USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 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 Single : A 1 GLY N :NH3+ 135:sc= 0.0334 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.5!) USER MOD Single : A 10 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.033) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00981) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 170:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 45 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.0049) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 51 TYR OH : rot 15:sc= -1.39 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= -1.8 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 130:sc= 0.194 USER MOD Single : A 66 GLN : amide:sc= -5.77! C(o=-5.8!,f=-13!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -7.68! C(o=-7.7!,f=-9.6!) USER MOD Single : A 74 THR OG1 : rot 64:sc= 1.09 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.955 K(o=-0.96,f=-7.2!) USER MOD Single : A 83 GLN : amide:sc= -0.0241 K(o=-0.024,f=-5!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= -0.178 (180deg=-0.608) USER MOD Single : A 89 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.59) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= -0.0007 (180deg=-0.484) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc=-0.00338 X(o=-0.0034,f=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0773 K(o=-0.077,f=-1.6!) USER MOD Single : A 105 ASN : amide:sc=-0.00641 X(o=-0.0064,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.785 -15.979 18.550 1.00 0.00 N ATOM 2 CA GLY A 1 -29.317 -15.720 18.544 1.00 0.00 C ATOM 3 C GLY A 1 -28.805 -15.260 19.894 1.00 0.00 C ATOM 4 O GLY A 1 -29.545 -14.650 20.667 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.215 -15.558 17.702 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.957 -17.005 18.553 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.209 -15.555 19.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.792 -16.629 18.250 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.088 -14.963 17.794 1.00 0.00 H new ATOM 10 N PRO A 2 -27.528 -15.537 20.211 1.00 0.00 N ATOM 11 CA PRO A 2 -26.927 -15.138 21.488 1.00 0.00 C ATOM 12 C PRO A 2 -26.752 -13.627 21.599 1.00 0.00 C ATOM 13 O PRO A 2 -26.708 -13.076 22.699 1.00 0.00 O ATOM 14 CB PRO A 2 -25.564 -15.834 21.474 1.00 0.00 C ATOM 15 CG PRO A 2 -25.251 -16.029 20.031 1.00 0.00 C ATOM 16 CD PRO A 2 -26.572 -16.257 19.349 1.00 0.00 C ATOM 0 HA PRO A 2 -27.553 -15.415 22.336 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -24.804 -15.226 21.965 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -25.601 -16.786 22.003 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -24.745 -15.156 19.620 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -24.585 -16.880 19.887 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -26.573 -15.864 18.332 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -26.812 -17.318 19.281 1.00 0.00 H new ATOM 24 N GLY A 3 -26.655 -12.960 20.452 1.00 0.00 N ATOM 25 CA GLY A 3 -26.488 -11.518 20.442 1.00 0.00 C ATOM 26 C GLY A 3 -25.264 -11.082 19.664 1.00 0.00 C ATOM 27 O GLY A 3 -24.134 -11.377 20.052 1.00 0.00 O ATOM 0 H GLY A 3 -26.689 -13.393 19.529 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -27.374 -11.056 20.008 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -26.410 -11.157 21.468 1.00 0.00 H new ATOM 31 N SER A 4 -25.487 -10.375 18.560 1.00 0.00 N ATOM 32 CA SER A 4 -24.391 -9.896 17.724 1.00 0.00 C ATOM 33 C SER A 4 -24.784 -8.618 16.988 1.00 0.00 C ATOM 34 O SER A 4 -25.887 -8.101 17.166 1.00 0.00 O ATOM 35 CB SER A 4 -23.983 -10.972 16.716 1.00 0.00 C ATOM 36 OG SER A 4 -25.112 -11.694 16.256 1.00 0.00 O ATOM 0 H SER A 4 -26.416 -10.121 18.224 1.00 0.00 H new ATOM 0 HA SER A 4 -23.544 -9.674 18.373 1.00 0.00 H new ATOM 0 HB2 SER A 4 -23.475 -10.509 15.871 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.273 -11.657 17.178 1.00 0.00 H new ATOM 0 HG SER A 4 -24.825 -12.374 15.612 1.00 0.00 H new ATOM 42 N LEU A 5 -23.873 -8.116 16.161 1.00 0.00 N ATOM 43 CA LEU A 5 -24.122 -6.899 15.397 1.00 0.00 C ATOM 44 C LEU A 5 -24.034 -7.171 13.898 1.00 0.00 C ATOM 45 O LEU A 5 -23.778 -8.299 13.477 1.00 0.00 O ATOM 46 CB LEU A 5 -23.119 -5.812 15.790 1.00 0.00 C ATOM 47 CG LEU A 5 -23.707 -4.407 15.933 1.00 0.00 C ATOM 48 CD1 LEU A 5 -24.244 -4.194 17.341 1.00 0.00 C ATOM 49 CD2 LEU A 5 -22.661 -3.356 15.596 1.00 0.00 C ATOM 0 H LEU A 5 -22.956 -8.533 16.003 1.00 0.00 H new ATOM 0 HA LEU A 5 -25.130 -6.554 15.627 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -22.655 -6.093 16.735 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -22.327 -5.783 15.042 1.00 0.00 H new ATOM 0 HG LEU A 5 -24.535 -4.307 15.231 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -24.658 -3.189 17.424 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -25.024 -4.927 17.548 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -23.434 -4.313 18.061 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -23.096 -2.362 15.703 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -21.813 -3.456 16.274 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -22.323 -3.495 14.569 1.00 0.00 H new ATOM 61 N SER A 6 -24.248 -6.131 13.098 1.00 0.00 N ATOM 62 CA SER A 6 -24.192 -6.259 11.647 1.00 0.00 C ATOM 63 C SER A 6 -25.244 -7.246 11.146 1.00 0.00 C ATOM 64 O SER A 6 -24.994 -8.021 10.223 1.00 0.00 O ATOM 65 CB SER A 6 -22.799 -6.713 11.206 1.00 0.00 C ATOM 66 OG SER A 6 -21.941 -5.604 11.004 1.00 0.00 O ATOM 0 H SER A 6 -24.462 -5.191 13.431 1.00 0.00 H new ATOM 0 HA SER A 6 -24.401 -5.281 11.214 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.373 -7.374 11.961 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.876 -7.290 10.284 1.00 0.00 H new ATOM 0 HG SER A 6 -21.057 -5.921 10.724 1.00 0.00 H new ATOM 72 N ASN A 7 -26.420 -7.212 11.764 1.00 0.00 N ATOM 73 CA ASN A 7 -27.510 -8.102 11.381 1.00 0.00 C ATOM 74 C ASN A 7 -28.860 -7.414 11.556 1.00 0.00 C ATOM 75 O ASN A 7 -29.347 -7.253 12.676 1.00 0.00 O ATOM 76 CB ASN A 7 -27.463 -9.385 12.214 1.00 0.00 C ATOM 77 CG ASN A 7 -27.034 -10.589 11.397 1.00 0.00 C ATOM 78 OD1 ASN A 7 -27.271 -10.651 10.191 1.00 0.00 O ATOM 79 ND2 ASN A 7 -26.398 -11.553 12.053 1.00 0.00 N ATOM 0 H ASN A 7 -26.643 -6.578 12.532 1.00 0.00 H new ATOM 0 HA ASN A 7 -27.388 -8.357 10.328 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -26.773 -9.249 13.046 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -28.447 -9.573 12.643 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -26.085 -12.387 11.556 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -26.223 -11.459 13.053 1.00 0.00 H new ATOM 86 N PHE A 8 -29.461 -7.008 10.443 1.00 0.00 N ATOM 87 CA PHE A 8 -30.755 -6.338 10.472 1.00 0.00 C ATOM 88 C PHE A 8 -31.605 -6.738 9.270 1.00 0.00 C ATOM 89 O PHE A 8 -31.081 -6.987 8.184 1.00 0.00 O ATOM 90 CB PHE A 8 -30.566 -4.820 10.497 1.00 0.00 C ATOM 91 CG PHE A 8 -30.167 -4.285 11.842 1.00 0.00 C ATOM 92 CD1 PHE A 8 -31.115 -4.095 12.835 1.00 0.00 C ATOM 93 CD2 PHE A 8 -28.844 -3.973 12.114 1.00 0.00 C ATOM 94 CE1 PHE A 8 -30.750 -3.603 14.076 1.00 0.00 C ATOM 95 CE2 PHE A 8 -28.474 -3.481 13.351 1.00 0.00 C ATOM 96 CZ PHE A 8 -29.428 -3.296 14.333 1.00 0.00 C ATOM 0 H PHE A 8 -29.072 -7.132 9.508 1.00 0.00 H new ATOM 0 HA PHE A 8 -31.275 -6.648 11.378 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -29.806 -4.545 9.766 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -31.495 -4.342 10.186 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -32.150 -4.333 12.638 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -28.094 -4.116 11.350 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -31.498 -3.459 14.842 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -27.440 -3.241 13.550 1.00 0.00 H new ATOM 0 HZ PHE A 8 -29.140 -2.912 15.301 1.00 0.00 H new ATOM 106 N ALA A 9 -32.916 -6.796 9.470 1.00 0.00 N ATOM 107 CA ALA A 9 -33.838 -7.165 8.403 1.00 0.00 C ATOM 108 C ALA A 9 -33.779 -6.165 7.252 1.00 0.00 C ATOM 109 O ALA A 9 -34.031 -6.514 6.100 1.00 0.00 O ATOM 110 CB ALA A 9 -35.257 -7.268 8.942 1.00 0.00 C ATOM 0 H ALA A 9 -33.365 -6.592 10.363 1.00 0.00 H new ATOM 0 HA ALA A 9 -33.535 -8.139 8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -35.934 -7.544 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -35.295 -8.027 9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -35.560 -6.306 9.356 1.00 0.00 H new ATOM 116 N ASN A 10 -33.443 -4.919 7.573 1.00 0.00 N ATOM 117 CA ASN A 10 -33.353 -3.868 6.565 1.00 0.00 C ATOM 118 C ASN A 10 -32.348 -4.240 5.480 1.00 0.00 C ATOM 119 O ASN A 10 -31.519 -5.130 5.665 1.00 0.00 O ATOM 120 CB ASN A 10 -32.954 -2.541 7.216 1.00 0.00 C ATOM 121 CG ASN A 10 -34.142 -1.625 7.432 1.00 0.00 C ATOM 122 OD1 ASN A 10 -34.381 -1.150 8.543 1.00 0.00 O ATOM 123 ND2 ASN A 10 -34.893 -1.369 6.367 1.00 0.00 N ATOM 0 H ASN A 10 -33.229 -4.613 8.522 1.00 0.00 H new ATOM 0 HA ASN A 10 -34.334 -3.757 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -32.472 -2.739 8.173 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -32.219 -2.037 6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -35.705 -0.757 6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -34.658 -1.784 5.465 1.00 0.00 H new ATOM 130 N VAL A 11 -32.430 -3.551 4.346 1.00 0.00 N ATOM 131 CA VAL A 11 -31.528 -3.809 3.229 1.00 0.00 C ATOM 132 C VAL A 11 -31.119 -2.511 2.542 1.00 0.00 C ATOM 133 O VAL A 11 -31.785 -2.052 1.615 1.00 0.00 O ATOM 134 CB VAL A 11 -32.172 -4.747 2.193 1.00 0.00 C ATOM 135 CG1 VAL A 11 -32.241 -6.168 2.727 1.00 0.00 C ATOM 136 CG2 VAL A 11 -33.556 -4.247 1.808 1.00 0.00 C ATOM 0 H VAL A 11 -33.111 -2.811 4.176 1.00 0.00 H new ATOM 0 HA VAL A 11 -30.642 -4.292 3.642 1.00 0.00 H new ATOM 0 HB VAL A 11 -31.550 -4.751 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -32.699 -6.816 1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -31.234 -6.523 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -32.839 -6.186 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -33.996 -4.923 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -34.189 -4.211 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -33.476 -3.248 1.379 1.00 0.00 H new ATOM 146 N GLY A 12 -30.019 -1.925 3.003 1.00 0.00 N ATOM 147 CA GLY A 12 -29.538 -0.686 2.421 1.00 0.00 C ATOM 148 C GLY A 12 -28.852 0.206 3.437 1.00 0.00 C ATOM 149 O GLY A 12 -29.074 1.417 3.460 1.00 0.00 O ATOM 0 H GLY A 12 -29.452 -2.286 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -28.842 -0.914 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -30.376 -0.148 1.977 1.00 0.00 H new ATOM 153 N VAL A 13 -28.017 -0.392 4.281 1.00 0.00 N ATOM 154 CA VAL A 13 -27.295 0.357 5.303 1.00 0.00 C ATOM 155 C VAL A 13 -26.392 -0.562 6.121 1.00 0.00 C ATOM 156 O VAL A 13 -26.758 -1.698 6.427 1.00 0.00 O ATOM 157 CB VAL A 13 -28.265 1.090 6.252 1.00 0.00 C ATOM 158 CG1 VAL A 13 -29.161 0.098 6.979 1.00 0.00 C ATOM 159 CG2 VAL A 13 -27.497 1.952 7.243 1.00 0.00 C ATOM 0 H VAL A 13 -27.824 -1.394 4.277 1.00 0.00 H new ATOM 0 HA VAL A 13 -26.682 1.094 4.784 1.00 0.00 H new ATOM 0 HB VAL A 13 -28.900 1.743 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.837 0.637 7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -29.742 -0.468 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -28.547 -0.586 7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.199 2.461 7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -26.833 1.322 7.835 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -26.908 2.692 6.701 1.00 0.00 H new ATOM 169 N GLY A 14 -25.212 -0.063 6.474 1.00 0.00 N ATOM 170 CA GLY A 14 -24.275 -0.852 7.253 1.00 0.00 C ATOM 171 C GLY A 14 -22.877 -0.268 7.246 1.00 0.00 C ATOM 172 O GLY A 14 -22.686 0.909 7.555 1.00 0.00 O ATOM 0 H GLY A 14 -24.888 0.874 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -24.631 -0.922 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -24.243 -1.867 6.857 1.00 0.00 H new ATOM 176 N THR A 15 -21.895 -1.090 6.892 1.00 0.00 N ATOM 177 CA THR A 15 -20.506 -0.649 6.845 1.00 0.00 C ATOM 178 C THR A 15 -19.788 -1.233 5.632 1.00 0.00 C ATOM 179 O THR A 15 -19.820 -2.442 5.403 1.00 0.00 O ATOM 180 CB THR A 15 -19.777 -1.055 8.127 1.00 0.00 C ATOM 181 OG1 THR A 15 -20.682 -1.134 9.214 1.00 0.00 O ATOM 182 CG2 THR A 15 -18.673 -0.095 8.518 1.00 0.00 C ATOM 0 H THR A 15 -22.036 -2.067 6.633 1.00 0.00 H new ATOM 0 HA THR A 15 -20.500 0.438 6.759 1.00 0.00 H new ATOM 0 HB THR A 15 -19.332 -2.026 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.198 -1.396 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.197 -0.442 9.435 1.00 0.00 H new ATOM 0 HG22 THR A 15 -17.932 -0.048 7.720 1.00 0.00 H new ATOM 0 HG23 THR A 15 -19.094 0.897 8.680 1.00 0.00 H new ATOM 190 N SER A 16 -19.139 -0.366 4.861 1.00 0.00 N ATOM 191 CA SER A 16 -18.412 -0.794 3.672 1.00 0.00 C ATOM 192 C SER