USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 714 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 4 THR OG1 : rot -37:sc= 0.363 USER MOD Set 1.2: A 76 HIS : no HE2:sc= -0.453 K(o=0.18,f=-1.5) USER MOD Set 1.3: A 82 ASN : amide:sc= 0.271 K(o=0.18,f=-3.2) USER MOD Set 2.1: A 60 SER OG : rot 159:sc= 0.523 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -172:sc= 0.589 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= -0.0393 (180deg=-0.187) USER MOD Single : A 8 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.7!) USER MOD Single : A 9 ASN : amide:sc= -1.29 K(o=-1.3,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= 1.14 (180deg=0.885) USER MOD Single : A 15 LYS NZ :NH3+ -141:sc= 0.513 (180deg=0.0295) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -166:sc= -0.479 (180deg=-0.874) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 168:sc= -1.51 (180deg=-1.7!) USER MOD Single : A 28 GLN : amide:sc= -0.0514 X(o=-0.051,f=-0.051) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0539) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.583 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0198) USER MOD Single : A 53 GLN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.17) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=-0.19) USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0259) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.065 -0.173 -10.629 1.00 0.00 N ATOM 2 CA MET A 1 7.586 1.209 -10.842 1.00 0.00 C ATOM 3 C MET A 1 6.244 1.417 -10.119 1.00 0.00 C ATOM 4 O MET A 1 5.326 0.608 -10.262 1.00 0.00 O ATOM 5 CB MET A 1 7.458 1.522 -12.361 1.00 0.00 C ATOM 6 CG MET A 1 8.789 1.705 -13.109 1.00 0.00 C ATOM 7 SD MET A 1 8.540 2.186 -14.833 1.00 0.00 S ATOM 8 CE MET A 1 10.217 2.494 -15.392 1.00 0.00 C ATOM 0 H1 MET A 1 8.972 -0.306 -11.120 1.00 0.00 H new ATOM 0 H2 MET A 1 8.195 -0.342 -9.611 1.00 0.00 H new ATOM 0 H3 MET A 1 7.366 -0.845 -11.005 1.00 0.00 H new ATOM 0 HA MET A 1 8.316 1.902 -10.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.901 0.714 -12.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.866 2.429 -12.479 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.387 2.464 -12.604 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.356 0.775 -13.071 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.202 2.798 -16.439 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.661 3.287 -14.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.808 1.584 -15.287 1.00 0.00 H new ATOM 18 N SER A 2 6.153 2.508 -9.337 1.00 0.00 N ATOM 19 CA SER A 2 4.959 2.876 -8.541 1.00 0.00 C ATOM 20 C SER A 2 4.763 4.409 -8.582 1.00 0.00 C ATOM 21 O SER A 2 5.315 5.073 -9.463 1.00 0.00 O ATOM 22 CB SER A 2 5.135 2.363 -7.082 1.00 0.00 C ATOM 23 OG SER A 2 5.300 0.956 -7.040 1.00 0.00 O ATOM 0 H SER A 2 6.919 3.173 -9.236 1.00 0.00 H new ATOM 0 HA SER A 2 4.067 2.411 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.001 2.845 -6.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.265 2.646 -6.489 1.00 0.00 H new ATOM 0 HG SER A 2 5.409 0.667 -6.110 1.00 0.00 H new ATOM 29 N LYS A 3 3.964 4.956 -7.638 1.00 0.00 N ATOM 30 CA LYS A 3 3.781 6.411 -7.447 1.00 0.00 C ATOM 31 C LYS A 3 5.108 7.069 -6.997 1.00 0.00 C ATOM 32 O LYS A 3 5.440 8.159 -7.446 1.00 0.00 O ATOM 33 CB LYS A 3 2.624 6.629 -6.422 1.00 0.00 C ATOM 34 CG LYS A 3 2.262 8.096 -6.020 1.00 0.00 C ATOM 35 CD LYS A 3 3.043 8.643 -4.791 1.00 0.00 C ATOM 36 CE LYS A 3 2.996 7.706 -3.553 1.00 0.00 C ATOM 37 NZ LYS A 3 1.612 7.357 -3.141 1.00 0.00 N ATOM 0 H LYS A 3 3.423 4.393 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 3 3.506 6.892 -8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.726 6.164 -6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.879 6.087 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.449 8.749 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.194 8.147 -5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.083 8.803 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.634 9.615 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.544 6.791 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.507 8.188 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.644 6.731 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.092 8.225 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.129 6.871 -3.923 1.00 0.00 H new ATOM 51 N THR A 4 5.831 6.360 -6.092 1.00 0.00 N ATOM 52 CA THR A 4 7.203 6.698 -5.605 1.00 0.00 C ATOM 53 C THR A 4 7.288 8.105 -4.936 1.00 0.00 C ATOM 54 O THR A 4 6.271 8.653 -4.495 1.00 0.00 O ATOM 55 CB THR A 4 8.301 6.531 -6.734 1.00 0.00 C ATOM 56 OG1 THR A 4 8.205 7.587 -7.701 1.00 0.00 O ATOM 57 CG2 THR A 4 8.199 5.165 -7.440 1.00 0.00 C ATOM 0 H THR A 4 5.467 5.508 -5.664 1.00 0.00 H new ATOM 0 HA THR A 4 7.421 5.969 -4.825 1.00 0.00 H new ATOM 0 HB THR A 4 9.272 6.584 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.262 7.812 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.971 5.093 -8.207 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.337 4.367 -6.710 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.217 5.067 -7.903 1.00 0.00 H new ATOM 65 N ALA A 5 8.521 8.661 -4.816 1.00 0.00 N ATOM 66 CA ALA A 5 8.780 9.977 -4.195 1.00 0.00 C ATOM 67 C ALA A 5 9.508 10.937 -5.165 1.00 0.00 C ATOM 68 O ALA A 5 10.022 11.972 -4.732 1.00 0.00 O ATOM 69 CB ALA A 5 9.591 9.776 -2.902 1.00 0.00 C ATOM 0 H ALA A 5 9.367 8.201 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 5 7.824 10.442 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.785 10.744 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.025 9.151 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 5 10.538 9.291 -3.138 1.00 0.00 H new ATOM 75 N LYS A 6 9.527 10.604 -6.481 1.00 0.00 N ATOM 76 CA LYS A 6 10.180 11.439 -7.534 1.00 0.00 C ATOM 77 C LYS A 6 9.385 12.748 -7.766 1.00 0.00 C ATOM 78 O LYS A 6 8.590 12.856 -8.712 1.00 0.00 O ATOM 79 CB LYS A 6 10.336 10.632 -8.872 1.00 0.00 C ATOM 80 CG LYS A 6 11.525 9.643 -8.925 1.00 0.00 C ATOM 81 CD LYS A 6 11.483 8.542 -7.841 1.00 0.00 C ATOM 82 CE LYS A 6 12.697 7.604 -7.909 1.00 0.00 C ATOM 83 NZ LYS A 6 13.976 8.329 -7.752 1.00 0.00 N ATOM 0 H LYS A 6 9.094 9.755 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 6 11.178 11.706 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.416 10.075 -9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.441 11.342 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.546 9.170 -9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.454 10.204 -8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.442 9.007 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.570 7.958 -7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.613 6.847 -7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.695 7.079 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.748 7.645 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.160 8.897 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.921 8.955 -6.924 1.00 0.00 H new ATOM 97 N LEU A 7 9.590 13.721 -6.869 1.00 0.00 N ATOM 98 CA LEU A 7 8.848 14.985 -6.864 1.00 0.00 C ATOM 99 C LEU A 7 9.745 16.051 -6.217 1.00 0.00 C ATOM 100 O LEU A 7 9.721 16.252 -4.998 1.00 0.00 O ATOM 101 CB LEU A 7 7.481 14.792 -6.117 1.00 0.00 C ATOM 102 CG LEU A 7 6.366 15.889 -6.325 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.967 15.295 -6.045 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.592 17.156 -5.460 1.00 0.00 C ATOM 0 H LEU A 7 10.281 13.651 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 7 8.600 15.314 -7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.066 13.831 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.690 14.725 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 7 6.429 16.203 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.209 16.064 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.781 14.466 -6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.923 14.935 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.792 17.872 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.592 16.881 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.551 17.606 -5.718 1.00 0.00 H new ATOM 116 N ASN A 8 10.618 16.650 -7.043 1.00 0.00 N ATOM 117 CA ASN A 8 11.527 17.734 -6.622 1.00 0.00 C ATOM 118 C ASN A 8 10.956 19.060 -7.128 1.00 0.00 C ATOM 119 O ASN A 8 10.490 19.897 -6.345 1.00 0.00 O ATOM 120 CB ASN A 8 12.965 17.509 -7.188 1.00 0.00 C ATOM 121 CG ASN A 8 13.636 16.208 -6.726 1.00 0.00 C ATOM 122 OD1 ASN A 8 12.980 15.195 -6.470 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.957 16.211 -6.639 1.00 0.00 N ATOM 0 H ASN A 8 10.715 16.397 -8.026 1.00 0.00 H new ATOM 0 HA ASN A 8 11.603 17.747 -5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.917 17.511 -8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.593 18.350 -6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.451 15.365 -6.356 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.480 17.059 -6.855 1.00 0.00 H new ATOM 130 N ASN A 9 10.973 19.228 -8.462 1.00 0.00 N ATOM 131 CA ASN A 9 10.413 20.407 -9.136 1.00 0.00 C ATOM 132 C ASN A 9 8.902 20.228 -9.285 1.00 0.00 C ATOM 133 O ASN A 9 8.432 19.686 -10.293 1.00 0.00 O ATOM 134 CB ASN A 9 11.096 20.622 -10.520 1.00 0.00 C ATOM 135 CG ASN A 9 12.540 21.146 -10.454 1.00 0.00 C ATOM 136 OD1 ASN A 9 12.990 21.849 -11.359 1.00 0.00 O ATOM 137 ND2 ASN A 9 13.284 20.808 -9.401 1.00 0.00 N ATOM 0 H ASN A 9 11.378 18.546 -9.103 1.00 0.00 H new ATOM 0 HA ASN A 9 10.605 21.297 -8.536 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.092 19.676 -11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.496 21.324 -11.100 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.248 21.133 -9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.889 20.224 -8.664 1.00 0.00 H new ATOM 144 N GLU A 10 8.160 20.655 -8.244 1.00 0.00 N ATOM 145 CA GLU A 10 6.695 20.532 -8.186 1.00 0.00 C ATOM 146 C GLU A 10 6.032 21.243 -9.389 1.00 0.00 C ATOM 147 O GLU A 10 5.054 20.735 -9.923 1.00 0.00 O ATOM 148 CB GLU A 10 6.163 21.093 -6.842 1.00 0.00 C ATOM 149 CG GLU A 10 4.650 20.890 -6.613 1.00 0.00 C ATOM 150 CD GLU A 10 4.141 21.491 -5.294 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.790 22.691 -5.271 1.00 0.00 O ATOM 152 OE2 GLU A 10 4.104 20.770 -4.275 1.00 0.00 O ATOM 0 H GLU A 10 8.564 21.096 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 10 6.434 19.475 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.707 20.619 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.384 22.159 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.102 21.338 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.429 19.823 -6.625 1.00 0.00 H new ATOM 159 N GLU A 11 6.634 22.390 -9.816 1.00 0.00 N ATOM 160 CA GLU A 11 6.241 23.166 -11.030 1.00 0.00 C ATOM 161 C GLU A 11 5.927 22.246 -12.231 1.00 0.00 C ATOM 162 O GLU A 11 4.860 22.351 -12.835 1.00 0.00 O ATOM 163 CB GLU A 11 7.385 