USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=10 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= -3.59! C(o=-3.6!,f=-11!) USER MOD Single : A 66 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.07) USER MOD Single : A 67 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.857 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -35:sc= -2.21! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : B 66 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.32) USER MOD Single : B 67 HIS : no HD1:sc=-0.00383 X(o=-0.0038,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0.12 USER MOD Single : B 74 THR OG1 : rot -160:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -36:sc= -2.52! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 -10.608 -6.567 -19.735 1.00 0.00 N ATOM 2 CA ARG A 61 -9.180 -6.587 -20.028 1.00 0.00 C ATOM 3 C ARG A 61 -8.422 -5.638 -19.105 1.00 0.00 C ATOM 4 O ARG A 61 -8.173 -4.483 -19.453 1.00 0.00 O ATOM 5 CB ARG A 61 -8.931 -6.202 -21.488 1.00 0.00 C ATOM 6 CG ARG A 61 -7.631 -6.753 -22.050 1.00 0.00 C ATOM 7 CD ARG A 61 -7.744 -8.237 -22.361 1.00 0.00 C ATOM 8 NE ARG A 61 -6.830 -8.645 -23.425 1.00 0.00 N ATOM 9 CZ ARG A 61 -6.684 -9.902 -23.828 1.00 0.00 C ATOM 10 NH1 ARG A 61 -7.389 -10.870 -23.258 1.00 0.00 N ATOM 11 NH2 ARG A 61 -5.832 -10.194 -24.802 1.00 0.00 N ATOM 0 HA ARG A 61 -8.815 -7.600 -19.859 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.761 -6.561 -22.096 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.921 -5.115 -21.572 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.366 -6.209 -22.957 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.826 -6.590 -21.334 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.532 -8.813 -21.460 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.768 -8.469 -22.654 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.273 -7.924 -23.884 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.045 -10.650 -22.509 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.275 -11.835 -23.569 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.288 -9.452 -25.243 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.721 -11.160 -25.110 1.00 0.00 H new ATOM 25 N VAL A 62 -8.059 -6.132 -17.925 1.00 0.00 N ATOM 26 CA VAL A 62 -7.330 -5.328 -16.951 1.00 0.00 C ATOM 27 C VAL A 62 -6.011 -5.991 -16.569 1.00 0.00 C ATOM 28 O VAL A 62 -5.997 -7.035 -15.918 1.00 0.00 O ATOM 29 CB VAL A 62 -8.164 -5.097 -15.677 1.00 0.00 C ATOM 30 CG1 VAL A 62 -7.425 -4.180 -14.714 1.00 0.00 C ATOM 31 CG2 VAL A 62 -9.528 -4.524 -16.031 1.00 0.00 C ATOM 0 H VAL A 62 -8.258 -7.085 -17.621 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.127 -4.366 -17.422 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.315 -6.057 -15.183 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.030 -4.028 -13.820 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.474 -4.634 -14.436 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.241 -3.219 -15.195 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.104 -4.367 -15.119 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.400 -3.573 -16.548 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.058 -5.221 -16.680 1.00 0.00 H new ATOM 41 N GLN A 63 -4.906 -5.376 -16.978 1.00 0.00 N ATOM 42 CA GLN A 63 -3.582 -5.908 -16.678 1.00 0.00 C ATOM 43 C GLN A 63 -3.123 -5.474 -15.290 1.00 0.00 C ATOM 44 O GLN A 63 -3.818 -4.727 -14.600 1.00 0.00 O ATOM 45 CB GLN A 63 -2.573 -5.443 -17.730 1.00 0.00 C ATOM 46 CG GLN A 63 -2.137 -6.545 -18.683 1.00 0.00 C ATOM 47 CD GLN A 63 -1.596 -7.762 -17.959 1.00 0.00 C ATOM 48 OE1 GLN A 63 -1.060 -7.656 -16.855 1.00 0.00 O ATOM 49 NE2 GLN A 63 -1.733 -8.929 -18.578 1.00 0.00 N ATOM 0 H GLN A 63 -4.901 -4.510 -17.517 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.642 -6.996 -16.697 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.011 -4.628 -18.306 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.694 -5.041 -17.226 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.984 -6.842 -19.301 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.372 -6.157 -19.355 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.184 -8.972 -19.492 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.388 -9.783 -18.139 1.00 0.00 H new ATOM 58 N LEU A 64 -1.949 -5.947 -14.886 1.00 0.00 N ATOM 59 CA LEU A 64 -1.396 -5.608 -13.579 1.00 0.00 C ATOM 60 C LEU A 64 0.111 -5.837 -13.549 1.00 0.00 C ATOM 61 O LEU A 64 0.729 -6.101 -14.580 1.00 0.00 O ATOM 62 CB LEU A 64 -2.072 -6.440 -12.487 1.00 0.00 C ATOM 63 CG LEU A 64 -1.794 -7.943 -12.520 1.00 0.00 C ATOM 64 CD1 LEU A 64 -1.991 -8.553 -11.140 1.00 0.00 C ATOM 65 CD2 LEU A 64 -2.690 -8.629 -13.541 1.00 0.00 C ATOM 0 H LEU A 64 -1.362 -6.566 -15.444 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.587 -4.551 -13.394 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.758 -6.054 -11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.149 -6.288 -12.557 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.756 -8.095 -12.817 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.789 -9.623 