A 16 -19.354 -1.425 2.652 1.00 0.00 C ATOM 193 O SER A 16 -19.984 -2.447 2.921 1.00 0.00 O ATOM 194 CB SER A 16 -17.314 -1.791 4.049 1.00 0.00 C ATOM 195 OG SER A 16 -16.143 -1.578 3.278 1.00 0.00 O ATOM 0 H SER A 16 -19.102 0.638 5.039 1.00 0.00 H new ATOM 0 HA SER A 16 -17.956 0.088 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.078 -1.693 5.109 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.674 -2.808 3.895 1.00 0.00 H new ATOM 0 HG SER A 16 -15.457 -2.227 3.540 1.00 0.00 H new ATOM 201 N SER A 17 -19.447 -0.806 1.479 1.00 0.00 N ATOM 202 CA SER A 17 -20.313 -1.305 0.417 1.00 0.00 C ATOM 203 C SER A 17 -19.592 -2.356 -0.421 1.00 0.00 C ATOM 204 O SER A 17 -18.674 -2.039 -1.176 1.00 0.00 O ATOM 205 CB SER A 17 -20.776 -0.152 -0.476 1.00 0.00 C ATOM 206 OG SER A 17 -19.765 0.833 -0.604 1.00 0.00 O ATOM 0 H SER A 17 -18.933 0.042 1.240 1.00 0.00 H new ATOM 0 HA SER A 17 -21.185 -1.769 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.041 -0.535 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.676 0.298 -0.056 1.00 0.00 H new ATOM 0 HG SER A 17 -20.085 1.558 -1.181 1.00 0.00 H new ATOM 212 N GLY A 18 -20.016 -3.608 -0.282 1.00 0.00 N ATOM 213 CA GLY A 18 -19.401 -4.686 -1.033 1.00 0.00 C ATOM 214 C GLY A 18 -18.282 -5.363 -0.266 1.00 0.00 C ATOM 215 O GLY A 18 -17.770 -4.815 0.710 1.00 0.00 O ATOM 0 H GLY A 18 -20.774 -3.895 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.160 -5.425 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.008 -4.293 -1.971 1.00 0.00 H new ATOM 219 N LYS A 19 -17.901 -6.558 -0.707 1.00 0.00 N ATOM 220 CA LYS A 19 -16.835 -7.310 -0.056 1.00 0.00 C ATOM 221 C LYS A 19 -15.749 -7.693 -1.056 1.00 0.00 C ATOM 222 O LYS A 19 -15.848 -8.717 -1.731 1.00 0.00 O ATOM 223 CB LYS A 19 -17.402 -8.568 0.607 1.00 0.00 C ATOM 224 CG LYS A 19 -17.979 -8.320 1.990 1.00 0.00 C ATOM 225 CD LYS A 19 -18.968 -9.404 2.384 1.00 0.00 C ATOM 226 CE LYS A 19 -20.144 -8.831 3.159 1.00 0.00 C ATOM 227 NZ LYS A 19 -21.163 -9.872 3.472 1.00 0.00 N ATOM 0 H LYS A 19 -18.315 -7.026 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.390 -6.673 0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.180 -8.986 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.613 -9.317 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.171 -8.280 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.475 -7.349 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.332 -9.909 1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.463 -10.156 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.785 -8.384 4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.607 -8.033 2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.948 -9.441 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.525 -10.281 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.728 -10.621 4.047 1.00 0.00 H new ATOM 241 N GLN A 20 -14.714 -6.864 -1.144 1.00 0.00 N ATOM 242 CA GLN A 20 -13.608 -7.117 -2.063 1.00 0.00 C ATOM 243 C GLN A 20 -12.327 -7.436 -1.297 1.00 0.00 C ATOM 244 O GLN A 20 -12.288 -7.350 -0.071 1.00 0.00 O ATOM 245 CB GLN A 20 -13.385 -5.907 -2.972 1.00 0.00 C ATOM 246 CG GLN A 20 -13.016 -6.278 -4.399 1.00 0.00 C ATOM 247 CD GLN A 20 -13.499 -5.258 -5.410 1.00 0.00 C ATOM 248 OE1 GLN A 20 -14.087 -5.610 -6.433 1.00 0.00 O ATOM 249 NE2 GLN A 20 -13.251 -3.983 -5.131 1.00 0.00 N ATOM 0 H GLN A 20 -14.617 -6.012 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.868 -7.980 -2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.291 -5.301 -2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.594 -5.287 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.933 -6.376 -4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.442 -7.252 -4.639 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.761 -3.735 -4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.551 -3.252 -5.776 1.00 0.00 H new ATOM 258 N LYS A 21 -11.282 -7.805 -2.030 1.00 0.00 N ATOM 259 CA LYS A 21 -10.000 -8.137 -1.420 1.00 0.00 C ATOM 260 C LYS A 21 -8.886 -7.254 -1.974 1.00 0.00 C ATOM 261 O LYS A 21 -8.799 -7.031 -3.182 1.00 0.00 O ATOM 262 CB LYS A 21 -9.665 -9.612 -1.659 1.00 0.00 C ATOM 263 CG LYS A 21 -10.427 -10.564 -0.753 1.00 0.00 C ATOM 264 CD LYS A 21 -10.157 -12.016 -1.117 1.00 0.00 C ATOM 265 CE LYS A 21 -11.212 -12.945 -0.535 1.00 0.00 C ATOM 266 NZ LYS A 21 -10.609 -14.012 0.309 1.00 0.00 N ATOM 0 H LYS A 21 -11.298 -7.882 -3.047 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.080 -7.958 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.881 -9.861 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.595 -9.761 -1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.141 -10.388 0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.495 -10.362 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.137 -12.122 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.173 -12.307 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.916 -12.365 0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.780 -13.401 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.361 -14.623 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.956 -14.582 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.088 -13.578 1.097 1.00 0.00 H new ATOM 280 N ARG A 22 -8.037 -6.753 -1.082 1.00 0.00 N ATOM 281 CA ARG A 22 -6.929 -5.893 -1.478 1.00 0.00 C ATOM 282 C ARG A 22 -5.782 -5.993 -0.477 1.00 0.00 C ATOM 283 O ARG A 22 -5.820 -5.378 0.588 1.00 0.00 O ATOM 284 CB ARG A 22 -7.396 -4.440 -1.592 1.00 0.00 C ATOM 285 CG ARG A 22 -6.407 -3.537 -2.309 1.00 0.00 C ATOM 286 CD ARG A 22 -6.691 -3.471 -3.802 1.00 0.00 C ATOM 287 NE ARG A 22 -6.843 -2.095 -4.269 1.00 0.00 N ATOM 288 CZ ARG A 22 -7.955 -1.380 -4.119 1.00 0.00 C ATOM 289 NH1 ARG A 22 -9.014 -1.905 -3.516 1.00 0.00 N ATOM 290 NH2 ARG A 22 -8.009 -0.136 -4.573 1.00 0.00 N ATOM 0 H ARG A 22 -8.096 -6.929 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.571 -6.228 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.349 -4.414 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.576 -4.046 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.455 -2.534 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.394 -3.904 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.879 -3.951 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.599 -4.032 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.050 -1.657 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.978 -2.862 -3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.864 -1.352 -3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.198 0.273 -5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.861 0.412 -4.458 1.00 0.00 H new ATOM 304 N TYR A 23 -4.762 -6.772 -0.826 1.00 0.00 N ATOM 305 CA TYR A 23 -3.606 -6.954 0.044 1.00 0.00 C ATOM 306 C TYR A 23 -4.025 -7.516 1.402 1.00 0.00 C ATOM 307 O TYR A 23 -3.310 -7.367 2.392 1.00 0.00 O ATOM 308 CB TYR A 23 -2.869 -5.628 0.233 1.00 0.00 C ATOM 309 CG TYR A 23 -2.452 -4.979 -1.068 1.00 0.00 C ATOM 310 CD1 TYR A 23 -1.545 -5.602 -1.918 1.00 0.00 C ATOM 311 CD2 TYR A 23 -2.963 -3.744 -1.447 1.00 0.00 C ATOM 312 CE1 TYR A 23 -1.161 -5.013 -3.107 1.00 0.00 C ATOM 313 CE2 TYR A 23 -2.586 -3.150 -2.636 1.00 0.00 C ATOM 314 CZ TYR A 23 -1.684 -3.787 -3.461 1.00 0.00 C ATOM 315 OH TYR A 23 -1.306 -3.198 -4.645 1.00 0.00 O ATOM 0 H TYR A 23 -4.713 -7.287 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.936 -7.670 -0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.511 -4.940 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.983 -5.798 0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.134 -6.562 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.667 -3.240 -0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.455 -5.510 -3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.996 -2.191 -2.918 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.766 -2.339 -4.744 1.00 0.00 H new ATOM 325 N LYS A 24 -5.189 -8.160 1.438 1.00 0.00 N ATOM 326 CA LYS A 24 -5.710 -8.748 2.668 1.00 0.00 C ATOM 327 C LYS A 24 -5.726 -7.735 3.801 1.00 0.00 C ATOM 328 O LYS A 24 -5.424 -6.559 3.600 1.00 0.00 O ATOM 329 CB LYS A 24 -4.888 -9.974 3.069 1.00 0.00 C ATOM 330 CG LYS A 24 -4.842 -11.051 1.997 1.00 0.00 C ATOM 331 CD LYS A 24 -3.601 -10.919 1.128 1.00 0.00 C ATOM 332 CE LYS A 24 -2.351 -11.360 1.872 1.00 0.00 C ATOM 333 NZ LYS A 24 -2.249 -12.843 1.957 1.00 0.00 N ATOM 0 H LYS A 24 -5.791 -8.288 0.625 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.737 -9.059 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.870 -9.659 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.306 -10.399 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.856 -12.034 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.733 -10.983 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.721 -11.521 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.489 -9.883 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.470 -10.964 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.359 -10.939 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.343 -13.104 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.032 -13.212 2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.300 -13.250 1.001 1.00 0.00 H new ATOM 347 N PHE A 25 -6.106 -8.195 4.990 1.00 0.00 N ATOM 348 CA PHE A 25 -6.189 -7.320 6.144 1.00 0.00 C ATOM 349 C PHE A 25 -7.235 -6.243 5.878 1.00 0.00 C ATOM 350 O PHE A 25 -7.032 -5.399 5.011 1.00 0.00 O ATOM 351 CB PHE A 25 -4.828 -6.679 6.424 1.00 0.00 C ATOM 352 CG PHE A 25 -4.210 -7.122 7.721 1.00 0.00 C ATOM 353 CD1 PHE A 25 -4.974 -7.216 8.873 1.00 0.00 C ATOM 354 CD2 PHE A 25 -2.863 -7.445 7.785 1.00 0.00 C ATOM 355 CE1 PHE A 25 -4.407 -7.623 10.065 1.00 0.00 C ATOM 356 CE2 PHE A 25 -2.290 -7.852 8.974 1.00 0.00 C ATOM 357 CZ PHE A 25 -3.063 -7.942 10.117 1.00 0.00 C ATOM 0 H PHE A 25 -6.359 -9.166 5.174 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.479 -7.901 7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.148 -6.918 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.942 -5.595 6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.025 -6.968 8.839 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.255 -7.378 6.895 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.013 -7.692 10.956 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.239 -8.100 9.011 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.618 -8.261 11.048 1.00 0.00 H new ATOM 367 N SER A 26 -8.357 -6.281 6.603 1.00 0.00 N ATOM 368 CA SER A 26 -9.420 -5.297 6.409 1.00 0.00 C ATOM 369 C SER A 26 -8.875 -3.885 6.575 1.00 0.00 C ATOM 370 O SER A 26 -9.196 -3.192 7.540 1.00 0.00 O ATOM 371 CB SER A 26 -10.558 -5.544 7.402 1.00 0.00 C ATOM 372 OG SER A 26 -11.811 -5.197 6.839 1.00 0.00 O ATOM 0 H SER A 26 -8.550 -6.977 7.323 1.00 0.00 H new ATOM 0 HA SER A 26 -9.809 -5.402 5.396 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.566 -6.593 7.696 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.388 -4.960 8.307 1.00 0.00 H new ATOM 0 HG SER A 26 -12.521 -5.366 7.493 1.00 0.00 H new ATOM 378 N ALA A 27 -8.032 -3.471 5.634 1.00 0.00 N ATOM 379 CA ALA A 27 -7.423 -2.148 5.686 1.00 0.00 C ATOM 380 C ALA A 27 -6.783 -1.905 7.051 1.00 0.00 C ATOM 381 O ALA A 27 -6.664 -0.763 7.497 1.00 0.00 O ATOM 382 CB ALA A 27 -8.458 -1.076 5.384 1.00 0.00 C ATOM 0 H ALA A 27 -7.756 -4.032 4.828 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.642 -2.098 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.988 -0.094 5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.870 -1.238 4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.260 -1.127 6.121 1.00 0.00 H new ATOM 388 N SER A 28 -6.383 -2.989 7.714 1.00 0.00 N ATOM 389 CA SER A 28 -5.767 -2.895 9.033 1.00 0.00 C ATOM 390 C SER A 28 -4.427 -2.171 8.967 1.00 0.00 C ATOM 391 O SER A 28 -4.031 -1.495 9.917 1.00 0.00 O ATOM 392 CB SER A 28 -5.574 -4.292 9.627 1.00 0.00 C ATOM 393 OG SER A 28 -5.383 -4.227 11.030 1.00 0.00 O ATOM 0 H SER A 28 -6.475 -3.941 7.358 1.00 0.00 H new ATOM 0 HA SER A 28 -6.435 -2.319 9.674 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.444 -4.909 9.403 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.714 -4.773 9.161 1.00 0.00 H new ATOM 0 HG SER A 28 -5.423 -5.130 11.408 1.00 0.00 H new ATOM 399 N GLU A 29 -3.729 -2.318 7.846 1.00 0.00 N ATOM 400 CA GLU A 29 -2.430 -1.676 7.670 1.00 0.00 C ATOM 401 C GLU A 29 -2.536 -0.166 7.868 1.00 0.00 C ATOM 402 O GLU A 29 -1.803 0.418 8.667 1.00 0.00 O ATOM 403 CB GLU A 29 -1.872 -1.983 6.279 1.00 0.00 C ATOM 404 CG GLU A 29 -2.004 -3.443 5.878 1.00 0.00 C ATOM 405 CD GLU A 29 -2.822 -3.632 4.616 1.00 0.00 C ATOM 406 OE1 GLU A 29 -2.789 -2.735 3.747 1.00 0.00 O ATOM 407 OE2 GLU A 29 -3.493 -4.679 4.494 1.00 0.00 O ATOM 0 H GLU A 29 -4.039 -2.873 7.048 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.750 -2.074 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.389 -1.365 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.820 -1.700 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.010 -3.866 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.468 -3.999 6.693 1.00 0.00 H new ATOM 414 N ASP A 30 -3.462 0.459 7.146 1.00 0.00 N ATOM 415 CA ASP A 30 -3.666 1.899 7.249 1.00 0.00 C ATOM 416 C ASP A 30 -4.078 2.281 8.665 1.00 0.00 C ATOM 417 O ASP A 30 -3.653 3.309 9.193 1.00 0.00 O ATOM 418 CB ASP A 30 -4.732 2.360 6.253 1.00 0.00 C ATOM 419 CG ASP A 30 -4.155 2.659 4.885 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.989 3.103 4.816 1.00 0.00 O ATOM 421 OD2 ASP A 30 -4.866 2.450 3.881 1.00 0.00 O ATOM 0 H ASP A 30 -4.082 -0.009 6.485 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.725 2.395 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.497 1.589 6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.224 3.252 6.639 1.00 0.00 H new ATOM 426 N GLU A 31 -4.905 1.438 9.274 1.00 0.00 N ATOM 427 CA GLU A 31 -5.375 1.674 10.631 1.00 0.00 C ATOM 428 C GLU A 31 -4.233 1.531 11.629 1.00 0.00 C ATOM 429 O GLU A 31 -4.234 2.162 12.687 1.00 0.00 O ATOM 430 CB GLU A 31 -6.505 0.703 10.981 1.00 0.00 C ATOM 431 CG GLU A 31 -7.763 0.914 10.157 1.00 0.00 C ATOM 432 CD GLU A 31 -9.027 0.826 10.989 1.00 0.00 C ATOM 433 OE1 GLU A 31 -9.044 0.045 11.964 1.00 0.00 O ATOM 434 OE2 GLU A 31 -10.002 1.537 10.666 1.00 0.00 O ATOM 0 H GLU A 31 -5.263 0.584 8.847 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.758 2.693 10.687 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.153 -0.318 10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.750 0.809 12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.717 1.890 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.802 0.168 9.363 1.00 0.00 H new ATOM 441 N ALA A 32 -3.259 0.694 11.293 1.00 0.00 N ATOM 442 CA ALA A 32 -2.117 0.475 12.166 1.00 0.00 C ATOM 443 C ALA A 32 -1.191 1.682 12.174 1.00 0.00 C ATOM 444 O ALA A 32 -0.622 2.031 13.209 1.00 0.00 O ATOM 445 CB ALA A 32 -1.361 -0.779 11.751 1.00 0.00 C ATOM 0 H ALA A 32 -3.239 0.158 10.425 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.491 0.335 13.180 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.510 -0.927 12.415 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.025 -1.641 11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.007 -0.668 10.726 1.00 0.00 H new ATOM 451 N ILE A 33 -1.047 2.329 11.023 1.00 0.00 N ATOM 452 CA ILE A 33 -0.189 3.506 10.934 1.00 0.00 C ATOM 453 C ILE A 33 -0.816 4.682 11.666 1.00 0.00 C ATOM 454 O ILE A 33 -0.138 5.398 12.403 1.00 0.00 O ATOM 455 CB ILE A 33 0.096 3.931 9.479 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.296 2.709 8.585 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.318 4.835 9.440 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.728 3.050 7.172 1.00 0.00 C ATOM 0 H ILE A 33 -1.505 2.065 10.151 1.00 0.00 H new ATOM 0 HA ILE A 33 0.756 3.225 11.399 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.764 4.483 9.098 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.044 2.058 9.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.635 2.144 8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.517 5.134 8.411 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.134 5.722 10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.180 4.298 9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.850 2.132 6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.030 3.675 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.675 3.588 7.201 1.00 0.00 H new ATOM 470 N ILE A 34 -2.113 4.877 11.460 1.00 0.00 N ATOM 471 CA ILE A 34 -2.819 5.971 12.110 1.00 0.00 C ATOM 472 C ILE A 34 -2.867 5.767 13.618 1.00 0.00 C ATOM 473 O ILE A 34 -2.663 6.707 14.387 1.00 0.00 O ATOM 474 CB ILE A 34 -4.253 6.139 11.567 1.00 0.00 C ATOM 475 CG1 ILE A 34 -5.031 4.828 11.680 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.219 6.615 10.121 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.858 4.723 12.943 1.00 0.00 C ATOM 0 H ILE A 34 -2.692 4.297 10.853 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.262 6.880 11.885 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.763 6.891 12.169 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.688 4.729 10.816 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.330 3.994 11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.238 6.729 9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.704 7.574 10.066 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.691 5.883 9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.383 3.768 12.956 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.204 4.790 13.813 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.584 5.536 12.971 1.00 0.00 H new ATOM 489 N LYS A 35 -3.115 4.531 14.039 1.00 0.00 N ATOM 490 CA LYS A 35 -3.161 4.216 15.462 1.00 0.00 C ATOM 491 C LYS A 35 -1.754 4.212 16.042 1.00 0.00 C ATOM 492 O LYS A 35 -1.551 4.523 17.216 1.00 0.00 O ATOM 493 CB LYS A 35 -3.840 2.864 15.696 1.00 0.00 C ATOM 494 CG LYS A 35 -3.058 1.685 15.142 1.00 0.00 C ATOM 495 CD LYS A 35 -2.021 1.183 16.136 1.00 0.00 C ATOM 496 CE LYS A 35 -2.401 -0.174 16.703 1.00 0.00 C ATOM 497 NZ LYS A 35 -1.445 -0.629 17.752 1.00 0.00 N ATOM 0 H LYS A 35 -3.286 3.738 13.421 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.748 4.983 15.968 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.986 2.721 16.767 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.829 2.880 15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.745 0.877 14.893 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.563 1.979 14.216 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.050 1.114 15.646 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.918 1.902 16.949 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.405 -0.122 17.125 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.431 -0.908 15.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.741 -1.559 18.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.491 -0.704 17.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.434 0.057 18.533 1.00 0.00 H new ATOM 511 N GLY A 36 -0.781 3.864 15.204 1.00 0.00 N ATOM 512 CA GLY A 36 0.602 3.832 15.640 1.00 0.00 C ATOM 513 C GLY A 36 1.136 5.217 15.948 1.00 0.00 C ATOM 514 O GLY A 36 1.810 5.419 16.958 1.00 0.00 O ATOM 0 H GLY A 36 -0.928 3.603 14.229 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.687 3.206 16.528 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.215 3.372 14.865 1.00 0.00 H new ATOM 518 N LEU A 37 0.828 6.171 15.075 1.00 0.00 N ATOM 519 CA LEU A 37 1.276 7.547 15.255 1.00 0.00 C ATOM 520 C LEU A 37 0.569 8.195 16.441 1.00 0.00 C ATOM 521 O LEU A 37 1.188 8.903 17.235 1.00 0.00 O ATOM 522 CB LEU A 37 1.016 8.360 13.987 1.00 0.00 C ATOM 523 CG LEU A 37 2.131 8.306 12.941 1.00 0.00 C ATOM 524 CD1 LEU A 37 1.900 7.152 11.978 1.00 0.00 C ATOM 525 CD2 LEU A 37 2.221 9.625 12.188 1.00 0.00 C ATOM 0 H LEU A 37 0.270 6.016 14.236 1.00 0.00 H new ATOM 0 HA LEU A 37 2.347 7.532 15.455 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.093 8.005 13.530 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.853 9.400 14.268 1.00 0.00 H new ATOM 0 HG LEU A 37 3.079 8.141 13.454 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.702 7.128 11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.888 6.213 12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.945 7.287 11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.020 9.568 11.448 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.274 9.822 11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.434 10.431 12.890 1.00 0.00 H new ATOM 537 N ALA A 38 -0.733 7.948 16.552 1.00 0.00 N ATOM 538 CA ALA A 38 -1.524 8.508 17.640 1.00 0.00 C ATOM 539 C ALA A 38 -1.064 7.977 18.995 1.00 0.00 C ATOM 540 O ALA A 38 -1.325 8.588 20.031 1.00 0.00 O ATOM 541 CB ALA A 38 -3.000 8.207 17.426 1.00 0.00 C ATOM 0 H ALA A 38 -1.261 7.365 15.903 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.378 9.588 17.640 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.580 8.631 18.246 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.328 8.646 16.484 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.150 7.128 17.395 1.00 0.00 H new ATOM 547 N ARG A 39 -0.382 6.835 18.982 1.00 0.00 N ATOM 548 CA ARG A 39 0.107 6.226 20.214 1.00 0.00 C ATOM 549 C ARG A 39 1.611 6.431 20.377 1.00 0.00 C ATOM 550 O ARG A 39 2.137 6.360 21.487 1.00 0.00 O ATOM 551 CB ARG A 39 -0.220 4.732 20.233 1.00 0.00 C ATOM 552 CG ARG A 39 0.090 4.056 21.559 1.00 0.00 C ATOM 553 CD ARG A 39 -0.983 4.348 22.596 1.00 0.00 C ATOM 554 NE ARG A 39 -1.327 3.161 23.375 1.00 0.00 N ATOM 555 CZ ARG A 39 -2.446 3.041 24.089 1.00 0.00 C ATOM 556 NH1 ARG A 39 -3.327 4.033 24.126 1.00 0.00 N ATOM 557 NH2 ARG A 39 -2.682 1.928 24.767 1.00 0.00 N ATOM 0 H ARG A 39 -0.156 6.314 18.134 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.395 6.715 21.049 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.277 4.597 20.005 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.342 4.236 19.442 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.170 2.979 21.410 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.057 4.400 21.927 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.635 5.134 23.267 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.876 4.726 22.098 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.673 2.379 23.372 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.149 4.893 23.606 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.182 3.936 24.674 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.008 1.163 24.743 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.538 1.836 25.314 1.00 0.00 H new ATOM 571 N PHE A 40 2.298 6.681 19.268 1.00 0.00 N ATOM 572 CA PHE A 40 3.741 6.891 19.298 1.00 0.00 C ATOM 573 C PHE A 40 4.097 8.315 18.880 1.00 0.00 C ATOM 574 O PHE A 40 3.689 8.778 17.814 1.00 0.00 O ATOM 575 CB PHE A 40 4.437 5.889 18.381 1.00 0.00 C ATOM 576 CG PHE A 40 4.414 4.480 18.902 1.00 0.00 C ATOM 577 CD1 PHE A 40 4.689 4.215 20.234 1.00 0.00 C ATOM 578 CD2 PHE A 40 4.116 3.421 18.061 1.00 0.00 C ATOM 579 CE1 PHE A 40 4.667 2.920 20.717 1.00 0.00 C ATOM 580 CE2 PHE A 40 4.093 2.124 18.536 1.00 0.00 C ATOM 581 CZ PHE A 40 4.368 1.873 19.866 1.00 0.00 C ATOM 0 H PHE A 40 1.881 6.743 18.339 1.00 0.00 H new ATOM 0 HA PHE A 40 4.084 6.739 20.321 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.960 5.913 17.401 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.473 6.198 18.239 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.923 5.030 20.903 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.899 3.612 17.020 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.883 2.727 21.757 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.860 1.308 17.868 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.349 0.860 20.240 1.00 0.00 H new ATOM 591 N THR A 41 4.860 9.001 19.724 1.00 0.00 N ATOM 592 CA THR A 41 5.273 10.371 19.442 1.00 0.00 C ATOM 593 C THR A 41 6.358 10.822 20.416 1.00 0.00 C ATOM 594 O THR A 41 6.073 11.484 21.414 1.00 0.00 O ATOM 595 CB THR A 41 4.072 11.314 19.523 1.00 0.00 C ATOM 596 OG1 THR A 41 3.138 10.854 20.483 1.00 0.00 O ATOM 597 CG2 THR A 41 3.341 11.467 18.207 1.00 0.00 C ATOM 0 H THR A 41 5.205 8.631 20.609 1.00 0.00 H new ATOM 0 HA THR A 41 5.681 10.402 18.432 1.00 0.00 H new ATOM 0 HB THR A 41 4.484 12.283 19.805 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.378 11.471 20.522 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.500 12.149 18.335 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.023 11.868 17.457 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.973 10.495 17.880 1.00 0.00 H new ATOM 605 N LYS A 42 7.601 10.459 20.118 1.00 0.00 N ATOM 606 CA LYS A 42 8.730 10.825 20.967 1.00 0.00 C ATOM 607 C LYS A 42 9.916 11.286 20.126 1.00 0.00 C ATOM 608 O LYS A 42 11.071 11.079 20.497 1.00 0.00 O ATOM 609 CB LYS A 42 9.140 9.642 21.847 1.00 0.00 C ATOM 610 CG LYS A 42 8.435 9.615 23.193 1.00 0.00 C ATOM 611 CD LYS A 42 8.108 8.194 23.622 1.00 0.00 C ATOM 612 CE LYS A 42 6.932 7.633 22.840 1.00 0.00 C ATOM 613 NZ LYS A 42 6.883 6.147 22.900 1.00 0.00 N ATOM 0 H LYS A 42 7.853 9.912 19.295 1.00 0.00 H new ATOM 0 HA LYS A 42 8.419 11.651 21.606 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.928 8.714 21.316 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.217 9.677 22.011 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.067 10.087 23.945 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.517 10.199 23.136 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.981 7.558 23.474 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.879 8.178 24.687 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.003 8.043 23.237 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.002 7.952 21.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.067 5.804 22.