USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 642 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 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.07) USER MOD Single : A 67 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.1) USER MOD Single : A 69 SER OG : rot 180:sc= 0.127 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -145:sc= -0.0642 (180deg=-0.194) USER MOD Single : A 87 THR OG1 : rot -34:sc= -2.17! USER MOD Single : A 92 SER OG : rot 82:sc= 0.23 USER MOD Single : A 93 TYR OH : rot -61:sc= 0.689 USER MOD Single : B 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.56) USER MOD Single : B 67 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.16) USER MOD Single : B 69 SER OG : rot 180:sc= 0.32 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -37:sc= -1.76! USER MOD Single : B 92 SER OG : rot 80:sc= 0.275 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 -4.750 -4.092 -4.772 1.00 0.00 N ATOM 2 CA ARG A 61 -5.621 -5.143 -4.261 1.00 0.00 C ATOM 3 C ARG A 61 -5.108 -5.673 -2.925 1.00 0.00 C ATOM 4 O ARG A 61 -5.888 -6.092 -2.070 1.00 0.00 O ATOM 5 CB ARG A 61 -5.720 -6.288 -5.271 1.00 0.00 C ATOM 6 CG ARG A 61 -6.573 -5.956 -6.485 1.00 0.00 C ATOM 7 CD ARG A 61 -8.032 -6.320 -6.257 1.00 0.00 C ATOM 8 NE ARG A 61 -8.296 -7.727 -6.546 1.00 0.00 N ATOM 9 CZ ARG A 61 -8.453 -8.208 -7.775 1.00 0.00 C ATOM 10 NH1 ARG A 61 -8.372 -7.400 -8.822 1.00 0.00 N ATOM 11 NH2 ARG A 61 -8.691 -9.501 -7.957 1.00 0.00 N ATOM 0 HA ARG A 61 -6.612 -4.716 -4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.717 -6.555 -5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.135 -7.165 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.493 -4.892 -6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.195 -6.493 -7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.302 -6.105 -5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.664 -5.695 -6.888 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.364 -8.376 -5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.189 -6.406 -8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.493 -7.772 -9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.754 -10.126 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.811 -9.870 -8.900 1.00 0.00 H new ATOM 25 N VAL A 62 -3.790 -5.651 -2.752 1.00 0.00 N ATOM 26 CA VAL A 62 -3.172 -6.128 -1.521 1.00 0.00 C ATOM 27 C VAL A 62 -1.852 -5.414 -1.255 1.00 0.00 C ATOM 28 O VAL A 62 -1.213 -4.907 -2.178 1.00 0.00 O ATOM 29 CB VAL A 62 -2.920 -7.647 -1.571 1.00 0.00 C ATOM 30 CG1 VAL A 62 -4.234 -8.409 -1.490 1.00 0.00 C ATOM 31 CG2 VAL A 62 -2.156 -8.018 -2.833 1.00 0.00 C ATOM 0 H VAL A 62 -3.130 -5.308 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.869 -5.909 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.312 -7.926 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.036 -9.480 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.739 -8.165 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.870 -8.128 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.986 -9.095 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.736 -7.726 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.197 -7.499 -2.844 1.00 0.00 H new ATOM 41 N GLN A 63 -1.449 -5.378 0.010 1.00 0.00 N ATOM 42 CA GLN A 63 -0.203 -4.725 0.397 1.00 0.00 C ATOM 43 C GLN A 63 0.997 -5.608 0.075 1.00 0.00 C ATOM 44 O GLN A 63 0.843 -6.741 -0.385 1.00 0.00 O ATOM 45 CB GLN A 63 -0.220 -4.390 1.889 1.00 0.00 C ATOM 46 CG GLN A 63 -0.256 -2.898 2.178 1.00 0.00 C ATOM 47 CD GLN A 63 -0.177 -2.589 3.660 1.00 0.00 C ATOM 48 OE1 GLN A 63 0.874 -2.198 4.169 1.00 0.00 O ATOM 49 NE2 GLN A 63 -1.291 -2.761 4.362 1.00 0.00 N ATOM 0 H GLN A 63 -1.966 -5.793 0.785 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.114 -3.801 -0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.089 -4.862 2.349 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.663 -4.821 2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.574 -2.412 1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.174 -2.475 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.140 -3.087 3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.298 -2.567 5.363 1.00 0.00 H new ATOM 58 N LEU A 64 2.193 -5.084 0.319 1.00 0.00 N ATOM 59 CA LEU A 64 3.422 -5.826 0.055 1.00 0.00 C ATOM 60 C LEU A 64 4.592 -5.237 0.837 1.00 0.00 C ATOM 61 O LEU A 64 4.423 -4.294 1.609 1.00 0.00 O ATOM 62 CB LEU A 64 3.736 -5.814 -1.442 1.00 0.00 C ATOM 63 CG LEU A 64 3.624 -4.459 -2.141 1.00 0.00 C ATOM 64 CD1 LEU A 64 4.798 -3.567 -1.767 1.00 0.00 C ATOM 65 CD2 LEU A 64 3.550 -4.641 -3.650 1.00 0.00 C ATOM 0 H LEU A 64 2.338 -4.149 0.699 1.00 0.00 H new ATOM 0 HA LEU A 64 3.273 -6.856 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.749 -6.190 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.064 -6.513 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 64 2.706 -3.975 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.701 -2.607 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.806 -3.409 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.729 -4.045 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.471 -3.666 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.450 -5.146 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.676 -5.242 -3.902 1.00 0.00 H new ATOM 77 N ALA A 65 5.778 -5.798 0.628 1.00 0.00 N ATOM 78 CA ALA A 65 6.977 -5.326 1.310 1.00 0.00 C ATOM 79 C ALA A 65 8.233 -5.679 0.520 1.00 0.00 C ATOM 80 O ALA A 65 9.259 -6.041 1.096 1.00 0.00 O ATOM 81 CB ALA A 65 7.051 -5.910 2.713 1.00 0.00 C ATOM 0 H ALA A 65 5.935 -6.580 -0.008 1.00 0.00 H new ATOM 0 HA ALA A 65 6.919 -4.240 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.951 -5.549 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.174 -5.602 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.081 -6.998 2.653 1.00 0.00 H new ATOM 87 N HIS A 66 8.144 -5.574 -0.802 1.00 0.00 N ATOM 88 CA HIS A 66 9.274 -5.883 -1.671 1.00 0.00 C ATOM 89 C HIS A 66 9.162 -5.132 -2.995 1.00 0.00 C ATOM 90 O HIS A 66 8.168 -4.454 -3.254 1.00 0.00 O ATOM 91 CB HIS A 66 9.349 -7.388 -1.930 1.00 0.00 C ATOM 92 CG HIS A 66 10.725 -7.956 -1.764 1.00 0.00 C ATOM 93 ND1 HIS A 66 11.239 -8.936 -2.588 1.00 0.00 N ATOM 94 CD2 HIS A 66 11.697 -7.676 -0.864 1.00 0.00 C ATOM 95 CE1 HIS A 66 12.466 -9.234 -2.200 1.00 0.00 C ATOM 96 NE2 HIS A 66 12.768 -8.483 -1.157 1.00 0.00 N ATOM 0 H HIS A 66 7.302 -5.277 -1.295 1.00 0.00 H new ATOM 0 HA HIS A 66 10.186 -5.563 -1.167 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.669 -7.900 -1.249 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.000 -7.592 -2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 66 11.640 -6.952 -0.064 1.00 0.00 H new ATOM 0 HE1 HIS A 66 13.113 -9.968 -2.658 1.00 0.00 H new ATOM 0 HE2 HIS A 66 13.653 -8.500 -0.651 1.00 0.00 H new ATOM 104 N HIS A 67 10.190 -5.258 -3.829 1.00 0.00 N ATOM 105 CA HIS A 67 10.207 -4.591 -5.126 1.00 0.00 C ATOM 106 C HIS A 67 11.451 -4.978 -5.920 1.00 0.00 C ATOM 107 O HIS A 67 12.444 -4.249 -5.932 1.00 0.00 O ATOM 108 CB HIS A 67 10.155 -3.074 -4.944 1.00 0.00 C ATOM 109 CG HIS A 67 10.200 -2.314 -6.234 1.00 0.00 C ATOM 110 ND1 HIS A 67 10.515 -0.973 -6.307 1.00 0.00 N ATOM 111 CD2 HIS A 67 9.969 -2.715 -7.506 1.00 0.00 C ATOM 112 CE1 HIS A 67 10.474 -0.582 -7.568 1.00 0.00 C ATOM 113 NE2 HIS A 67 10.146 -1.620 -8.316 1.00 0.00 N ATOM 0 H HIS A 67 11.021 -5.815 -3.630 1.00 0.00 H new ATOM 0 HA HIS A 67 9.327 -4.913 -5.684 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.242 -2.812 -4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.992 -2.762 -4.319 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.696 -3.710 -7.825 1.00 0.00 H new ATOM 0 HE1 HIS A 67 10.675 0.417 -7.927 1.00 0.00 H new ATOM 0 HE2 HIS A 67 10.041 -1.610 -9.331 1.00 0.00 H new ATOM 121 N PHE A 68 11.392 -6.129 -6.581 1.00 0.00 N ATOM 122 CA PHE A 68 12.514 -6.614 -7.375 1.00 0.00 C ATOM 123 C PHE A 68 12.894 -5.604 -8.454 1.00 0.00 C ATOM 124 O PHE A 68 12.234 -4.578 -8.618 1.00 0.00 O ATOM 125 CB PHE A 68 12.169 -7.959 -8.018 1.00 0.00 C ATOM 126 CG PHE A 68 13.263 -8.980 -7.897 1.00 0.00 C ATOM 127 CD1 PHE A 68 13.640 -9.468 -6.656 1.00 0.00 C ATOM 128 CD2 PHE A 68 13.916 -9.452 -9.025 1.00 0.00 C ATOM 129 CE1 PHE A 68 14.646 -10.408 -6.541 1.00 0.00 C ATOM 130 CE2 PHE A 68 14.923 -10.392 -8.916 1.00 0.00 C ATOM 131 CZ PHE A 68 15.289 -10.870 -7.673 1.00 0.00 C ATOM 0 H PHE A 68 10.578 -6.744 -6.582 1.00 0.00 H new ATOM 0 HA PHE A 68 13.367 -6.746 -6.709 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.264 -8.352 -7.555 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.945 -7.801 -9.073 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.141 -9.109 -5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.635 -9.081 -10.000 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.929 -10.781 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 68 15.424 -10.753 -9.802 1.00 0.00 H new ATOM 0 HZ PHE A 68 16.077 -11.604 -7.586 1.00 0.00 H new ATOM 141 N SER A 69 13.962 -5.902 -9.186 1.00 0.00 N ATOM 142 CA SER A 69 14.433 -5.019 -10.247 1.00 0.00 C ATOM 143 C SER A 69 13.476 -5.039 -11.435 1.00 0.00 C ATOM 144 O SER A 69 12.806 -6.039 -11.689 1.00 0.00 O ATOM 145 CB SER A 69 15.834 -5.432 -10.699 1.00 0.00 C ATOM 146 OG SER A 69 16.319 -6.519 -9.929 1.00 0.00 O ATOM 0 H SER A 69 14.518 -6.748 -9.064 1.00 0.00 H new ATOM 0 HA SER A 69 14.472 -4.004 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.812 -5.710 -11.753 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.514 -4.585 -10.607 1.00 0.00 H new ATOM 0 HG SER A 69 17.216 -6.765 -10.239 1.00 0.00 H new ATOM 152 N GLU A 70 13.419 -3.926 -12.160 1.00 0.00 N ATOM 153 CA GLU A 70 12.544 -3.815 -13.321 1.00 0.00 C ATOM 154 C GLU A 70 13.271 -3.157 -14.490 1.00 0.00 C ATOM 155 