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.307 -8.083 -10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.018 -8.391 -10.814 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.478 -9.698 -13.551 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.735 -8.468 -13.274 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.500 -8.212 -14.530 1.00 0.00 H new ATOM 77 N ALA A 65 0.697 -5.735 -12.360 1.00 0.00 N ATOM 78 CA ALA A 65 2.131 -5.935 -12.195 1.00 0.00 C ATOM 79 C ALA A 65 2.465 -6.368 -10.772 1.00 0.00 C ATOM 80 O ALA A 65 2.699 -7.548 -10.510 1.00 0.00 O ATOM 81 CB ALA A 65 2.886 -4.663 -12.553 1.00 0.00 C ATOM 0 H ALA A 65 0.200 -5.515 -11.497 1.00 0.00 H new ATOM 0 HA ALA A 65 2.442 -6.731 -12.871 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.956 -4.827 -12.425 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.681 -4.398 -13.590 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.563 -3.852 -11.900 1.00 0.00 H new ATOM 87 N HIS A 66 2.487 -5.405 -9.855 1.00 0.00 N ATOM 88 CA HIS A 66 2.793 -5.688 -8.457 1.00 0.00 C ATOM 89 C HIS A 66 4.024 -6.581 -8.340 1.00 0.00 C ATOM 90 O HIS A 66 3.910 -7.804 -8.246 1.00 0.00 O ATOM 91 CB HIS A 66 1.598 -6.355 -7.777 1.00 0.00 C ATOM 92 CG HIS A 66 1.897 -6.856 -6.397 1.00 0.00 C ATOM 93 ND1 HIS A 66 1.381 -8.032 -5.895 1.00 0.00 N ATOM 94 CD2 HIS A 66 2.665 -6.334 -5.413 1.00 0.00 C ATOM 95 CE1 HIS A 66 1.818 -8.211 -4.661 1.00 0.00 C ATOM 96 NE2 HIS A 66 2.600 -7.194 -4.345 1.00 0.00 N ATOM 0 H HIS A 66 2.297 -4.423 -10.055 1.00 0.00 H new ATOM 0 HA HIS A 66 3.004 -4.742 -7.958 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.775 -5.642 -7.725 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.259 -7.189 -8.392 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.225 -5.412 -5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.577 -9.046 -4.020 1.00 0.00 H new ATOM 0 HE2 HIS A 66 3.078 -7.068 -3.453 1.00 0.00 H new ATOM 104 N HIS A 67 5.201 -5.963 -8.348 1.00 0.00 N ATOM 105 CA HIS A 67 6.454 -6.703 -8.243 1.00 0.00 C ATOM 106 C HIS A 67 7.645 -5.751 -8.196 1.00 0.00 C ATOM 107 O HIS A 67 7.794 -4.884 -9.057 1.00 0.00 O ATOM 108 CB HIS A 67 6.602 -7.666 -9.421 1.00 0.00 C ATOM 109 CG HIS A 67 6.987 -9.055 -9.015 1.00 0.00 C ATOM 110 ND1 HIS A 67 7.997 -9.766 -9.627 1.00 0.00 N ATOM 111 CD2 HIS A 67 6.491 -9.864 -8.049 1.00 0.00 C ATOM 112 CE1 HIS A 67 8.105 -10.953 -9.057 1.00 0.00 C ATOM 113 NE2 HIS A 67 7.203 -11.038 -8.096 1.00 0.00 N ATOM 0 H HIS A 67 5.313 -4.952 -8.426 1.00 0.00 H new ATOM 0 HA HIS A 67 6.433 -7.276 -7.316 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.660 -7.704 -9.969 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.354 -7.275 -10.107 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.686 -9.630 -7.368 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.811 -11.723 -9.330 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.059 -11.844 -7.488 1.00 0.00 H new ATOM 121 N PHE A 68 8.490 -5.917 -7.184 1.00 0.00 N ATOM 122 CA PHE A 68 9.667 -5.071 -7.024 1.00 0.00 C ATOM 123 C PHE A 68 10.567 -5.154 -8.252 1.00 0.00 C ATOM 124 O PHE A 68 10.490 -6.106 -9.029 1.00 0.00 O ATOM 125 CB PHE A 68 10.450 -5.482 -5.775 1.00 0.00 C ATOM 126 CG PHE A 68 10.609 -6.968 -5.629 1.00 0.00 C ATOM 127 CD1 PHE A 68 11.304 -7.700 -6.578 1.00 0.00 C ATOM 128 CD2 PHE A 68 10.063 -7.634 -4.543 1.00 0.00 C ATOM 129 CE1 PHE A 68 11.453 -9.068 -6.446 1.00 0.00 C ATOM 130 CE2 PHE A 68 10.209 -9.001 -4.406 1.00 0.00 C ATOM 131 CZ PHE A 68 10.904 -9.719 -5.359 1.00 0.00 C ATOM 0 H PHE A 68 8.382 -6.630 -6.462 1.00 0.00 H new ATOM 0 HA PHE A 68 9.331 -4.040 -6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.437 -5.020 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.943 -5.091 -4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.734 -7.196 -7.431 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.517 -7.078 -3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.998 -9.627 -7.192 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.780 -9.508 -3.554 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.018 -10.788 -5.254 1.00 0.00 H new ATOM 141 N SER A 69 11.421 -4.149 -8.421 1.00 0.00 N ATOM 142 CA SER A 69 12.334 -4.105 -9.558 1.00 0.00 C ATOM 143 C SER A 69 11.568 -3.914 -10.863 1.00 0.00 C ATOM 144 O SER A 69 10.424 -4.347 -10.992 1.00 0.00 O ATOM 145 CB SER A 69 13.163 -5.390 -9.623 1.00 0.00 C ATOM 146 OG SER A 69 13.205 -5.902 -10.944 1.00 0.00 O ATOM 0 H SER A 69 11.500 -3.355 -7.786 1.00 0.00 H new ATOM 0 HA SER A 69 13.003 -3.255 -9.423 1.00 0.00 H new ATOM 0 HB2 SER A 69 14.176 -5.191 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.736 -6.137 -8.953 1.00 0.00 H new ATOM 0 HG SER A 69 13.741 -6.722 -10.960 1.00 0.00 H new ATOM 152 N GLU A 70 12.209 -3.261 -11.828 1.00 0.00 N ATOM 153 CA GLU A 70 11.588 -3.011 -13.123 1.00 0.00 C ATOM 154 C GLU A 70 12.646 -2.769 -14.196 1.00 0.00 C ATOM 155 O GLU A 70 12.872 -1.643 -14.638 1.00 0.00 O ATOM 156 CB GLU A 70 10.647 -1.807 -13.039 1.00 0.00 C ATOM 157 CG GLU A 70 9.276 -2.145 -12.477 1.00 0.00 C ATOM 158 CD GLU A 70 8.277 -1.020 -12.663 1.00 0.00 C ATOM 159 OE1 GLU A 70 