 1.00 0.00 C ATOM 0 H LEU A 89 -13.404 6.135 3.574 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.242 4.925 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.512 7.482 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.546 6.644 5.705 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.219 5.634 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.805 5.913 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.588 7.457 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.614 6.598 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.664 3.790 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.507 4.393 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.075 3.785 4.525 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.461 7.119 7.511 1.00 0.00 N ATOM 1311 CA LYS A 90 -12.981 8.014 8.538 1.00 0.00 C ATOM 1312 C LYS A 90 -12.292 9.374 8.475 1.00 0.00 C ATOM 1313 O LYS A 90 -11.074 9.487 8.616 1.00 0.00 O ATOM 1314 CB LYS A 90 -12.789 7.398 9.926 1.00 0.00 C ATOM 1315 CG LYS A 90 -13.356 8.246 11.051 1.00 0.00 C ATOM 1316 CD LYS A 90 -14.839 7.984 11.255 1.00 0.00 C ATOM 1317 CE LYS A 90 -15.487 9.075 12.094 1.00 0.00 C ATOM 1318 NZ LYS A 90 -16.970 9.073 11.956 1.00 0.00 N ATOM 0 H LYS A 90 -11.514 6.784 7.685 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.046 8.157 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.263 6.417 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.725 7.242 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.818 8.033 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.200 9.301 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.336 7.925 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.975 7.019 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.219 8.935 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.095 10.046 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.374 9.831 12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.226 9.232 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.346 8.155 12.268 1.00 0.00 H new ATOM 1332 N PRO A 91 -13.088 10.432 8.258 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.576 11.803 8.173 1.00 0.00 C ATOM 1334 C PRO A 91 -12.086 12.323 9.520 1.00 0.00 C ATOM 1335 O PRO A 91 -12.615 11.955 10.568 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.790 12.606 7.699 1.00 0.00 C ATOM 1337 CG PRO A 91 -14.968 11.813 8.150 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.548 10.371 8.080 1.00 0.00 C ATOM 0 HA PRO A 91 -11.714 11.876 7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.797 13.606 8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.786 12.728 6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.257 12.086 9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.831 11.999 7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.023 9.776 8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.818 9.920 7.125 1.00 0.00 H new ATOM 1346 N ALA A 92 -11.073 13.182 9.485 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.513 13.755 10.703 1.00 0.00 C ATOM 1348 C ALA A 92 -9.885 12.676 11.579 1.00 0.00 C ATOM 1349 O ALA A 92 -9.964 12.736 12.805 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.589 14.505 11.475 1.00 0.00 C ATOM 0 H ALA A 92 -10.623 13.497 8.626 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.729 14.457 10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.158 14.928 12.382 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.989 15.307 10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.392 13.817 11.741 1.00 0.00 H new ATOM 1356 N MET A 93 -9.263 11.691 10.940 1.00 0.00 N ATOM 1357 CA MET A 93 -8.620 10.598 11.662 1.00 0.00 C ATOM 1358 C MET A 93 -7.212 10.350 11.132 1.00 0.00 C ATOM 1359 O MET A 93 -6.963 10.458 9.931 1.00 0.00 O ATOM 1360 CB MET A 93 -9.455 9.321 11.546 1.00 0.00 C ATOM 1361 CG MET A 93 -8.874 8.144 12.313 1.00 0.00 C ATOM 1362 SD MET A 93 -9.495 8.043 14.003 1.00 0.00 S ATOM 1363 CE MET A 93 -10.857 6.899 13.795 1.00 0.00 C ATOM 0 H MET A 93 -9.190 11.627 9.925 1.00 0.00 H new ATOM 0 HA MET A 93 -8.548 10.882 12.712 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.462 9.521 11.911 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.545 9.050 10.494 1.00 0.00 H new ATOM 0 HG2 MET A 93 -9.111 7.219 11.787 1.00 0.00 H new ATOM 0 HG3 MET A 93 -7.788 8.229 