O GLU A 70 13.018 -2.006 -14.843 1.00 0.00 O ATOM 156 CB GLU A 70 11.291 -3.010 -12.968 1.00 0.00 C ATOM 157 CG GLU A 70 10.342 -3.739 -12.032 1.00 0.00 C ATOM 158 CD GLU A 70 8.922 -3.216 -12.117 1.00 0.00 C ATOM 159 OE1 GLU A 70 8.710 -2.024 -11.810 1.00 0.00 O ATOM 160 OE2 GLU A 70 8.022 -3.998 -12.490 1.00 0.00 O ATOM 0 H GLU A 70 13.968 -3.089 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 70 12.249 -4.821 -13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.592 -2.070 -12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.760 -2.759 -13.886 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.348 -4.803 -12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.701 -3.640 -11.008 1.00 0.00 H new ATOM 167 N PRO A 71 14.199 -3.906 -15.104 1.00 0.00 N ATOM 168 CA PRO A 71 14.984 -3.417 -16.243 1.00 0.00 C ATOM 169 C PRO A 71 14.139 -3.255 -17.502 1.00 0.00 C ATOM 170 O PRO A 71 14.614 -2.749 -18.518 1.00 0.00 O ATOM 171 CB PRO A 71 16.037 -4.509 -16.442 1.00 0.00 C ATOM 172 CG PRO A 71 15.416 -5.742 -15.881 1.00 0.00 C ATOM 173 CD PRO A 71 14.554 -5.287 -14.736 1.00 0.00 C ATOM 0 HA PRO A 71 15.405 -2.429 -16.055 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.283 -4.634 -17.497 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.965 -4.263 -15.926 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.822 -6.258 -16.636 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.178 -6.443 -15.541 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.669 -5.914 -14.626 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.092 -5.325 -13.789 1.00 0.00 H new ATOM 181 N GLU A 72 12.884 -3.688 -17.427 1.00 0.00 N ATOM 182 CA GLU A 72 11.974 -3.590 -18.562 1.00 0.00 C ATOM 183 C GLU A 72 11.396 -2.183 -18.677 1.00 0.00 C ATOM 184 O GLU A 72 10.316 -1.988 -19.235 1.00 0.00 O ATOM 185 CB GLU A 72 10.841 -4.609 -18.425 1.00 0.00 C ATOM 186 CG GLU A 72 11.325 -6.030 -18.189 1.00 0.00 C ATOM 187 CD GLU A 72 12.525 -6.387 -19.045 1.00 0.00 C ATOM 188 OE1 GLU A 72 12.522 -6.040 -20.244 1.00 0.00 O ATOM 189 OE2 GLU A 72 13.467 -7.013 -18.515 1.00 0.00 O ATOM 0 H GLU A 72 12.475 -4.109 -16.593 1.00 0.00 H new ATOM 0 HA GLU A 72 12.540 -3.806 -19.468 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.195 -4.312 -17.599 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.233 -4.587 -19.329 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.584 -6.152 -17.137 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.513 -6.726 -18.400 1.00 0.00 H new ATOM 196 N ILE A 73 12.123 -1.206 -18.144 1.00 0.00 N ATOM 197 CA ILE A 73 11.683 0.183 -18.187 1.00 0.00 C ATOM 198 C ILE A 73 11.381 0.620 -19.616 1.00 0.00 C ATOM 199 O ILE A 73 10.268 1.049 -19.925 1.00 0.00 O ATOM 200 CB ILE A 73 12.741 1.127 -17.586 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.139 0.658 -16.185 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.215 2.554 -17.544 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.114 1.583 -15.492 1.00 0.00 C ATOM 0 H ILE A 73 13.019 -1.351 -17.678 1.00 0.00 H new ATOM 0 HA ILE A 73 10.772 0.244 -17.591 1.00 0.00 H new ATOM 0 HB ILE A 73 13.627 1.106 -18.220 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.242 0.565 -15.573 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.581 -0.336 -16.255 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.974 3.209 -17.117 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.978 2.884 -18.555 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.315 2.592 -16.930 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.351 1.188 -14.504 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.027 1.657 -16.082 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.667 2.572 -15.389 1.00 0.00 H new ATOM 215 N THR A 74 12.378 0.507 -20.488 1.00 0.00 N ATOM 216 CA THR A 74 12.220 0.890 -21.885 1.00 0.00 C ATOM 217 C THR A 74 10.967 0.264 -22.488 1.00 0.00 C ATOM 218 O THR A 74 10.213 0.926 -23.203 1.00 0.00 O ATOM 219 CB THR A 74 13.443 0.473 -22.724 1.00 0.00 C ATOM 220 OG1 THR A 74 14.631 1.060 -22.183 1.00 0.00 O ATOM 221 CG2 THR A 74 13.275 0.900 -24.174 1.00 0.00 C ATOM 0 H THR A 74 13.305 0.153 -20.251 1.00 0.00 H new ATOM 0 HA THR A 74 12.127 1.976 -21.907 1.00 0.00 H new ATOM 0 HB THR A 74 13.527 -0.613 -22.689 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.404 0.789 -22.721 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.151 0.595 -24.747 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.386 0.428 -24.592 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.168 1.984 -24.224 1.00 0.00 H new ATOM 229 N LEU A 75 10.750 -1.013 -22.194 1.00 0.00 N ATOM 230 CA LEU A 75 9.586 -1.728 -22.707 1.00 0.00 C ATOM 231 C LEU A 75 8.294 -1.016 -22.319 1.00 0.00 C ATOM 232 O LEU A 75 7.439 -0.757 -23.166 1.00 0.00 O ATOM 233 CB LEU A 75 9.570 -3.163 -22.176 1.00 0.00 C ATOM 234 CG LEU A 75 10.544 -4.136 -22.842 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.436 -5.515 -22.210 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.283 -4.211 -24.339 1.00 0.00 C ATOM 0 H LEU A 75 11.364 -1.574 -21.604 1.00 0.00 H new ATOM 0 HA LEU A 75 9.654 -1.750 -23.795 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.787 -3.136 -21.108 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.560 -3.559 -22.286 1.00 0.00 H new ATOM 0 HG LEU A 75 11.558 -3.767 -22.689 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.136 -6.194 -22.697 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.674 -5.448 -21.148 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.421 -5.892 -22.332 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.985 -4.908 -24.796 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.264 -4.556 -24.514 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.413 -3.223 -24.781 1.00 0.00 H new ATOM 248 N ILE A 76 8.162 -0.700 -21.035 1.00 0.00 N ATOM 249 CA ILE A 76 6.976 -0.014 -20.537 1.00 0.00 C ATOM 250 C ILE A 76 6.742 1.294 -21.286 1.00 0.00 C ATOM 251 O ILE A 76 5.619 1.595 -21.692 1.00 0.00 O ATOM 252 CB ILE A 76 7.090 0.284 -19.030 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.288 -1.014 -18.245 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.853 1.022 -18.541 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.166 -2.012 -18.434 1.00 0.00 C ATOM 0 H ILE A 76 8.861 -0.908 -20.322 1.00 0.00 H new ATOM 0 HA ILE A 76 6.131 -0.682 -20.705 1.00 0.00 H new ATOM 0 HB ILE A 76 7.958 0.922 -18.865 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.228 -1.474 -18.550 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.378 -0.778 -17.185 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.949 1.225 -17.474 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.753 1.963 -19.082 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.970 0.407 -18.715 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.373 -2.908 -17.848 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.226 -1.570 -18.102 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.089 -2.278 -19.488 1.00 0.00 H new ATOM 267 N ILE A 77 7.808 2.066 -21.465 1.00 0.00 N ATOM 268 CA ILE A 77 7.719 3.339 -22.168 1.00 0.00 C ATOM 269 C ILE A 77 7.308 3.137 -23.623 1.00 0.00 C ATOM 270 O ILE A 77 6.385 3.787 -24.115 1.00 0.00 O ATOM 271 CB ILE A 77 9.057 4.101 -22.126 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.413 4.471 -20.684 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.985 5.347 -22.996 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.518 5.539 -20.096 1.00 0.00 C ATOM 0 H ILE A 77 8.744 1.832 -21.133 1.00 0.00 H new ATOM 0 HA ILE A 77 6.958 3.928 -21.656 1.00 0.00 H new ATOM 0 HB ILE A 77 9.840 3.452 -22.519 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.355 3.577 -20.063 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.447 4.815 -20.650 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.938 5.874 -22.956 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.772 5.060 -24.026 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.193 6.001 -22.631 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.828 5.751 -19.073 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.594 6.447 -20.694 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.486 5.190 -20.097 1.00 0.00 H new ATOM 286 N PHE A 78 7.998 2.230 -24.306 1.00 0.00 N ATOM 287 CA PHE A 78 7.704 1.941 -25.705 1.00 0.00 C ATOM 288 C PHE A 78 6.235 1.571 -25.887 1.00 0.00 C ATOM 289 O PHE A 78 5.555 2.100 -26.766 1.00 0.00 O ATOM 290 CB PHE A 78 8.594 0.803 -26.210 1.00 0.00 C ATOM 291 CG PHE A 78 8.222 0.314 -27.581 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.722 0.939 -28.713 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.374 -0.769 -27.738 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.380 0.491 -29.975 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.029 -1.222 -28.997 1.00 0.00 C ATOM 296 CZ PHE A 78 7.534 -0.591 -30.117 1.00 0.00 C ATOM 0 H PHE A 78 8.764 1.683 -23.914 1.00 0.00 H new ATOM 0 HA PHE A 78 7.909 2.840 -26.287 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.630 1.141 -26.222 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.539 -0.030 -25.509 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.386 1.785 -28.608 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.977 -1.266 -26.865 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.774 0.987 -30.850 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.366 -2.068 -29.105 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.268 -0.943 -31.103 1.00 0.00 H new ATOM 306 N GLY A 79 5.752 0.659 -25.050 1.00 0.00 N ATOM 307 CA GLY A 79 4.367 0.233 -25.135 1.00 0.00 C ATOM 308 C GLY A 79 3.397 1.394 -25.037 1.00 0.00 C ATOM 309 O GLY A 79 2.549 1.579 -25.909 1.00 0.00 O ATOM 0 H GLY A 79 6.295 0.207 -24.314 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.208 -0.291 -26.078 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.159 -0.479 -24.336 1.00 0.00 H new ATOM 313 N VAL A 80 3.520 2.177 -23.970 1.00 0.00 N ATOM 314 CA VAL A 80 2.646 3.325 -23.760 1.00 0.00 C ATOM 315 C VAL A 80 2.799 4.345 -24.883 1.00 0.00 C ATOM 316 O VAL A 80 1.837 5.008 -25.269 1.00 0.00 O ATOM 317 CB VAL A 80 2.937 4.014 -22.413 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.966 5.161 -22.179 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.870 3.006 -21.275 1.00 0.00 C ATOM 0 H VAL A 80 4.216 2.037 -23.238 1.00 0.00 H new ATOM 0 HA VAL A 80 1.624 2.947 -23.753 1.00 0.00 H new ATOM 0 HB VAL A 80 3.946 4.426 -22.445 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.187 5.635 -21.223 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.068 5.893 -22.980 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.946 4.777 -22.166 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.078 3.509 -20.331 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.874 2.564 -21.239 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.610 2.222 -21.439 1.00 0.00 H new ATOM 329 N MET A 81 4.016 4.464 -25.404 1.00 0.00 N ATOM 330 CA MET A 81 4.295 5.403 -26.485 1.00 0.00 C ATOM 331 C MET A 81 3.551 5.005 -27.756 1.00 0.00 C ATOM 332 O MET A 81 2.921 5.840 -28.405 1.00 0.00 O ATOM 333 CB MET A 81 5.799 5.465 -26.760 1.00 0.00 C ATOM 334 CG MET A 81 6.569 6.290 -25.741 1.00 0.00 C ATOM 335 SD MET A 81 6.618 8.043 -26.160 1.00 0.00 S ATOM 336 CE MET A 81 5.445 8.706 -24.980 1.00 0.00 C ATOM 0 H MET A 81 4.824 3.923 -25.096 1.00 0.00 H new ATOM 0 HA MET A 81 3.948 6.389 -26.175 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.200 4.452 -26.773 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.962 5.885 -27.753 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.111 6.168 -24.760 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.588 5.910 -25.667 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.900 9.533 -25.434 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.742 7.926 -24.688 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.978 9.063 -24.099 1.00 0.00 H new ATOM 346 N ALA A 82 3.628 3.725 -28.106 1.00 0.00 N ATOM 347 CA ALA A 82 2.961 3.217 -29.298 1.00 0.00 C ATOM 348 C ALA A 82 1.445 3.298 -29.155 1.00 0.00 C ATOM 349 O ALA A 82 0.746 3.723 -30.074 1.00 0.00 O ATOM 350 CB ALA A 82 3.391 1.784 -29.574 1.00 0.00 C ATOM 0 H ALA A 82 4.146 3.021 -27.580 1.00 0.00 H new ATOM 0 HA ALA A 82 3.254 3.841 -30.142 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.885 1.418 -30.467 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.469 1.751 -29.729 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.127 1.155 -28.724 1.00 0.00 H new ATOM 356 N GLY A 83 0.942 2.886 -27.995 1.00 0.00 N ATOM 357 CA GLY A 83 -0.489 2.919 -27.753 1.00 0.00 C ATOM 358 C GLY A 83 -1.051 4.326 -27.792 1.00 0.00 C ATOM 359 O GLY A 83 -2.025 4.595 -28.495 1.00 0.00 O ATOM 0 H GLY A 83 1.500 2.530 -27.219 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.995 2.308 -28.501 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.700 2.473 -26.781 1.00 0.00 H new ATOM 363 N VAL A 84 -0.438 5.228 -27.031 1.00 0.00 N ATOM 364 CA VAL A 84 -0.883 6.615 -26.981 1.00 0.00 C ATOM 365 C VAL A 84 -0.964 7.218 -28.379 1.00 0.00 C ATOM 366 O VAL A 84 -2.022 7.682 -28.805 1.00 0.00 O ATOM 367 CB VAL A 84 0.058 7.476 -26.117 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.246 8.954 -26.305 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.055 7.082 -24.652 1.00 0.00 C ATOM 0 H VAL A 84 0.368 5.022 -26.441 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.876 6.612 -26.532 1.00 0.00 H new ATOM 0 HB VAL A 84 1.084 7.297 -26.440 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.429 9.546 -25.687 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.109 9.223 -27.352 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.276 9.154 -26.011 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.616 7.700 -24.056 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.081 7.230 -24.314 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.218 6.033 -24.535 1.00 0.00 H new ATOM 379 N ILE A 85 0.159 7.206 -29.089 1.00 0.00 N ATOM 380 CA ILE A 85 0.214 7.750 -30.440 1.00 0.00 C ATOM 381 C ILE A 85 -0.828 7.095 -31.339 1.00 0.00 C ATOM 382 O ILE A 85 -1.477 7.762 -32.144 1.00 0.00 O ATOM 383 CB ILE A 85 1.608 7.560 -31.066 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.667 8.296 -30.242 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.613 8.053 -32.506 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.498 9.799 -30.245 1.00 0.00 C ATOM 0 H ILE A 85 1.043 6.825 -28.751 1.00 0.00 H new ATOM 0 HA ILE A 85 0.002 8.816 -30.360 1.00 0.00 H new ATOM 0 HB ILE A 85 1.849 6.497 -31.065 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.630 7.936 -29.214 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.655 8.049 -30.631 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.605 7.912 -32.935 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.883 7.489 -33.086 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.355 9.112 -32.529 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.283 10.255 -29.641 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.565 10.171 -31.268 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.524 10.056 -29.828 1.00 0.00 H new ATOM 398 N GLY A 86 -0.986 5.782 -31.195 1.00 0.00 N ATOM 399 CA GLY A 86 -1.953 5.058 -31.999 1.00 0.00 C ATOM 400 C GLY A 86 -3.364 5.581 -31.819 1.00 0.00 C ATOM 401 O GLY A 86 -4.048 5.894 -32.795 1.00 0.00 O ATOM 0 H GLY A 86 -0.461 5.207 -30.536 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.674 5.130 -33.050 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.924 4.001 -31.733 1.00 0.00 H new ATOM 405 N THR A 87 -3.804 5.675 -30.568 1.00 0.00 N ATOM 406 CA THR A 87 -5.144 6.160 -30.264 1.00 0.00 C ATOM 407 C THR A 87 -5.368 7.554 -30.839 1.00 0.00 C ATOM 408 O THR A 87 -6.413 7.832 -31.428 1.00 0.00 O ATOM 409 CB THR A 87 -5.396 6.198 -28.745 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.834 5.035 -28.126 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.886 6.268 -28.445 1.00 0.00 C ATOM 0 H THR A 87 -3.251 5.421 -29.749 1.00 0.00 H new ATOM 0 HA THR A 87 -5.844 5.463 -30.724 1.00 0.00 H new ATOM 0 HB THR A 87 -4.918 7.091 -28.342 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.911 4.271 -28.735 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.039 6.294 -27.366 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.305 7.169 -28.893 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.382 5.391 -28.861 1.00 0.00 H new ATOM 419 N ILE A 88 -4.380 8.426 -30.666 1.00 0.00 N ATOM 420 CA ILE A 88 -4.470 9.791 -31.170 1.00 0.00 C ATOM 421 C ILE A 88 -4.784 9.806 -32.662 1.00 0.00 C ATOM 422 O ILE A 88 -5.716 10.479 -33.105 1.00 0.00 O ATOM 423 CB ILE A 88 -3.164 10.569 -30.924 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.850 10.621 -29.427 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.268 11.974 -31.498 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.386 10.853 -29.124 1.00 0.00 C ATOM 0 H ILE A 88 -3.509 8.212 -30.181 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.280 10.276 -30.625 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.349 10.051 -31.429 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.438 11.416 -28.968 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.164 9.685 -28.965 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.337 12.511 -31.316 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.450 11.916 -32.571 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.092 12.503 -31.019 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.237 10.878 -28.044 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.793 10.045 -29.553 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.071 11.803 -29.556 1.00 0.00 H new ATOM 438 N LEU A 89 -4.002 9.059 -33.433 1.00 0.00 N ATOM 439 CA LEU A 89 -4.197 8.985 -34.877 1.00 0.00 C ATOM 440 C LEU A 89 -5.615 8.531 -35.212 1.00 0.00 C ATOM 441 O LEU A 89 -6.324 9.187 -35.976 1.00 0.00 O ATOM 442 CB LEU A 89 -3.182 8.025 -35.500 1.00 0.00 C ATOM 443 CG LEU A 89 -1.753 8.553 -35.632 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.757 7.404 -35.633 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.607 9.388 -36.896 1.00 0.00 C ATOM 0 H LEU A 89 -3.227 8.496 -33.083 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.047 9.982 -35.291 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.158 7.115 -34.901 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.538 7.745 -36.492 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.541 9.190 -34.773 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.254 7.799 -35.728 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.843 6.847 -34.700 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.967 6.741 -36.472 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.584 9.755 -36.973 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.839 8.774 -37.766 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.294 10.233 -36.855 1.00 0.00 H new ATOM 457 N LEU A 90 -6.022 7.406 -34.634 1.00 0.00 N ATOM 458 CA LEU A 90 -7.356 6.865 -34.869 1.00 0.00 C ATOM 459 C LEU A 90 -8.430 7.881 -34.494 1.00 0.00 C ATOM 460 O LEU A 90 -9.328 8.170 -35.284 1.00 0.00 O ATOM 461 CB LEU A 90 -7.554 5.577 -34.068 1.00 0.00 C ATOM 462 CG LEU A 90 -6.802 4.347 -34.578 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.986 3.176 -33.626 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.272 3.977 -35.978 1.00 0.00 C ATOM 0 H LEU A 90 -5.448 6.851 -34.000 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.449 6.642 -35.932 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.250 