7.722 -0.897 -13.775 1.00 0.00 O ATOM 160 OE2 GLU A 70 8.049 -0.263 -11.696 1.00 0.00 O ATOM 0 H GLU A 70 13.157 -2.896 -11.737 1.00 0.00 H new ATOM 0 HA GLU A 70 11.012 -3.895 -13.397 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.107 -1.040 -12.416 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.527 -1.380 -14.035 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.899 -3.045 -12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.369 -2.372 -11.415 1.00 0.00 H new ATOM 167 N PRO A 71 13.310 -3.853 -14.626 1.00 0.00 N ATOM 168 CA PRO A 71 14.355 -3.785 -15.652 1.00 0.00 C ATOM 169 C PRO A 71 13.792 -3.461 -17.032 1.00 0.00 C ATOM 170 O PRO A 71 14.455 -2.823 -17.848 1.00 0.00 O ATOM 171 CB PRO A 71 14.958 -5.192 -15.637 1.00 0.00 C ATOM 172 CG PRO A 71 13.868 -6.066 -15.121 1.00 0.00 C ATOM 173 CD PRO A 71 13.092 -5.227 -14.144 1.00 0.00 C ATOM 0 HA PRO A 71 15.077 -2.995 -15.447 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.272 -5.499 -16.635 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.839 -5.238 -14.997 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.228 -6.412 -15.933 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.276 -6.953 -14.636 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.034 -5.489 -14.141 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.455 -5.358 -13.125 1.00 0.00 H new ATOM 181 N GLU A 72 12.564 -3.906 -17.285 1.00 0.00 N ATOM 182 CA GLU A 72 11.914 -3.663 -18.567 1.00 0.00 C ATOM 183 C GLU A 72 11.376 -2.237 -18.642 1.00 0.00 C ATOM 184 O GLU A 72 10.217 -2.017 -18.994 1.00 0.00 O ATOM 185 CB GLU A 72 10.774 -4.661 -18.783 1.00 0.00 C ATOM 186 CG GLU A 72 11.180 -6.107 -18.553 1.00 0.00 C ATOM 187 CD GLU A 72 12.497 -6.457 -19.220 1.00 0.00 C ATOM 188 OE1 GLU A 72 13.553 -6.041 -18.700 1.00 0.00 O ATOM 189 OE2 GLU A 72 12.470 -7.144 -20.262 1.00 0.00 O ATOM 0 H GLU A 72 12.001 -4.436 -16.620 1.00 0.00 H new ATOM 0 HA GLU A 72 12.657 -3.795 -19.353 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.952 -4.412 -18.112 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.398 -4.555 -19.801 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.259 -6.292 -17.482 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.398 -6.765 -18.933 1.00 0.00 H new ATOM 196 N ILE A 73 12.227 -1.272 -18.309 1.00 0.00 N ATOM 197 CA ILE A 73 11.838 0.133 -18.340 1.00 0.00 C ATOM 198 C ILE A 73 11.475 0.572 -19.754 1.00 0.00 C ATOM 199 O ILE A 73 10.328 0.926 -20.032 1.00 0.00 O ATOM 200 CB ILE A 73 12.962 1.040 -17.805 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.414 0.568 -16.422 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.494 2.487 -17.751 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.543 1.390 -15.842 1.00 0.00 C ATOM 0 H ILE A 73 13.190 -1.437 -18.015 1.00 0.00 H new ATOM 0 HA ILE A 73 10.964 0.233 -17.696 1.00 0.00 H new ATOM 0 HB ILE A 73 13.812 0.979 -18.484 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.564 0.601 -15.740 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.730 -0.473 -16.488 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.299 3.116 -17.371 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.217 2.817 -18.752 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.630 2.566 -17.091 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.811 0.998 -14.861 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.408 1.337 -16.503 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.224 2.428 -15.744 1.00 0.00 H new ATOM 215 N THR A 74 12.459 0.545 -20.648 1.00 0.00 N ATOM 216 CA THR A 74 12.244 0.940 -22.034 1.00 0.00 C ATOM 217 C THR A 74 11.001 0.271 -22.610 1.00 0.00 C ATOM 218 O THR A 74 10.236 0.892 -23.349 1.00 0.00 O ATOM 219 CB THR A 74 13.458 0.585 -22.914 1.00 0.00 C ATOM 220 OG1 THR A 74 14.645 1.175 -22.372 1.00 0.00 O ATOM 221 CG2 THR A 74 13.252 1.069 -24.341 1.00 0.00 C ATOM 0 H THR A 74 13.413 0.253 -20.436 1.00 0.00 H new ATOM 0 HA THR A 74 12.106 2.021 -22.037 1.00 0.00 H new ATOM 0 HB THR A 74 13.565 -0.500 -22.927 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.412 0.943 -22.936 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.122 0.807 -24.943 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.364 0.596 -24.761 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.122 2.151 -24.343 1.00 0.00 H new ATOM 229 N LEU A 75 10.805 -0.997 -22.267 1.00 0.00 N ATOM 230 CA LEU A 75 9.653 -1.751 -22.749 1.00 0.00 C ATOM 231 C LEU A 75 8.349 -1.057 -22.367 1.00 0.00 C ATOM 232 O LEU A 75 7.504 -0.789 -23.221 1.00 0.00 O ATOM 233 CB LEU A 75 9.673 -3.171 -22.181 1.00 0.00 C ATOM 234 CG LEU A 75 10.649 -4.144 -22.843 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.558 -5.516 -22.193 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.375 -4.241 -24.337 1.00 0.00 C ATOM 0 H LEU A 75 11.429 -1.525 -21.657 1.00 0.00 H new ATOM 0 HA LEU A 75 9.712 -1.800 -23.836 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.913 -3.113 -21.119 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.668 -3.586 -22.259 1.00 0.00 H new ATOM 0 HG LEU A 75 11.661 -3.764 -22.703 