12.334 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.749 7.305 14.271 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.048 6.750 12.732 1.00 0.00 H new ATOM 0 HE3 MET A 93 -10.603 5.944 14.255 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.295 10.017 12.034 1.00 0.00 N ATOM 1374 CA ASP A 94 -4.912 9.752 11.656 1.00 0.00 C ATOM 1375 C ASP A 94 -4.568 8.279 11.850 1.00 0.00 C ATOM 1376 O ASP A 94 -4.625 7.759 12.964 1.00 0.00 O ATOM 1377 CB ASP A 94 -3.961 10.623 12.479 1.00 0.00 C ATOM 1378 CG ASP A 94 -2.588 10.739 11.845 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -2.480 10.526 10.619 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -1.622 11.044 12.575 1.00 0.00 O ATOM 0 H ASP A 94 -6.485 9.924 13.032 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.796 9.997 10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.391 11.618 12.593 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.862 10.202 13.480 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.212 7.611 10.758 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.862 6.197 10.807 1.00 0.00 C ATOM 1387 C TYR A 95 -2.805 5.860 9.760 1.00 0.00 C ATOM 1388 O TYR A 95 -2.557 6.639 8.839 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.106 5.334 10.587 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.054 5.892 9.550 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -6.811 7.028 9.810 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.192 5.284 8.308 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.678 7.541 8.865 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -7.056 5.790 7.356 1.00 0.00 C ATOM 1395 CZ TYR A 95 -7.797 6.918 7.640 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.659 7.426 6.695 1.00 0.00 O ATOM 0 H TYR A 95 -4.158 8.027 9.828 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.450 5.985 11.794 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.795 4.334 10.283 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.637 5.229 11.533 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.720 7.518 10.768 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.614 4.400 8.083 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.259 8.425 9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.151 5.305 6.396 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.104 8.223 7.053 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.185 4.694 9.908 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.155 4.252 8.975 1.00 0.00 C ATOM 1408 C HIS A 96 -1.757 3.392 7.867 1.00 0.00 C ATOM 1409 O HIS A 96 -2.843 2.834 8.023 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.071 3.466 9.714 1.00 0.00 C ATOM 1411 CG HIS A 96 0.421 4.146 10.954 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.338 4.263 12.099 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.604 4.744 11.226 1.00 0.00 C ATOM 1414 CE1 HIS A 96 0.356 4.906 13.021 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.539 5.209 12.516 1.00 0.00 N ATOM 0 H HIS A 96 -2.378 4.038 10.665 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.707 5.136 8.522 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.463 2.484 9.979 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.771 3.303 9.041 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.444 4.838 10.553 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.015 5.144 14.018 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.283 5.707 13.005 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.045 3.291 6.750 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.509 2.499 5.618 1.00 0.00 C ATOM 1426 C ALA A 97 -0.349 1.778 4.940 1.00 0.00 C ATOM 1427 O ALA A 97 0.703 2.368 4.693 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.239 3.384 4.618 1.00 0.00 C ATOM 0 H ALA A 97 -0.145 3.748 6.605 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.202 1.746 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.580 2.779 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.098 3.849 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.563 4.159 4.256 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.547 0.498 4.642 1.00 0.00 N ATOM 1435 CA LYS A 98 0.482 -0.304 3.992 1.00 0.00 C ATOM 1436 C LYS A 98 -0.078 -1.019 2.766 1.00 0.00 C ATOM 1437 O LYS A 98 -1.293 -1.135 2.604 1.00 0.00 O ATOM 1438 