5.763 -33.038 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.619 5.345 -34.049 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.740 4.588 -34.624 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.444 2.310 -34.005 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.600 3.443 -32.642 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.046 2.934 -33.547 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.726 3.100 -36.325 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.339 3.756 -35.957 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.088 4.810 -36.656 1.00 0.00 H new ATOM 476 N ILE A 91 -8.329 8.421 -33.284 1.00 0.00 N ATOM 477 CA ILE A 91 -9.289 9.408 -32.805 1.00 0.00 C ATOM 478 C ILE A 91 -9.396 10.584 -33.769 1.00 0.00 C ATOM 479 O ILE A 91 -10.493 10.983 -34.158 1.00 0.00 O ATOM 480 CB ILE A 91 -8.906 9.935 -31.410 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.107 8.845 -30.355 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.727 11.169 -31.066 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.553 8.445 -30.167 1.00 0.00 C ATOM 0 H ILE A 91 -7.592 8.192 -32.617 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.254 8.905 -32.742 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.852 10.214 -31.421 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.529 7.965 -30.639 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.709 9.195 -29.403 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.445 11.530 -30.077 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.539 11.949 -31.804 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.787 10.914 -31.070 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.620 7.669 -29.405 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.133 9.313 -29.853 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.951 8.064 -31.108 1.00 0.00 H new ATOM 495 N SER A 92 -8.248 11.134 -34.153 1.00 0.00 N ATOM 496 CA SER A 92 -8.211 12.266 -35.071 1.00 0.00 C ATOM 497 C SER A 92 -8.962 11.945 -36.360 1.00 0.00 C ATOM 498 O SER A 92 -9.516 12.834 -37.007 1.00 0.00 O ATOM 499 CB SER A 92 -6.764 12.644 -35.391 1.00 0.00 C ATOM 500 OG SER A 92 -6.132 13.238 -34.271 1.00 0.00 O ATOM 0 H SER A 92 -7.331 10.813 -33.842 1.00 0.00 H new ATOM 0 HA SER A 92 -8.701 13.111 -34.586 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.211 11.755 -35.695 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.743 13.336 -36.233 1.00 0.00 H new ATOM 0 HG SER A 92 -5.811 12.537 -33.666 1.00 0.00 H new ATOM 506 N TYR A 93 -8.977 10.668 -36.726 1.00 0.00 N ATOM 507 CA TYR A 93 -9.657 10.228 -37.938 1.00 0.00 C ATOM 508 C TYR A 93 -11.171 10.265 -37.757 1.00 0.00 C ATOM 509 O TYR A 93 -11.911 10.598 -38.683 1.00 0.00 O ATOM 510 CB TYR A 93 -9.212 8.814 -38.313 1.00 0.00 C ATOM 511 CG TYR A 93 -9.676 8.376 -39.684 1.00 0.00 C ATOM 512 CD1 TYR A 93 -9.306 9.082 -40.822 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.486 7.258 -39.841 1.00 0.00 C ATOM 514 CE1 TYR A 93 -9.728 8.686 -42.077 1.00 0.00 C ATOM 515 CE2 TYR A 93 -10.912 6.855 -41.091 1.00 0.00 C ATOM 516 CZ TYR A 93 -10.531 7.572 -42.206 1.00 0.00 C ATOM 517 OH TYR A 93 -10.954 7.174 -43.454 1.00 0.00 O ATOM 0 H TYR A 93 -8.526 9.919 -36.200 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.388 10.912 -38.743 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.124 8.762 -38.273 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.592 8.114 -37.569 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.678 9.955 -40.724 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.788 6.695 -38.970 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.431 9.246 -42.952 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.540 5.983 -41.195 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.495 7.884 -43.858 1.00 0.00 H new ATOM 527 N GLY A 94 -11.626 9.922 -36.556 1.00 0.00 N ATOM 528 CA GLY A 94 -13.049 9.923 -36.273 1.00 0.00 C ATOM 529 C GLY A 94 -13.653 11.312 -36.341 1.00 0.00 C ATOM 530 O GLY A 94 -14.786 11.482 -36.793 1.00 0.00 O ATOM 0 H GLY A 94 -11.034 9.643 -35.774 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.558 9.274 -36.985 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.219 9.504 -35.281 1.00 0.00 H new ATOM 534 N ILE A 95 -12.897 12.306 -35.889 1.00 0.00 N ATOM 535 CA ILE A 95 -13.365 13.687 -35.900 1.00 0.00 C ATOM 536 C ILE A 95 -13.552 14.192 -37.326 1.00 0.00 C ATOM 537 O ILE A 95 -14.429 15.015 -37.594 1.00 0.00 O ATOM 538 CB ILE A 95 -12.385 14.619 -35.162 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.219 14.172 -33.708 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.874 16.058 -35.226 1.00 0.00 C ATOM 541 CD1 ILE A 95 -10.964 14.704 -33.052 1.00 0.00 C ATOM 0 H ILE A 95 -11.958 12.182 -35.511 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.325 13.699 -35.384 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.413 14.563 -35.653 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -13.086 14.500 -33.134 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.205 13.083 -33.671 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.171 16.705 -34.700 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.947 16.372 -36.267 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.855 16.130 -34.756 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.912 14.347 -32.023 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.090 14.355 -33.602 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.985 15.794 -33.057 1.00 0.00 H new ATOM 553 N ARG A 96 -12.725 13.694 -38.239 1.00 0.00 N ATOM 554 CA ARG A 96 -12.800 14.094 -39.638 1.00 0.00 C ATOM 555 C ARG A 96 -13.997 13.444 -40.326 1.00 0.00 C ATOM 556 O ARG A 96 -14.664 14.067 -41.152 1.00 0.00 O ATOM 557 CB ARG A 96 -11.511 13.715 -40.369 1.00 0.00 C ATOM 558 CG ARG A 96 -10.541 14.874 -40.533 1.00 0.00 C ATOM 559 CD ARG A 96 -9.477 14.566 -41.575 1.00 0.00 C ATOM 560 NE ARG A 96 -8.335 15.471 -41.474 1.00 0.00 N ATOM 561 CZ ARG A 96 -8.354 16.729 -41.899 1.00 0.00 C ATOM 562 NH1 ARG A 96 -9.451 17.230 -42.450 1.00 0.00 N ATOM 563 NH2 ARG A 96 -7.274 17.490 -41.773 1.00 0.00 N ATOM 0 H ARG A 96 -11.995 13.012 -38.034 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.925 15.176 -39.674 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.016 12.912 -39.823 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.764 13.322 -41.354 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.089 15.770 -40.825 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.064 15.089 -39.577 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.137 13.538 -41.453 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.913 14.641 -42.571 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.476 15.117 -41.054 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.283 16.649 -42.548 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.462 18.197 -42.775 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.428 17.109 -41.349 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.290 18.456 -42.100 1.00 0.00 H new ATOM 577 N ARG A 97 -14.262 12.189 -39.980 1.00 0.00 N ATOM 578 CA ARG A 97 -15.377 11.454 -40.565 1.00 0.00 C ATOM 579 C ARG A 97 -15.239 11.374 -42.082 1.00 0.00 C ATOM 580 O ARG A 97 -16.232 11.248 -42.801 1.00 0.00 O ATOM 581 CB ARG A 97 -16.704 12.120 -40.197 1.00 0.00 C ATOM 582 CG ARG A 97 -17.865 11.145 -40.083 1.00 0.00 C ATOM 583 CD ARG A 97 -18.961 11.687 -39.179 1.00 0.00 C ATOM 584 NE ARG A 97 -18.579 11.644 -37.770 1.00 0.00 N ATOM 585 CZ ARG A 97 -19.161 12.379 -36.828 1.00 0.00 C ATOM 586 NH1 ARG A 97 -20.145 13.208 -37.144 1.00 0.00 N ATOM 587 NH2 ARG A 97 -18.758 12.284 -35.568 1.00 0.00 N ATOM 0 H ARG A 97 -13.720 11.660 -39.297 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.363 10.441 -40.162 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.587 12.644 -39.249 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.944 12.871 -40.949 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.274 10.947 -41.074 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.505 10.194 -39.691 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.189 12.715 -39.462 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -19.872 11.107 -39.326 1.00 0.00 H new ATOM 0 HE ARG A 97 -17.824 11.016 -37.494 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.457 13.283 -38.112 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -20.590 13.771 -36.419 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -18.001 11.647 -35.321 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -19.205 12.848 -34.846 1.00 0.00 H new ATOM 601 N LEU A 98 -14.003 11.448 -42.563 1.00 0.00 N ATOM 602 CA LEU A 98 -13.735 11.385 -43.996 1.00 0.00 C ATOM 603 C LEU A 98 -13.637 9.938 -44.468 1.00 0.00 C ATOM 604 O LEU A 98 -12.537 9.390 -44.507 1.00 0.00 O ATOM 605 CB LEU A 98 -12.440 12.129 -44.325 1.00 0.00 C ATOM 606 CG LEU A 98 -12.602 13.532 -44.910 1.00 0.00 C ATOM 607 CD1 LEU A 98 -13.430 14.406 -43.980 1.00 0.00 C ATOM 608 CD2 LEU A 98 -11.242 14.164 -45.169 1.00 0.00 C ATOM 0 H LEU A 98 -13.171 11.552 -41.982 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.564 11.863 -44.518 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.846 12.203 -43.414 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.868 11.527 -45.031 1.00 0.00 H new ATOM 0 HG LEU A 98 -13.128 13.449 -45.861 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.535 15.401 -44.413 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.417 13.963 -43.847 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.933 14.482 -43.013 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.378 15.162 -45.585 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.689 14.234 -44.232 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.684 13.549 -45.875 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 20.989 -8.925 -8.942 1.00 0.00 N ATOM 622 CA ARG B 61 20.791 -10.183 -8.233 1.00 0.00 C ATOM 623 C ARG B 61 19.388 -10.731 -8.481 1.00 0.00 C ATOM 624 O ARG B 61 18.394 -10.132 -8.071 1.00 0.00 O ATOM 625 CB ARG B 61 21.015 -9.988 -6.732 1.00 0.00 C ATOM 626 CG ARG B 61 20.309 -8.767 -6.164 1.00 0.00 C ATOM 627 CD ARG B 61 20.578 -8.611 -4.676 1.00 0.00 C ATOM 628 NE ARG B 61 22.006 -8.520 -4.384 1.00 0.00 N ATOM 629 CZ ARG B 61 22.498 -8.381 -3.158 1.00 0.00 C ATOM 630 NH1 ARG B 61 21.682 -8.317 -2.116 1.00 0.00 N ATOM 631 NH2 ARG B 61 23.810 -8.306 -2.973 1.00 0.00 N ATOM 0 HA ARG B 61 21.517 -10.903 -8.611 1.00 0.00 H new ATOM 0 HB2 ARG B 61 20.669 -10.876 -6.203 1.00 0.00 H new ATOM 0 HB3 ARG B 61 22.085 -9.900 -6.541 1.00 0.00 H new ATOM 0 HG2 ARG B 61 20.644 -7.874 -6.691 1.00 0.00 H new ATOM 0 HG3 ARG B 61 19.236 -8.854 -6.334 1.00 0.00 H new ATOM 0 HD2 ARG B 61 20.075 -7.716 -4.309 1.00 0.00 H new ATOM 0 HD3 ARG B 61 20.152 -9.459 -4.140 1.00 0.00 H new ATOM 0 HE ARG B 61 22.661 -8.566 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG B 61 20.673 -8.375 -2.254 1.00 0.00 H new ATOM 0 HH12 ARG B 61 22.063 -8.210 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG B 61 24.441 -8.355 -3.773 1.00 0.00 H new ATOM 0 HH22 ARG B 61 24.187 -8.199 -2.031 1.00 0.00 H new ATOM 645 N VAL B 62 19.316 -11.874 -9.156 1.00 0.00 N ATOM 646 CA VAL B 62 18.037 -12.504 -9.458 1.00 0.00 C ATOM 647 C VAL B 62 17.818 -13.745 -8.600 1.00 0.00 C ATOM 648 O VAL B 62 18.771 -14.434 -8.235 1.00 0.00 O ATOM 649 CB VAL B 62 17.943 -12.899 -10.944 1.00 0.00 C ATOM 650 CG1 VAL B 62 18.958 -13.982 -11.275 1.00 0.00 C ATOM 651 CG2 VAL B 62 16.533 -13.356 -11.285 1.00 0.00 C ATOM 0 H VAL B 62 20.129 -12.382 -9.504 1.00 0.00 H new ATOM 0 HA VAL B 62 17.263 -11.770 -9.234 1.00 0.00 H new ATOM 0 HB VAL B 62 18.173 -12.023 -11.550 1.00 0.00 H new ATOM 0 HG11 VAL B 62 18.876 -14.248 -12.329 1.00 0.00 H new ATOM 0 HG12 VAL B 62 19.963 -13.613 -11.071 1.00 0.00 H new ATOM 0 HG13 VAL B 62 18.763 -14.863 -10.663 1.00 0.00 H new ATOM 0 HG21 VAL B 62 16.485 -13.631 -12.339 1.00 0.00 H new ATOM 0 HG22 VAL B 62 16.272 -14.219 -10.672 1.00 0.00 H new ATOM 0 HG23 VAL B 62 15.831 -12.546 -11.089 1.00 0.00 H new ATOM 661 N GLN B 63 16.558 -14.023 -8.281 1.00 0.00 N ATOM 662 CA GLN B 63 16.215 -15.182 -7.465 1.00 0.00 C ATOM 663 C GLN B 63 16.217 -16.457 -8.302 1.00 0.00 C ATOM 664 O GLN B 63 16.404 -16.414 -9.518 1.00 0.00 O ATOM 665 CB GLN B 63 14.844 -14.986 -6.815 1.00 0.00 C ATOM 666 CG GLN B 63 14.912 -14.726 -5.319 1.00 0.00 C ATOM 667 CD GLN B 63 13.540 -14.591 -4.688 1.00 0.00 C ATOM 668 OE1 GLN B 63 12.733 -15.520 -4.722 1.00 0.00 O ATOM 669 NE2 GLN B 63 13.269 -13.428 -4.106 1.00 0.00 N ATOM 0 H GLN B 63 15.758 -13.462 -8.575 1.00 0.00 H new ATOM 0 HA GLN B 63 16.969 -15.281 -6.684 1.00 0.00 H new ATOM 0 HB2 GLN B 63 14.338 -14.150 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN B 63 14.236 -15.873 -6.994 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.451 -15.541 -4.836 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.482 -13.815 -5.138 1.00 0.00 H new ATOM 0 HE21 GLN B 63 13.968 -12.685 -4.101 1.00 0.00 H new ATOM 0 HE22 GLN B 63 12.362 -13.278 -3.664 1.00 0.00 H new ATOM 678 N LEU B 64 16.010 -17.592 -7.642 1.00 0.00 N ATOM 679 CA LEU B 64 15.988 -18.880 -8.325 1.00 0.00 C ATOM 680 C LEU B 64 15.130 -19.886 -7.564 1.00 0.00 C ATOM 681 O LEU B 64 15.286 -20.060 -6.356 1.00 0.00 O ATOM 682 CB LEU B 64 17.410 -19.421 -8.481 1.00 0.00 C ATOM 683 CG LEU B 64 18.377 -18.549 -9.283 1.00 0.00 C ATOM 684 CD1 LEU B 64 19.801 -19.061 -9.141 1.00 0.00 C ATOM 685 CD2 LEU B 64 17.966 -18.505 -10.747 1.00 0.00 C ATOM 0 H LEU B 64 15.855 -17.646 -6.635 1.00 0.00 H new ATOM 0 HA LEU B 64 15.551 -18.732 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU B 64 17.830 -19.574 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU B 64 17.354 -20.400 -8.958 1.00 0.00 H new ATOM 0 HG LEU B 64 18.337 -17.535 -8.885 1.00 0.00 H new ATOM 0 HD11 LEU B 64 20.475 -18.428 -9.719 1.00 0.00 H new ATOM 0 HD12 LEU B 64 20.093 -19.038 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU B 64 19.858 -20.085 -9.511 1.00 0.00 H new ATOM 0 HD21 LEU B 64 18.665 -17.880 -11.303 1.00 0.00 H new ATOM 0 HD22 LEU B 64 17.976 -19.514 -11.158 1.00 0.00 H new ATOM 0 HD23 LEU B 64 16.962 -18.089 -10.831 1.00 0.00 H new ATOM 697 N ALA B 65 14.225 -20.545 -8.280 1.00 0.00 N ATOM 698 CA ALA B 65 13.345 -21.536 -7.672 1.00 0.00 C ATOM 699 C ALA B 65 12.679 -22.403 -8.735 1.00 0.00 C ATOM 700 O ALA B 65 11.546 -22.855 -8.562 1.00 0.00 O ATOM 701 CB ALA B 65 12.294 -20.852 -6.812 1.00 0.00 C ATOM 0 H ALA B 65 14.082 -20.411 -9.281 1.00 0.00 H new ATOM 0 HA ALA B 65 13.951 -22.184 -7.038 1.00 0.00 H new ATOM 0 HB1 ALA B 65 11.644 -21.604 -6.365 1.00 0.00 H new ATOM 0 HB2 ALA B 65 12.784 -20.281 -6.024 1.00 0.00 H new ATOM 0 HB3 ALA B 65 11.699 -20.180 -7.430 1.00 0.00 H new ATOM 707 N HIS B 66 13.389 -22.633 -9.836 1.00 0.00 N ATOM 708 CA HIS B 66 12.865 -23.446 -10.927 1.00 0.00 C ATOM 709 C HIS B 66 11.435 -23.041 -11.269 1.00 0.00 C ATOM 710 O HIS B 66 10.475 -23.643 -10.786 1.00 0.00 O ATOM 711 CB HIS B 66 12.912 -24.928 -10.554 1.00 0.00 C ATOM 712 CG HIS B 66 12.226 -25.817 -11.545 1.00 0.00 C ATOM 713 ND1 HIS B 66 11.003 -26.408 -11.306 1.00 0.00 N ATOM 714 CD2 HIS B 66 12.597 -26.214 -12.785 1.00 0.00 C ATOM 715 CE1 HIS B 66 10.652 -27.130 -12.355 1.00 0.00 C ATOM 716 NE2 HIS B 66 11.602 -27.029 -13.267 1.00 0.00 N ATOM 0 H HIS B 66 14.328 -22.268 -9.995 1.00 0.00 H new ATOM 0 HA HIS B 66 13.490 -23.279 -11.804 1.00 0.00 H new ATOM 0 HB2 HIS B 66 13.953 -25.238 -10.460 1.00 0.00 H new ATOM 0 HB3 HIS B 66 12.450 -25.063 -9.576 1.00 0.00 H new ATOM 0 HD2 HIS B 66 13.506 -25.941 -13.300 1.00 0.00 H new ATOM 0 HE1 HIS B 66 9.743 -27.705 -12.451 1.00 0.00 H new ATOM 0 HE2 HIS B 66 11.597 -27.482 -14.181 1.00 0.00 H new ATOM 724 N HIS B 67 11.299 -22.016 -12.104 1.00 0.00 N ATOM 725 CA HIS B 67 9.985 -21.530 -12.511 1.00 0.00 C ATOM 726 C HIS B 67 10.114 -20.418 -13.548 1.00 0.00 C ATOM 727 O HIS B 67 9.858 -19.250 -13.256 1.00 0.00 O ATOM 728 CB HIS B 67 9.207 -21.022 -11.296 1.00 0.00 C ATOM 729 CG HIS B 67 7.833 -20.528 -11.629 1.00 0.00 C ATOM 730 ND1 HIS B 67 7.012 -21.149 -12.546 1.00 0.00 N ATOM 731 CD2 HIS B 67 7.136 -19.467 -11.159 1.00 0.00 C ATOM 732 CE1 HIS B 67 5.869 -20.490 -12.627 1.00 0.00 C ATOM 733 NE2 HIS B 67 5.919 -19.465 -11.795 1.00 0.00 N ATOM 0 H HIS B 67 12.082 -21.506 -12.512 1.00 0.00 H new ATOM 0 HA HIS B 67 9.441 -22.361 -12.960 1.00 0.00 H new ATOM 0 HB2 HIS B 67 9.128 -21.825 -10.564 1.00 0.00 H new ATOM 0 HB3 HIS B 67 9.770 -20.216 -10.825 1.00 0.00 H new ATOM 0 HD2 HIS B 67 7.474 -18.755 -10.421 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.036 -20.746 -13.265 1.00 0.00 H new ATOM 0 HE2 HIS B 67 5.175 -18.783 -11.649 1.00 0.00 H new ATOM 741 N PHE B 68 10.513 -20.789 -14.760 1.00 0.00 N ATOM 742 CA PHE B 68 10.678 -19.824 -15.840 1.00 0.00 C ATOM 743 C PHE B 68 9.349 -19.156 -16.180 1.00 0.00 C ATOM 744 O PHE B 68 8.289 -19.597 -15.736 1.00 0.00 O ATOM 745 CB PHE B 68 11.250 -20.509 -17.083 1.00 0.00 C ATOM 746 CG PHE B 68 12.393 -19.761 -17.707 1.00 0.00 C ATOM 747 CD1 PHE B 68 13.590 -19.602 -17.026 1.00 0.00 C ATOM 748 CD2 PHE B 68 12.271 -19.215 -18.975 1.00 0.00 C ATOM 749 CE1 PHE B 68 14.644 -18.915 -17.598 1.00 0.00 C ATOM 750 CE2 PHE B 68 13.322 -18.526 -19.551 1.00 0.00 C ATOM 751 CZ PHE B 68 14.509 -18.375 -18.862 1.00 0.00 C ATOM 0 H PHE B 68 10.728 -21.752 -15.019 1.00 0.00 H new ATOM 0 HA PHE B 68 11.375 -19.057 -15.504 1.00 0.00 H new ATOM 0 HB2 PHE B 68 11.585 -21.511 -16.814 1.00 0.00 H new ATOM 0 HB3 PHE B 68 10.457 -20.626 -17.821 1.00 0.00 H new ATOM 0 HD1 PHE B 68 13.700 -20.020 -16.036 1.00 0.00 H new ATOM 0 HD2 PHE B 68 11.345 -19.329 -19.519 1.00 0.00 H new ATOM 0 HE1 PHE B 68 15.572 -18.801 -17.057 1.00 0.00 H new ATOM 0 HE2 PHE B 68 13.215 -18.106 -20.540 1.00 0.00 H new ATOM 0 HZ PHE B 68 15.330 -17.836 -19.311 1.00 0.00 H new ATOM 761 N SER B 69 9.414 -18.090 -16.972 1.00 0.00 N ATOM 762 CA SER B 69 8.217 -17.359 -17.369 1.00 0.00 C ATOM 763 C SER B 69 8.533 -16.363 -18.481 1.00 0.00 C ATOM 764 O SER B 69 9.604 -16.411 -19.085 1.00 0.00 O ATOM 765 CB SER B 69 7.619 -16.625 -16.166 1.00 0.00 C ATOM 766 OG SER B 69 6.302 -16.181 -16.443 1.00 0.00 O ATOM 0 H SER B 69 10.283 -17.714 -17.351 1.00 0.00 H new ATOM 0 HA SER B 69 7.490 -18.079 -17.745 1.00 0.00 H new ATOM 0 HB2 SER B 69 7.608 -17.287 -15.300 1.00 0.00 H new ATOM 0 HB3 SER B 69 8.247 -15.772 -15.907 1.00 0.00 H new ATOM 0 HG SER B 69 5.942 -15.717 -15.659 1.00 0.00 H new ATOM 772 N GLU B 70 7.591 -15.462 -18.745 1.00 0.00 N ATOM 773 CA GLU B 70 7.769 -14.455 -19.785 1.00 0.00 C ATOM 774 C GLU B 70 6.873 -13.246 -19.530 1.00 0.00 C ATOM 775 O GLU B 70 5.924 -12.979 -20.266 1.00 0.00 O ATOM 776 CB GLU B 70 7.460 -15.051 -21.160 1.00 0.00 C ATOM 777 CG GLU B 70 8.611 -15.849 -21.750 1.00 0.00 C ATOM 778 CD GLU B 70 8.469 -16.059 -23.245 1.00 0.00 C ATOM 779 OE1 GLU B 70 7.347 -16.371 -23.696 1.00 0.00 O ATOM 780 OE2 GLU B 70 9.480 -15.913 -23.964 1.00 0.00 O ATOM 0 H GLU B 70 6.699 -15.409 -18.254 1.00 0.00 H new ATOM 0 HA GLU B 70 8.808 -14.127 -19.764 1.00 0.00 H new ATOM 0 HB2 GLU B 70 6.585 -15.697 -21.079 1.00 0.00 H new ATOM 0 HB3 GLU B 70 7.199 -14.245 -21.846 1.00 0.00 H new ATOM 0 HG2 GLU B 70 9.549 -15.332 -21.547 1.00 0.00 H new ATOM 0 HG3 GLU B 70 8.668 -16.818 -21.254 1.00 0.00 H new ATOM 787 N PRO B 71 7.182 -12.497 -18.460 1.00 0.00 N ATOM 788 CA PRO B 71 6.418 -11.305 -18.083 1.00 0.00 C ATOM 789 C PRO B 71 6.613 -10.156 -19.066 1.00 0.00 C ATOM 790 O PRO B 71 5.893 -9.159 -19.020 1.00 0.00 O ATOM 791 CB PRO B 71 6.989 -10.937 -16.711 1.00 0.00 C ATOM 792 CG PRO B 71 8.367 -11.504 -16.710 1.00 0.00 C ATOM 793 CD PRO B 71 8.300 -12.757 -17.538 1.00 0.00 C ATOM 0 HA PRO B 71 5.345 -11.494 -18.077 1.00 0.00 H new ATOM 0 HB2 PRO B 71 7.005 -9.857 -16.566 1.00 0.00 H new ATOM 0 HB3 PRO B 71 6.387 -11.358 -15.906 1.00 0.00 H new ATOM 0 HG2 PRO B 71 9.081 -10.796 -17.131 1.00 0.00 H new ATOM 0 HG3 PRO B 71 8.698 -11.724 -15.695 1.00 0.00 H new ATOM 0 HD2 PRO B 71 9.232 -12.934 -18.076 1.00 0.00 H new ATOM 0 HD3 PRO B 71 8.116 -13.637 -16.921 1.00 0.00 H new ATOM 801 N GLU B 72 7.592 -10.302 -19.954 1.00 0.00 N ATOM 802 CA GLU B 72 7.881 -9.275 -20.948 1.00 0.00 C ATOM 803 C GLU B 72 6.617 -8.881 -21.706 1.00 0.00 C ATOM 804 O GLU B 72 6.199 -7.723 -21.677 1.00 0.00 O ATOM 805 CB GLU B 72 8.944 -9.770 -21.930 1.00 0.00 C ATOM 806 CG GLU B 72 9.468 -8.686 -22.857 1.00 0.00 C ATOM 807 CD GLU B 72 10.075 -9.248 -24.128 1.00 0.00 C ATOM 808 OE1 GLU B 72 9.910 -10.460 -24.380 1.00 0.00 O ATOM 809 OE2 GLU B 72 10.716 -8.475 -24.871 1.00 0.00 O ATOM 0 H GLU B 72 8.198 -11.121 -20.005 1.00 0.00 H new ATOM 0 HA GLU B 72 8.260 -8.396 -20.426 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.778 -10.190 -21.368 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.525 -10.578 -22.530 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.653 -8.010 -23.116 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.218 -8.095 -22.331 1.00 0.00 H new ATOM 816 N ILE B 73 6.013 -9.851 -22.383 1.00 0.00 N ATOM 817 CA ILE B 73 4.797 -9.606 -23.148 1.00 0.00 C ATOM 818 C ILE B 73 3.780 -8.819 -22.328 1.00 0.00 C ATOM 819 O ILE B 73 3.298 -7.770 -22.755 1.00 0.00 O ATOM 820 CB ILE B 73 4.152 -10.923 -23.618 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.277 -11.993 -22.532 1.00 0.00 C ATOM 822 CG2 ILE B 73 4.796 -11.397 -24.912 1.00 0.00 C ATOM 823 CD1 ILE B 73 2.946 -12.545 -22.071 1.00 0.00 C ATOM 0 H ILE B 73 6.346 -10.815 -22.417 1.00 0.00 H new ATOM 0 HA ILE B 73 5.087 -9.021 -24.021 1.00 0.00 H new ATOM 0 HB ILE B 73 3.093 -10.744 -23.806 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.890 -12.812 -22.909 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.802 -11.570 -21.675 1.00 0.00 H new ATOM 0 HG21 ILE B 73 4.329 -12.329 -25.231 1.00 0.00 H new ATOM 0 HG22 ILE B 73 4.660 -10.640 -25.685 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.861 -11.562 -24.749 1.00 0.00 H new ATOM 0 HD11 ILE B 73 3.112 -13.298 -21.301 1.00 0.00 H new ATOM 0 HD12 ILE B 73 2.338 -11.737 -21.663 1.00 0.00 H new ATOM 0 HD13 ILE B 73 2.428 -12.998 -22.916 1.00 0.00 H new ATOM 835 N THR B 74 3.459 -9.332 -21.144 1.00 0.00 N ATOM 836 CA THR B 74 2.501 -8.678 -20.262 1.00 0.00 C ATOM 837 C THR B 74 2.816 -7.195 -20.111 1.00 0.00 C ATOM 838 O THR B 74 1.933 -6.345 -20.241 1.00 0.00 O ATOM 839 CB THR B 74 2.483 -9.332 -18.868 1.00 0.00 C ATOM 840 OG1 THR B 74 2.202 -10.731 -18.986 1.00 0.00 O ATOM 841 CG2 THR B 74 1.443 -8.674 -17.974 1.00 0.00 C ATOM 0 H THR B 74 3.849 -10.199 -20.774 1.00 0.00 H new ATOM 0 HA THR B 74 1.519 -8.793 -20.722 1.00 0.00 H new ATOM 0 HB THR B 74 3.465 -9.196 -18.416 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.194 -11.139 -18.095 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.449 -9.153 -16.995 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.677 -7.615 -17.861 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.456 -8.781 -18.424 1.00 0.00 H new ATOM 849 N LEU B 75 4.079 -6.888 -19.838 1.00 0.00 N ATOM 850 CA LEU B 75 4.512 -5.505 -19.670 1.00 0.00 C ATOM 851 C LEU B 75 4.158 -4.671 -20.897 1.00 0.00 C ATOM 852 O LEU B 75 3.599 -3.580 -20.779 1.00 0.00 O ATOM 853 CB LEU B 75 6.020 -5.448 -19.418 1.00 0.00 C ATOM 854 CG LEU B 75 6.505 -6.074 -18.110 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.025 -6.108 -18.067 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.953 -5.310 -16.916 1.00 0.00 C ATOM 0 H LEU B 75 4.822 -7.578 -19.728 1.00 0.00 H new ATOM 0 HA LEU B 75 3.990 -5.089 -18.808 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.526 -5.946 -20.245 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.332 -4.404 -19.436 1.00 0.00 H new ATOM 0 HG LEU B 75 6.137 -7.099 -18.061 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.353 -6.557 -17.129 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.399 -6.699 -18.902 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.414 -5.092 -18.139 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.309 -5.770 -15.994 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.291 -4.275 -16.959 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.864 -5.338 -16.938 1.00 0.00 H new ATOM 868 N ILE B 76 4.486 -5.192 -22.075 1.00 0.00 N ATOM 869 CA ILE B 76 4.200 -4.497 -23.323 1.00 0.00 C ATOM 870 C ILE B 76 2.714 -4.176 -23.446 1.00 0.00 C ATOM 871 O ILE B 76 2.338 -3.055 -23.790 1.00 0.00 O ATOM 872 CB ILE B 76 4.636 -5.330 -24.544 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.099 -5.755 -24.402 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.431 -4.537 -25.826 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.069 -4.593 -24.405 1.00 0.00 C ATOM 0 H ILE B 76 4.950 -6.093 -22.191 1.00 0.00 H new ATOM 0 HA ILE B 76 4.770 -3.568 -23.304 1.00 0.00 H new ATOM 0 HB ILE B 76 4.020 -6.228 -24.593 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.218 -6.315 -23.474 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.353 -6.432 -25.218 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.743 -5.138 -26.680 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.377 -4.279 -25.930 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.026 -3.624 -25.788 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.087 -4.969 -24.301 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.978 -4.046 -25.343 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.841 -3.927 -23.573 1.00 0.00 H new ATOM 887 N ILE B 77 1.875 -5.166 -23.161 1.00 0.00 N ATOM 888 CA ILE B 77 0.430 -4.988 -23.237 1.00 0.00 C ATOM 889 C ILE B 77 -0.050 -3.957 -22.221 1.00 0.00 C ATOM 890 O ILE B 77 -0.785 -3.030 -22.561 1.00 0.00 O ATOM 891 CB ILE B 77 -0.314 -6.315 -22.996 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.193 -7.391 -23.958 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.814 -6.117 -23.156 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.605 -8.674 -23.904 1.00 0.00 C ATOM 0 H ILE B 77 2.171 -6.099 -22.875 1.00 0.00 H new ATOM 0 HA ILE B 77 0.207 -4.634 -24.244 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.118 -6.645 -21.976 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.167 -6.999 -24.975 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.235 -7.611 -23.728 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.326 -7.063 -22.983 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.163 -5.378 -22.434 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.029 -5.767 -24.166 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.189 -9.391 -24.612 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.559 -9.089 -22.897 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.643 -8.468 -24.164 1.00 0.00 H new ATOM 906 N PHE B 78 0.372 -4.124 -20.972 1.00 0.00 N ATOM 907 CA PHE B 78 -0.015 -3.208 -19.905 1.00 0.00 C ATOM 908 C PHE B 78 0.322 -1.767 -20.278 1.00 0.00 C ATOM 909 O PHE B 78 -0.506 -0.868 -20.136 1.00 0.00 O ATOM 910 CB PHE B 78 0.688 -3.586 -18.600 1.00 0.00 C ATOM 911 CG PHE B 78 0.543 -2.552 -17.520 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.537 -2.584 -16.652 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.487 -1.548 -17.373 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.672 -1.633 -15.658 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.356 -0.594 -16.380 1.00 0.00 C ATOM 916 CZ PHE B 78 0.276 -0.638 -15.521 1.00 0.00 C ATOM 0 H PHE B 78 0.982 -4.885 -20.674 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.093 -3.287 -19.765 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.286 -4.533 -18.241 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.748 -3.745 -18.800 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.281 -3.360 -16.753 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.335 -1.510 -18.041 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.519 -1.668 -14.989 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.098 0.184 -16.277 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.173 0.104 -14.743 1.00 0.00 H new ATOM 926 N GLY B 79 1.544 -1.555 -20.756 1.00 0.00 N ATOM 927 CA GLY B 79 1.970 -0.222 -21.141 1.00 0.00 C ATOM 928 C GLY B 79 1.059 0.400 -22.181 1.00 0.00 C ATOM 929 O GLY B 79 0.548 1.503 -21.989 1.00 0.00 O ATOM 0 H GLY B 79 2.247 -2.283 -20.884 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.997 0.417 -20.258 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.986 -0.268 -21.533 1.00 0.00 H new ATOM 933 N VAL B 80 0.855 -0.310 -23.286 1.00 0.00 N ATOM 934 CA VAL B 80 -0.001 0.179 -24.361 1.00 0.00 C ATOM 935 C VAL B 80 -1.435 0.369 -23.879 1.00 0.00 C ATOM 936 O VAL B 80 -2.133 1.280 -24.322 1.00 0.00 O ATOM 937 CB VAL B 80 0.002 -0.784 -25.563 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.834 -0.220 -26.702 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.426 -1.059 -26.021 1.00 0.00 C ATOM 0 H VAL B 80 1.270 -1.225 -23.460 1.00 0.00 H new ATOM 0 HA VAL B 80 0.404 1.141 -24.675 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.444 -1.728 -25.251 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.820 -0.914 -27.542 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.861 -0.079 -26.365 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.421 0.738 -27.016 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.409 -1.741 -26.871 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.900 -0.123 -26.316 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.990 -1.510 -25.205 1.00 