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.758 5.754 22.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.790 5.842 23.890 1.00 0.00 H new ATOM 627 N GLY A 43 9.622 11.911 18.992 1.00 0.00 N ATOM 628 CA GLY A 43 10.674 12.392 18.115 1.00 0.00 C ATOM 629 C GLY A 43 11.218 11.306 17.210 1.00 0.00 C ATOM 630 O GLY A 43 10.642 10.222 17.115 1.00 0.00 O ATOM 0 H GLY A 43 8.674 12.094 18.664 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.289 13.209 17.505 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.486 12.799 18.717 1.00 0.00 H new ATOM 634 N GLN A 44 12.331 11.595 16.543 1.00 0.00 N ATOM 635 CA GLN A 44 12.954 10.635 15.640 1.00 0.00 C ATOM 636 C GLN A 44 11.996 10.240 14.519 1.00 0.00 C ATOM 637 O GLN A 44 12.056 9.123 14.004 1.00 0.00 O ATOM 638 CB GLN A 44 13.396 9.389 16.410 1.00 0.00 C ATOM 639 CG GLN A 44 14.739 9.549 17.105 1.00 0.00 C ATOM 640 CD GLN A 44 14.638 9.424 18.612 1.00 0.00 C ATOM 641 OE1 GLN A 44 14.054 8.471 19.130 1.00 0.00 O ATOM 642 NE2 GLN A 44 15.207 10.388 19.326 1.00 0.00 N ATOM 0 H GLN A 44 12.820 12.488 16.611 1.00 0.00 H new ATOM 0 HA GLN A 44 13.829 11.109 15.196 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.638 9.144 17.154 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.451 8.546 15.721 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.430 8.795 16.728 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.160 10.522 16.853 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.681 11.159 18.856 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.171 10.357 20.345 1.00 0.00 H new ATOM 651 N GLN A 45 11.113 11.161 14.147 1.00 0.00 N ATOM 652 CA GLN A 45 10.144 10.907 13.089 1.00 0.00 C ATOM 653 C GLN A 45 9.258 9.714 13.434 1.00 0.00 C ATOM 654 O GLN A 45 9.620 8.566 13.179 1.00 0.00 O ATOM 655 CB GLN A 45 10.862 10.660 11.760 1.00 0.00 C ATOM 656 CG GLN A 45 10.320 11.495 10.613 1.00 0.00 C ATOM 657 CD GLN A 45 11.245 12.636 10.235 1.00 0.00 C ATOM 658 OE1 GLN A 45 11.448 12.920 9.054 1.00 0.00 O ATOM 659 NE2 GLN A 45 11.811 13.295 11.237 1.00 0.00 N ATOM 0 H GLN A 45 11.049 12.090 14.563 1.00 0.00 H new ATOM 0 HA GLN A 45 9.510 11.788 12.993 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.923 10.874 11.885 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.778 9.604 11.502 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.164 10.855 9.744 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.346 11.898 10.890 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.614 13.025 12.201 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.443 14.072 11.044 1.00 0.00 H new ATOM 668 N ARG A 46 8.099 9.993 14.020 1.00 0.00 N ATOM 669 CA ARG A 46 7.163 8.942 14.403 1.00 0.00 C ATOM 670 C ARG A 46 6.757 8.100 13.197 1.00 0.00 C ATOM 671 O ARG A 46 6.395 6.932 13.339 1.00 0.00 O ATOM 672 CB ARG A 46 5.920 9.549 15.059 1.00 0.00 C ATOM 673 CG ARG A 46 5.253 10.627 14.222 1.00 0.00 C ATOM 674 CD ARG A 46 4.061 11.232 14.945 1.00 0.00 C ATOM 675 NE ARG A 46 3.207 12.005 14.046 1.00 0.00 N ATOM 676 CZ ARG A 46 3.488 13.238 13.632 1.00 0.00 C ATOM 677 NH1 ARG A 46 4.599 13.842 14.034 1.00 0.00 N ATOM 678 NH2 ARG A 46 2.655 13.869 12.816 1.00 0.00 N ATOM 0 H ARG A 46 7.785 10.938 14.240 1.00 0.00 H new ATOM 0 HA ARG A 46 7.664 8.292 15.121 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.199 8.755 15.255 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.199 9.971 16.024 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.976 11.409 13.991 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.927 10.203 13.272 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.475 10.437 15.406 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.415 11.875 15.751 1.00 0.00 H new ATOM 0 HE ARG A 46 2.344 11.574 13.716 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.242 13.361 14.663 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.810 14.787 13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.799 13.409 12.506 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.870 14.814 12.499 1.00 0.00 H new ATOM 692 N PHE A 47 6.821 8.696 12.009 1.00 0.00 N ATOM 693 CA PHE A 47 6.459 7.997 10.782 1.00 0.00 C ATOM 694 C PHE A 47 7.387 6.810 10.538 1.00 0.00 C ATOM 695 O PHE A 47 6.935 5.698 10.267 1.00 0.00 O ATOM 696 CB PHE A 47 6.514 8.953 9.588 1.00 0.00 C ATOM 697 CG PHE A 47 5.386 9.943 9.560 1.00 0.00 C ATOM 698 CD1 PHE A 47 4.142 9.583 9.064 1.00 0.00 C ATOM 699 CD2 PHE A 47 5.568 11.234 10.028 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.104 10.492 9.035 1.00 0.00 C ATOM 701 CE2 PHE A 47 4.532 12.148 10.003 1.00 0.00 C ATOM 702 CZ PHE A 47 3.298 11.777 9.505 1.00 0.00 C ATOM 0 H PHE A 47 7.120 9.661 11.871 1.00 0.00 H new ATOM 0 HA PHE A 47 5.441 7.624 10.894 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.460 9.493 9.609 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.499 8.371 8.666 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.984 8.580 8.696 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.531 11.530 10.417 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.140 10.199 8.645 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.687 13.151 10.372 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.487 12.490 9.483 1.00 0.00 H new ATOM 712 N GLN A 48 8.688 7.055 10.633 1.00 0.00 N ATOM 713 CA GLN A 48 9.672 6.002 10.423 1.00 0.00 C ATOM 714 C GLN A 48 9.648 5.001 11.575 1.00 0.00 C ATOM 715 O GLN A 48 9.613 3.789 11.356 1.00 0.00 O ATOM 716 CB GLN A 48 11.072 6.605 10.276 1.00 0.00 C ATOM 717 CG GLN A 48 11.661 6.437 8.886 1.00 0.00 C ATOM 718 CD GLN A 48 12.775 7.425 8.600 1.00 0.00 C ATOM 719 OE1 GLN A 48 12.532 8.525 8.103 1.00 0.00 O ATOM 720 NE2 GLN A 48 14.005 7.036 8.912 1.00 0.00 N ATOM 0 H GLN A 48 9.084 7.969 10.853 1.00 0.00 H new ATOM 0 HA GLN A 48 9.417 5.474 9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.029 7.667 10.518 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.738 6.139 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.044 5.422 8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.872 6.560 8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.160 6.115 9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.795 7.658 8.741 1.00 0.00 H new ATOM 729 N GLN A 49 9.670 5.516 12.801 1.00 0.00 N ATOM 730 CA GLN A 49 9.653 4.667 13.988 1.00 0.00 C ATOM 731 C GLN A 49 8.402 3.793 14.013 1.00 0.00 C ATOM 732 O GLN A 49 8.483 2.575 14.189 1.00 0.00 O ATOM 733 CB GLN A 49 9.715 5.523 15.254 1.00 0.00 C ATOM 734 CG GLN A 49 10.207 4.766 16.476 1.00 0.00 C ATOM 735 CD GLN A 49 10.120 5.591 17.746 1.00 0.00 C ATOM 736 OE1 GLN A 49 11.103 5.737 18.473 1.00 0.00 O ATOM 737 NE2 GLN A 49 8.940 6.136 18.018 1.00 0.00 N ATOM 0 H GLN A 49 9.700 6.516 12.998 1.00 0.00 H new ATOM 0 HA GLN A 49 10.528 4.018 13.953 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.372 6.374 15.075 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.723 5.924 15.460 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.619 3.856 16.597 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.241 4.458 16.317 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.152 5.988 17.387 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.821 6.702 18.858 1.00 0.00 H new ATOM 746 N ILE A 50 7.245 4.420 13.829 1.00 0.00 N ATOM 747 CA ILE A 50 5.984 3.692 13.826 1.00 0.00 C ATOM 748 C ILE A 50 5.992 2.625 12.738 1.00 0.00 C ATOM 749 O ILE A 50 5.480 1.523 12.932 1.00 0.00 O ATOM 750 CB ILE A 50 4.778 4.639 13.638 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.478 3.939 14.048 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.694 5.135 12.202 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.068 2.813 13.123 1.00 0.00 C ATOM 0 H ILE A 50 7.155 5.425 13.681 1.00 0.00 H new ATOM 0 HA ILE A 50 5.878 3.211 14.798 1.00 0.00 H new ATOM 0 HB ILE A 50 4.921 5.505 14.284 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.593 3.543 15.057 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.676 4.676 14.084 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.837 5.800 12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.606 5.676 11.950 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.579 4.285 11.530 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.139 2.368 13.481 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.919 3.205 12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.850 2.054 13.105 1.00 0.00 H new ATOM 765 N TYR A 51 6.589 2.955 11.595 1.00 0.00 N ATOM 766 CA TYR A 51 6.672 2.012 10.488 1.00 0.00 C ATOM 767 C TYR A 51 7.477 0.786 10.897 1.00 0.00 C ATOM 768 O TYR A 51 7.159 -0.337 10.506 1.00 0.00 O ATOM 769 CB TYR A 51 7.306 2.658 9.256 1.00 0.00 C ATOM 770 CG TYR A 51 7.358 1.725 8.067 1.00 0.00 C ATOM 771 CD1 TYR A 51 6.196 1.348 7.408 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.566 1.209 7.615 1.00 0.00 C ATOM 773 CE1 TYR A 51 6.235 0.484 6.330 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.612 0.342 6.538 1.00 0.00 C ATOM 775 CZ TYR A 51 7.443 -0.015 5.901 1.00 0.00 C ATOM 776 OH TYR A 51 7.483 -0.880 4.831 1.00 0.00 O ATOM 0 H TYR A 51 7.019 3.862 11.414 1.00 0.00 H new ATOM 0 HA TYR A 51 5.657 1.709 10.233 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.740 3.550 8.988 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.317 2.983 9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.246 1.736 7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.483 1.489 8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.322 0.202 5.827 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.558 -0.053 6.198 1.00 0.00 H new ATOM 0 HH TYR A 51 6.628 -0.848 4.353 1.00 0.00 H new ATOM 786 N TYR A 52 8.519 1.008 11.692 1.00 0.00 N ATOM 787 CA TYR A 52 9.365 -0.082 12.161 1.00 0.00 C ATOM 788 C TYR A 52 8.555 -1.056 12.998 1.00 0.00 C ATOM 789 O TYR A 52 8.618 -2.268 12.796 1.00 0.00 O ATOM 790 CB TYR A 52 10.540 0.462 12.978 1.00 0.00 C ATOM 791 CG TYR A 52 11.748 0.821 12.141 1.00 0.00 C ATOM 792 CD1 TYR A 52 12.564 -0.168 11.606 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.075 2.147 11.891 1.00 0.00 C ATOM 794 CE1 TYR A 52 13.670 0.155 10.842 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.180 2.478 11.129 1.00 0.00 C ATOM 796 CZ TYR A 52 13.973 1.479 10.607 1.00 0.00 C ATOM 797 OH TYR A 52 15.073 1.805 9.848 1.00 0.00 O ATOM 0 H TYR A 52 8.797 1.932 12.024 1.00 0.00 H new ATOM 0 HA TYR A 52 9.760 -0.608 11.292 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.212 1.346 13.525 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.831 -0.282 13.720 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.330 -1.206 11.790 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.456 2.933 12.298 1.00 0.00 H new ATOM 0 HE1 TYR A 52 14.293 -0.626 10.432 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.421 3.514 10.944 1.00 0.00 H new ATOM 0 HH TYR A 52 15.144 2.780 9.777 1.00 0.00 H new ATOM 807 N ALA A 53 7.779 -0.518 13.928 1.00 0.00 N ATOM 808 CA ALA A 53 6.939 -1.344 14.782 1.00 0.00 C ATOM 809 C ALA A 53 5.788 -1.933 13.973 1.00 0.00 C ATOM 810 O ALA A 53 5.325 -3.041 14.240 1.00 0.00 O ATOM 811 CB ALA A 53 6.407 -0.528 15.950 1.00 0.00 C ATOM 0 H ALA A 53 7.714 0.484 14.110 1.00 0.00 H new ATOM 0 HA ALA A 53 7.540 -2.162 15.180 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.780 -1.160 16.580 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.242 -0.145 16.537 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.817 0.307 15.572 1.00 0.00 H new ATOM 817 N TYR A 54 5.340 -1.174 12.978 1.00 0.00 N ATOM 818 CA TYR A 54 4.247 -1.599 12.111 1.00 0.00 C ATOM 819 C TYR A 54 4.728 -2.603 11.057 1.00 0.00 C ATOM 820 O TYR A 54 3.917 -3.190 10.340 1.00 0.00 O ATOM 821 CB TYR A 54 3.612 -0.367 11.446 1.00 0.00 C ATOM 822 CG TYR A 54 3.009 -0.621 10.078 1.00 0.00 C ATOM 823 CD1 TYR A 54 1.787 -1.268 9.942 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.664 -0.207 8.925 1.00 0.00 C ATOM 825 CE1 TYR A 54 1.236 -1.495 8.696 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.119 -0.431 7.676 1.00 0.00 C ATOM 827 CZ TYR A 54 1.906 -1.074 7.566 1.00 0.00 C ATOM 828 OH TYR A 54 1.361 -1.298 6.323 1.00 0.00 O ATOM 0 H TYR A 54 5.720 -0.255 12.751 1.00 0.00 H new ATOM 0 HA TYR A 54 3.496 -2.105 12.718 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.835 0.023 12.103 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.371 0.410 11.354 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.260 -1.599 10.825 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.615 0.298 9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.285 -2.000 8.607 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.642 -0.103 6.789 1.00 0.00 H new ATOM 0 HH TYR A 54 1.959 -0.939 5.634 1.00 0.00 H new ATOM 838 N ARG A 55 6.045 -2.799 10.960 1.00 0.00 N ATOM 839 CA ARG A 55 6.609 -3.733 9.986 1.00 0.00 C ATOM 840 C ARG A 55 5.973 -5.115 10.116 1.00 0.00 C ATOM 841 O ARG A 55 5.764 -5.807 9.119 1.00 0.00 O ATOM 