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.260 -6.195 -22.677 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.804 -5.434 -21.134 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.545 -5.903 -22.301 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.079 -4.938 -24.792 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.357 -4.597 -24.498 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.492 -3.258 -24.793 1.00 0.00 H new ATOM 248 N ILE A 76 8.195 -0.767 -21.079 1.00 0.00 N ATOM 249 CA ILE A 76 6.996 -0.101 -20.585 1.00 0.00 C ATOM 250 C ILE A 76 6.760 1.217 -21.314 1.00 0.00 C ATOM 251 O ILE A 76 5.637 1.522 -21.717 1.00 0.00 O ATOM 252 CB ILE A 76 7.087 0.172 -19.072 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.161 -1.146 -18.298 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.896 0.998 -18.610 1.00 0.00 C ATOM 255 CD1 ILE A 76 5.978 -2.056 -18.540 1.00 0.00 C ATOM 0 H ILE A 76 8.885 -0.983 -20.359 1.00 0.00 H new ATOM 0 HA ILE A 76 6.160 -0.774 -20.775 1.00 0.00 H new ATOM 0 HB ILE A 76 7.996 0.740 -18.874 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.075 -1.670 -18.576 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.230 -0.929 -17.232 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.975 1.183 -17.539 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.885 1.949 -19.142 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.974 0.455 -18.818 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.098 -2.971 -17.960 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.062 -1.550 -18.235 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.920 -2.304 -19.600 1.00 0.00 H new ATOM 267 N ILE A 77 7.825 1.994 -21.482 1.00 0.00 N ATOM 268 CA ILE A 77 7.733 3.278 -22.166 1.00 0.00 C ATOM 269 C ILE A 77 7.298 3.099 -23.617 1.00 0.00 C ATOM 270 O ILE A 77 6.378 3.767 -24.087 1.00 0.00 O ATOM 271 CB ILE A 77 9.076 4.030 -22.134 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.457 4.377 -20.693 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.999 5.289 -22.985 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.577 5.440 -20.075 1.00 0.00 C ATOM 0 H ILE A 77 8.761 1.757 -21.154 1.00 0.00 H new ATOM 0 HA ILE A 77 6.984 3.865 -21.635 1.00 0.00 H new ATOM 0 HB ILE A 77 9.848 3.382 -22.548 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.404 3.474 -20.084 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.493 4.716 -20.671 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.956 5.810 -22.952 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.768 5.018 -24.015 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.217 5.942 -22.598 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.905 5.635 -19.054 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.648 6.357 -20.660 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.543 5.095 -20.065 1.00 0.00 H new ATOM 286 N PHE A 78 7.965 2.190 -24.320 1.00 0.00 N ATOM 287 CA PHE A 78 7.647 1.921 -25.718 1.00 0.00 C ATOM 288 C PHE A 78 6.173 1.562 -25.881 1.00 0.00 C ATOM 289 O PHE A 78 5.491 2.081 -26.764 1.00 0.00 O ATOM 290 CB PHE A 78 8.522 0.785 -26.253 1.00 0.00 C ATOM 291 CG PHE A 78 8.117 0.308 -27.618 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.584 0.944 -28.756 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.268 -0.778 -27.762 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.211 0.507 -30.013 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.893 -1.220 -29.017 1.00 0.00 C ATOM 296 CZ PHE A 78 7.366 -0.577 -30.144 1.00 0.00 C ATOM 0 H PHE A 78 8.729 1.627 -23.945 1.00 0.00 H new ATOM 0 HA PHE A 78 7.848 2.826 -26.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.558 1.121 -26.287 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.481 -0.053 -25.557 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.247 1.791 -28.660 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.895 -1.285 -26.884 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.580 1.013 -30.893 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.231 -2.067 -29.116 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.076 -0.921 -31.126 1.00 0.00 H new ATOM 306 N GLY A 79 5.688 0.670 -25.023 1.00 0.00 N ATOM 307 CA GLY A 79 4.299 0.256 -25.088 1.00 0.00 C ATOM 308 C GLY A 79 3.340 1.425 -24.975 1.00 0.00 C ATOM 309 O GLY A 79 2.472 1.610 -25.829 1.00 0.00 O ATOM 0 H GLY A 79 6.233 0.226 -24.284 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.122 -0.266 -26.029 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.097 -0.455 -24.287 1.00 0.00 H new ATOM 313 N VAL A 80 3.494 2.215 -23.918 1.00 0.00 N ATOM 314 CA VAL A 80 2.634 3.371 -23.696 1.00 0.00 C ATOM 315 C VAL A 80 2.787 4.393 -24.817 1.00 0.00 C ATOM 316 O VAL A 80 1.825 5.060 -25.198 1.00 0.00 O ATOM 317 CB VAL A 80 2.946 4.052 -22.350 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.992 5.211 -22.104 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.876 3.043 -21.214 1.00 0.00 C ATOM 0 H VAL A 80 4.207 2.076 -23.202 1.00 0.00 H new ATOM 0 HA VAL A 80 1.608 3.004 -23.680 1.00 0.00 H new ATOM 0 HB VAL A 80 3.960 4.450 -22.390 