0.00 H new ATOM 949 N MET B 81 -1.867 -0.497 -22.969 1.00 0.00 N ATOM 950 CA MET B 81 -3.218 -0.424 -22.425 1.00 0.00 C ATOM 951 C MET B 81 -3.410 0.857 -21.619 1.00 0.00 C ATOM 952 O MET B 81 -4.410 1.557 -21.778 1.00 0.00 O ATOM 953 CB MET B 81 -3.503 -1.642 -21.544 1.00 0.00 C ATOM 954 CG MET B 81 -3.824 -2.900 -22.333 1.00 0.00 C ATOM 955 SD MET B 81 -4.019 -4.350 -21.279 1.00 0.00 S ATOM 956 CE MET B 81 -5.733 -4.184 -20.787 1.00 0.00 C ATOM 0 H MET B 81 -1.301 -1.258 -22.593 1.00 0.00 H new ATOM 0 HA MET B 81 -3.919 -0.417 -23.259 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.637 -1.832 -20.909 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.339 -1.414 -20.883 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.740 -2.743 -22.902 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.028 -3.085 -23.055 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.005 -5.010 -20.130 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.870 -3.240 -20.259 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.369 -4.200 -21.672 1.00 0.00 H new ATOM 966 N ALA B 82 -2.447 1.158 -20.755 1.00 0.00 N ATOM 967 CA ALA B 82 -2.511 2.355 -19.926 1.00 0.00 C ATOM 968 C ALA B 82 -2.422 3.617 -20.778 1.00 0.00 C ATOM 969 O ALA B 82 -3.180 4.566 -20.579 1.00 0.00 O ATOM 970 CB ALA B 82 -1.399 2.338 -18.888 1.00 0.00 C ATOM 0 H ALA B 82 -1.613 0.589 -20.611 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.472 2.361 -19.412 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.459 3.238 -18.276 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.508 1.459 -18.253 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.432 2.305 -19.391 1.00 0.00 H new ATOM 976 N GLY B 83 -1.491 3.622 -21.727 1.00 0.00 N ATOM 977 CA GLY B 83 -1.320 4.773 -22.593 1.00 0.00 C ATOM 978 C GLY B 83 -2.546 5.046 -23.442 1.00 0.00 C ATOM 979 O GLY B 83 -3.056 6.166 -23.467 1.00 0.00 O ATOM 0 H GLY B 83 -0.852 2.849 -21.911 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.099 5.651 -21.986 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.460 4.610 -23.243 1.00 0.00 H new ATOM 983 N VAL B 84 -3.019 4.021 -24.143 1.00 0.00 N ATOM 984 CA VAL B 84 -4.193 4.155 -24.998 1.00 0.00 C ATOM 985 C VAL B 84 -5.372 4.735 -24.225 1.00 0.00 C ATOM 986 O VAL B 84 -5.917 5.776 -24.593 1.00 0.00 O ATOM 987 CB VAL B 84 -4.605 2.800 -25.602 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.970 2.905 -26.266 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.557 2.318 -26.593 1.00 0.00 C ATOM 0 H VAL B 84 -2.607 3.088 -24.136 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.921 4.836 -25.805 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.674 2.068 -24.797 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.245 1.938 -26.687 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.713 3.203 -25.526 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.931 3.650 -27.061 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.864 1.359 -27.010 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.454 3.047 -27.397 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.600 2.202 -26.083 1.00 0.00 H new ATOM 999 N ILE B 85 -5.762 4.054 -23.153 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.876 4.503 -22.327 1.00 0.00 C ATOM 1001 C ILE B 85 -6.656 5.929 -21.835 1.00 0.00 C ATOM 1002 O ILE B 85 -7.581 6.740 -21.816 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.084 3.579 -21.112 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.416 2.159 -21.575 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.188 4.122 -20.217 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.736 2.055 -22.307 1.00 0.00 C ATOM 0 H ILE B 85 -5.323 3.189 -22.836 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.767 4.471 -22.954 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.159 3.546 -20.536 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.619 1.803 -22.228 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.438 1.499 -20.708 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.323 3.458 -19.363 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.914 5.116 -19.864 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.118 4.181 -20.782 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.906 1.021 -22.606 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.543 2.380 -21.650 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.712 2.689 -23.193 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.423 6.229 -21.437 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.103 7.558 -20.951 1.00 0.00 C ATOM 1020 C GLY B 86 -5.393 8.636 -21.977 1.00 0.00 C ATOM 1021 O GLY B 86 -6.081 9.614 -21.684 1.00 0.00 O ATOM 0 H GLY B 86 -4.640 5.575 -21.443 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.676 7.758 -20.046 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.049 7.597 -20.676 1.00 0.00 H new ATOM 1025 N THR B 87 -4.867 8.459 -23.185 1.00 0.00 N ATOM 1026 CA THR B 87 -5.071 9.425 -24.257 1.00 0.00 C ATOM 1027 C THR B 87 -6.556 9.638 -24.530 1.00 0.00 C ATOM 1028 O THR B 87 -7.012 10.771 -24.682 1.00 0.00 O ATOM 1029 CB THR B 87 -4.381 8.975 -25.558 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.105 8.395 -25.261 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.201 10.148 -26.509 1.00 0.00 C ATOM 0 H THR B 87 -4.296 7.655 -23.445 1.00 0.00 H new ATOM 0 HA THR B 87 -4.627 10.363 -23.925 1.00 0.00 H new ATOM 0 HB THR B 87 -5.015 8.231 -26.040 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.687 8.885 -24.522 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.712 9.805 -27.421 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.176 10.569 -26.756 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.587 10.912 -26.032 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.304 8.542 -24.590 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.738 8.609 -24.843 1.00 0.00 C ATOM 1041 C ILE B 88 -9.429 9.536 -23.848 1.00 0.00 C ATOM 1042 O ILE B 88 -10.173 10.438 -24.236 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.390 7.216 -24.767 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.757 6.276 -25.796 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.891 7.321 -24.990 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.918 4.811 -25.455 1.00 0.00 C ATOM 0 H ILE B 88 -6.941 7.597 -24.467 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.862 9.004 -25.851 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.218 6.804 -23.773 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.204 6.465 -26.772 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.695 6.506 -25.882 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.338 6.328 -24.933 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.329 7.960 -24.223 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.084 7.750 -25.973 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.446 4.204 -26.227 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.446 4.607 -24.494 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.978 4.565 -25.398 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.176 9.310 -22.564 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.772 10.126 -21.512 1.00 0.00 C ATOM 1060 C LEU B 89 -9.443 11.602 -21.716 1.00 0.00 C ATOM 1061 O LEU B 89 -10.337 12.449 -21.746 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.275 9.666 -20.140 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.888 8.372 -19.604 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.032 7.800 -18.484 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.310 8.614 -19.121 1.00 0.00 C ATOM 0 H LEU B 89 -8.562 8.569 -22.226 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.854 10.004 -21.560 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.194 9.538 -20.191 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.468 10.461 -19.420 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.921 7.645 -20.416 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.484 6.879 -18.115 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.032 7.587 -18.863 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.966 8.523 -17.671 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.730 7.682 -18.743 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.302 9.358 -18.324 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.919 8.977 -19.949 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.157 11.902 -21.857 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.710 13.276 -22.060 1.00 0.00 C ATOM 1079 C LEU B 90 -8.367 13.885 -23.295 1.00 0.00 C ATOM 1080 O LEU B 90 -8.941 14.973 -23.232 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.188 13.322 -22.204 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.387 12.694 -21.062 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.058 12.161 -21.573 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.165 13.706 -19.948 1.00 0.00 C ATOM 0 H LEU B 90 -7.405 11.213 -21.835 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.004 13.860 -21.188 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.915 12.819 -23.132 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.884 14.364 -22.305 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.959 11.859 -20.658 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.502 11.718 -20.747 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.239 11.404 -22.336 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.479 12.978 -22.003 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.594 13.242 -19.144 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.614 14.562 -20.338 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.128 14.040 -19.563 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.281 13.176 -24.415 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.871 