24.151 -11.425 1.00 0.00 C ATOM 164 CG GLU A 11 7.610 25.333 -10.459 1.00 0.00 C ATOM 165 CD GLU A 11 6.449 26.345 -10.469 1.00 0.00 C ATOM 166 OE1 GLU A 11 6.349 27.124 -11.440 1.00 0.00 O ATOM 167 OE2 GLU A 11 5.624 26.347 -9.533 1.00 0.00 O ATOM 0 H GLU A 11 7.419 22.809 -9.318 1.00 0.00 H new ATOM 0 HA GLU A 11 5.335 23.719 -10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.315 23.587 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.170 24.551 -12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.742 24.949 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.534 25.845 -10.728 1.00 0.00 H new ATOM 174 N LYS A 12 6.866 21.318 -12.509 1.00 0.00 N ATOM 175 CA LYS A 12 6.772 20.356 -13.625 1.00 0.00 C ATOM 176 C LYS A 12 5.484 19.522 -13.538 1.00 0.00 C ATOM 177 O LYS A 12 4.676 19.503 -14.479 1.00 0.00 O ATOM 178 CB LYS A 12 8.025 19.422 -13.629 1.00 0.00 C ATOM 179 CG LYS A 12 9.384 20.115 -13.956 1.00 0.00 C ATOM 180 CD LYS A 12 9.749 20.141 -15.471 1.00 0.00 C ATOM 181 CE LYS A 12 8.793 20.969 -16.348 1.00 0.00 C ATOM 182 NZ LYS A 12 9.122 20.855 -17.796 1.00 0.00 N ATOM 0 H LYS A 12 7.719 21.215 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 12 6.740 20.919 -14.558 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.106 18.949 -12.650 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.860 18.626 -14.355 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.353 21.140 -13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.178 19.603 -13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.758 20.539 -15.581 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.768 19.117 -15.844 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.769 20.635 -16.182 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.840 22.016 -16.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.305 21.160 -18.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.940 21.459 -18.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.351 19.866 -18.023 1.00 0.00 H new ATOM 196 N LEU A 13 5.280 18.899 -12.373 1.00 0.00 N ATOM 197 CA LEU A 13 4.165 17.971 -12.153 1.00 0.00 C ATOM 198 C LEU A 13 2.805 18.708 -12.177 1.00 0.00 C ATOM 199 O LEU A 13 1.848 18.223 -12.781 1.00 0.00 O ATOM 200 CB LEU A 13 4.349 17.171 -10.837 1.00 0.00 C ATOM 201 CG LEU A 13 5.574 16.182 -10.797 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.893 16.883 -10.407 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.297 14.970 -9.888 1.00 0.00 C ATOM 0 H LEU A 13 5.881 19.023 -11.558 1.00 0.00 H new ATOM 0 HA LEU A 13 4.166 17.256 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.453 17.880 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.440 16.599 -10.652 1.00 0.00 H new ATOM 0 HG LEU A 13 5.703 15.814 -11.815 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.703 16.154 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.118 17.664 -11.133 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.790 17.327 -9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.165 14.311 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.101 15.314 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.429 14.426 -10.261 1.00 0.00 H new ATOM 215 N VAL A 14 2.753 19.899 -11.557 1.00 0.00 N ATOM 216 CA VAL A 14 1.534 20.735 -11.511 1.00 0.00 C ATOM 217 C VAL A 14 1.076 21.104 -12.928 1.00 0.00 C ATOM 218 O VAL A 14 -0.082 20.903 -13.275 1.00 0.00 O ATOM 219 CB VAL A 14 1.763 22.046 -10.676 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.522 22.985 -10.691 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.168 21.699 -9.237 1.00 0.00 C ATOM 0 H VAL A 14 3.551 20.311 -11.074 1.00 0.00 H new ATOM 0 HA VAL A 14 0.758 20.146 -11.022 1.00 0.00 H new ATOM 0 HB VAL A 14 2.577 22.594 -11.151 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.733 23.876 -10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.298 23.275 -11.717 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.335 22.462 -10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.323 22.618 -8.671 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.378 21.113 -8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.091 21.120 -9.249 1.00 0.00 H new ATOM 231 N LYS A 15 2.019 21.613 -13.740 1.00 0.00 N ATOM 232 CA LYS A 15 1.748 22.078 -15.111 1.00 0.00 C ATOM 233 C LYS A 15 1.362 20.916 -16.052 1.00 0.00 C ATOM 234 O LYS A 15 0.553 21.102 -16.966 1.00 0.00 O ATOM 235 CB LYS A 15 2.967 22.886 -15.625 1.00 0.00 C ATOM 236 CG LYS A 15 3.211 24.172 -14.798 1.00 0.00 C ATOM 237 CD LYS A 15 4.534 24.892 -15.134 1.00 0.00 C ATOM 238 CE LYS A 15 4.774 26.099 -14.205 1.00 0.00 C ATOM 239 NZ LYS A 15 6.128 26.685 -14.366 1.00 0.00 N ATOM 0 H LYS A 15 2.995 21.714 -13.462 1.00 0.00 H new ATOM 0 HA LYS A 15 0.880 22.737 -15.099 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.858 22.259 -15.588 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.808 23.153 -16.670 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.382 24.861 -14.963 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.207 23.917 -13.738 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.364 24.191 -15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.513 25.228 -16.171 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.025 26.864 -14.409 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.638 25.788 -13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.499 26.964 -13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.762 25.981 -14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.073 27.522 -14.981 1.00 0.00 H new ATOM 253 N LYS A 16 1.914 19.718 -15.798 1.00 0.00 N ATOM 254 CA LYS A 16 1.513 18.480 -16.514 1.00 0.00 C ATOM 255 C LYS A 16 0.093 18.038 -16.100 1.00 0.00 C ATOM 256 O LYS A 16 -0.660 17.493 -16.908 1.00 0.00 O ATOM 257 CB LYS A 16 2.520 17.348 -16.230 1.00 0.00 C ATOM 258 CG LYS A 16 2.217 15.989 -16.914 1.00 0.00 C ATOM 259 CD LYS A 16 2.198 16.055 -18.451 1.00 0.00 C ATOM 260 CE LYS A 16 1.852 14.696 -19.081 1.00 0.00 C ATOM 261 NZ LYS A 16 1.901 14.748 -20.559 1.00 0.00 N ATOM 0 H LYS A 16 2.643 19.573 -15.100 1.00 0.00 H new ATOM 0 HA LYS A 16 1.509 18.694 -17.583 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.509 17.680 -16.545 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.565 17.189 -15.153 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.965 15.261 -16.601 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.251 15.624 -16.564 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.470 16.800 -18.773 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.172 16.385 -18.812 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.549 13.940 -18.720 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.856 14.390 -18.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.662 13.813 -20.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.217 15.452 -20.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.858 15.016 -20.865 1.00 0.00 H new ATOM 275 N ALA A 17 -0.250 18.282 -14.829 1.00 0.00 N ATOM 276 CA ALA A 17 -1.594 18.010 -14.297 1.00 0.00 C ATOM 277 C ALA A 17 -2.607 19.026 -14.851 1.00 0.00 C ATOM 278 O ALA A 17 -3.796 18.725 -14.955 1.00 0.00 O ATOM 279 CB ALA A 17 -1.576 18.026 -12.768 1.00 0.00 C ATOM 0 H ALA A 17 0.394 18.673 -14.141 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.904 17.016 -14.620 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.578 17.823 -12.390 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.889 17.262 -12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.248 19.005 -12.418 1.00 0.00 H new ATOM 285 N LEU A 18 -2.113 20.236 -15.207 1.00 0.00 N ATOM 286 CA LEU A 18 -2.915 21.257 -15.910 1.00 0.00 C ATOM 287 C LEU A 18 -3.183 20.797 -17.350 1.00 0.00 C ATOM 288 O LEU A 18 -4.259 21.056 -17.892 1.00 0.00 O ATOM 289 CB LEU A 18 -2.218 22.655 -15.924 1.00 0.00 C ATOM 290 CG LEU A 18 -1.782 23.237 -14.541 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.228 24.674 -14.667 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.909 23.152 -13.498 1.00 0.00 C ATOM 0 H LEU A 18 -1.154 20.527 -15.015 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.854 21.368 -15.368 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.334 22.588 -16.559 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.895 23.368 -16.395 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.966 22.610 -14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.937 25.039 -13.682 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.359 24.673 -15.325 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.997 25.325 -15.083 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.562 23.568 -12.552 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.772 23.718 -13.848 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.193 22.110 -13.354 1.00 0.00 H new ATOM 304 N GLU A 19 -2.175 20.134 -17.966 1.00 0.00 N ATOM 305 CA GLU A 19 -2.293 19.557 -19.321 1.00 0.00 C ATOM 306 C GLU A 19 -3.377 18.464 -19.365 1.00 0.00 C ATOM 307 O GLU A 19 -4.365 18.599 -20.092 1.00 0.00 O ATOM 308 CB GLU A 19 -0.929 18.982 -19.812 1.00 0.00 C ATOM 309 CG GLU A 19 0.204 20.015 -19.959 1.00 0.00 C ATOM 310 CD GLU A 19 -0.085 21.096 -21.014 1.00 0.00 C ATOM 311 OE1 GLU A 19 0.251 20.894 -22.201 1.00 0.00 O ATOM 312 OE2 GLU A 19 -0.642 22.160 -20.665 1.00 0.00 O ATOM 0 H GLU A 19 -1.262 19.986 -17.537 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.587 20.363 -19.993 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.606 18.210 -19.114 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.083 18.496 -20.776 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.374 20.495 -18.995 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.125 19.497 -20.224 1.00 0.00 H new ATOM 319 N ILE A 20 -3.189 17.412 -18.548 1.00 0.00 N ATOM 320 CA ILE A 20 -4.073 16.236 -18.524 1.00 0.00 C ATOM 321 C ILE A 20 -5.458 16.618 -17.984 1.00 0.00 C ATOM 322 O ILE A 20 -6.458 16.367 -18.646 1.00 0.00 O ATOM 323 CB ILE A 20 -3.445 15.055 -17.686 1.00 0.00 C ATOM 324 CG1 ILE A 20 -2.009 14.695 -18.208 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.365 13.802 -17.691 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.928 14.277 -19.673 1.00 0.00 C ATOM 0 H ILE A 20 -2.417 17.355 -17.884 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.187 15.881 -19.548 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.356 15.397 -16.655 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.360 15.558 -18.058 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.611 13.886 -17.595 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.902 13.008 -17.105 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.331 14.058 -17.256 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.508 13.460 -18.716 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.893 14.051 -19.930 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.544 13.392 -19.833 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.289 