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.228 5.680 -21.149 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.097 5.944 -22.904 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.967 4.841 -22.083 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.099 3.541 -20.271 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.875 2.614 -21.170 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.604 2.250 -21.386 1.00 0.00 H new ATOM 329 N MET A 81 4.003 4.511 -25.341 1.00 0.00 N ATOM 330 CA MET A 81 4.281 5.451 -26.421 1.00 0.00 C ATOM 331 C MET A 81 3.542 5.051 -27.694 1.00 0.00 C ATOM 332 O MET A 81 2.913 5.884 -28.346 1.00 0.00 O ATOM 333 CB MET A 81 5.785 5.520 -26.691 1.00 0.00 C ATOM 334 CG MET A 81 6.549 6.346 -25.668 1.00 0.00 C ATOM 335 SD MET A 81 6.526 8.109 -26.044 1.00 0.00 S ATOM 336 CE MET A 81 8.238 8.381 -26.495 1.00 0.00 C ATOM 0 H MET A 81 4.811 3.968 -25.036 1.00 0.00 H new ATOM 0 HA MET A 81 3.929 6.435 -26.112 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.190 4.508 -26.705 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.949 5.942 -27.682 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.118 6.183 -24.680 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.582 6.001 -25.626 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.384 9.429 -26.755 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.881 8.123 -25.654 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.492 7.756 -27.351 1.00 0.00 H new ATOM 346 N ALA A 82 3.622 3.771 -28.043 1.00 0.00 N ATOM 347 CA ALA A 82 2.960 3.261 -29.237 1.00 0.00 C ATOM 348 C ALA A 82 1.443 3.339 -29.098 1.00 0.00 C ATOM 349 O ALA A 82 0.748 3.776 -30.015 1.00 0.00 O ATOM 350 CB ALA A 82 3.394 1.828 -29.510 1.00 0.00 C ATOM 0 H ALA A 82 4.139 3.068 -27.515 1.00 0.00 H new ATOM 0 HA ALA A 82 3.255 3.885 -30.081 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.892 1.460 -30.405 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.473 1.797 -29.661 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.128 1.199 -28.660 1.00 0.00 H new ATOM 356 N GLY A 83 0.936 2.912 -27.946 1.00 0.00 N ATOM 357 CA GLY A 83 -0.496 2.941 -27.710 1.00 0.00 C ATOM 358 C GLY A 83 -1.063 4.346 -27.757 1.00 0.00 C ATOM 359 O GLY A 83 -2.038 4.607 -28.461 1.00 0.00 O ATOM 0 H GLY A 83 1.491 2.547 -27.172 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.997 2.325 -28.457 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.710 2.499 -26.737 1.00 0.00 H new ATOM 363 N VAL A 84 -0.451 5.255 -27.003 1.00 0.00 N ATOM 364 CA VAL A 84 -0.901 6.641 -26.961 1.00 0.00 C ATOM 365 C VAL A 84 -0.980 7.236 -28.363 1.00 0.00 C ATOM 366 O VAL A 84 -2.037 7.698 -28.793 1.00 0.00 O ATOM 367 CB VAL A 84 0.035 7.509 -26.099 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.270 8.985 -26.299 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.085 7.125 -24.632 1.00 0.00 C ATOM 0 H VAL A 84 0.357 5.056 -26.414 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.895 6.638 -26.514 1.00 0.00 H new ATOM 0 HB VAL A 84 1.063 7.330 -26.415 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.401 9.582 -25.682 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.128 9.247 -27.348 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.302 9.186 -26.011 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.583 7.748 -24.037 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.112 7.274 -24.300 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.188 6.077 -24.507 1.00 0.00 H new ATOM 379 N ILE A 85 0.145 7.221 -29.070 1.00 0.00 N ATOM 380 CA ILE A 85 0.203 7.757 -30.424 1.00 0.00 C ATOM 381 C ILE A 85 -0.841 7.100 -31.321 1.00 0.00 C ATOM 382 O ILE A 85 -1.490 7.765 -32.126 1.00 0.00 O ATOM 383 CB ILE A 85 1.597 7.561 -31.048 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.655 8.307 -30.233 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.602 8.037 -32.493 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.489 9.810 -30.259 1.00 0.00 C ATOM 0 H ILE A 85 1.028 6.843 -28.727 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.006 8.824 -30.350 1.00 0.00 H new ATOM 0 HB ILE A 85 1.838 6.498 -31.035 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.615 7.963 -29.199 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.643 8.052 -30.616 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.594 7.892 -32.920 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.873 7.465 -33.067 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.343 9.095 -32.528 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.273 10.273 -29.660 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.559 10.166 -31.287 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.515 10.076 -29.849 1.00 0.00 H new ATOM 398 N GLY A 86 -0.998 5.788 -31.173 1.00 0.00 N ATOM 399 CA GLY A 86 -1.965 5.062 -31.975 1.00 0.00 C ATOM 400 C GLY A 86 -3.377 5.583 -31.793 1.00 0.00 C ATOM 401 O GLY A 86 -4.064 5.892 -32.768 1.00 0.00 O ATOM 0 H GLY A 86 -0.473 5.215 -30.512 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.687 5.134 -33.027 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.934 4.006 -31.708 