CB LYS A 98 1.056 -1.329 4.974 1.00 0.00 C ATOM 1439 CG LYS A 98 1.360 -0.752 6.346 1.00 0.00 C ATOM 1440 CD LYS A 98 1.306 -1.820 7.425 1.00 0.00 C ATOM 1441 CE LYS A 98 2.256 -1.504 8.570 1.00 0.00 C ATOM 1442 NZ LYS A 98 2.279 -2.591 9.587 1.00 0.00 N ATOM 0 H LYS A 98 -1.411 -0.006 4.841 1.00 0.00 H new ATOM 0 HA LYS A 98 1.278 0.366 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.349 -2.151 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.970 -1.749 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.348 -0.292 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.644 0.036 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.288 -1.902 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.563 -2.788 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.261 -1.353 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.956 -0.569 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.938 -2.338 10.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.325 -2.718 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.590 -3.477 9.141 1.00 0.00 H new ATOM 1456 N VAL A 99 0.815 -1.497 1.905 1.00 0.00 N ATOM 1457 CA VAL A 99 0.410 -2.202 0.695 1.00 0.00 C ATOM 1458 C VAL A 99 1.058 -3.580 0.619 1.00 0.00 C ATOM 1459 O VAL A 99 2.283 -3.700 0.599 1.00 0.00 O ATOM 1460 CB VAL A 99 0.777 -1.403 -0.569 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.249 -1.586 -0.908 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.103 -1.822 -1.737 1.00 0.00 C ATOM 0 H VAL A 99 1.824 -1.409 2.023 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.673 -2.316 0.742 1.00 0.00 H new ATOM 0 HB VAL A 99 0.603 -0.345 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.490 -1.014 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.860 -1.233 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.453 -2.642 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.170 -1.248 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.038 -2.884 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.148 -1.635 -1.491 1.00 0.00 H new ATOM 1472 N GLN A 100 0.228 -4.617 0.577 1.00 0.00 N ATOM 1473 CA GLN A 100 0.721 -5.987 0.503 1.00 0.00 C ATOM 1474 C GLN A 100 0.660 -6.511 -0.929 1.00 0.00 C ATOM 1475 O GLN A 100 -0.393 -6.489 -1.564 1.00 0.00 O ATOM 1476 CB GLN A 100 -0.094 -6.895 1.425 1.00 0.00 C ATOM 1477 CG GLN A 100 0.616 -8.189 1.789 1.00 0.00 C ATOM 1478 CD GLN A 100 -0.346 -9.332 2.044 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -1.555 -9.194 1.855 1.00 0.00 O ATOM 1480 NE2 GLN A 100 0.186 -10.469 2.477 1.00 0.00 N ATOM 0 H GLN A 100 -0.789 -4.535 0.593 1.00 0.00 H new ATOM 0 HA GLN A 100 1.761 -5.990 0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.331 -6.351 2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.041 -7.134 0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.296 -8.465 0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.225 -8.027 2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.194 -10.539 2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.413 -11.273 2.667 1.00 0.00 H new ATOM 1489 N ALA A 101 1.798 -6.980 -1.430 1.00 0.00 N ATOM 1490 CA ALA A 101 1.874 -7.511 -2.785 1.00 0.00 C ATOM 1491 C ALA A 101 1.884 -9.036 -2.778 1.00 0.00 C ATOM 1492 O ALA A 101 2.672 -9.657 -2.065 1.00 0.00 O ATOM 1493 CB ALA A 101 3.111 -6.977 -3.493 1.00 0.00 C ATOM 0 H ALA A 101 2.680 -7.003 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 101 0.988 -7.182 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.155 -7.382 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.062 -5.889 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.003 -7.277 -2.943 1.00 0.00 H new ATOM 1499 N GLU A 102 1.003 -9.633 -3.575 1.00 0.00 N ATOM 1500 CA GLU A 102 0.911 -11.086 -3.658 1.00 0.00 C ATOM 1501 C GLU A 102 0.701 -11.536 -5.101 1.00 0.00 C ATOM 1502 O GLU A 102 0.007 -10.875 -5.875 1.00 0.00 O ATOM 1503 CB GLU A 102 -0.234 -11.597 -2.782 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.608 -11.403 -3.401 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.168 -10.016 -3.155 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -1.586 -9.277 -2.334 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -3.189 -9.668 -3.786 1.00 0.00 O ATOM 0 H GLU A 102 0.344 -9.133 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 102 1.850 -11.505 