15.089 -20.304 1.00 0.00 H new ATOM 338 N GLY A 21 -5.491 17.272 -16.812 1.00 0.00 N ATOM 339 CA GLY A 21 -6.744 17.727 -16.195 1.00 0.00 C ATOM 340 C GLY A 21 -7.494 18.737 -17.061 1.00 0.00 C ATOM 341 O GLY A 21 -8.725 18.763 -17.069 1.00 0.00 O ATOM 0 H GLY A 21 -4.657 17.498 -16.270 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.386 16.866 -16.009 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.525 18.177 -15.226 1.00 0.00 H new ATOM 345 N GLY A 22 -6.725 19.556 -17.804 1.00 0.00 N ATOM 346 CA GLY A 22 -7.282 20.554 -18.718 1.00 0.00 C ATOM 347 C GLY A 22 -7.997 19.930 -19.909 1.00 0.00 C ATOM 348 O GLY A 22 -9.173 20.230 -20.156 1.00 0.00 O ATOM 0 H GLY A 22 -5.705 19.540 -17.783 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.980 21.189 -18.173 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.480 21.198 -19.078 1.00 0.00 H new ATOM 352 N LYS A 23 -7.292 19.037 -20.633 1.00 0.00 N ATOM 353 CA LYS A 23 -7.832 18.395 -21.854 1.00 0.00 C ATOM 354 C LYS A 23 -8.957 17.410 -21.511 1.00 0.00 C ATOM 355 O LYS A 23 -9.906 17.268 -22.284 1.00 0.00 O ATOM 356 CB LYS A 23 -6.704 17.723 -22.706 1.00 0.00 C ATOM 357 CG LYS A 23 -5.868 16.603 -22.016 1.00 0.00 C ATOM 358 CD LYS A 23 -6.463 15.180 -22.134 1.00 0.00 C ATOM 359 CE LYS A 23 -5.570 14.117 -21.467 1.00 0.00 C ATOM 360 NZ LYS A 23 -6.124 12.754 -21.618 1.00 0.00 N ATOM 0 H LYS A 23 -6.345 18.742 -20.394 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.265 19.180 -22.474 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.161 17.302 -23.601 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.018 18.503 -23.036 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.867 16.599 -22.447 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.759 16.849 -20.960 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.451 15.162 -21.674 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.597 14.931 -23.187 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.573 14.154 -21.906 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.460 14.349 -20.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.493 12.069 -21.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.065 12.711 -21.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.205 12.522 -22.629 1.00 0.00 H new ATOM 374 N MET A 24 -8.848 16.744 -20.339 1.00 0.00 N ATOM 375 CA MET A 24 -9.898 15.839 -19.836 1.00 0.00 C ATOM 376 C MET A 24 -11.176 16.631 -19.571 1.00 0.00 C ATOM 377 O MET A 24 -12.222 16.267 -20.095 1.00 0.00 O ATOM 378 CB MET A 24 -9.472 15.068 -18.559 1.00 0.00 C ATOM 379 CG MET A 24 -8.436 13.955 -18.780 1.00 0.00 C ATOM 380 SD MET A 24 -8.294 12.807 -17.384 1.00 0.00 S ATOM 381 CE MET A 24 -8.307 13.902 -15.960 1.00 0.00 C ATOM 0 H MET A 24 -8.038 16.819 -19.724 1.00 0.00 H new ATOM 0 HA MET A 24 -10.074 15.090 -20.608 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.067 15.782 -17.842 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.361 14.630 -18.105 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.704 13.394 -19.675 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.463 14.408 -18.967 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.980 13.354 -15.076 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.632 14.739 -16.138 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.317 14.279 -15.800 1.00 0.00 H new ATOM 391 N ALA A 25 -11.049 17.743 -18.805 1.00 0.00 N ATOM 392 CA ALA A 25 -12.169 18.659 -18.489 1.00 0.00 C ATOM 393 C ALA A 25 -12.874 19.114 -19.761 1.00 0.00 C ATOM 394 O ALA A 25 -14.102 19.038 -19.868 1.00 0.00 O ATOM 395 CB ALA A 25 -11.667 19.879 -17.693 1.00 0.00 C ATOM 0 H ALA A 25 -10.163 18.029 -18.389 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.885 18.113 -17.875 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.506 20.539 -17.471 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.213 19.543 -16.761 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.927 20.419 -18.283 1.00 0.00 H new ATOM 401 N LYS A 26 -12.054 19.518 -20.732 1.00 0.00 N ATOM 402 CA LYS A 26 -12.502 19.985 -22.041 1.00 0.00 C ATOM 403 C LYS A 26 -13.426 18.944 -22.701 1.00 0.00 C ATOM 404 O LYS A 26 -14.590 19.260 -22.997 1.00 0.00 O ATOM 405 CB LYS A 26 -11.264 20.310 -22.913 1.00 0.00 C ATOM 406 CG LYS A 26 -11.558 20.977 -24.272 1.00 0.00 C ATOM 407 CD LYS A 26 -10.262 21.528 -24.935 1.00 0.00 C ATOM 408 CE LYS A 26 -9.236 20.435 -25.286 1.00 0.00 C ATOM 409 NZ LYS A 26 -9.715 19.546 -26.366 1.00 0.00 N ATOM 0 H LYS A 26 -11.040 19.529 -20.627 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.089 20.897 -21.931 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.603 20.964 -22.344 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.717 19.385 -23.094 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.028 20.254 -24.938 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.269 21.791 -24.132 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.530 22.068 -25.843 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.797 22.248 -24.261 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.300 20.902 -25.591 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.022 19.841 -24.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.993 18.826 -26.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.595 19.079 -26.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.895 20.107 -27.223 1.00 0.00 H new ATOM 423 N MET A 27 -12.918 17.685 -22.802 1.00 0.00 N ATOM 424 CA MET A 27 -13.650 16.526 -23.379 1.00 0.00 C ATOM 425 C MET A 27 -14.955 16.222 -22.618 1.00 0.00 C ATOM 426 O MET A 27 -15.966 15.876 -23.239 1.00 0.00 O ATOM 427 CB MET A 27 -12.776 15.242 -23.368 1.00 0.00 C ATOM 428 CG MET A 27 -11.515 15.302 -24.242 1.00 0.00 C ATOM 429 SD MET A 27 -10.639 13.720 -24.346 1.00 0.00 S ATOM 430 CE MET A 27 -10.246 13.382 -22.631 1.00 0.00 C ATOM 0 H MET A 27 -11.980 17.446 -22.482 1.00 0.00 H new ATOM 0 HA MET A 27 -13.890 16.808 -24.404 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.477 15.034 -22.341 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.388 14.402 -23.698 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.792 15.622 -25.246 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.839 16.058 -23.841 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.902 12.352 -22.533 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.461 14.060 -22.297 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.136 13.528 -22.018 1.00 0.00 H new ATOM 440 N GLN A 28 -14.902 16.338 -21.273 1.00 0.00 N ATOM 441 CA GLN A 28 -16.075 16.102 -20.402 1.00 0.00 C ATOM 442 C GLN A 28 -17.172 17.137 -20.713 1.00 0.00 C ATOM 443 O GLN A 28 -18.367 16.851 -20.602 1.00 0.00 O ATOM 444 CB GLN A 28 -15.676 16.161 -18.894 1.00 0.00 C ATOM 445 CG GLN A 28 -14.588 15.155 -18.442 1.00 0.00 C ATOM 446 CD GLN A 28 -14.836 13.727 -18.919 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.528 12.953 -18.264 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.253 13.364 -20.056 1.00 0.00 N ATOM 0 H GLN A 28 -14.056 16.595 -20.765 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.461 15.103 -20.604 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.327 17.169 -18.670 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.571 15.993 -18.295 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.620 15.490 -18.814 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.531 15.160 -17.354 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.685 14.034 -20.574 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.374 12.415 -20.411 1.00 0.00 H new ATOM 457 N GLY A 29 -16.733 18.331 -21.130 1.00 0.00 N ATOM 458 CA GLY A 29 -17.616 19.405 -21.562 1.00 0.00 C ATOM 459 C GLY A 29 -17.364 20.662 -20.767 1.00 0.00 C ATOM 460 O GLY A 29 -18.303 21.274 -20.244 1.00 0.00 O ATOM 0 H GLY A 29 -15.743 18.574 -21.175 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.462 19.604 -22.623 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.655 19.097 -21.443 1.00 0.00 H new ATOM 464 N PHE A 30 -16.079 21.050 -20.669 1.00 0.00 N ATOM 465 CA PHE A 30 -15.658 22.236 -19.874 1.00 0.00 C ATOM 466 C PHE A 30 -14.682 23.104 -20.666 1.00 0.00 C ATOM 467 O PHE A 30 -14.205 22.718 -21.735 1.00 0.00 O ATOM 468 CB PHE A 30 -15.007 21.826 -18.515 1.00 0.00 C ATOM 469 CG PHE A 30 -15.941 21.085 -17.550 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.938 21.771 -16.858 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.808 19.714 -17.324 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.775 21.108 -15.983 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.647 19.054 -16.449 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.626 19.752 -15.776 1.00 0.00 C ATOM 0 H PHE A 30 -15.308 20.564 -21.128 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.560 22.809 -19.661 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.143 21.194 -18.719 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.636 22.724 -18.021 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.057 22.834 -17.008 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.037 19.162 -17.841 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.548 21.652 -15.460 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.536 17.991 -16.292 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.278 19.237 -15.086 1.00 0.00 H new ATOM 484 N ASP A 31 -14.412 24.294 -20.120 1.00 0.00 N ATOM 485 CA ASP A 31 -13.406 25.226 -20.628 1.00 0.00 C ATOM 486 C ASP A 31 -12.828 25.959 -19.412 1.00 0.00 C ATOM 487 O ASP A 31 -13.460 26.869 -18.869 1.00 0.00 O ATOM 488 CB ASP A 31 -14.032 26.210 -21.657 1.00 0.00 C ATOM 489 CG ASP A 31 -12.997 27.142 -22.314 1.00 0.00 C ATOM 490 OD1 ASP A 31 -12.127 26.632 -23.049 1.00 0.00 O ATOM 491 OD2 ASP A 31 -13.050 28.377 -22.116 1.00 0.00 O ATOM 0 H ASP A 31 -14.899 24.642 -19.294 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.613 24.700 -21.160 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.541 25.638 -22.433 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.790 26.814 -21.158 1.00 0.00 H new ATOM 496 N LEU A 32 -11.666 25.484 -18.939 1.00 0.00 N ATOM 497 CA LEU A 32 -11.008 26.017 -17.736 1.00 0.00 C ATOM 498 C LEU A 32 -10.399 27.410 -18.023 1.00 0.00 C ATOM 499 O LEU A 32 -9.793 27.598 -19.088 1.00 0.00 O ATOM 500 CB LEU A 32 -9.929 25.021 -17.230 1.00 0.00 C ATOM 501 CG LEU A 32 -10.473 23.619 -16.784 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.326 22.676 -16.372 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.527 23.750 -15.650 1.00 0.00 C ATOM 0 H LEU A 32 -11.155 24.719 -19.380 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.753 26.137 -16.949 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.194 24.873 -18.021 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.405 25.474 -16.389 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.972 23.176 -17.646 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.738 21.713 -16.069 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.652 22.532 -17.216 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.776 23.114 -15.539 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.882 22.759 -15.