1.00 0.00 H new ATOM 405 N THR A 87 -3.814 5.681 -30.541 1.00 0.00 N ATOM 406 CA THR A 87 -5.153 6.165 -30.235 1.00 0.00 C ATOM 407 C THR A 87 -5.381 7.556 -30.815 1.00 0.00 C ATOM 408 O THR A 87 -6.435 7.835 -31.388 1.00 0.00 O ATOM 409 CB THR A 87 -5.401 6.209 -28.715 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.775 5.086 -28.085 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.891 6.203 -28.409 1.00 0.00 C ATOM 0 H THR A 87 -3.259 5.431 -29.723 1.00 0.00 H new ATOM 0 HA THR A 87 -5.853 5.465 -30.690 1.00 0.00 H new ATOM 0 HB THR A 87 -4.970 7.131 -28.325 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.827 4.307 -28.678 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.041 6.234 -27.330 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.360 7.074 -28.866 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.341 5.296 -28.812 1.00 0.00 H new ATOM 419 N ILE A 88 -4.388 8.425 -30.664 1.00 0.00 N ATOM 420 CA ILE A 88 -4.480 9.787 -31.175 1.00 0.00 C ATOM 421 C ILE A 88 -4.796 9.794 -32.667 1.00 0.00 C ATOM 422 O ILE A 88 -5.727 10.466 -33.113 1.00 0.00 O ATOM 423 CB ILE A 88 -3.175 10.569 -30.934 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.861 10.631 -29.438 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.282 11.970 -31.517 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.396 10.857 -29.137 1.00 0.00 C ATOM 0 H ILE A 88 -3.510 8.210 -30.192 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.290 10.273 -30.632 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.359 10.049 -31.436 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.444 11.433 -28.985 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.181 9.700 -28.969 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.352 12.510 -31.339 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.464 11.905 -32.590 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.107 12.500 -31.041 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.247 10.890 -28.058 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.808 10.042 -29.560 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.076 11.802 -29.576 1.00 0.00 H new ATOM 438 N LEU A 89 -4.015 9.041 -33.434 1.00 0.00 N ATOM 439 CA LEU A 89 -4.212 8.958 -34.877 1.00 0.00 C ATOM 440 C LEU A 89 -5.629 8.501 -35.208 1.00 0.00 C ATOM 441 O LEU A 89 -6.342 9.155 -35.971 1.00 0.00 O ATOM 442 CB LEU A 89 -3.196 7.997 -35.496 1.00 0.00 C ATOM 443 CG LEU A 89 -1.768 8.527 -35.634 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.788 7.378 -35.815 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.671 9.502 -36.798 1.00 0.00 C ATOM 0 H LEU A 89 -3.240 8.480 -33.081 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.064 9.953 -35.297 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.169 7.090 -34.892 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.553 7.710 -36.485 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.508 9.059 -34.719 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.223 7.774 -35.912 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.838 6.717 -34.949 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.046 6.818 -36.714 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.648 9.869 -36.881 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.951 8.995 -37.722 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.345 10.342 -36.626 1.00 0.00 H new ATOM 457 N LEU A 90 -6.033 7.376 -34.628 1.00 0.00 N ATOM 458 CA LEU A 90 -7.366 6.832 -34.859 1.00 0.00 C ATOM 459 C LEU A 90 -8.441 7.846 -34.482 1.00 0.00 C ATOM 460 O LEU A 90 -9.355 8.115 -35.261 1.00 0.00 O ATOM 461 CB LEU A 90 -7.559 5.544 -34.056 1.00 0.00 C ATOM 462 CG LEU A 90 -6.836 4.306 -34.589 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.372 3.424 -33.441 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.739 3.526 -35.533 1.00 0.00 C ATOM 0 H LEU A 90 -5.456 6.823 -33.994 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.461 6.608 -35.922 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.225 5.723 -33.034 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.626 5.325 -34.009 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.958 4.633 -35.146 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.860 2.548 -33.839 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.689 3.986 -32.804 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.234 3.105 -32.856 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.208 2.649 -35.902 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.636 3.210 -35.000 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.021 4.160 -36.374 1.00 0.00 H new ATOM 476 N ILE A 91 -8.324 8.405 -33.282 1.00 0.00 N ATOM 477 CA ILE A 91 -9.284 9.392 -32.803 1.00 0.00 C ATOM 478 C ILE A 91 -9.400 10.563 -33.774 1.00 0.00 C ATOM 479 O ILE A 91 -10.496 10.916 -34.208 1.00 0.00 O ATOM 480 CB ILE A 91 -8.894 9.929 -31.413 1.00 0.00 C ATOM 481 CG1 ILE A 91 -8.974 8.812 -30.370 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.793 11.092 -31.023 1.00 0.00 C ATOM 483 CD1 ILE A 91 -8.112 9.060 -29.153 1.00 0.00 C ATOM 0 H ILE A 91 -7.574 8.191 -32.624 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.247 8.886 -32.731 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.866 10.289 -31.454 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.010 8.695 -30.053 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.674 7.872 -30.833 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.505 11.460 -30.038 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.690 11.893 -31.755 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.830 10.757 -30.996 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.218 8.228 -28.456 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.069 9.147 -29.458 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.426 9.983 -28.666 1.00 0.00 H new ATOM 495 N SER A 92 -8.261 11.160 -34.111 1.00 0.00 N ATOM 496 CA SER A 92 -8.235 12.292 -35.029 1.00 0.00 C ATOM 497 C SER A 92 -8.946 11.950 -36.334 1.00 0.00 C ATOM 498 O SER A 92 -9.494 12.826 -37.004 1.00 0.00 O ATOM 499 CB SER A 92 -6.791 12.710 -35.315 1.00 0.00 C ATOM 500 OG SER A 92 -6.308 13.592 -34.317 1.00 0.00 O ATOM 0 H SER A 92 -7.345 10.878 -33.762 1.00 0.00 H new ATOM 0 HA SER A 92 -8.760 13.123 -34.558 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.156 11.826 -35.361 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.736 13.194 -36.290 1.00 0.00 H new ATOM 0 HG SER A 92 -5.383 13.843 -34.522 1.00 0.00 H new ATOM 506 N TYR A 93 -8.932 10.671 -36.690 1.00 0.00 N ATOM 507 CA TYR A 93 -9.573 10.211 -37.917 1.00 0.00 C ATOM 508 C TYR A 93 -11.092 10.243 -37.782 1.00 0.00 C ATOM 509 O TYR A 93 -11.805 10.548 -38.737 1.00 0.00 O ATOM 510 CB TYR A 93 -9.109 8.795 -38.259 1.00 0.00 C ATOM 511 CG TYR A 93 -8.180 8.733 -39.451 1.00 0.00 C ATOM 512 CD1 TYR A 93 -7.036 9.519 -39.506 1.00 0.00 C ATOM 513 CD2 TYR A 93 -8.447 7.888 -40.521 1.00 0.00 C ATOM 514 CE1 TYR A 93 -6.185 9.466 -40.593 1.00 0.00 C ATOM 515 CE2 TYR A 93 -7.601 7.828 -41.612 1.00 0.00 C ATOM 516 CZ TYR A 93 -6.471 8.619 -41.643 1.00 0.00 C ATOM 517 OH TYR A 93 -5.625 8.563 -42.727 1.00 0.00 O ATOM 0 H TYR A 93 -8.484 9.933 -36.147 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.284 10.885 -38.723 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.604 8.368 -37.393 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.982 8.173 -38.457 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.808 10.183 -38.685 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.331 7.268 -40.500 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.300 10.085 -40.620 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.823 7.166 -42.436 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.970 7.916 -43.378 1.00 0.00 H new ATOM 527 N GLY A 94 -11.581 9.925 -36.587 1.00 0.00 N ATOM 528 CA GLY A 94 -13.012 9.923 -36.347 1.00 0.00 C ATOM 529 C GLY A 94 -13.624 11.304 -36.478 1.00 0.00 C ATOM 530 O GLY A 94 -14.701 11.461 -37.054 1.00 0.00 O ATOM 0 H GLY A 94 -11.011 9.669 -35.781 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.495 9.247 -37.053 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.209 9.535 -35.348 1.00 0.00 H new ATOM 534 N ILE A 95 -12.937 12.306 -35.941 1.00 0.00 N ATOM 535 CA ILE A 95 -13.420 13.680 -36.000 1.00 0.00 C ATOM 536 C ILE A 95 -13.453 14.191 -37.436 1.00 0.00 C ATOM 537 O ILE A 95 -14.370 14.911 -37.829 1.00 0.00 O ATOM 538 CB ILE A 95 -12.544 14.622 -35.152 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.543 14.175 -33.689 1.00 0.00 C ATOM 540 CG2 ILE A 95 -13.037 16.056 -35.273 1.00 0.00 C ATOM 541 CD1 ILE A 95 -11.229 13.574 -33.241 1.00 0.00 C ATOM 0 H ILE A 95 -12.045 12.192 -35.460 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.432 13.675 -35.595 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.521 14.577 -35.526 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.776 15.031 -33.056 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -13.337 13.443 -33.541 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.408 16.709 -34.668 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.990 16.370 -36.316 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -14.067 16.117 -34.922 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.302 13.280 -32.194 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.003 12.698 -33.849 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.434 14.310 -33.357 1.00 0.00 H new ATOM 553 N ARG A 96 -12.446 13.810 -38.216 1.00 0.00 N ATOM 554 CA ARG A 96 -12.360 14.229 -39.610 1.00 0.00 C ATOM 555 C ARG A 96 -13.353 13.455 -40.473 1.00 0.00 C ATOM 556 O ARG A 96 -13.981 14.017 -41.369 1.00 0.00 O ATOM 557 CB ARG A 96 -10.939 14.023 -40.140 1.00 0.00 C ATOM 558 CG ARG A 96 -10.064 15.260 -40.031 1.00 0.00 C ATOM 559 CD ARG A 96 -8.612 14.945 -40.355 1.00 0.00 C ATOM 560 NE ARG A 96 -7.688 15.816 -39.633 1.00 0.00 N ATOM 561 CZ ARG A 96 -6.405 15.530 -39.441 1.00 0.00 C ATOM 562 NH1 ARG A 96 -5.897 14.401 -39.916 1.00 0.00 N ATOM 563 NH2 ARG A 96 -5.628 16.373 -38.774 1.00 0.00 N ATOM 0 H ARG A 96 -11.679 13.213 -37.907 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.610 15.289 -39.661 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.470 