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.082 -12.658 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.202 -11.083 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.547 -11.581 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.294 -12.145 -2.993 1.00 0.00 H new ATOM 1514 N TYR A 103 1.307 -12.664 -5.457 1.00 0.00 N ATOM 1515 CA TYR A 103 1.189 -13.201 -6.807 1.00 0.00 C ATOM 1516 C TYR A 103 1.141 -14.726 -6.784 1.00 0.00 C ATOM 1517 O TYR A 103 1.789 -15.366 -5.957 1.00 0.00 O ATOM 1518 CB TYR A 103 2.362 -12.730 -7.669 1.00 0.00 C ATOM 1519 CG TYR A 103 2.030 -12.632 -9.141 1.00 0.00 C ATOM 1520 CD1 TYR A 103 1.786 -13.772 -9.897 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.958 -11.397 -9.775 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.483 -13.686 -11.242 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.654 -11.302 -11.120 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.418 -12.449 -11.849 1.00 0.00 C ATOM 1525 OH TYR A 103 1.115 -12.359 -13.188 1.00 0.00 O ATOM 0 H TYR A 103 1.884 -13.223 -4.829 1.00 0.00 H new ATOM 0 HA TYR A 103 0.258 -12.832 -7.238 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.694 -11.754 -7.314 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.197 -13.418 -7.538 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.834 -14.742 -9.425 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.143 -10.497 -9.207 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.298 -14.582 -11.815 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.602 -10.335 -11.598 1.00 0.00 H new ATOM 0 HH TYR A 103 0.221 -11.973 -13.296 1.00 0.00 H new ATOM 1535 N ASN A 104 0.367 -15.300 -7.699 1.00 0.00 N ATOM 1536 CA ASN A 104 0.232 -16.750 -7.785 1.00 0.00 C ATOM 1537 C ASN A 104 -0.079 -17.350 -6.417 1.00 0.00 C ATOM 1538 O ASN A 104 0.475 -18.383 -6.040 1.00 0.00 O ATOM 1539 CB ASN A 104 1.513 -17.370 -8.347 1.00 0.00 C ATOM 1540 CG ASN A 104 1.264 -18.711 -9.008 1.00 0.00 C ATOM 1541 OD1 ASN A 104 0.265 -19.375 -8.734 1.00 0.00 O ATOM 1542 ND2 ASN A 104 2.176 -19.117 -9.885 1.00 0.00 N ATOM 0 H ASN A 104 -0.176 -14.784 -8.391 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.597 -16.973 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.956 -16.687 -9.072 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.237 -17.494 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.063 -20.012 -10.361 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.989 -18.534 -10.082 1.00 0.00 H new ATOM 1549 N SER A 105 -0.968 -16.694 -5.677 1.00 0.00 N ATOM 1550 CA SER A 105 -1.350 -17.160 -4.350 1.00 0.00 C ATOM 1551 C SER A 105 -0.157 -17.130 -3.399 1.00 0.00 C ATOM 1552 O SER A 105 -0.033 -17.977 -2.514 1.00 0.00 O ATOM 1553 CB SER A 105 -1.918 -18.579 -4.428 1.00 0.00 C ATOM 1554 OG SER A 105 -3.285 -18.561 -4.803 1.00 0.00 O ATOM 0 H SER A 105 -1.437 -15.838 -5.975 1.00 0.00 H new ATOM 0 HA SER A 105 -2.118 -16.489 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.347 -19.163 -5.150 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.809 -19.071 -3.462 1.00 0.00 H new ATOM 0 HG SER A 105 -3.624 -19.479 -4.848 1.00 0.00 H new ATOM 1560 N ILE A 106 0.717 -16.148 -3.589 1.00 0.00 N ATOM 1561 CA ILE A 106 1.900 -16.006 -2.748 1.00 0.00 C ATOM 1562 C ILE A 106 1.931 -14.640 -2.071 1.00 0.00 C ATOM 1563 O ILE A 106 2.294 -13.637 -2.686 1.00 0.00 O ATOM 1564 CB ILE A 106 3.194 -16.193 -3.561 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.182 -17.546 -4.275 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.410 -16.078 -2.654 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.175 -17.638 -5.413 1.00 0.00 C ATOM 0 H ILE A 106 0.629 -15.439 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 106 1.843 -16.785 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 106 3.250 -15.406 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.398 -18.332 -3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.180 -17.735 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.317 -16.212 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.423 -15.093 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.362 -16.846 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.111 -18.624 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.947 -16.875 -6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.183 -17.481 -5.030 1.00 0.00 H new ATOM 1579 N LYS A 107 1.551 -14.607 -0.798 1.00 0.00 N ATOM 1580 CA LYS A 107 1.538 -13.366 -0.034 1.00 0.00 C ATOM 1581 C LYS A 107 2.919 -13.068 0.543 1.00 0.00 C ATOM 1582 O LYS A 107 3.479 -13.874 1.285 1.00 0.00 O ATOM 1583 CB LYS A 107 0.509 -13.448 1.095 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.914 -13.663 0.607 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.285 -15.136 0.600 1.00 0.00 C ATOM 1586 CE LYS A 107 -2.274 -15.457 -0.510 1.00 0.00 C ATOM 1587 NZ LYS A 107 -2.346 -16.919 -0.784 1.00 0.00 N ATOM 0 H LYS A 107 1.248 -15.427 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 107 1.263 -12.556 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.781 -14.263 1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.549 -12.529 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.606 -13.116 1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.020 -13.255 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.385 -15.738 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.717 -15.408 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.262 -15.091 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.983 -14.931 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.079 -17.103 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.426 -17.252 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.583 -17.425 0.093 1.00 0.00 H new ATOM 1601 N GLY A 108 3.461 -11.904 0.199 1.00 0.00 N ATOM 1602 CA GLY A 108 4.770 -11.520 0.693 1.00 0.00 C ATOM 1603 C GLY A 108 4.696 -10.766 2.006 1.00 0.00 C ATOM 1604 O GLY A 108 4.233 -11.302 3.014 1.00 0.00 O ATOM 0 H GLY A 108 3.017 -11.220 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.382 -12.413 0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.268 -10.899 -0.052 1.00 0.00 H new ATOM 1608 N THR A 109 5.156 -9.519 1.997 1.00 0.00 N ATOM 1609 CA THR A 109 5.143 -8.691 3.196 1.00 0.00 C ATOM 1610 C THR A 109 4.707 -7.266 2.876 1.00 0.00 C ATOM 1611 O THR A 109 5.124 -6.673 1.881 1.00 0.00 O ATOM 1612 CB THR A 109 6.528 -8.654 3.869 1.00 0.00 C ATOM 1613 OG1 THR A 109 6.939 -9.980 4.218 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.502 -7.781 5.114 1.00 0.00 C ATOM 0 H THR A 109 5.542 -9.060 1.172 1.00 0.00 H new ATOM 0 HA THR A 109 4.426 -9.141 3.883 1.00 0.00 H new ATOM 0 HB THR A 109 7.240 -8.228 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.821 -9.948 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.491 -7.771 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.218 -6.765 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.778 -8.181 5.824 1.00 0.00 H new ATOM 1622 N PRO A 110 3.850 -6.700 3.738 1.00 0.00 N ATOM 1623 CA PRO A 110 3.341 -5.336 3.568 1.00 0.00 C ATOM 1624 C PRO A 110 4.419 -4.282 3.797 1.00 0.00 C ATOM 1625 O PRO A 110 5.058 -4.252 4.848 1.00 0.00 O ATOM 1626 CB PRO A 110 2.251 -5.228 4.638 1.00 0.00 C ATOM 1627 CG PRO A 110 2.644 -6.218 5.680 1.00 0.00 C ATOM 1628 CD PRO A 110 3.312 -7.348 4.946 1.00 0.00 C ATOM 0 HA PRO A 110 2.981 -5.159 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.198 -4.220 5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.268 -5.456 4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.321 -5.771 6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 110 1.772 -6.572 6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.102 -7.804 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.605 -8.139 4.696 1.00 0.00 H new ATOM 1636 N SER A 111 4.615 -3.418 2.806 1.00 0.00 N ATOM 1637 CA SER A 111 5.619 -2.364 2.898 1.00 0.00 C ATOM 1638 C SER A 111 5.442 -1.557 4.180 1.00 0.00 C ATOM 1639 O SER A 111 4.597 -1.877 5.016 1.00 0.00 O ATOM 1640 CB SER A 111 5.530 -1.439 1.683 1.00 0.00 C ATOM 1641 OG SER A 111 4.251 -0.836 1.593 1.00 0.00 O ATOM 0 H SER A 111 4.092 -3.427 1.930 1.00 0.00 H new ATOM 0 HA SER A 111 6.603 -2.833 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.296 -0.666 1.754 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.733 -2.006 0.775 1.00 0.00 H new ATOM 0 HG SER A 111 4.173 -0.131 2.270 1.00 0.00 H new ATOM 1647 N GLU A 112 6.246 -0.508 4.328 1.00 0.00 N ATOM 1648 CA GLU A 112 6.179 0.345 5.508 1.00 0.00 C ATOM 1649 C GLU A 112 4.765 0.882 5.712 1.00 0.00 C ATOM 1650 O GLU A 112 3.873 0.636 4.900 1.00 0.00 O ATOM 1651 CB GLU A 112 7.165 1.508 