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.073 24.234 -14.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.367 24.349 -16.001 1.00 0.00 H new ATOM 515 N PRO A 33 -10.589 28.413 -17.091 1.00 0.00 N ATOM 516 CA PRO A 33 -10.070 29.797 -17.258 1.00 0.00 C ATOM 517 C PRO A 33 -8.563 29.864 -17.582 1.00 0.00 C ATOM 518 O PRO A 33 -7.769 29.118 -17.007 1.00 0.00 O ATOM 519 CB PRO A 33 -10.376 30.460 -15.890 1.00 0.00 C ATOM 520 CG PRO A 33 -11.575 29.717 -15.387 1.00 0.00 C ATOM 521 CD PRO A 33 -11.355 28.283 -15.816 1.00 0.00 C ATOM 0 HA PRO A 33 -10.537 30.295 -18.108 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.533 30.368 -15.205 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.583 31.524 -16.000 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.662 29.796 -14.303 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.495 30.119 -15.811 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.796 27.722 -15.067 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.299 27.760 -15.967 1.00 0.00 H new ATOM 529 N GLN A 34 -8.200 30.766 -18.509 1.00 0.00 N ATOM 530 CA GLN A 34 -6.806 30.993 -18.948 1.00 0.00 C ATOM 531 C GLN A 34 -6.156 32.151 -18.158 1.00 0.00 C ATOM 532 O GLN A 34 -5.090 32.651 -18.531 1.00 0.00 O ATOM 533 CB GLN A 34 -6.802 31.278 -20.467 1.00 0.00 C ATOM 534 CG GLN A 34 -7.476 30.174 -21.305 1.00 0.00 C ATOM 535 CD GLN A 34 -7.464 30.440 -22.814 1.00 0.00 C ATOM 536 OE1 GLN A 34 -7.482 31.584 -23.261 1.00 0.00 O ATOM 537 NE2 GLN A 34 -7.426 29.384 -23.613 1.00 0.00 N ATOM 0 H GLN A 34 -8.873 31.368 -18.983 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.212 30.101 -18.748 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.311 32.224 -20.652 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.772 31.399 -20.803 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.974 29.227 -21.110 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.509 30.061 -20.975 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.412 28.444 -23.216 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.411 29.510 -24.625 1.00 0.00 H new ATOM 546 N SER A 35 -6.819 32.534 -17.053 1.00 0.00 N ATOM 547 CA SER A 35 -6.367 33.557 -16.080 1.00 0.00 C ATOM 548 C SER A 35 -4.954 33.205 -15.484 1.00 0.00 C ATOM 549 O SER A 35 -4.589 32.043 -15.545 1.00 0.00 O ATOM 550 CB SER A 35 -7.463 33.625 -14.984 1.00 0.00 C ATOM 551 OG SER A 35 -8.747 33.874 -15.538 1.00 0.00 O ATOM 0 H SER A 35 -7.719 32.127 -16.799 1.00 0.00 H new ATOM 0 HA SER A 35 -6.241 34.528 -16.559 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.482 32.687 -14.430 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.216 34.411 -14.271 1.00 0.00 H new ATOM 0 HG SER A 35 -9.412 33.909 -14.819 1.00 0.00 H new ATOM 557 N PRO A 36 -4.192 34.192 -14.849 1.00 0.00 N ATOM 558 CA PRO A 36 -2.742 34.092 -14.464 1.00 0.00 C ATOM 559 C PRO A 36 -2.094 32.668 -14.469 1.00 0.00 C ATOM 560 O PRO A 36 -1.695 32.188 -15.535 1.00 0.00 O ATOM 561 CB PRO A 36 -2.761 34.759 -13.064 1.00 0.00 C ATOM 562 CG PRO A 36 -3.861 35.801 -13.136 1.00 0.00 C ATOM 563 CD PRO A 36 -4.682 35.521 -14.398 1.00 0.00 C ATOM 0 HA PRO A 36 -2.096 34.567 -15.203 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.962 34.027 -12.282 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.799 35.217 -12.833 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.493 35.752 -12.249 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.436 36.804 -13.170 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.751 35.502 -14.185 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.522 36.286 -15.158 1.00 0.00 H new ATOM 571 N GLN A 37 -2.030 31.989 -13.292 1.00 0.00 N ATOM 572 CA GLN A 37 -1.447 30.626 -13.142 1.00 0.00 C ATOM 573 C GLN A 37 -2.136 29.844 -11.981 1.00 0.00 C ATOM 574 O GLN A 37 -2.738 28.806 -12.255 1.00 0.00 O ATOM 575 CB GLN A 37 0.116 30.640 -12.944 1.00 0.00 C ATOM 576 CG GLN A 37 0.949 30.999 -14.188 1.00 0.00 C ATOM 577 CD GLN A 37 2.453 30.955 -13.929 1.00 0.00 C ATOM 578 OE1 GLN A 37 3.066 31.959 -13.555 1.00 0.00 O ATOM 579 NE2 GLN A 37 3.061 29.792 -14.112 1.00 0.00 N ATOM 0 H GLN A 37 -2.383 32.373 -12.416 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.642 30.110 -14.082 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.356 31.350 -12.153 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.427 29.656 -12.594 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.704 30.308 -14.995 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.673 31.997 -14.528 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.527 28.980 -14.422 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.063 29.708 -13.943 1.00 0.00 H new ATOM 588 N PRO A 38 -2.095 30.316 -10.667 1.00 0.00 N ATOM 589 CA PRO A 38 -2.611 29.502 -9.522 1.00 0.00 C ATOM 590 C PRO A 38 -4.144 29.345 -9.543 1.00 0.00 C ATOM 591 O PRO A 38 -4.684 28.403 -8.978 1.00 0.00 O ATOM 592 CB PRO A 38 -2.124 30.277 -8.278 1.00 0.00 C ATOM 593 CG PRO A 38 -2.025 31.700 -8.733 1.00 0.00 C ATOM 594 CD PRO A 38 -1.592 31.643 -10.185 1.00 0.00 C ATOM 0 HA PRO A 38 -2.247 28.475 -9.551 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.823 30.174 -7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.160 29.904 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.983 32.210 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.303 32.253 -8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.020 32.464 -10.761 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.509 31.717 -10.281 1.00 0.00 H new ATOM 602 N VAL A 39 -4.818 30.289 -10.208 1.00 0.00 N ATOM 603 CA VAL A 39 -6.265 30.229 -10.491 1.00 0.00 C ATOM 604 C VAL A 39 -6.613 29.049 -11.430 1.00 0.00 C ATOM 605 O VAL A 39 -7.660 28.419 -11.272 1.00 0.00 O ATOM 606 CB VAL A 39 -6.755 31.586 -11.116 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.844 32.696 -10.042 1.00 0.00 C ATOM 608 CG2 VAL A 39 -5.829 32.017 -12.276 1.00 0.00 C ATOM 0 H VAL A 39 -4.372 31.131 -10.572 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.782 30.065 -9.546 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.757 31.430 -11.517 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.185 33.622 -10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.549 32.396 -9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.861 32.853 -9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.185 32.958 -12.695 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.814 32.147 -11.902 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.835 31.250 -13.050 1.00 0.00 H new ATOM 618 N ARG A 40 -5.710 28.758 -12.392 1.00 0.00 N ATOM 619 CA ARG A 40 -5.866 27.628 -13.333 1.00 0.00 C ATOM 620 C ARG A 40 -5.602 26.308 -12.618 1.00 0.00 C ATOM 621 O ARG A 40 -6.265 25.307 -12.877 1.00 0.00 O ATOM 622 CB ARG A 40 -4.898 27.745 -14.529 1.00 0.00 C ATOM 623 CG ARG A 40 -5.045 29.036 -15.346 1.00 0.00 C ATOM 624 CD ARG A 40 -4.352 28.951 -16.714 1.00 0.00 C ATOM 625 NE ARG A 40 -4.941 27.875 -17.539 1.00 0.00 N ATOM 626 CZ ARG A 40 -4.845 27.761 -18.866 1.00 0.00 C ATOM 627 NH1 ARG A 40 -4.197 28.665 -19.592 1.00 0.00 N ATOM 628 NH2 ARG A 40 -5.407 26.731 -19.466 1.00 0.00 N ATOM 0 H ARG A 40 -4.856 29.297 -12.537 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.890 27.657 -13.706 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.875 27.679 -14.159 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.053 26.892 -15.190 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.104 29.251 -15.492 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.626 29.869 -14.781 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.445 29.905 -17.233 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.287 28.766 -16.575 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.470 27.153 -17.049 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.760 29.467 -19.137 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.136 28.558 -20.605 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.908 26.032 -18.917 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.341 26.633 -20.479 1.00 0.00 H new ATOM 642 N VAL A 41 -4.592 26.338 -11.738 1.00 0.00 N ATOM 643 CA VAL A 41 -4.228 25.211 -10.874 1.00 0.00 C ATOM 644 C VAL A 41 -5.415 24.841 -9.959 1.00 0.00 C ATOM 645 O VAL A 41 -5.755 23.664 -9.795 1.00 0.00 O ATOM 646 CB VAL A 41 -2.942 25.559 -10.028 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.547 24.405 -9.094 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.757 25.949 -10.949 1.00 0.00 C ATOM 0 H VAL A 41 -3.998 27.157 -11.606 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.995 24.347 -11.496 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.188 26.419 -9.405 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.657 24.683 -8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.366 24.199 -8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.337 23.514 -9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.884 26.184 -10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.523 25.117 -11.613 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.030 26.821 -11.543 1.00 0.00 H new ATOM 658 N LYS A 42 -6.066 25.882 -9.430 1.00 0.00 N ATOM 659 CA LYS A 42 -7.230 25.762 -8.543 1.00 0.00 C ATOM 660 C LYS A 42 -8.442 25.224 -9.347 1.00 0.00 C ATOM 661 O LYS A 42 -9.187 24.386 -8.848 1.00 0.00 O ATOM 662 CB LYS A 42 -7.508 27.147 -7.867 1.00 0.00 C ATOM 663 CG LYS A 42 -8.271 27.112 -6.506 1.00 0.00 C ATOM 664 CD LYS A 42 -9.798 26.881 -6.631 1.00 0.00 C ATOM 665 CE LYS A 42 -10.515 27.997 -7.424 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.317 29.335 -6.812 1.00 0.00 N ATOM 0 H LYS A 42 -5.795 26.849 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.038 25.046 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.553 27.649 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.080 27.759 -8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.846 26.322 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.100 28.053 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.976 25.923 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.233 26.815 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.143 28.009 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.581 27.777 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.909 30.033 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.586 29.301 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.317 29.610 -6.894 1.00 0.00 H new ATOM 680 N ALA A 43 -8.587 25.694 -10.604 1.00 0.00 N ATOM 681 CA ALA A 43 -9.657 25.247 -11.535 1.00 0.00 C ATOM 682 C ALA A 43 -9.553 23.736 -11.858 1.00 0.00 C ATOM 683 O ALA A 43 -10.553 22.998 -11.781 1.00 0.00 O ATOM 