842 CB ARG A 55 8.123 -3.845 10.165 1.00 0.00 C ATOM 843 CG ARG A 55 8.911 -2.820 9.365 1.00 0.00 C ATOM 844 CD ARG A 55 10.222 -3.401 8.859 1.00 0.00 C ATOM 845 NE ARG A 55 11.310 -3.214 9.818 1.00 0.00 N ATOM 846 CZ ARG A 55 12.411 -3.962 9.848 1.00 0.00 C ATOM 847 NH1 ARG A 55 12.577 -4.949 8.976 1.00 0.00 N ATOM 848 NH2 ARG A 55 13.349 -3.724 10.753 1.00 0.00 N ATOM 0 H ARG A 55 6.737 -2.326 11.541 1.00 0.00 H new ATOM 0 HA ARG A 55 6.393 -3.344 8.991 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.364 -3.731 11.222 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.442 -4.845 9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.313 -2.477 8.521 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.114 -1.948 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.094 -4.465 8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.487 -2.928 7.913 1.00 0.00 H new ATOM 0 HE ARG A 55 11.220 -2.466 10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.859 -5.138 8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.423 -5.518 9.005 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.228 -2.968 11.427 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.193 -4.297 10.776 1.00 0.00 H new ATOM 862 N SER A 56 5.672 -5.510 11.348 1.00 0.00 N ATOM 863 CA SER A 56 5.064 -6.811 11.608 1.00 0.00 C ATOM 864 C SER A 56 3.773 -6.989 10.811 1.00 0.00 C ATOM 865 O SER A 56 3.345 -8.114 10.553 1.00 0.00 O ATOM 866 CB SER A 56 4.776 -6.971 13.102 1.00 0.00 C ATOM 867 OG SER A 56 4.589 -8.335 13.443 1.00 0.00 O ATOM 0 H SER A 56 5.839 -4.948 12.183 1.00 0.00 H new ATOM 0 HA SER A 56 5.770 -7.579 11.291 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.602 -6.558 13.681 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.885 -6.401 13.367 1.00 0.00 H new ATOM 0 HG SER A 56 4.408 -8.410 14.403 1.00 0.00 H new ATOM 873 N VAL A 57 3.159 -5.876 10.424 1.00 0.00 N ATOM 874 CA VAL A 57 1.918 -5.916 9.660 1.00 0.00 C ATOM 875 C VAL A 57 2.189 -6.101 8.170 1.00 0.00 C ATOM 876 O VAL A 57 1.957 -7.176 7.617 1.00 0.00 O ATOM 877 CB VAL A 57 1.091 -4.633 9.864 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.236 -4.717 9.121 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.868 -4.381 11.345 1.00 0.00 C ATOM 0 H VAL A 57 3.500 -4.936 10.627 1.00 0.00 H new ATOM 0 HA VAL A 57 1.350 -6.770 10.030 1.00 0.00 H new ATOM 0 HB VAL A 57 1.650 -3.793 9.451 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.801 -3.799 9.281 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.049 -4.847 8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.809 -5.566 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.282 -3.471 11.475 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.331 -5.224 11.781 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.831 -4.267 11.844 1.00 0.00 H new ATOM 889 N TRP A 58 2.678 -5.047 7.524 1.00 0.00 N ATOM 890 CA TRP A 58 2.970 -5.099 6.099 1.00 0.00 C ATOM 891 C TRP A 58 4.468 -4.966 5.839 1.00 0.00 C ATOM 892 O TRP A 58 5.202 -4.404 6.653 1.00 0.00 O ATOM 893 CB TRP A 58 2.210 -3.996 5.359 1.00 0.00 C ATOM 894 CG TRP A 58 1.543 -4.472 4.105 1.00 0.00 C ATOM 895 CD1 TRP A 58 1.027 -5.715 3.870 1.00 0.00 C ATOM 896 CD2 TRP A 58 1.319 -3.712 2.912 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.497 -5.774 2.604 1.00 0.00 N ATOM 898 CE2 TRP A 58 0.664 -4.557 1.995 1.00 0.00 C ATOM 899 CE3 TRP A 58 1.609 -2.399 2.531 1.00 0.00 C ATOM 900 CZ2 TRP A 58 0.295 -4.130 0.723 1.00 0.00 C ATOM 901 CZ3 TRP A 58 1.241 -1.976 1.266 1.00 0.00 C ATOM 902 CH2 TRP A 58 0.590 -2.840 0.375 1.00 0.00 C ATOM 0 H TRP A 58 2.879 -4.150 7.965 1.00 0.00 H new ATOM 0 HA TRP A 58 2.643 -6.069 5.725 1.00 0.00 H new ATOM 0 HB2 TRP A 58 1.457 -3.574 6.025 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.902 -3.192 5.111 1.00 0.00 H new ATOM 0 HD1 TRP A 58 1.035 -6.532 4.576 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.052 -6.590 2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.111 -1.727 3.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.207 -4.794 0.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.459 -0.963 0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.316 -2.480 -0.606 1.00 0.00 H new ATOM 913 N HIS A 59 4.914 -5.483 4.698 1.00 0.00 N ATOM 914 CA HIS A 59 6.324 -5.421 4.327 1.00 0.00 C ATOM 915 C HIS A 59 6.552 -6.026 2.942 1.00 0.00 C ATOM 916 O HIS A 59 7.315 -6.981 2.789 1.00 0.00 O ATOM 917 CB HIS A 59 7.178 -6.154 5.365 1.00 0.00 C ATOM 918 CG HIS A 59 8.608 -5.711 5.377 1.00 0.00 C ATOM 919 ND1 HIS A 59 9.290 -5.335 4.237 1.00 0.00 N ATOM 920 CD2 HIS A 59 9.488 -5.584 6.399 1.00 0.00 C ATOM 921 CE1 HIS A 59 10.526 -4.996 4.558 1.00 0.00 C ATOM 922 NE2 HIS A 59 10.672 -5.137 5.863 1.00 0.00 N ATOM 0 H HIS A 59 4.319 -5.950 4.014 1.00 0.00 H new ATOM 0 HA HIS A 59 6.620 -4.372 4.297 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.748 -5.997 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 59 7.139 -7.225 5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.295 -5.795 7.441 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.288 -4.660 3.870 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.525 -4.945 6.388 1.00 0.00 H new ATOM 931 N PRO A 60 5.887 -5.478 1.910 1.00 0.00 N ATOM 932 CA PRO A 60 6.020 -5.970 0.535 1.00 0.00 C ATOM 933 C PRO A 60 7.458 -5.899 0.023 1.00 0.00 C ATOM 934 O PRO A 60 8.140 -6.921 -0.072 1.00 0.00 O ATOM 935 CB PRO A 60 5.109 -5.041 -0.279 1.00 0.00 C ATOM 936 CG PRO A 60 4.878 -3.851 0.587 1.00 0.00 C ATOM 937 CD PRO A 60 4.956 -4.343 2.004 1.00 0.00 C ATOM 0 HA PRO A 60 5.746 -7.022 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.579 -4.756 -1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.169 -5.533 -0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.628 -3.082 0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.905 -3.404 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.327 -3.572 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.980 -4.652 2.378 1.00 0.00 H new ATOM 945 N ALA A 61 7.915 -4.695 -0.308 1.00 0.00 N ATOM 946 CA ALA A 61 9.273 -4.507 -0.811 1.00 0.00 C ATOM 947 C ALA A 61 10.002 -3.404 -0.042 1.00 0.00 C ATOM 948 O ALA A 61 10.696 -3.677 0.937 1.00 0.00 O ATOM 949 CB ALA A 61 9.244 -4.199 -2.301 1.00 0.00 C ATOM 0 H ALA A 61 7.368 -3.837 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 61 9.824 -5.435 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.263 -4.061 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.778 -5.027 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.671 -3.288 -2.473 1.00 0.00 H new ATOM 955 N ARG A 62 9.843 -2.160 -0.487 1.00 0.00 N ATOM 956 CA ARG A 62 10.489 -1.025 0.167 1.00 0.00 C ATOM 957 C ARG A 62 10.076 -0.946 1.632 1.00 0.00 C ATOM 958 O ARG A 62 9.368 -1.821 2.131 1.00 0.00 O ATOM 959 CB ARG A 62 10.132 0.277 -0.550 1.00 0.00 C ATOM 960 CG ARG A 62 11.091 0.635 -1.675 1.00 0.00 C ATOM 961 CD ARG A 62 10.673 1.914 -2.382 1.00 0.00 C ATOM 962 NE ARG A 62 10.755 1.787 -3.835 1.00 0.00 N ATOM 963 CZ ARG A 62 10.241 2.672 -4.687 1.00 0.00 C ATOM 964 NH1 ARG A 62 9.609 3.749 -4.235 1.00 0.00 N ATOM 965 NH2 ARG A 62 10.360 2.480 -5.992 1.00 0.00 N ATOM 0 H ARG A 62 9.274 -1.913 -1.296 1.00 0.00 H new ATOM 0 HA ARG A 62 11.568 -1.169 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.124 0.194 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.117 1.090 0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.097 0.754 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.130 -0.183 -2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.652 2.169 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.310 2.735 -2.053 1.00 0.00 H new ATOM 0 HE ARG A 62 11.234 0.973 -4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.515 3.902 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.217 4.424 -4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.845 1.655 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.967 3.157 -6.645 1.00 0.00 H new ATOM 979 N THR A 63 10.518 0.101 2.323 1.00 0.00 N ATOM 980 CA THR A 63 10.181 0.269 3.732 1.00 0.00 C ATOM 981 C THR A 63 9.551 1.634 3.996 1.00 0.00 C ATOM 982 O THR A 63 8.362 1.823 3.743 1.00 0.00 O ATOM 983 CB THR A 63 11.422 0.056 4.607 1.00 0.00 C ATOM 984 OG1 THR A 63 12.584 0.539 3.954 1.00 0.00 O ATOM 985 CG2 THR A 63 11.664 -1.395 4.959 1.00 0.00 C ATOM 0 H THR A 63 11.105 0.839 1.934 1.00 0.00 H new ATOM 0 HA THR A 63 9.440 -0.486 3.995 1.00 0.00 H new ATOM 0 HB THR A 63 11.226 0.608 5.526 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.365 0.396 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.557 -1.475 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.806 -1.785 5.507 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.804 -1.973 4.045 1.00 0.00 H new ATOM 993 N VAL A 64 10.334 2.589 4.500 1.00 0.00 N ATOM 994 CA VAL A 64 9.804 3.918 4.776 1.00 0.00 C ATOM 995 C VAL A 64 9.079 4.457 3.549 1.00 0.00 C ATOM 996 O VAL A 64 8.142 5.248 3.664 1.00 0.00 O ATOM 997 CB VAL A 64 10.913 4.898 5.212 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.371 6.316 5.330 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.517 4.445 6.531 1.00 0.00 C ATOM 0 H VAL A 64 11.322 2.467 4.721 1.00 0.00 H new ATOM 0 HA VAL A 64 9.099 3.829 5.603 1.00 0.00 H new ATOM 0 HB VAL A 64 11.692 4.900 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.172 6.987 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.980 6.638 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.572 6.340 6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.299 5.142 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.741 4.418 7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.945 3.449 6.413 1.00 0.00 H new ATOM 1009 N SER A 65 9.498 3.994 2.374 1.00 0.00 N ATOM 1010 CA SER A 65 8.865 4.402 1.132 1.00 0.00 C ATOM 1011 C SER A 65 7.443 3.863 1.095 1.00 0.00 C ATOM 1012 O SER A 65 6.509 4.554 0.681 1.00 0.00 O ATOM 1013 CB SER A 65 9.657 3.888 -0.072 1.00 0.00 C ATOM 1014 OG SER A 65 9.403 4.673 -1.224 1.00 0.00 O ATOM 0 H SER A 65 10.271 3.338 2.260 1.00 0.00 H new ATOM 0 HA SER A 65 8.844 5.491 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.723 3.906 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.390 2.850 -0.270 1.00 0.00 H new ATOM 0 HG SER A 65 10.253 4.941 -1.631 1.00 0.00 H new ATOM 1020 N GLN A 66 7.280 2.628 1.563 1.00 0.00 N ATOM 1021 CA GLN A 66 5.966 2.011 1.607 1.00 0.00 C ATOM 1022 C GLN A 66 5.076 2.782 2.570 1.00 0.00 C ATOM 1023 O GLN A 66 3.894 3.002 2.304 1.00 0.00 O ATOM 1024 CB GLN A 66 6.079 0.545 2.035 1.00 0.00 C ATOM 1025 CG GLN A 66 5.864 -0.440 0.895 1.00 0.00 C ATOM 1026 CD GLN A 66 6.738 -0.152 -0.314 1.00 0.00 C ATOM 1027 OE1 GLN A 66 7.091 0.997 -0.582 1.00 0.00 O ATOM 1028 NE2 GLN A 66 7.089 -1.196 -1.053 1.00 0.00 N ATOM 0 H GLN A 66 8.038 2.042 1.914 1.00 0.00 H new ATOM 0 HA GLN A 66 5.522 2.040 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.065 0.377 2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.348 0.346 2.819 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.069 -1.450 1.252 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.817 -0.415 0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.775 -2.132 -0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.673 -1.063 -1.879 1.00 0.00 H new ATOM 1037 N LEU A 67 5.668 3.212 3.681 1.00 0.00 N ATOM 1038 CA LEU A 67 4.948 3.986 4.685 1.00 0.00 C ATOM 1039 C LEU A 67 4.322 5.211 4.039 1.00 0.00 C ATOM 1040 O LEU A 67 3.143 5.502 4.242 1.00 0.00 O ATOM 1041 CB LEU A 67 5.899 4.405 5.810 1.00 0.00 C ATOM 1042 CG LEU A 67 5.229 4.983 7.060 1.00 0.00 C ATOM 1043 CD1 LEU A 67 4.552 6.307 6.742 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.229 3.992 7.642 1.00 0.00 C ATOM 0 H LEU A 67 6.647 3.036 3.908 1.00 0.00 H new ATOM 0 HA LEU A 67 4.157 3.369 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.490 3.538 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.595 5.146 5.417 1.00 0.00 H new ATOM 0 HG LEU A 67 6.001 5.166 7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.082 6.701 7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.295 7.018 6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.793 6.153 5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.765 4.422 8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.461 3.772 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.745 3.071 7.913 1.00 0.00 H new ATOM 1056 N TYR A 68 5.117 5.908 3.244 1.00 0.00 N ATOM 1057 CA TYR A 68 4.643 7.089 2.543 1.00 0.00 C ATOM 1058 C TYR A 68 3.564 6.693 1.543 1.00 0.00 C ATOM 1059 O TYR A 68 2.675 7.485 1.228 1.00 0.00 O ATOM 1060 CB TYR A 68 5.801 7.788 1.828 1.00 0.00 C ATOM 1061 CG TYR A 68 6.679 8.612 2.746 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.844 8.271 4.084 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.346 9.734 2.270 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.647 9.022 4.921 