5.381 1.00 0.00 C ATOM 1652 CG GLU A 112 8.613 1.067 5.248 1.00 0.00 C ATOM 1653 CD GLU A 112 9.000 0.759 3.815 1.00 0.00 C ATOM 1654 OE1 GLU A 112 9.255 1.715 3.052 1.00 0.00 O ATOM 1655 OE2 GLU A 112 9.047 -0.435 3.456 1.00 0.00 O ATOM 0 H GLU A 112 6.951 -0.229 3.645 1.00 0.00 H new ATOM 0 HA GLU A 112 6.449 -0.257 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.896 2.108 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.069 2.152 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.264 1.850 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.777 0.182 5.863 1.00 0.00 H new ATOM 1662 N ALA A 113 4.569 1.617 6.802 1.00 0.00 N ATOM 1663 CA ALA A 113 3.265 2.190 7.113 1.00 0.00 C ATOM 1664 C ALA A 113 3.236 3.684 6.808 1.00 0.00 C ATOM 1665 O ALA A 113 3.813 4.487 7.541 1.00 0.00 O ATOM 1666 CB ALA A 113 2.912 1.940 8.571 1.00 0.00 C ATOM 0 H ALA A 113 5.297 1.830 7.484 1.00 0.00 H new ATOM 0 HA ALA A 113 2.522 1.702 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.936 2.373 8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.883 0.867 8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.664 2.400 9.212 1.00 0.00 H new ATOM 1672 N GLU A 114 2.561 4.049 5.723 1.00 0.00 N ATOM 1673 CA GLU A 114 2.458 5.447 5.322 1.00 0.00 C ATOM 1674 C GLU A 114 1.251 6.114 5.975 1.00 0.00 C ATOM 1675 O GLU A 114 0.109 5.873 5.582 1.00 0.00 O ATOM 1676 CB GLU A 114 2.355 5.558 3.799 1.00 0.00 C ATOM 1677 CG GLU A 114 2.038 6.962 3.311 1.00 0.00 C ATOM 1678 CD GLU A 114 3.285 7.785 3.052 1.00 0.00 C ATOM 1679 OE1 GLU A 114 4.006 7.478 2.079 1.00 0.00 O ATOM 1680 OE2 GLU A 114 3.540 8.735 3.821 1.00 0.00 O ATOM 0 H GLU A 114 2.077 3.396 5.106 1.00 0.00 H new ATOM 0 HA GLU A 114 3.359 5.961 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.295 5.232 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.582 4.876 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.451 6.900 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.420 7.469 4.052 1.00 0.00 H new ATOM 1687 N ILE A 115 1.512 6.951 6.973 1.00 0.00 N ATOM 1688 CA ILE A 115 0.447 7.652 7.680 1.00 0.00 C ATOM 1689 C ILE A 115 -0.038 8.860 6.885 1.00 0.00 C ATOM 1690 O ILE A 115 0.735 9.495 6.167 1.00 0.00 O ATOM 1691 CB ILE A 115 0.909 8.120 9.072 1.00 0.00 C ATOM 1692 CG1 ILE A 115 -0.250 8.779 9.823 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.081 9.082 8.946 1.00 0.00 C ATOM 1694 CD1 ILE A 115 -0.105 8.722 11.328 1.00 0.00 C ATOM 0 H ILE A 115 2.452 7.160 7.310 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.373 6.944 7.797 1.00 0.00 H new ATOM 0 HB ILE A 115 1.238 7.250 9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.328 9.821 9.513 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.182 8.291 9.537 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.396 9.404 9.939 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.911 8.581 8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.777 9.951 8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.962 9.208 11.795 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.058 7.682 11.650 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.809 9.235 11.625 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.322 9.173 7.019 1.00 0.00 N ATOM 1707 CA PHE A 116 -1.911 10.305 6.315 1.00 0.00 C ATOM 1708 C PHE A 116 -3.171 10.793 7.025 1.00 0.00 C ATOM 1709 O PHE A 116 -4.119 10.033 7.223 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.242 9.919 4.872 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.329 8.888 4.762 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -3.023 7.537 4.755 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -4.657 9.271 4.664 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -4.020 6.586 4.654 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -5.659 8.324 4.563 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.340 6.980 4.557 1.00 0.00 C ATOM 0 H PHE A 116 -1.975 8.658 7.609 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.182 11.116 6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.543 10.813 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.341 9.539 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.992 7.223 4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.912 10.320 4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.767 5.536 