684 CB ALA A 43 -9.607 26.080 -12.832 1.00 0.00 C ATOM 0 H ALA A 43 -7.966 26.396 -11.007 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.615 25.405 -11.040 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.394 25.747 -13.509 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.755 27.133 -12.594 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.637 25.949 -13.311 1.00 0.00 H new ATOM 690 N VAL A 44 -8.326 23.292 -12.201 1.00 0.00 N ATOM 691 CA VAL A 44 -8.021 21.879 -12.507 1.00 0.00 C ATOM 692 C VAL A 44 -8.267 20.997 -11.271 1.00 0.00 C ATOM 693 O VAL A 44 -8.803 19.898 -11.397 1.00 0.00 O ATOM 694 CB VAL A 44 -6.539 21.704 -13.026 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.139 20.211 -13.185 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.335 22.460 -14.361 1.00 0.00 C ATOM 0 H VAL A 44 -7.515 23.907 -12.274 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.691 21.560 -13.306 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.885 22.135 -12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.112 20.146 -13.544 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.219 19.708 -12.221 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.805 19.730 -13.902 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.308 22.327 -14.701 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.020 22.065 -15.111 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.533 23.521 -14.212 1.00 0.00 H new ATOM 706 N TYR A 45 -7.893 21.516 -10.090 1.00 0.00 N ATOM 707 CA TYR A 45 -8.153 20.864 -8.795 1.00 0.00 C ATOM 708 C TYR A 45 -9.648 20.585 -8.605 1.00 0.00 C ATOM 709 O TYR A 45 -10.020 19.453 -8.313 1.00 0.00 O ATOM 710 CB TYR A 45 -7.600 21.751 -7.656 1.00 0.00 C ATOM 711 CG TYR A 45 -8.072 21.396 -6.231 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.437 20.413 -5.466 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.159 22.066 -5.656 1.00 0.00 C ATOM 714 CE1 TYR A 45 -7.878 20.114 -4.189 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.598 21.767 -4.391 1.00 0.00 C ATOM 716 CZ TYR A 45 -8.955 20.797 -3.662 1.00 0.00 C ATOM 717 OH TYR A 45 -9.402 20.494 -2.406 1.00 0.00 O ATOM 0 H TYR A 45 -7.399 22.404 -10.006 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.644 19.901 -8.774 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.511 21.701 -7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.876 22.785 -7.861 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.592 19.881 -5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.663 22.836 -6.221 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.382 19.350 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.444 22.291 -3.971 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.166 21.066 -2.184 1.00 0.00 H new ATOM 727 N LEU A 46 -10.488 21.630 -8.789 1.00 0.00 N ATOM 728 CA LEU A 46 -11.955 21.531 -8.615 1.00 0.00 C ATOM 729 C LEU A 46 -12.532 20.450 -9.536 1.00 0.00 C ATOM 730 O LEU A 46 -13.379 19.656 -9.115 1.00 0.00 O ATOM 731 CB LEU A 46 -12.653 22.888 -8.896 1.00 0.00 C ATOM 732 CG LEU A 46 -12.218 24.082 -7.992 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.026 25.354 -8.313 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.293 23.728 -6.490 1.00 0.00 C ATOM 0 H LEU A 46 -10.170 22.560 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.145 21.258 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.469 23.160 -9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.729 22.750 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.172 24.290 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.698 26.167 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.867 25.633 -9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.086 25.163 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.981 24.588 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.317 23.460 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.633 22.886 -6.281 1.00 0.00 H new ATOM 746 N PHE A 47 -12.027 20.431 -10.784 1.00 0.00 N ATOM 747 CA PHE A 47 -12.386 19.412 -11.777 1.00 0.00 C ATOM 748 C PHE A 47 -12.003 17.991 -11.289 1.00 0.00 C ATOM 749 O PHE A 47 -12.829 17.090 -11.346 1.00 0.00 O ATOM 750 CB PHE A 47 -11.727 19.732 -13.160 1.00 0.00 C ATOM 751 CG PHE A 47 -11.710 18.537 -14.128 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.899 17.999 -14.630 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.514 17.908 -14.462 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.883 16.890 -15.453 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.501 16.796 -15.277 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.683 16.279 -15.766 1.00 0.00 C ATOM 0 H PHE A 47 -11.360 21.122 -11.128 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.468 19.433 -11.905 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.264 20.558 -13.626 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.704 20.070 -12.995 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.842 18.457 -14.371 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.583 18.297 -14.077 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.808 16.500 -15.852 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.562 16.328 -15.534 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.671 15.399 -16.392 1.00 0.00 H new ATOM 766 N LEU A 48 -10.752 17.808 -10.830 1.00 0.00 N ATOM 767 CA LEU A 48 -10.218 16.485 -10.435 1.00 0.00 C ATOM 768 C LEU A 48 -10.889 15.933 -9.160 1.00 0.00 C ATOM 769 O LEU A 48 -11.068 14.728 -9.029 1.00 0.00 O ATOM 770 CB LEU A 48 -8.683 16.541 -10.245 1.00 0.00 C ATOM 771 CG LEU A 48 -7.828 16.852 -11.517 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.331 16.885 -11.173 1.00 0.00 C ATOM 773 CD2 LEU A 48 -8.109 15.856 -12.663 1.00 0.00 C ATOM 0 H LEU A 48 -10.081 18.569 -10.721 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.453 15.801 -11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.461 17.298 -9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.355 15.583 -9.841 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.123 17.840 -11.871 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.756 17.103 -12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.146 17.658 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.028 15.917 -10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.493 16.111 -13.526 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.871 14.845 -12.333 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.162 15.908 -12.941 1.00 0.00 H new ATOM 785 N VAL A 49 -11.241 16.822 -8.219 1.00 0.00 N ATOM 786 CA VAL A 49 -11.942 16.434 -6.976 1.00 0.00 C ATOM 787 C VAL A 49 -13.397 16.053 -7.306 1.00 0.00 C ATOM 788 O VAL A 49 -13.948 15.104 -6.740 1.00 0.00 O ATOM 789 CB VAL A 49 -11.920 17.582 -5.896 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.692 17.175 -4.623 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.475 17.982 -5.537 1.00 0.00 C ATOM 0 H VAL A 49 -11.052 17.822 -8.292 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.416 15.579 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.419 18.446 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.656 17.990 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.730 16.962 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.236 16.285 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.492 18.776 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.947 17.117 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.963 18.337 -6.431 1.00 0.00 H new ATOM 801 N ASP A 50 -13.993 16.805 -8.246 1.00 0.00 N ATOM 802 CA ASP A 50 -15.354 16.542 -8.757 1.00 0.00 C ATOM 803 C ASP A 50 -15.399 15.196 -9.503 1.00 0.00 C ATOM 804 O ASP A 50 -16.333 14.406 -9.337 1.00 0.00 O ATOM 805 CB ASP A 50 -15.786 17.695 -9.694 1.00 0.00 C ATOM 806 CG ASP A 50 -17.233 17.569 -10.186 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.162 17.948 -9.441 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.453 17.070 -11.307 1.00 0.00 O ATOM 0 H ASP A 50 -13.546 17.615 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.046 16.487 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.670 18.643 -9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.118 17.723 -10.555 1.00 0.00 H new ATOM 813 N ALA A 51 -14.339 14.953 -10.285 1.00 0.00 N ATOM 814 CA ALA A 51 -14.150 13.739 -11.093 1.00 0.00 C ATOM 815 C ALA A 51 -13.613 12.580 -10.228 1.00 0.00 C ATOM 816 O ALA A 51 -13.421 11.471 -10.730 1.00 0.00 O ATOM 817 CB ALA A 51 -13.189 14.046 -12.254 1.00 0.00 C ATOM 0 H ALA A 51 -13.567 15.613 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.113 13.427 -11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.046 13.148 -12.855 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.610 14.836 -12.876 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.228 14.372 -11.855 1.00 0.00 H new ATOM 823 N LYS A 52 -13.333 12.887 -8.932 1.00 0.00 N ATOM 824 CA LYS A 52 -12.911 11.914 -7.894 1.00 0.00 C ATOM 825 C LYS A 52 -11.523 11.300 -8.200 1.00 0.00 C ATOM 826 O LYS A 52 -11.162 10.254 -7.653 1.00 0.00 O ATOM 827 CB LYS A 52 -14.016 10.832 -7.678 1.00 0.00 C ATOM 828 CG LYS A 52 -15.409 11.424 -7.340 1.00 0.00 C ATOM 829 CD LYS A 52 -15.412 12.262 -6.036 1.00 0.00 C ATOM 830 CE LYS A 52 -16.720 13.049 -5.835 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.913 12.167 -5.820 1.00 0.00 N ATOM 0 H LYS A 52 -13.397 13.840 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.793 12.452 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.098 10.224 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.708 10.167 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.742 12.050 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.129 10.612 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.257 11.600 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.574 12.958 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.668 13.602 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.825 13.784 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.761 12.733 -5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.018 11.710 -6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.797 11.439 -5.087 1.00 0.00 H new ATOM 845 N GLN A 53 -10.752 11.995 -9.067 1.00 0.00 N ATOM 846 CA GLN A 53 -9.352 11.661 -9.408 1.00 0.00 C ATOM 847 C GLN A 53 -8.447 11.849 -8.180 1.00 0.00 C ATOM 848 O GLN A 53 -7.535 11.052 -7.934 1.00 0.00 O ATOM 849 CB GLN A 53 -8.856 12.566 -10.574 1.00 0.00 C ATOM 850 CG GLN A 53 -9.743 12.565 -11.833 1.00 0.00 C ATOM 851 CD GLN A 53 -9.866 11.196 -12.503 1.00 0.00 C ATOM 852 OE1 GLN A 53 -9.067 10.844 -13.372 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.876 10.424 -12.125 1.00 0.00 N ATOM 0 H GLN A 53 -11.094 12.821 -9.559 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.308 10.618 -9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.775 13.589 -10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.852 