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.151 10.492 3.100 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.298 10.132 4.423 1.00 0.00 C ATOM 1067 OH TYR A 68 9.098 10.884 5.253 1.00 0.00 O ATOM 0 H TYR A 68 6.095 5.676 3.068 1.00 0.00 H new ATOM 0 HA TYR A 68 4.220 7.785 3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.415 7.037 1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.397 8.435 1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.335 7.403 4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.234 10.019 1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.764 8.742 5.958 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.662 11.362 2.714 1.00 0.00 H new ATOM 0 HH TYR A 68 9.484 11.630 4.748 1.00 0.00 H new ATOM 1077 N ASP A 69 3.647 5.460 1.050 1.00 0.00 N ATOM 1078 CA ASP A 69 2.675 4.955 0.089 1.00 0.00 C ATOM 1079 C ASP A 69 1.291 4.839 0.718 1.00 0.00 C ATOM 1080 O ASP A 69 0.308 5.326 0.158 1.00 0.00 O ATOM 1081 CB ASP A 69 3.122 3.600 -0.465 1.00 0.00 C ATOM 1082 CG ASP A 69 3.508 3.672 -1.929 1.00 0.00 C ATOM 1083 OD1 ASP A 69 2.984 4.558 -2.639 1.00 0.00 O ATOM 1084 OD2 ASP A 69 4.332 2.844 -2.367 1.00 0.00 O ATOM 0 H ASP A 69 4.377 4.794 1.301 1.00 0.00 H new ATOM 0 HA ASP A 69 2.616 5.667 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.971 3.236 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.317 2.876 -0.340 1.00 0.00 H new ATOM 1089 N HIS A 70 1.215 4.213 1.887 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.069 4.072 2.574 1.00 0.00 C ATOM 1091 C HIS A 70 -0.447 5.390 3.230 1.00 0.00 C ATOM 1092 O HIS A 70 -1.625 5.724 3.354 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.056 2.952 3.629 1.00 0.00 C ATOM 1094 CG HIS A 70 1.172 2.100 3.630 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.199 2.275 4.528 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.529 1.053 2.849 1.00 0.00 C ATOM 1097 CE1 HIS A 70 3.137 1.377 4.302 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.756 0.620 3.290 1.00 0.00 N ATOM 0 H HIS A 70 2.011 3.801 2.374 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.809 3.798 1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.169 3.401 4.616 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.924 2.312 3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.957 0.637 2.033 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.061 1.277 4.852 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.286 -0.159 2.899 1.00 0.00 H new ATOM 1107 N TRP A 71 0.569 6.141 3.637 1.00 0.00 N ATOM 1108 CA TRP A 71 0.362 7.430 4.270 1.00 0.00 C ATOM 1109 C TRP A 71 -0.086 8.462 3.237 1.00 0.00 C ATOM 1110 O TRP A 71 -0.841 9.382 3.552 1.00 0.00 O ATOM 1111 CB TRP A 71 1.648 7.884 4.962 1.00 0.00 C ATOM 1112 CG TRP A 71 1.554 9.255 5.564 1.00 0.00 C ATOM 1113 CD1 TRP A 71 2.448 10.276 5.417 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.508 9.753 6.406 1.00 0.00 C ATOM 1115 NE1 TRP A 71 2.022 11.381 6.117 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.834 11.084 6.732 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -0.673 9.205 6.915 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 0.022 11.871 7.543 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -1.478 9.989 7.721 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -1.128 11.310 8.028 1.00 0.00 C ATOM 0 H TRP A 71 1.548 5.874 3.537 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.423 7.334 5.020 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.901 7.169 5.745 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.464 7.869 4.240 1.00 0.00 H new ATOM 0 HD1 TRP A 71 3.357 10.224 4.836 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.510 12.275 6.170 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.952 8.188 6.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.290 12.890 7.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.392 9.576 8.121 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.778 11.897 8.660 1.00 0.00 H new ATOM 1131 N ARG A 72 0.378 8.295 2.000 1.00 0.00 N ATOM 1132 CA ARG A 72 0.017 9.208 0.922 1.00 0.00 C ATOM 1133 C ARG A 72 -1.392 8.910 0.421 1.00 0.00 C ATOM 1134 O ARG A 72 -2.147 9.820 0.081 1.00 0.00 O ATOM 1135 CB ARG A 72 1.017 9.097 -0.230 1.00 0.00 C ATOM 1136 CG ARG A 72 0.710 10.029 -1.393 1.00 0.00 C ATOM 1137 CD ARG A 72 1.725 11.156 -1.491 1.00 0.00 C ATOM 1138 NE ARG A 72 2.732 10.898 -2.517 1.00 0.00 N ATOM 1139 CZ ARG A 72 3.715 11.743 -2.819 1.00 0.00 C ATOM 1140 NH1 ARG A 72 3.828 12.898 -2.178 1.00 0.00 N ATOM 1141 NH2 ARG A 72 4.588 11.430 -3.768 1.00 0.00 N ATOM 0 H ARG A 72 1.003 7.538 1.722 1.00 0.00 H new ATOM 0 HA ARG A 72 0.043 10.226 1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.017 9.315 0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.029 8.069 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.705 9.461 -2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.289 10.448 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.209 12.090 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.216 11.287 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 72 2.679 10.019 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.159 13.144 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.584 13.541 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.505 10.543 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.342 12.076 -4.001 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.736 7.628 0.386 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.055 7.226 -0.066 1.00 0.00 C ATOM 1157 C GLY A 73 -4.131 7.540 0.953 1.00 0.00 C ATOM 1158 O GLY A 73 -5.283 7.784 0.594 1.00 0.00 O ATOM 0 H GLY A 73 -1.125 6.859 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.286 7.733 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.055 6.156 -0.274 1.00 0.00 H new ATOM 1162 N THR A 74 -3.753 7.536 2.228 1.00 0.00 N ATOM 1163 CA THR A 74 -4.694 7.826 3.303 1.00 0.00 C ATOM 1164 C THR A 74 -4.953 9.325 3.403 1.00 0.00 C ATOM 1165 O THR A 74 -6.096 9.758 3.557 1.00 0.00 O ATOM 1166 CB THR A 74 -4.158 7.297 4.635 1.00 0.00 C ATOM 1167 OG1 THR A 74 -3.840 5.921 4.536 1.00 0.00 O ATOM 1168 CG2 THR A 74 -5.133 7.462 5.780 1.00 0.00 C ATOM 0 H THR A 74 -2.803 7.335 2.541 1.00 0.00 H new ATOM 0 HA THR A 74 -5.636 7.326 3.076 1.00 0.00 H new ATOM 0 HB THR A 74 -3.270 7.893 4.847 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.110 5.799 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.691 7.067 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.361 8.519 5.915 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.051 6.919 5.557 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.886 10.112 3.311 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.999 11.565 3.389 1.00 0.00 C ATOM 1178 C LEU A 75 -4.902 12.101 2.282 1.00 0.00 C ATOM 1179 O LEU A 75 -5.808 12.895 2.536 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.616 12.212 3.293 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.463 13.528 4.059 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -1.058 13.656 4.627 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -2.781 14.708 3.152 1.00 0.00 C ATOM 0 H LEU A 75 -2.934 9.769 3.182 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.444 11.818 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.874 11.505 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.388 12.392 2.242 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.169 13.528 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.969 14.598 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.864 12.827 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.333 13.635 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.668 15.637 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.097 14.709 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.806 14.624 2.792 1.00 0.00 H new ATOM 1195 N ARG A 76 -4.646 11.663 1.054 1.00 0.00 N ATOM 1196 CA ARG A 76 -5.435 12.098 -0.094 1.00 0.00 C ATOM 1197 C ARG A 76 -6.390 10.998 -0.546 1.00 0.00 C ATOM 1198 O ARG A 76 -5.992 10.065 -1.242 1.00 0.00 O ATOM 1199 CB ARG A 76 -4.514 12.498 -1.249 1.00 0.00 C ATOM 1200 CG ARG A 76 -5.258 12.942 -2.498 1.00 0.00 C ATOM 1201 CD ARG A 76 -5.932 14.290 -2.295 1.00 0.00 C ATOM 1202 NE ARG A 76 -7.112 14.445 -3.144 1.00 0.00 N ATOM 1203 CZ ARG A 76 -7.663 15.619 -3.440 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -7.149 16.744 -2.957 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -8.734 15.671 -4.221 1.00 0.00 N ATOM 0 H ARG A 76 -3.898 11.007 0.827 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.025 12.964 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.862 13.306 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.873 11.653 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.562 13.004 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.007 12.195 -2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.221 14.397 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.221 15.087 -2.513 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.538 13.603 -3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.326 16.712 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.577 17.641 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.135 14.811 -4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.156 16.571 -4.448 1.00 0.00 H new ATOM 1219 N TYR A 77 -7.652 11.115 -0.143 1.00 0.00 N ATOM 1220 CA TYR A 77 -8.664 10.130 -0.507 1.00 0.00 C ATOM 1221 C TYR A 77 -9.952 10.812 -0.957 1.00 0.00 C ATOM 1222 O TYR A 77 -9.976 12.020 -1.194 1.00 0.00 O ATOM 1223 CB TYR A 77 -8.946 9.199 0.676 1.00 0.00 C ATOM 1224 CG TYR A 77 -8.754 7.732 0.355 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -9.134 7.215 -0.877 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -8.192 6.867 1.285 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -8.962 5.876 -1.173 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -8.015 5.528 0.997 1.00 0.00 C ATOM 1229 CZ TYR A 77 -8.401 5.038 -0.233 1.00 0.00 C ATOM 1230 OH TYR A 77 -8.225 3.704 -0.524 1.00 0.00 O ATOM 0 H TYR A 77 -7.997 11.881 0.435 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.281 9.540 -1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.291 9.469 1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.970 9.357 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.571 7.870 -1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.888 7.248 2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.265 5.489 -2.134 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.577 4.868 1.731 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.817 3.253 0.244 1.00 0.00 H new ATOM 1240 N LYS A 78 -11.021 10.031 -1.072 1.00 0.00 N ATOM 1241 CA LYS A 78 -12.313 10.560 -1.493 1.00 0.00 C ATOM 1242 C LYS A 78 -13.205 10.840 -0.289 1.00 0.00 C ATOM 1243 O LYS A 78 -12.929 10.384 0.821 1.00 0.00 O ATOM 1244 CB LYS A 78 -13.007 9.578 -2.438 1.00 0.00 C ATOM 1245 CG LYS A 78 -13.245 8.208 -1.825 1.00 0.00 C ATOM 1246 CD LYS A 78 -13.962 7.280 -2.791 1.00 0.00 C ATOM 1247 CE LYS A 78 -14.987 6.411 -2.079 1.00 0.00 C ATOM 1248 NZ LYS A 78 -14.576 4.981 -2.047 1.00 0.00 N ATOM 0 H LYS A 78 -11.018 9.029 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.138 11.498 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.963 9.999 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.403 9.464 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.291 7.767 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.836 8.314 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.458 7.870 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.233 6.645 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.124 6.772 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.950 6.501 -2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.301 4.422 -1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.470 4.628 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.669 4.892 -1.546 1.00 0.00 H new ATOM 1262 N VAL A 79 -14.278 11.593 -0.515 1.00 0.00 N ATOM 1263 CA VAL A 79 -15.212 11.933 0.550 1.00 0.00 C ATOM 1264 C VAL A 79 -16.579 11.305 0.303 1.00 0.00 C ATOM 1265 O VAL A 79 -17.064 10.510 1.110 1.00 0.00 O ATOM 1266 CB VAL A 79 -15.378 13.458 0.684 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -16.194 13.800 1.922 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -14.020 14.141 0.728 1.00 0.00 C ATOM 0 H VAL A 79 -14.521 11.979 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.795 11.537 1.476 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.916 13.824 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -16.301 14.882 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -17.180 13.343 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.686 13.421 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.157 15.218 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -13.454 