13.645 -25.663 1.00 0.00 C ATOM 1098 C ILE B 91 -10.354 13.954 -25.489 1.00 0.00 C ATOM 1099 O ILE B 91 -10.828 15.018 -25.887 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.703 12.609 -26.790 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.234 12.510 -27.207 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.573 12.977 -27.982 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.699 13.775 -27.841 1.00 0.00 C ATOM 0 H ILE B 91 -7.809 12.275 -24.484 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.342 14.558 -25.938 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.022 11.635 -26.418 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.632 12.269 -26.331 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.119 11.685 -27.909 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.443 12.235 -28.770 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.619 13.001 -27.675 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.282 13.958 -28.356 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.653 13.632 -28.111 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.277 14.006 -28.736 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.782 14.600 -27.133 1.00 0.00 H new ATOM 1115 N SER B 92 -11.081 13.017 -24.889 1.00 0.00 N ATOM 1116 CA SER B 92 -12.511 13.188 -24.663 1.00 0.00 C ATOM 1117 C SER B 92 -12.790 14.475 -23.893 1.00 0.00 C ATOM 1118 O SER B 92 -13.849 15.084 -24.042 1.00 0.00 O ATOM 1119 CB SER B 92 -13.075 11.990 -23.896 1.00 0.00 C ATOM 1120 OG SER B 92 -13.114 10.833 -24.714 1.00 0.00 O ATOM 0 H SER B 92 -10.703 12.132 -24.551 1.00 0.00 H new ATOM 0 HA SER B 92 -13.001 13.253 -25.634 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.462 11.796 -23.016 1.00 0.00 H new ATOM 0 HB3 SER B 92 -14.079 12.222 -23.540 1.00 0.00 H new ATOM 0 HG SER B 92 -12.222 10.428 -24.750 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.831 14.883 -23.069 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.972 16.097 -22.273 1.00 0.00 C ATOM 1128 C TYR B 93 -11.846 17.340 -23.148 1.00 0.00 C ATOM 1129 O TYR B 93 -12.538 18.335 -22.937 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.919 16.130 -21.165 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.169 17.198 -20.124 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -10.853 18.528 -20.376 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.720 16.878 -18.889 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -11.079 19.507 -19.428 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.950 17.851 -17.936 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.628 19.164 -18.210 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.855 20.136 -17.263 1.00 0.00 O ATOM 0 H TYR B 93 -10.948 14.391 -22.935 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.964 16.092 -21.822 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.889 15.157 -20.675 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.938 16.293 -21.612 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -10.424 18.800 -21.329 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -11.973 15.851 -18.671 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -10.827 20.536 -19.639 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -12.380 17.585 -16.981 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.246 19.728 -16.463 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.955 17.274 -24.133 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.752 18.400 -25.027 1.00 0.00 C ATOM 1149 C GLY B 94 -11.981 18.706 -25.861 1.00 0.00 C ATOM 1150 O GLY B 94 -12.285 19.870 -26.125 1.00 0.00 O ATOM 0 H GLY B 94 -10.370 16.461 -24.328 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.485 19.280 -24.443 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.911 18.189 -25.688 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.687 17.661 -26.277 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.888 17.825 -27.086 1.00 0.00 C ATOM 1156 C ILE B 95 -14.989 18.529 -26.300 1.00 0.00 C ATOM 1157 O ILE B 95 -15.799 19.263 -26.867 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.419 16.469 -27.587 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.355 15.760 -28.429 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.695 16.664 -28.392 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.953 16.529 -29.667 1.00 0.00 C ATOM 0 H ILE B 95 -12.448 16.692 -26.067 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.609 18.437 -27.944 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.649 15.844 -26.724 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.471 15.589 -27.814 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.731 14.781 -28.726 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.058 15.696 -28.739 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.453 17.132 -27.764 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.489 17.304 -29.250 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.196 15.967 -30.215 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.826 16.677 -30.303 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.547 17.498 -29.377 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.011 18.302 -24.990 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.012 18.915 -24.126 1.00 0.00 C ATOM 1175 C ARG B 96 -15.700 20.391 -23.895 1.00 0.00 C ATOM 1176 O ARG B 96 -16.594 21.237 -23.926 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.077 18.181 -22.785 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.476 18.119 -22.192 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.795 19.368 -21.387 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.993 19.201 -20.569 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.229 19.271 -21.052 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.427 19.504 -22.341 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.268 19.107 -20.243 1.00 0.00 N ATOM 0 H ARG B 96 -14.347 17.698 -24.505 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.980 18.839 -24.622 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.702 17.166 -22.917 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.413 18.676 -22.077 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.207 18.004 -22.992 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.563 17.241 -21.553 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.949 19.611 -20.745 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.933 20.210 -22.065 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.875 19.021 -19.572 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.630 19.630 -22.965 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.377 19.557 -22.710 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.118 18.927 -19.250 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -22.217 19.161 -20.614 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.426 20.692 -23.662 1.00 0.00 N ATOM 1198 CA ARG B 97 -13.997 22.065 -23.424 1.00 0.00 C ATOM 1199 C ARG B 97 -14.826 22.710 -22.318 1.00 0.00 C ATOM 1200 O ARG B 97 -15.030 23.925 -22.308 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.112 22.888 -24.709 1.00 0.00 C ATOM 1202 CG ARG B 97 -13.354 24.204 -24.658 1.00 0.00 C ATOM 1203 CD ARG B 97 -12.942 24.663 -26.048 1.00 0.00 C ATOM 1204 NE ARG B 97 -12.393 26.016 -26.037 1.00 0.00 N ATOM 1205 CZ ARG B 97 -12.230 26.752 -27.131 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -12.574 26.268 -28.317 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -11.724 27.976 -27.040 1.00 0.00 N ATOM 0 H ARG B 97 -13.674 20.004 -23.633 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.954 22.043 -23.107 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -13.739 22.296 -25.545 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.164 23.092 -24.907 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.978 24.967 -24.192 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.468 24.091 -24.033 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -12.200 23.974 -26.452 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -13.805 24.628 -26.712 1.00 0.00 H new ATOM 0 HE ARG B 97 -12.120 26.418 -25.140 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -12.965 25.329 -28.391 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -12.448 26.835 -29.155 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -11.460 28.352 -26.129 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -11.599 28.540 -27.881 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.303 21.889 -21.388 1.00 0.00 N ATOM 1222 CA LEU B 98 -16.111 22.379 -20.277 1.00 0.00 C ATOM 1223 C LEU B 98 -17.261 23.246 -20.781 1.00 0.00 C ATOM 1224 O LEU B 98 -18.269 23.417 -20.096 1.00 0.00 O ATOM 1225 CB LEU B 98 -15.244 23.178 -19.303 1.00 0.00 C ATOM 1226 CG LEU B 98 -15.950 23.706 -18.053 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -14.985 23.762 -16.879 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -16.549 25.080 -18.320 1.00 0.00 C ATOM 0 H LEU B 98 -15.144 20.881 -21.382 1.00 0.00 H new ATOM 0 HA LEU B 98 -16.530 21.517 -19.757 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -14.412 22.548 -18.987 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -14.816 24.025 -19.839 1.00 0.00 H new ATOM 0 HG LEU B 98 -16.759 23.022 -17.799 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -15.505 24.140 -15.999 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -14.603 22.762 -16.674 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -14.154 24.424 -17.122 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -17.047 25.441 -17.420 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -15.757 25.774 -18.599 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -17.273 25.010 -19.132 1.00 0.00 H new TER 1240 LEU B 98