12.248 -10.857 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.739 12.918 -11.564 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.336 13.276 -12.553 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.520 10.745 -11.402 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.008 9.510 -12.557 1.00 0.00 H new ATOM 862 N ILE A 54 -8.719 12.931 -7.423 1.00 0.00 N ATOM 863 CA ILE A 54 -8.070 13.221 -6.126 1.00 0.00 C ATOM 864 C ILE A 54 -9.128 13.465 -5.053 1.00 0.00 C ATOM 865 O ILE A 54 -10.310 13.690 -5.353 1.00 0.00 O ATOM 866 CB ILE A 54 -7.102 14.470 -6.175 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.829 15.734 -6.736 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.836 14.151 -6.975 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.971 16.990 -6.822 1.00 0.00 C ATOM 0 H ILE A 54 -9.403 13.636 -7.697 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.466 12.345 -5.888 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.801 14.698 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.209 15.504 -7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.693 15.946 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.187 15.027 -6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.310 13.319 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.109 13.880 -7.995 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.566 17.810 -7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.612 17.254 -5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.120 16.805 -7.477 1.00 0.00 H new ATOM 881 N ALA A 55 -8.664 13.433 -3.800 1.00 0.00 N ATOM 882 CA ALA A 55 -9.465 13.750 -2.619 1.00 0.00 C ATOM 883 C ALA A 55 -9.425 15.274 -2.374 1.00 0.00 C ATOM 884 O ALA A 55 -8.440 15.930 -2.751 1.00 0.00 O ATOM 885 CB ALA A 55 -8.920 12.975 -1.403 1.00 0.00 C ATOM 0 H ALA A 55 -7.701 13.181 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.502 13.451 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.518 13.212 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.973 11.904 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.883 13.260 -1.225 1.00 0.00 H new ATOM 891 N PRO A 56 -10.493 15.870 -1.762 1.00 0.00 N ATOM 892 CA PRO A 56 -10.498 17.311 -1.407 1.00 0.00 C ATOM 893 C PRO A 56 -9.530 17.643 -0.250 1.00 0.00 C ATOM 894 O PRO A 56 -8.980 16.752 0.410 1.00 0.00 O ATOM 895 CB PRO A 56 -11.977 17.573 -1.015 1.00 0.00 C ATOM 896 CG PRO A 56 -12.491 16.241 -0.553 1.00 0.00 C ATOM 897 CD PRO A 56 -11.783 15.207 -1.400 1.00 0.00 C ATOM 0 HA PRO A 56 -10.151 17.942 -2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.051 18.321 -0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.551 17.946 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.282 16.088 0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.572 16.175 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.617 14.282 -0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.363 14.949 -2.286 1.00 0.00 H new ATOM 905 N LEU A 57 -9.311 18.939 -0.046 1.00 0.00 N ATOM 906 CA LEU A 57 -8.522 19.477 1.064 1.00 0.00 C ATOM 907 C LEU A 57 -9.479 20.088 2.104 1.00 0.00 C ATOM 908 O LEU A 57 -10.553 20.572 1.725 1.00 0.00 O ATOM 909 CB LEU A 57 -7.545 20.560 0.530 1.00 0.00 C ATOM 910 CG LEU A 57 -6.406 20.051 -0.412 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.682 21.227 -1.114 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.405 19.152 0.367 1.00 0.00 C ATOM 0 H LEU A 57 -9.684 19.663 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.941 18.682 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.125 21.311 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.087 21.060 1.383 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.865 19.444 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.896 20.837 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.398 21.790 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.241 21.883 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.621 18.810 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.958 19.724 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.932 18.291 0.777 1.00 0.00 H new ATOM 924 N PRO A 58 -9.128 20.058 3.432 1.00 0.00 N ATOM 925 CA PRO A 58 -9.857 20.844 4.461 1.00 0.00 C ATOM 926 C PRO A 58 -9.661 22.365 4.239 1.00 0.00 C ATOM 927 O PRO A 58 -8.705 22.770 3.570 1.00 0.00 O ATOM 928 CB PRO A 58 -9.226 20.358 5.795 1.00 0.00 C ATOM 929 CG PRO A 58 -7.871 19.839 5.414 1.00 0.00 C ATOM 930 CD PRO A 58 -8.035 19.240 4.034 1.00 0.00 C ATOM 0 HA PRO A 58 -10.937 20.696 4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.149 21.172 6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.832 19.579 6.258 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.132 20.641 5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.524 19.091 6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.115 19.309 3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.303 18.185 4.083 1.00 0.00 H new ATOM 938 N ASP A 59 -10.561 23.181 4.815 1.00 0.00 N ATOM 939 CA ASP A 59 -10.581 24.655 4.627 1.00 0.00 C ATOM 940 C ASP A 59 -9.246 25.314 5.037 1.00 0.00 C ATOM 941 O ASP A 59 -8.791 26.271 4.396 1.00 0.00 O ATOM 942 CB ASP A 59 -11.757 25.270 5.428 1.00 0.00 C ATOM 943 CG ASP A 59 -13.135 24.805 4.917 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.630 23.752 5.382 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.716 25.479 4.042 1.00 0.00 O ATOM 0 H ASP A 59 -11.302 22.841 5.429 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.721 24.852 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.655 25.001 6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.701 26.357 5.370 1.00 0.00 H new ATOM 950 N SER A 60 -8.622 24.760 6.088 1.00 0.00 N ATOM 951 CA SER A 60 -7.325 25.226 6.609 1.00 0.00 C ATOM 952 C SER A 60 -6.186 24.981 5.585 1.00 0.00 C ATOM 953 O SER A 60 -5.231 25.759 5.512 1.00 0.00 O ATOM 954 CB SER A 60 -7.033 24.508 7.950 1.00 0.00 C ATOM 955 OG SER A 60 -5.789 24.898 8.508 1.00 0.00 O ATOM 0 H SER A 60 -9.006 23.969 6.605 1.00 0.00 H new ATOM 0 HA SER A 60 -7.374 26.302 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.832 24.727 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.035 23.430 7.791 1.00 0.00 H new ATOM 0 HG SER A 60 -5.787 24.706 9.469 1.00 0.00 H new ATOM 961 N LYS A 61 -6.299 23.878 4.804 1.00 0.00 N ATOM 962 CA LYS A 61 -5.287 23.473 3.787 1.00 0.00 C ATOM 963 C LYS A 61 -5.763 23.799 2.366 1.00 0.00 C ATOM 964 O LYS A 61 -5.122 23.406 1.395 1.00 0.00 O ATOM 965 CB LYS A 61 -4.931 21.950 3.905 1.00 0.00 C ATOM 966 CG LYS A 61 -3.997 21.595 5.093 1.00 0.00 C ATOM 967 CD LYS A 61 -4.631 21.870 6.478 1.00 0.00 C ATOM 968 CE LYS A 61 -3.602 21.925 7.613 1.00 0.00 C ATOM 969 NZ LYS A 61 -4.224 22.345 8.896 1.00 0.00 N ATOM 0 H LYS A 61 -7.094 23.241 4.859 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.384 24.050 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.855 21.381 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.456 21.628 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.725 20.541 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.074 22.168 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.173 22.815 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.362 21.092 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.141 20.945 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.805 22.621 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.481 22.502 9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.757 23.226 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.869 21.601 9.229 1.00 0.00 H new ATOM 983 N LEU A 62 -6.886 24.520 2.245 1.00 0.00 N ATOM 984 CA LEU A 62 -7.387 24.978 0.938 1.00 0.00 C ATOM 985 C LEU A 62 -6.632 26.270 0.586 1.00 0.00 C ATOM 986 O LEU A 62 -7.077 27.378 0.909 1.00 0.00 O ATOM 987 CB LEU A 62 -8.943 25.171 0.964 1.00 0.00 C ATOM 988 CG LEU A 62 -9.710 24.928 -0.387 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.304 25.930 -1.495 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.538 23.466 -0.857 1.00 0.00 C ATOM 0 H LEU A 62 -7.466 24.800 3.036 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.203 24.231 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.356 24.498 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.154 26.187 1.296 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.767 25.105 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.865 25.714 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.524 26.946 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.237 25.837 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.076 23.319 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.480 23.255 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.937 22.791 -0.100 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.467 26.086 -0.042 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.494 27.153 -0.333 1.00 0.00 C ATOM 1004 C ASP A 63 -3.708 26.788 -1.590 1.00 0.00 C ATOM 1005 O ASP A 63 -3.455 25.609 -1.810 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.538 27.334 0.881 1.00 0.00 C ATOM 1007 CG ASP A 63 -2.271 28.156 0.569 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -2.375 29.388 0.438 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -1.173 27.564 0.415 1.00 0.00 O ATOM 0 H ASP A 63 -5.163 25.170 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.015 28.095 -0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.083 27.820 1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.240 26.351 1.244 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.266 27.822 -2.341 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.647 27.686 -3.666 1.00 0.00 C ATOM 1016 C GLY A 64 -1.553 26.621 -3.766 1.00 0.00 C ATOM 1017 O GLY A 64 -1.579 25.804 -4.683 1.00 0.00 O ATOM 0 H GLY A 64 -3.334 28.791 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.426 27.453 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.223 28.648 -3.952 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.629 26.592 -2.793 1.00 0.00 N ATOM 1022 CA ALA A 65 0.506 25.638 -2.799 1.00 0.00 C ATOM 1023 C ALA A 65 0.035 24.203 -2.518 1.00 0.00 C ATOM 1024 O ALA A 65 0.553 23.254 -3.099 1.00 0.00 O ATOM 1025 CB ALA A 65 1.564 26.069 -1.782 1.00 0.00 C ATOM 0 H ALA A 65 -0.640 27.218 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 65 0.950 25.648 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.392 25.360 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.932 27.062 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.123 26.092 -0.786 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.960 24.065 -1.626 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.542 22.749 -1.253 1.00 0.00 C ATOM 1033 C ASN A 66 -2.362 22.162 -2.421 1.00 0.00 C ATOM 1034 O ASN A 66 -2.419 20.937 -2.602 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.423 22.892 0.008 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.641 