13.771 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.474 13.924 -0.190 1.00 0.00 H new ATOM 1278 N ILE A 80 -17.198 11.667 -0.817 1.00 0.00 N ATOM 1279 CA ILE A 80 -18.509 11.137 -1.170 1.00 0.00 C ATOM 1280 C ILE A 80 -18.621 10.897 -2.672 1.00 0.00 C ATOM 1281 O ILE A 80 -18.178 11.717 -3.475 1.00 0.00 O ATOM 1282 CB ILE A 80 -19.637 12.091 -0.730 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -19.384 13.499 -1.275 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -19.749 12.117 0.787 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -20.095 13.778 -2.581 1.00 0.00 C ATOM 0 H ILE A 80 -16.812 12.325 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 80 -18.617 10.188 -0.644 1.00 0.00 H new ATOM 0 HB ILE A 80 -20.580 11.727 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -19.704 14.230 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -18.312 13.638 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -20.550 12.795 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -19.970 11.114 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -18.807 12.460 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -19.871 14.793 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -19.757 13.070 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -21.171 13.672 -2.440 1.00 0.00 H new ATOM 1297 N GLN A 81 -19.215 9.768 -3.042 1.00 0.00 N ATOM 1298 CA GLN A 81 -19.383 9.420 -4.447 1.00 0.00 C ATOM 1299 C GLN A 81 -20.381 8.276 -4.609 1.00 0.00 C ATOM 1300 O GLN A 81 -21.366 8.395 -5.339 1.00 0.00 O ATOM 1301 CB GLN A 81 -18.036 9.035 -5.066 1.00 0.00 C ATOM 1302 CG GLN A 81 -17.636 9.909 -6.242 1.00 0.00 C ATOM 1303 CD GLN A 81 -18.067 9.326 -7.574 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -17.261 8.745 -8.300 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -19.345 9.480 -7.902 1.00 0.00 N ATOM 0 H GLN A 81 -19.588 9.079 -2.389 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.774 10.294 -4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.263 9.095 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.080 7.996 -5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.078 10.898 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.554 10.041 -6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -19.979 9.969 -7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -19.693 9.109 -8.786 1.00 0.00 H new ATOM 1314 N GLN A 82 -20.119 7.168 -3.923 1.00 0.00 N ATOM 1315 CA GLN A 82 -20.994 6.003 -3.991 1.00 0.00 C ATOM 1316 C GLN A 82 -22.223 6.194 -3.110 1.00 0.00 C ATOM 1317 O GLN A 82 -23.355 6.023 -3.561 1.00 0.00 O ATOM 1318 CB GLN A 82 -20.235 4.745 -3.563 1.00 0.00 C ATOM 1319 CG GLN A 82 -19.331 4.181 -4.648 1.00 0.00 C ATOM 1320 CD GLN A 82 -17.872 4.528 -4.429 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -17.548 5.560 -3.843 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -16.981 3.662 -4.901 1.00 0.00 N ATOM 0 H GLN A 82 -19.309 7.052 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 82 -21.324 5.887 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -19.633 4.975 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -20.953 3.981 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -19.442 3.097 -4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -19.650 4.564 -5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.294 2.818 -5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -15.984 3.841 -4.783 1.00 0.00 H new ATOM 1331 N GLN A 83 -21.993 6.551 -1.849 1.00 0.00 N ATOM 1332 CA GLN A 83 -23.083 6.767 -0.904 1.00 0.00 C ATOM 1333 C GLN A 83 -23.122 8.220 -0.443 1.00 0.00 C ATOM 1334 O GLN A 83 -22.190 8.986 -0.689 1.00 0.00 O ATOM 1335 CB GLN A 83 -22.930 5.837 0.302 1.00 0.00 C ATOM 1336 CG GLN A 83 -23.970 4.730 0.351 1.00 0.00 C ATOM 1337 CD GLN A 83 -23.589 3.532 -0.496 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -22.950 3.673 -1.540 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -23.978 2.343 -0.052 1.00 0.00 N ATOM 0 H GLN A 83 -21.062 6.697 -1.459 1.00 0.00 H new ATOM 0 HA GLN A 83 -24.022 6.542 -1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -21.936 5.390 0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -22.996 6.427 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -24.107 4.411 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -24.928 5.122 0.009 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -24.506 2.271 0.818 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -23.749 1.501 -0.581 1.00 0.00 H new ATOM 1348 N GLY A 84 -24.207 8.594 0.228 1.00 0.00 N ATOM 1349 CA GLY A 84 -24.348 9.955 0.713 1.00 0.00 C ATOM 1350 C GLY A 84 -25.795 10.344 0.938 1.00 0.00 C ATOM 1351 O GLY A 84 -26.697 9.804 0.300 1.00 0.00 O ATOM 0 H GLY A 84 -24.991 7.979 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -23.797 10.063 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -23.898 10.641 -0.004 1.00 0.00 H new ATOM 1355 N TYR A 85 -26.017 11.287 1.849 1.00 0.00 N ATOM 1356 CA TYR A 85 -27.364 11.750 2.157 1.00 0.00 C ATOM 1357 C TYR A 85 -27.630 13.111 1.521 1.00 0.00 C ATOM 1358 O TYR A 85 -27.201 14.143 2.035 1.00 0.00 O ATOM 1359 CB TYR A 85 -27.564 11.832 3.673 1.00 0.00 C ATOM 1360 CG TYR A 85 -28.719 10.995 4.176 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -30.021 11.474 4.127 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -28.504 9.727 4.699 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -31.079 10.711 4.586 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -29.556 8.957 5.161 1.00 0.00 C ATOM 1365 CZ TYR A 85 -30.841 9.455 5.102 1.00 0.00 C ATOM 1366 OH TYR A 85 -31.891 8.693 5.558 1.00 0.00 O ATOM 0 H TYR A 85 -25.281 11.745 2.386 1.00 0.00 H new ATOM 0 HA TYR A 85 -28.072 11.032 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -26.649 11.510 4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -27.730 12.872 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -30.211 12.458 3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -27.499 9.335 4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -32.087 11.097 4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -29.373 7.972 5.565 1.00 0.00 H new ATOM 0 HH TYR A 85 -31.553 7.835 5.888 1.00 0.00 H new ATOM 1376 N ARG A 86 -28.342 13.104 0.398 1.00 0.00 N ATOM 1377 CA ARG A 86 -28.666 14.338 -0.309 1.00 0.00 C ATOM 1378 C ARG A 86 -30.113 14.324 -0.791 1.00 0.00 C ATOM 1379 O ARG A 86 -30.611 13.304 -1.265 1.00 0.00 O ATOM 1380 CB ARG A 86 -27.718 14.532 -1.496 1.00 0.00 C ATOM 1381 CG ARG A 86 -26.990 15.867 -1.478 1.00 0.00 C ATOM 1382 CD ARG A 86 -25.807 15.845 -0.522 1.00 0.00 C ATOM 1383 NE ARG A 86 -25.879 16.921 0.463 1.00 0.00 N ATOM 1384 CZ ARG A 86 -24.856 17.298 1.226 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -23.683 16.689 1.123 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -25.008 18.287 2.097 1.00 0.00 N ATOM 0 H ARG A 86 -28.705 12.258 -0.041 1.00 0.00 H new ATOM 0 HA ARG A 86 -28.543 15.170 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -26.984 13.727 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -28.287 14.449 -2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -26.642 16.106 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -27.682 16.656 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -25.774 14.884 -0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.881 15.934 -1.089 1.00 0.00 H new ATOM 0 HE ARG A 86 -26.766 17.413 0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -23.561 15.927 0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -22.903 16.983 1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -25.909 18.758 2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -24.224 18.576 2.682 1.00 0.00 H new ATOM 1400 N GLY A 87 -30.783 15.465 -0.665 1.00 0.00 N ATOM 1401 CA GLY A 87 -32.166 15.563 -1.090 1.00 0.00 C ATOM 1402 C GLY A 87 -32.826 16.849 -0.630 1.00 0.00 C ATOM 1403 O GLY A 87 -33.528 16.867 0.380 1.00 0.00 O ATOM 0 H GLY A 87 -30.392 16.323 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -32.214 15.503 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -32.724 14.712 -0.699 1.00 0.00 H new ATOM 1407 N LYS A 88 -32.598 17.928 -1.373 1.00 0.00 N ATOM 1408 CA LYS A 88 -33.174 19.224 -1.035 1.00 0.00 C ATOM 1409 C LYS A 88 -34.049 19.744 -2.170 1.00 0.00 C ATOM 1410 O LYS A 88 -35.131 20.284 -1.938 1.00 0.00 O ATOM 1411 CB LYS A 88 -32.067 20.235 -0.728 1.00 0.00 C ATOM 1412 CG LYS A 88 -32.586 21.583 -0.260 1.00 0.00 C ATOM 1413 CD LYS A 88 -31.617 22.252 0.701 1.00 0.00 C ATOM 1414 CE LYS A 88 -32.138 23.603 1.166 1.00 0.00 C ATOM 1415 NZ LYS A 88 -32.647 24.422 0.031 1.00 0.00 N ATOM 0 H LYS A 88 -32.019 17.930 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 88 -33.796 19.095 -0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -31.412 19.822 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -31.460 20.379 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -32.750 22.230 -1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -33.552 21.452 0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -31.455 21.606 1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -30.651 22.381 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -32.936 23.454 1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -31.340 24.144 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -32.770 25.407 0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -31.966 24.389 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -33.561 24.043 -0.288 1.00 0.00 H new ATOM 1429 N ASN A 89 -33.572 19.577 -3.401 1.00 0.00 N ATOM 1430 CA ASN A 89 -34.310 20.029 -4.575 1.00 0.00 C ATOM 1431 C ASN A 89 -35.694 19.389 -4.632 1.00 0.00 C ATOM 1432 O ASN A 89 -36.639 19.976 -5.159 1.00 0.00 O ATOM 1433 CB ASN A 89 -33.530 19.703 -5.850 1.00 0.00 C ATOM 1434 CG ASN A 89 -33.576 20.830 -6.862 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -33.431 22.001 -6.510 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -33.778 20.482 -8.126 1.00 0.00 N ATOM 0 H ASN A 89 -32.678 19.132 -3.610 1.00 0.00 H new ATOM 0 HA ASN A 89 -34.435 21.109 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -32.492 19.492 -5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -33.938 18.798 -6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -33.818 21.198 -8.852 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -33.893 19.499 -8.372 1.00 0.00 H new ATOM 1443 N SER A 90 -35.805 18.180 -4.089 1.00 0.00 N ATOM 1444 CA SER A 90 -37.074 17.459 -4.080 1.00 0.00 C ATOM 1445 C SER A 90 -37.542 17.167 -5.503 1.00 0.00 C ATOM 1446 O SER A 90 -38.319 17.927 -6.081 1.00 0.00 O ATOM 1447 CB SER A 90 -38.138 18.267 -3.333 1.00 0.00 C ATOM 1448 OG SER A 90 -38.582 17.580 -2.176 1.00 0.00 O ATOM 0 H SER A 90 -35.032 17.679 -3.650 1.00 0.00 H new ATOM 0 HA SER A 90 -36.923 16.510 -3.565 1.00 0.00 H new ATOM 0 HB2 SER A 90 -37.730 19.237 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 90 -38.984 18.458 -3.993 1.00 0.00 H new ATOM 0 HG SER A 90 -39.260 18.118 -1.716 1.00 0.00 H new ATOM 1454 N VAL A 91 -37.063 16.061 -6.061 1.00 0.00 N ATOM 1455 CA VAL A 91 -37.431 15.666 -7.416 1.00 0.00 C ATOM 1456 C VAL A 91 -37.607 14.155 -7.521 1.00 0.00 C ATOM 1457 O VAL A 91 -36.707 13.391 -7.170 1.00 0.00 O ATOM 1458 CB VAL A 91 -36.375 16.121 -8.442 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -36.477 17.618 -8.688 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -34.978 15.744 -7.972 1.00 0.00 C ATOM 0 H VAL A 91 -36.419 15.422 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 91 -38.379 16.156 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 91 -36.567 15.609 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -35.723 17.919 -9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -37.468 17.857 -9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -36.313 18.153 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -34.245 16.073 -8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -34.773 16.226 -7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -34.913 14.662 -7.854 1.00 0.00 H new ATOM 1470 N ALA A 92 -38.769 13.732 -8.005 1.00 0.00 N ATOM 1471 CA ALA A 92 -39.063 12.311 -8.157 1.00 0.00 C ATOM 1472 C ALA A 92 -39.422 11.976 -9.599 1.00 0.00 C ATOM 1473 O ALA A 92 -40.491 12.345 -10.086 1.00 0.00 O ATOM 1474 CB ALA A 92 -40.192 11.905 -7.221 1.00 0.00 C ATOM 0 H ALA A 92 -39.523 14.352 -8.299 1.00 0.00 H new ATOM 0 HA ALA A 92 -38.167 11.749 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -40.402 10.843 -7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -39.898 12.100 -6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -41.086 12.481 -7.458 1.00 0.00 H new ATOM 1480 N ALA A 93 -38.522 11.273 -10.279 1.00 0.00 N ATOM 1481 CA ALA A 93 -38.744 10.887 -11.667 1.00 0.00 C ATOM 1482 C ALA A 93 -38.184 9.497 -11.947 1.00 0.00 C ATOM 1483 O ALA A 93 -37.693 8.821 -11.043 1.00 0.00 O ATOM 1484 CB ALA A 93 -38.119 11.908 -12.605 1.00 0.00 C ATOM 0 H ALA A 93 -37.632 10.959 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 93 -39.819 10.859 -11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -38.292 11.607 -13.638 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -38.569 12.885 -12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -37.047 11.965 -12.419 1.00 0.00 H new ATOM 1490 N ARG A 94 -38.259 9.076 -13.205 1.00 0.00 N ATOM 1491 CA ARG A 94 -37.758 7.767 -13.605 1.00 0.00 C ATOM 1492 C ARG A 94 -36.287 7.845 -14.000 1.00 0.00 C ATOM 1493 O ARG A 94 -35.860 8.796 -14.654 1.00 0.00 O ATOM 1494 CB ARG A 94 -38.584 7.218 -14.771 1.00 0.00 C ATOM 1495 CG ARG A 94 -38.598 5.699 -14.844 1.00 0.00 C ATOM 1496 CD ARG A 94 -39.820 5.117 -14.153 1.00 0.00 C ATOM 1497 NE ARG A 94 -39.473 4.004 -13.273 1.00 0.00 N ATOM 1498 CZ ARG A 94 -40.297 3.498 -12.356 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -41.514 4.002 -12.199 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -39.901 2.486 -11.596 1.00 0.00 N ATOM 0 H ARG A 94 -38.662 9.623 -13.965 1.00 0.00 H new ATOM 0 HA ARG A 94 -37.851 7.093 -12.753 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -39.609 7.579 -14.681 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -38.187 7.615 -15.705 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -38.585 5.384 -15.887 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -37.694 5.304 -14.380 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -40.314 5.897 -13.574 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -40.533 4.777 -14.904 1.00 0.00 H new ATOM 0 HE ARG A 94 -38.546 3.590 -13.366 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -41.823 4.780 -12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -42.141 3.611 -11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -38.966 2.095 -11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -40.531 2.098 -10.894 1.00 0.00 H new ATOM 1514 N SER A 95 -35.516 6.840 -13.596 1.00 0.00 N ATOM 1515 CA SER A 95 -34.092 6.799 -13.908 1.00 0.00 C ATOM 1516 C SER A 95 -33.866 6.474 -15.384 1.00 0.00 C ATOM 1517 O SER A 95 -33.305 7.282 -16.124 1.00 0.00 O ATOM 1518 CB SER A 95 -33.385 5.765 -13.030 1.00 0.00 C ATOM 1519 OG SER A 95 -32.884 6.358 -11.845 1.00 0.00 O ATOM 0 H SER A 95 -35.853 6.045 -13.053 1.00 0.00 H new ATOM 0 HA SER A 95 -33.673 7.784 -13.704 1.00 0.00 H new ATOM 0 HB2 SER A 95 -34.080 4.965 -12.774 1.00 0.00 H new ATOM 0 HB3 SER A 95 -32.566 5.310 -13.587 1.00 0.00 H new ATOM 0 HG SER A 95 -32.438 5.676 -11.301 1.00 0.00 H new ATOM 1525 N PRO A 96 -34.301 5.283 -15.834 1.00 0.00 N ATOM 1526 CA PRO A 96 -34.141 4.864 -17.230 1.00 0.00 C ATOM 1527 C PRO A 96 -35.027 5.664 -18.178 1.00 0.00 C ATOM 1528 O PRO A 96 -36.146 5.257 -18.490 1.00 0.00 O ATOM 1529 CB PRO A 96 -34.564 3.393 -17.213 1.00 0.00 C ATOM 1530 CG PRO A 96 -35.483 3.277 -16.046 1.00 0.00 C ATOM 1531 CD PRO A 96 -34.982 4.258 -15.023 1.00 0.00 C ATOM 0 HA PRO A 96 -33.124 5.022 -17.589 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -35.064 3.114 -18.140 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -33.702 2.734 -17.105 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -36.509 3.504 -16.334 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -35.481 2.263 -15.647 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -35.800 4.684 -14.441 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -34.299 3.787 -14.316 1.00 0.00 H new ATOM 1539 N GLU A 97 -34.519 6.804 -18.632 1.00 0.00 N ATOM 1540 CA GLU A 97 -35.263 7.663 -19.546 1.00 0.00 C ATOM 1541 C GLU A 97 -34.320 8.410 -20.483 1.00 0.00 C ATOM 1542 O GLU A 97 -34.475 8.365 -21.703 1.00 0.00 O ATOM 1543 CB GLU A 97 -36.116 8.662 -18.759 1.00 0.00 C ATOM 1544 CG GLU A 97 -37.523 8.167 -18.470 1.00 0.00 C ATOM 1545 CD GLU A 97 -38.512 9.300 -18.276 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -38.342 10.354 -18.925 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -39.454 9.135 -17.474 1.00 0.00 O ATOM 0 H GLU A 97 -33.595 7.155 -18.382 1.00 0.00 H new ATOM 0 HA GLU A 97 -35.916 7.031 -20.147 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -35.619 8.888 -17.816 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -36.176 9.595 -19.319 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -37.858 7.535 -19.292 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -37.509 7.545 -17.575 1.00 0.00 H new ATOM 1554 N LYS A 98 -33.341 9.096 -19.902 1.00 0.00 N ATOM 1555 CA LYS A 98 -32.371 9.855 -20.685 1.00 0.00 C ATOM 1556 C LYS A 98 -31.076 10.051 -19.903 1.00 0.00 C ATOM 1557 O LYS A 98 -31.078 10.054 -18.671 1.00 0.00 O ATOM 1558 CB LYS A 98 -32.953 11.211 -21.080 1.00 0.00 C ATOM 1559 CG LYS A 98 -33.367 12.065 -19.891 1.00 0.00 C ATOM 1560 CD LYS A 98 -32.318 13.119 -19.567 1.00 0.00 C ATOM 1561 CE LYS A 98 -31.690 12.880 -18.202 1.00 0.00 C ATOM 1562 NZ LYS A 98 -31.439 14.155 -17.476 1.00 0.00 N ATOM 0 H LYS A 98 -33.198 9.142 -18.893 1.00 0.00 H new ATOM 0 HA LYS A 98 -32.146 9.288 -21.588 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -32.215 11.756 -21.669 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -33.819 11.052 -21.722 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -34.319 12.552 -20.105 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -33.524 11.427 -19.021 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -31.542 13.109 -20.332 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -32.775 14.108 -19.590 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -32.347 12.246 -17.606 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -30.751 12.341 -18.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -30.715 14.002 -16.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -31.106 14.877 -18.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -32.320 14.479 -17.028 1.00 0.00 H new ATOM 1576 N ALA A 99 -29.972 10.214 -20.625 1.00 0.00 N ATOM 1577 CA ALA A 99 -28.672 10.411 -19.999 1.00 0.00 C ATOM 1578 C ALA A 99 -28.557 11.808 -19.398 1.00 0.00 C ATOM 1579 O ALA A 99 -28.428 11.965 -18.184 1.00 0.00 O ATOM 1580 CB ALA A 99 -27.558 10.176 -21.007 1.00 0.00 C ATOM 0 H ALA A 99 -29.953 10.213 -21.645 1.00 0.00 H new ATOM 0 HA ALA A 99 -28.574 9.686 -19.191 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -26.593 10.327 -20.524 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -27.619 9.156 -21.385 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -27.663 10.877 -21.835 1.00 0.00 H new ATOM 1586 N SER A 100 -28.606 12.821 -20.258 1.00 0.00 N ATOM 1587 CA SER A 100 -28.507 14.206 -19.811 1.00 0.00 C ATOM 1588 C SER A 100 -28.948 15.166 -20.913 1.00 0.00 C ATOM 1589 O SER A 100 -29.980 15.827 -20.798 1.00 0.00 O ATOM 1590 CB SER A 100 -27.074 14.525 -19.385 1.00 0.00 C ATOM 1591 OG SER A 100 -26.141 13.717 -20.082 1.00 0.00 O ATOM 0 H SER A 100 -28.713 12.709 -21.266 1.00 0.00 H new ATOM 0 HA SER A 100 -29.170 14.334 -18.955 1.00 0.00 H new ATOM 0 HB2 SER A 100 -26.861 15.577 -19.574 1.00 0.00 H new ATOM 0 HB3 SER A 100 -26.967 14.366 -18.312 1.00 0.00 H new ATOM 0 HG SER A 100 -25.232 13.942 -19.792 1.00 0.00 H new ATOM 1597 N ASN A 101 -28.159 15.236 -21.979 1.00 0.00 N ATOM 1598 CA ASN A 101 -28.468 16.115 -23.101 1.00 0.00 C ATOM 1599 C ASN A 101 -28.434 15.345 -24.420 1.00 0.00 C ATOM 1600 O ASN A 101 -29.340 15.466 -25.243 1.00 0.00 O ATOM 1601 CB ASN A 101 -27.478 17.283 -23.151 1.00 0.00 C ATOM 1602 CG ASN A 101 -28.122 18.602 -22.775 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -28.106 19.558 -23.550 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -28.692 18.663 -21.576 1.00 0.00 N ATOM 0 H ASN A 101 -27.301 14.695 -22.090 1.00 0.00 H new ATOM 0 HA ASN A 101 -29.474 16.508 -22.956 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -26.648 17.081 -22.474 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -27.060 17.359 -24.155 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -29.139 19.526 -21.267 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -28.683 17.847 -20.965 1.00 0.00 H new ATOM 1611 N MET A 102 -27.383 14.554 -24.610 1.00 0.00 N ATOM 1612 CA MET A 102 -27.232 13.764 -25.826 1.00 0.00 C ATOM 1613 C MET A 102 -27.180 14.666 -27.057 1.00 0.00 C ATOM 1614 O MET A 102 -28.208 15.158 -27.521 1.00 0.00 O ATOM 1615 CB MET A 102 -28.383 12.765 -25.957 1.00 0.00 C ATOM 1616 CG MET A 102 -27.928 11.353 -26.290 1.00 0.00 C ATOM 1617 SD MET A 102 -27.918 11.028 -28.064 1.00 0.00 S ATOM 1618 CE MET A 102 -28.457 9.321 -28.097 1.00 0.00 C ATOM 0 H MET A 102 -26.624 14.443 -23.938 1.00 0.00 H new ATOM 0 HA MET A 102 -26.292 13.216 -25.760 1.00 0.00 H new ATOM 0 HB2 MET A 102 -28.945 12.746 -25.023 1.00 0.00 H new ATOM 0 HB3 MET A 102 -29.066 13.110 -26.733 1.00 0.00 H new ATOM 0 HG2 MET A 102 -26.927 11.194 -25.890 1.00 0.00 H new ATOM 0 HG3 MET A 102 -28.586 10.637 -25.797 1.00 0.00 H new ATOM 0 HE1 MET A 102 -28.501 8.973 -29.129 1.00 0.00 H new ATOM 0 HE2 MET A 102 -27.752 8.706 -27.537 1.00 0.00 H new ATOM 0 HE3 MET A 102 -29.446 9.243 -27.645 1.00 0.00 H new ATOM 1628 N GLU A 103 -25.978 14.876 -27.580 1.00 0.00 N ATOM 1629 CA GLU A 103 -25.791 15.718 -28.758 1.00 0.00 C ATOM 1630 C GLU A 103 -25.260 14.901 -29.931 1.00 0.00 C ATOM 1631 O GLU A 103 -25.078 13.688 -29.825 1.00 0.00 O ATOM 1632 CB GLU A 103 -24.830 16.865 -28.443 1.00 0.00 C ATOM 1633 CG GLU A 103 -25.503 18.063 -27.792 1.00 0.00 C ATOM 1634 CD GLU A 103 -25.180 19.369 -28.493 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -24.946 19.341 -29.720 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -25.163 20.417 -27.816 1.00 0.00 O ATOM 0 H GLU A 103 -25.117 14.475 -27.208 1.00 0.00 H new ATOM 0 HA GLU A 103 -26.760 16.132 -29.036 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -24.044 16.498 -27.783 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -24.347 17.187 -29.366 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -26.583 17.913 -27.792 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -25.191 18.128 -26.750 1.00 0.00 H new ATOM 1643 N ASN A 104 -25.014 15.574 -31.050 1.00 0.00 N ATOM 1644 CA ASN A 104 -24.504 14.912 -32.245 1.00 0.00 C ATOM 1645 C ASN A 104 -23.074 15.354 -32.544 1.00 0.00 C ATOM 1646 O ASN A 104 -22.190 14.525 -32.762 1.00 0.00 O ATOM 1647 CB ASN A 104 -25.404 15.214 -33.444 1.00 0.00 C ATOM 1648 CG ASN A 104 -26.666 14.372 -33.444 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -26.698 13.280 -32.879 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -27.716 14.882 -34.079 1.00 0.00 N ATOM 0 H ASN A 104 -25.160 16.578 -31.154 1.00 0.00 H new ATOM 0 HA ASN A 104 -24.502 13.837 -32.062 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -25.675 16.270 -33.435 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -24.850 15.034 -34.365 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -28.594 14.363 -34.111 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -27.644 15.792 -34.534 1.00 0.00 H new ATOM 1657 N ASN A 105 -22.855 16.665 -32.553 1.00 0.00 N ATOM 1658 CA ASN A 105 -21.533 17.218 -32.825 1.00 0.00 C ATOM 1659 C ASN A 105 -20.874 17.709 -31.540 1.00 0.00 C ATOM 1660 O ASN A 105 -21.508 17.762 -30.487 1.00 0.00 O ATOM 1661 CB ASN A 105 -21.635 18.364 -33.833 1.00 0.00 C ATOM 1662 CG ASN A 105 -22.044 17.886 -35.212 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -23.110 18.246 -35.714 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -21.198 17.074 -35.833 1.00 0.00 N ATOM 0 H ASN A 105 -23.576 17.364 -32.375 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.914 16.427 -33.248 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -22.360 19.095 -33.475 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -20.674 18.873 -33.898 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.420 16.722 -36.764 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.326 16.802 -35.379 1.00 0.00 H new ATOM 1671 N GLU A 106 -19.599 18.069 -31.637 1.00 0.00 N ATOM 1672 CA GLU A 106 -18.853 18.556 -30.482 1.00 0.00 C ATOM 1673 C GLU A 106 -18.300 19.954 -30.743 1.00 0.00 C ATOM 1674 O GLU A 106 -18.304 20.776 -29.804 1.00 0.00 O ATOM 1675 CB GLU A 106 -17.710 17.598 -30.143 1.00 0.00 C ATOM 1676 CG GLU A 106 -17.085 17.853 -28.782 1.00 0.00 C ATOM 1677 CD GLU A 106 -17.865 17.206 -27.653 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -19.106 17.115 -27.764 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -17.235 16.791 -26.657 1.00 0.00 O ATOM 1680 OXT GLU A 106 -17.866 20.213 -31.885 1.00 0.00 O ATOM 0 H GLU A 106 -19.061 18.033 -32.503 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.537 18.606 -29.635 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -18.083 16.574 -30.176 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -16.939 17.681 -30.909 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -16.064 17.473 -28.778 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -17.026 18.928 -28.609 1.00 0.00 H new TER 1687 GLU A 106