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -6.691 8.635 4.489 1.00 0.00 H new ATOM 0 HZ PHE A 116 -6.121 6.239 4.477 1.00 0.00 H new ATOM 1726 N THR A 117 -3.172 12.066 7.406 1.00 0.00 N ATOM 1727 CA THR A 117 -4.313 12.656 8.096 1.00 0.00 C ATOM 1728 C THR A 117 -5.404 13.058 7.110 1.00 0.00 C ATOM 1729 O THR A 117 -5.141 13.746 6.123 1.00 0.00 O ATOM 1730 CB THR A 117 -3.897 13.892 8.916 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.826 13.552 9.804 1.00 0.00 O ATOM 1732 CG2 THR A 117 -5.073 14.433 9.714 1.00 0.00 C ATOM 0 H THR A 117 -2.396 12.709 7.249 1.00 0.00 H new ATOM 0 HA THR A 117 -4.701 11.895 8.773 1.00 0.00 H new ATOM 0 HB THR A 117 -3.563 14.665 8.224 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.806 12.581 9.936 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.755 15.305 10.285 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.875 14.718 9.033 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.434 13.664 10.397 1.00 0.00 H new ATOM 1740 N THR A 118 -6.631 12.625 7.382 1.00 0.00 N ATOM 1741 CA THR A 118 -7.762 12.939 6.518 1.00 0.00 C ATOM 1742 C THR A 118 -8.532 14.147 7.040 1.00 0.00 C ATOM 1743 O THR A 118 -8.708 14.310 8.248 1.00 0.00 O ATOM 1744 CB THR A 118 -8.725 11.743 6.396 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.095 11.278 7.699 1.00 0.00 O ATOM 1746 CG2 THR A 118 -8.084 10.610 5.610 1.00 0.00 C ATOM 0 H THR A 118 -6.867 12.055 8.195 1.00 0.00 H new ATOM 0 HA THR A 118 -7.355 13.169 5.533 1.00 0.00 H new ATOM 0 HB THR A 118 -9.616 12.074 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.823 10.627 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.783 9.777 5.537 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.830 10.959 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.179 10.280 6.120 1.00 0.00 H new ATOM 1754 N LEU A 119 -8.991 14.991 6.122 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.744 16.185 6.489 1.00 0.00 C ATOM 1756 C LEU A 119 -11.136 15.817 6.993 1.00 0.00 C ATOM 1757 O LEU A 119 -11.558 14.664 6.897 1.00 0.00 O ATOM 1758 CB LEU A 119 -9.857 17.129 5.291 1.00 0.00 C ATOM 1759 CG LEU A 119 -9.860 16.468 3.913 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.674 17.292 2.927 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.437 16.281 3.407 1.00 0.00 C ATOM 0 H LEU A 119 -8.855 14.870 5.118 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.208 16.690 7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.774 17.708 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.028 17.835 5.331 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.324 15.486 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.665 16.806 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.701 17.373 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.240 18.288 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.459 15.809 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.947 17.252 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.884 15.648 4.101 1.00 0.00 H new ATOM 1773 N SER A 120 -11.846 16.804 7.529 1.00 0.00 N ATOM 1774 CA SER A 120 -13.190 16.584 8.050 1.00 0.00 C ATOM 1775 C SER A 120 -14.244 17.008 7.031 1.00 0.00 C ATOM 1776 O SER A 120 -13.975 17.820 6.145 1.00 0.00 O ATOM 1777 CB SER A 120 -13.387 17.357 9.356 1.00 0.00 C ATOM 1778 OG SER A 120 -13.402 18.755 9.124 1.00 0.00 O ATOM 0 H SER A 120 -11.513 17.764 7.614 1.00 0.00 H new ATOM 0 HA SER A 120 -13.307 15.518 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.323 17.053 9.825 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.586 17.109 10.053 1.00 0.00 H new ATOM 0 HG SER A 120 -13.531 19.226 9.974 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.443 16.453 7.164 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.538 16.772 6.255 1.00 0.00 C ATOM 1786 C CYS A 121 -16.547 18.258 5.914 1.00 0.00 C ATOM 1787 O CYS A 121 -17.044 18.661 4.863 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.877 16.371 6.876 1.00 0.00 C ATOM 1789 SG CYS A 121 -19.289 16.542 5.760 1.00 0.00 S ATOM 0 H CYS A 121 -15.682 15.780 7.892 1.00 0.00 H new ATOM 0 HA CYS A 121 -16.389 16.208 5.334 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -17.815 15.335 7.210 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -18.052 16.981 7.762 1.00 0.00 H new ATOM 0 HG CYS A 121 -19.041 17.472 4.886 1.00 0.00 H new