23.362 1.240 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.164 22.549 2.029 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.487 24.668 1.410 1.00 0.00 N ATOM 0 H ASN A 66 -1.387 24.854 -1.141 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.725 22.062 -1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.227 23.600 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.891 21.932 0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.962 25.020 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.893 25.321 0.740 1.00 0.00 H new ATOM 1045 N ILE A 67 -3.009 23.061 -3.189 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.686 22.735 -4.457 1.00 0.00 C ATOM 1047 C ILE A 67 -2.670 22.149 -5.469 1.00 0.00 C ATOM 1048 O ILE A 67 -2.897 21.085 -6.055 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.350 24.022 -5.088 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.404 24.679 -4.136 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.973 23.709 -6.456 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.628 23.843 -3.849 1.00 0.00 C ATOM 0 H ILE A 67 -3.076 24.048 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.462 22.000 -4.242 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.550 24.749 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.917 24.915 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.725 25.624 -4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.423 24.613 -6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.200 23.348 -7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.740 22.943 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.293 24.389 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.148 23.627 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.327 22.908 -3.377 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.547 22.879 -5.639 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.431 22.480 -6.520 1.00 0.00 C ATOM 1066 C LYS A 68 0.122 21.110 -6.111 1.00 0.00 C ATOM 1067 O LYS A 68 0.411 20.266 -6.959 1.00 0.00 O ATOM 1068 CB LYS A 68 0.699 23.548 -6.456 1.00 0.00 C ATOM 1069 CG LYS A 68 0.308 24.925 -7.025 1.00 0.00 C ATOM 1070 CD LYS A 68 1.389 26.001 -6.831 1.00 0.00 C ATOM 1071 CE LYS A 68 0.953 27.367 -7.380 1.00 0.00 C ATOM 1072 NZ LYS A 68 1.993 28.409 -7.178 1.00 0.00 N ATOM 0 H LYS A 68 -1.389 23.768 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.805 22.409 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.006 23.672 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.565 23.176 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.097 24.822 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.614 25.258 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.620 26.095 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.306 25.687 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.733 27.276 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.030 27.677 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.657 29.315 -7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.185 28.515 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.866 28.127 -7.668 1.00 0.00 H new ATOM 1086 N HIS A 69 0.215 20.907 -4.795 1.00 0.00 N ATOM 1087 CA HIS A 69 0.730 19.674 -4.195 1.00 0.00 C ATOM 1088 C HIS A 69 -0.215 18.487 -4.496 1.00 0.00 C ATOM 1089 O HIS A 69 0.240 17.381 -4.781 1.00 0.00 O ATOM 1090 CB HIS A 69 0.914 19.890 -2.678 1.00 0.00 C ATOM 1091 CG HIS A 69 1.744 18.835 -1.992 1.00 0.00 C ATOM 1092 ND1 HIS A 69 1.259 18.015 -1.001 1.00 0.00 N ATOM 1093 CD2 HIS A 69 3.047 18.489 -2.155 1.00 0.00 C ATOM 1094 CE1 HIS A 69 2.218 17.217 -0.586 1.00 0.00 C ATOM 1095 NE2 HIS A 69 3.313 17.478 -1.269 1.00 0.00 N ATOM 0 H HIS A 69 -0.069 21.604 -4.107 1.00 0.00 H new ATOM 0 HA HIS A 69 1.699 19.428 -4.630 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.379 20.862 -2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.068 19.924 -2.207 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.744 18.929 -2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.123 16.470 0.188 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.210 17.006 -1.157 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.537 18.751 -4.464 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.582 17.769 -4.848 1.00 0.00 C ATOM 1106 C ARG A 70 -2.379 17.283 -6.291 1.00 0.00 C ATOM 1107 O ARG A 70 -2.315 16.069 -6.550 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.014 18.385 -4.687 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.686 18.131 -3.326 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.877 16.628 -3.058 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.756 16.378 -1.901 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.486 15.548 -0.890 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.294 14.970 -0.780 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.411 15.318 0.026 1.00 0.00 N ATOM 0 H ARG A 70 -1.915 19.652 -4.171 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.492 16.914 -4.178 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.950 19.461 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.655 17.984 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.079 18.568 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.654 18.632 -3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.300 16.153 -3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.906 16.165 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.643 16.880 -1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.570 15.158 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.103 14.338 -0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.321 15.773 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.214 14.686 0.802 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.247 18.254 -7.208 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.105 17.985 -8.646 1.00 0.00 C ATOM 1130 C LEU A 71 -0.771 17.275 -8.945 1.00 0.00 C ATOM 1131 O LEU A 71 -0.696 16.418 -9.838 1.00 0.00 O ATOM 1132 CB LEU A 71 -2.202 19.306 -9.450 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.463 20.198 -9.197 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.619 21.273 -10.288 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.746 19.359 -9.064 1.00 0.00 C ATOM 0 H LEU A 71 -2.236 19.247 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.917 17.325 -8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.316 19.902 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.168 19.060 -10.511 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.306 20.704 -8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.504 21.875 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.738 21.915 -10.295 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.726 20.792 -11.260 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.596 20.019 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.908 18.794 -9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.644 18.669 -8.226 1.00 0.00 H new ATOM 1147 N ALA A 72 0.254 17.641 -8.158 1.00 0.00 N ATOM 1148 CA ALA A 72 1.604 17.090 -8.269 1.00 0.00 C ATOM 1149 C ALA A 72 1.605 15.579 -7.986 1.00 0.00 C ATOM 1150 O ALA A 72 2.045 14.803 -8.830 1.00 0.00 O ATOM 1151 CB ALA A 72 2.563 17.835 -7.330 1.00 0.00 C ATOM 0 H ALA A 72 0.161 18.338 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 72 1.953 17.232 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.564 17.414 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.587 18.891 -7.598 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.220 17.730 -6.301 1.00 0.00 H new ATOM 1157 N LEU A 73 1.065 15.174 -6.811 1.00 0.00 N ATOM 1158 CA LEU A 73 0.988 13.743 -6.411 1.00 0.00 C ATOM 1159 C LEU A 73 0.016 12.938 -7.296 1.00 0.00 C ATOM 1160 O LEU A 73 0.215 11.723 -7.482 1.00 0.00 O ATOM 1161 CB LEU A 73 0.620 13.563 -4.909 1.00 0.00 C ATOM 1162 CG LEU A 73 1.789 13.791 -3.891 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.114 15.276 -3.698 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.504 13.095 -2.545 1.00 0.00 C ATOM 0 H LEU A 73 0.675 15.817 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 73 1.991 13.344 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.188 14.253 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.231 12.555 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 73 2.678 13.331 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.931 15.380 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.410 15.711 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.233 15.795 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.334 13.272 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.587 13.497 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.390 12.023 -2.707 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.023 13.611 -7.825 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.994 12.988 -8.748 1.00 0.00 C ATOM 1178 C TRP A 74 -1.291 12.476 -10.010 1.00 0.00 C ATOM 1179 O TRP A 74 -1.325 11.276 -10.317 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.099 13.994 -9.153 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.056 13.451 -10.196 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.946 12.425 -10.048 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.183 13.895 -11.552 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.614 12.213 -11.224 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.171 13.103 -12.158 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.556 14.890 -12.306 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.548 13.273 -13.481 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.935 15.066 -13.618 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.923 14.258 -14.194 1.00 0.00 C ATOM 0 H TRP A 74 -1.213 14.593 -7.628 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.452 12.149 -8.224 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.664 14.278 -8.265 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.631 14.901 -9.537 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.100 11.864 -9.138 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.329 11.502 -11.377 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.788 15.510 -11.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.307 12.651 -13.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.464 15.837 -14.210 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.198 14.417 -15.226 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.656 13.414 -10.727 1.00 0.00 N ATOM 1201 CA ILE A 75 0.019 13.124 -11.993 1.00 0.00 C ATOM 1202 C ILE A 75 1.294 12.286 -11.743 1.00 0.00 C ATOM 1203 O ILE A 75 1.768 11.598 -12.632 1.00 0.00 O ATOM 1204 CB ILE A 75 0.352 14.449 -12.769 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.713 14.177 -14.264 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.475 15.230 -12.061 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.382 13.502 -15.077 1.00 0.00 C ATOM 0 H ILE A 75 -0.598 14.392 -10.444 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.656 12.538 -12.618 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.548 15.063 -12.765 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.966 15.125 -14.739 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.607 13.554 -14.299 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.689 16.143 -12.616 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.159 15.485 -11.050 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.373 14.615 -12.016 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.037 13.356 -16.101 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.622 12.536 -14.633 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.273 14.131 -15.080 1.00 0.00 H new ATOM 1219 N HIS A 76 1.815 12.355 -10.507 1.00 0.00 N ATOM 1220 CA HIS A 76 2.962 11.553 -10.057 1.00 0.00 C ATOM 1221 C HIS A 76 2.585 10.054 -10.003 1.00 0.00 C ATOM 1222 O HIS A 76 3.406 9.182 -10.312 1.00 0.00 O ATOM 1223 CB HIS A 76 3.406 12.063 -8.664 1.00 0.00 C ATOM 1224 CG HIS A 76 4.720 11.563 -8.182 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.021 11.429 -6.854 1.00 0.00 N ATOM 1226 CD2 HIS A 76 5.822 11.186 -8.854 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.246 10.995 -6.734 1.00 0.00 C ATOM 1228 NE2 HIS A 76 6.761 10.827 -7.933 1.00 0.00 N ATOM 0 H HIS A 76 1.447 12.976 -9.786 1.00 0.00 H new ATOM 0 HA HIS A 76 3.788 11.659 -10.761 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.440 13.152 -8.690 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.644 11.786 -7.936 1.00 0.00 H new ATOM 0 HD1 HIS A 76 4.389 11.635 -6.081 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.941 11.170 -9.927 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.755 10.804 -5.801 1.00 0.00 H new ATOM 1237 N ALA A 77 1.339 9.782 -9.578 1.00 0.00 N ATOM 1238 CA ALA A 77 0.748 8.431 -9.625 1.00 0.00 C ATOM 1239 C ALA A 77 0.360 8.045 -11.073 1.00 0.00 C ATOM 1240 O ALA A 77 0.477 6.882 -11.469 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.480 8.362 -8.698 1.00 0.00 C ATOM 0 H ALA A 77 0.714 10.490 -9.193 1.00 0.00 H new ATOM 0 HA ALA A 77 1.493 7.715 -9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.911 7.361 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.177 8.586 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.223 9.090 -9.024 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.093 9.056 -11.849 1.00 0.00 N ATOM 1248 CA ALA A 78 -0.542 8.880 -13.251 1.00 0.00 C ATOM 1249 C ALA A 78 0.646 8.714 -14.228 1.00 0.00 C ATOM 1250 O ALA A 78 0.452 8.301 -15.378 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.438 10.058 -13.673 1.00 0.00 C ATOM 0 H ALA A 78 -0.158 10.019 -11.521 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.122 7.958 -13.298 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.762 9.918 -14.704 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.311 10.103 -13.022 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.877 10.989 -13.592 1.00 0.00 H new ATOM 1257 N LEU A 79 1.864 9.078 -13.777 1.00 0.00 N ATOM 1258 CA LEU A 79 3.127 8.783 -14.484 1.00 0.00 C ATOM 1259 C LEU A 79 3.810 7.596 -13.769 1.00 0.00 C ATOM 1260 O LEU A 79 4.508 7.808 -12.774 1.00 0.00 O ATOM 1261 CB LEU A 79 4.076 10.027 -14.507 1.00 0.00 C ATOM 1262 CG LEU A 79 3.549 11.298 -15.249 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.575 12.459 -15.177 1.00 0.00 C ATOM 1264 CD2 LEU A 79 3.147 10.978 -16.708 1.00 0.00 C ATOM 0 H LEU A 79 2.000 9.589 -12.905 1.00 0.00 H new ATOM 0 HA LEU A 79 2.910 8.530 -15.522 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.300 10.303 -13.477 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.017 9.729 -14.969 1.00 0.00 H new ATOM 0 HG LEU A 79 2.647 11.629 -14.734 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.179 13.328 -15.702 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.759 12.718 -14.134 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.510 12.148 -15.644 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.785 11.885 -17.193 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.013 10.598 -17.249 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.358 10.226 -16.711 1.00 0.00 H new ATOM 1276 N PRO A 80 3.596 6.319 -14.242 1.00 0.00 N ATOM 1277 CA PRO A 80 4.208 5.122 -13.616 1.00 0.00 C ATOM 1278 C PRO A 80 5.732 5.068 -13.853 1.00 0.00 C ATOM 1279 O PRO A 80 6.472 4.494 -13.055 1.00 0.00 O ATOM 1280 CB PRO A 80 3.468 3.943 -14.302 1.00 0.00 C ATOM 1281 CG PRO A 80 3.062 4.481 -15.640 1.00 0.00 C ATOM 1282 CD PRO A 80 2.741 5.943 -15.411 1.00 0.00 C ATOM 0 HA PRO A 80 4.104 5.109 -12.531 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.117 3.073 -14.404 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.601 3.627 -13.722 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.864 4.365 -16.369 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.196 3.946 -16.031 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.976 6.546 -16.288 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.683 6.091 -15.196 1.00 0.00 H new ATOM 1290 N ASP A 81 6.175 5.708 -14.952 1.00 0.00 N ATOM 1291 CA ASP A 81 7.599 5.820 -15.327 1.00 0.00 C ATOM 1292 C ASP A 81 8.358 6.716 -14.328 1.00 0.00 C ATOM 1293 O ASP A 81 9.508 6.422 -13.966 1.00 0.00 O ATOM 1294 CB ASP A 81 7.705 6.396 -16.766 1.00 0.00 C ATOM 1295 CG ASP A 81 9.158 6.555 -17.263 1.00 0.00 C ATOM 1296 OD1 ASP A 81 9.768 5.544 -17.669 1.00 0.00 O ATOM 1297 OD2 ASP A 81 9.696 7.683 -17.242 1.00 0.00 O ATOM 0 H ASP A 81 5.548 6.167 -15.612 1.00 0.00 H new ATOM 0 HA ASP A 81 8.055 4.830 -15.300 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.165 5.742 -17.451 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.211 7.367 -16.797 1.00 0.00 H new ATOM 1302 N ASN A 82 7.671 7.793 -13.883 1.00 0.00 N ATOM 1303 CA ASN A 82 8.228 8.825 -12.976 1.00 0.00 C ATOM 1304 C ASN A 82 9.425 9.538 -13.623 1.00 0.00 C ATOM 1305 O ASN A 82 10.538 9.571 -13.087 1.00 0.00 O ATOM 1306 CB ASN A 82 8.562 8.231 -11.571 1.00 0.00 C ATOM 1307 CG ASN A 82 7.304 7.914 -10.779 1.00 0.00 C ATOM 1308 OD1 ASN A 82 6.909 8.657 -9.898 1.00 0.00 O ATOM 1309 ND2 ASN A 82 6.636 6.838 -11.124 1.00 0.00 N ATOM 0 H ASN A 82 6.702 7.973 -14.147 1.00 0.00 H new ATOM 0 HA ASN A 82 7.463 9.584 -12.811 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.154 7.324 -11.691 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.174 8.940 -11.013 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.763 6.606 -10.651 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.990 6.234 -11.865 1.00 0.00 H new ATOM 1316 N ASP A 83 9.152 10.077 -14.815 1.00 0.00 N ATOM 1317 CA ASP A 83 10.078 10.937 -15.565 1.00 0.00 C ATOM 1318 C ASP A 83 10.171 12.306 -14.841 1.00 0.00 C ATOM 1319 O ASP A 83 9.158 12.758 -14.307 1.00 0.00 O ATOM 1320 CB ASP A 83 9.525 11.099 -17.014 1.00 0.00 C ATOM 1321 CG ASP A 83 10.529 11.714 -18.008 1.00 0.00 C ATOM 1322 OD1 ASP A 83 10.627 12.960 -18.098 1.00 0.00 O ATOM 1323 OD2 ASP A 83 11.230 10.951 -18.706 1.00 0.00 O ATOM 0 H ASP A 83 8.265 9.926 -15.296 1.00 0.00 H new ATOM 0 HA ASP A 83 11.077 10.504 -15.617 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.216 10.121 -17.385 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.633 11.724 -16.983 1.00 0.00 H new ATOM 1328 N PRO A 84 11.369 12.986 -14.797 1.00 0.00 N ATOM 1329 CA PRO A 84 11.513 14.346 -14.173 1.00 0.00 C ATOM 1330 C PRO A 84 10.859 15.494 -14.994 1.00 0.00 C ATOM 1331 O PRO A 84 10.983 16.671 -14.625 1.00 0.00 O ATOM 1332 CB PRO A 84 13.051 14.511 -14.081 1.00 0.00 C ATOM 1333 CG PRO A 84 13.575 13.699 -15.224 1.00 0.00 C ATOM 1334 CD PRO A 84 12.683 12.483 -15.289 1.00 0.00 C ATOM 0 HA PRO A 84 10.997 14.411 -13.215 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.345 15.557 -14.167 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.434 14.150 -13.127 1.00 0.00 H new ATOM 0 HG2 PRO A 84 13.540 14.263 -16.156 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.615 13.416 -15.062 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.609 12.094 -16.305 1.00 0.00 H new ATOM 0 HD3 PRO A 84 13.062 11.674 -14.665 1.00 0.00 H new ATOM 1342 N LEU A 85 10.178 15.122 -16.108 1.00 0.00 N ATOM 1343 CA LEU A 85 9.380 16.027 -16.976 1.00 0.00 C ATOM 1344 C LEU A 85 10.245 17.107 -17.665 1.00 0.00 C ATOM 1345 O LEU A 85 9.717 18.101 -18.170 1.00 0.00 O ATOM 1346 CB LEU A 85 8.173 16.667 -16.212 1.00 0.00 C ATOM 1347 CG LEU A 85 7.153 15.673 -15.529 1.00 0.00 C ATOM 1348 CD1 LEU A 85 7.508 15.377 -14.053 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.711 16.180 -15.637 1.00 0.00 C ATOM 0 H LEU A 85 10.168 14.156 -16.437 1.00 0.00 H new ATOM 0 HA LEU A 85 8.970 15.398 -17.766 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.571 17.328 -15.442 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.620 17.292 -16.913 1.00 0.00 H new ATOM 0 HG LEU A 85 7.233 14.736 -16.079 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.774 14.689 -13.633 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.499 14.927 -14.000 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.501 16.306 -13.484 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.039 15.470 -15.156 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.628 17.149 -15.145 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.439 16.283 -16.688 1.00 0.00 H new ATOM 1361 N LYS A 86 11.567 16.870 -17.729 1.00 0.00 N ATOM 1362 CA LYS A 86 12.543 17.832 -18.270 1.00 0.00 C ATOM 1363 C LYS A 86 12.430 17.927 -19.809 1.00 0.00 C ATOM 1364 O LYS A 86 12.003 18.984 -20.326 1.00 0.00 O ATOM 1365 CB LYS A 86 13.979 17.425 -17.841 1.00 0.00 C ATOM 1366 CG LYS A 86 14.174 17.322 -16.312 1.00 0.00 C ATOM 1367 CD LYS A 86 13.846 18.639 -15.561 1.00 0.00 C ATOM 1368 CE LYS A 86 13.935 18.489 -14.035 1.00 0.00 C ATOM 1369 NZ LYS A 86 15.297 18.099 -13.585 1.00 0.00 N ATOM 1370 OXT LYS A 86 12.735 16.926 -20.490 1.00 0.00 O ATOM 0 H LYS A 86 11.991 16.001 -17.405 1.00 0.00 H new ATOM 0 HA LYS A 86 12.324 18.819 -17.863 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.223 16.464 -18.293 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.686 18.153 -18.239 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.540 16.524 -15.925 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.206 17.040 -16.103 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.535 19.419 -15.886 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.842 18.967 -15.832 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.654 19.430 -13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.217 17.739 -13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.321 18.059 -12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.536 17.164 -13.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.988 18.800 -13.921 1.00 0.00 H new TER 1384 LYS A 86