13.207 -39.590 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.991 13.716 -41.184 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.431 16.028 -40.711 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.133 15.668 -39.023 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.402 13.906 -40.103 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.448 15.053 -41.427 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.048 16.692 -39.255 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.492 13.751 -40.430 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.912 14.183 -39.768 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.015 17.243 -38.408 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.643 16.152 -38.628 1.00 0.00 H new ATOM 577 N ARG A 97 -13.488 12.162 -40.195 1.00 0.00 N ATOM 578 CA ARG A 97 -14.402 11.311 -40.946 1.00 0.00 C ATOM 579 C ARG A 97 -14.074 11.341 -42.436 1.00 0.00 C ATOM 580 O ARG A 97 -14.946 11.126 -43.279 1.00 0.00 O ATOM 581 CB ARG A 97 -15.848 11.757 -40.722 1.00 0.00 C ATOM 582 CG ARG A 97 -16.822 10.602 -40.550 1.00 0.00 C ATOM 583 CD ARG A 97 -17.452 10.203 -41.875 1.00 0.00 C ATOM 584 NE ARG A 97 -16.856 8.986 -42.419 1.00 0.00 N ATOM 585 CZ ARG A 97 -17.044 8.570 -43.667 1.00 0.00 C ATOM 586 NH1 ARG A 97 -17.806 9.270 -44.495 1.00 0.00 N ATOM 587 NH2 ARG A 97 -16.467 7.452 -44.089 1.00 0.00 N ATOM 0 H ARG A 97 -12.976 11.682 -39.455 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.284 10.289 -40.587 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.891 12.392 -39.837 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.166 12.367 -41.567 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.301 9.746 -40.121 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.603 10.885 -39.845 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.523 10.052 -41.737 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.335 11.016 -42.592 1.00 0.00 H new ATOM 0 HE ARG A 97 -16.263 8.425 -41.808 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.250 10.131 -44.175 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.948 8.948 -45.452 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.879 6.911 -43.455 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.612 7.134 -45.047 1.00 0.00 H new ATOM 601 N LEU A 98 -12.813 11.611 -42.753 1.00 0.00 N ATOM 602 CA LEU A 98 -12.369 11.671 -44.142 1.00 0.00 C ATOM 603 C LEU A 98 -12.126 10.271 -44.696 1.00 0.00 C ATOM 604 O LEU A 98 -13.069 9.638 -45.167 1.00 0.00 O ATOM 605 CB LEU A 98 -11.091 12.505 -44.254 1.00 0.00 C ATOM 606 CG LEU A 98 -10.506 12.651 -45.659 1.00 0.00 C ATOM 607 CD1 LEU A 98 -9.447 11.588 -45.908 1.00 0.00 C ATOM 608 CD2 LEU A 98 -11.606 12.566 -46.706 1.00 0.00 C ATOM 0 H LEU A 98 -12.079 11.792 -42.068 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.156 12.143 -44.730 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.296 13.501 -43.862 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.332 12.059 -43.611 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.034 13.631 -45.736 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.041 11.707 -46.913 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.645 11.695 -45.178 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.895 10.599 -45.812 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.171 12.672 -47.700 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.107 11.601 -46.630 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.329 13.364 -46.539 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 -4.671 -11.763 8.071 1.00 0.00 N ATOM 622 CA ARG B 61 -5.145 -11.533 6.712 1.00 0.00 C ATOM 623 C ARG B 61 -5.261 -12.848 5.947 1.00 0.00 C ATOM 624 O ARG B 61 -4.747 -13.879 6.382 1.00 0.00 O ATOM 625 CB ARG B 61 -4.201 -10.582 5.973 1.00 0.00 C ATOM 626 CG ARG B 61 -3.790 -9.372 6.796 1.00 0.00 C ATOM 627 CD ARG B 61 -4.996 -8.540 7.205 1.00 0.00 C ATOM 628 NE ARG B 61 -4.614 -7.374 7.995 1.00 0.00 N ATOM 629 CZ ARG B 61 -5.469 -6.430 8.374 1.00 0.00 C ATOM 630 NH1 ARG B 61 -6.748 -6.516 8.037 1.00 0.00 N ATOM 631 NH2 ARG B 61 -5.045 -5.399 9.093 1.00 0.00 N ATOM 0 HA ARG B 61 -6.134 -11.078 6.771 1.00 0.00 H new ATOM 0 HB2 ARG B 61 -3.307 -11.130 5.676 1.00 0.00 H new ATOM 0 HB3 ARG B 61 -4.685 -10.241 5.058 1.00 0.00 H new ATOM 0 HG2 ARG B 61 -3.255 -9.701 7.687 1.00 0.00 H new ATOM 0 HG3 ARG B 61 -3.100 -8.756 6.219 1.00 0.00 H new ATOM 0 HD2 ARG B 61 -5.531 -8.214 6.313 1.00 0.00 H new ATOM 0 HD3 ARG B 61 -5.684 -9.158 7.781 1.00 0.00 H new ATOM 0 HE ARG B 61 -3.637 -7.278 8.271 1.00 0.00 H new ATOM 0 HH11 ARG B 61 -7.078 -7.308 7.486 1.00 0.00 H new ATOM 0 HH12 ARG B 61 -7.402 -5.790 8.329 1.00 0.00 H new ATOM 0 HH21 ARG B 61 -4.062 -5.330 9.355 1.00 0.00 H new ATOM 0 HH22 ARG B 61 -5.702 -4.675 9.383 1.00 0.00 H new ATOM 645 N VAL B 62 -5.939 -12.804 4.804 1.00 0.00 N ATOM 646 CA VAL B 62 -6.122 -13.992 3.978 1.00 0.00 C ATOM 647 C VAL B 62 -4.866 -14.297 3.169 1.00 0.00 C ATOM 648 O VAL B 62 -4.378 -13.450 2.421 1.00 0.00 O ATOM 649 CB VAL B 62 -7.313 -13.828 3.015 1.00 0.00 C ATOM 650 CG1 VAL B 62 -7.137 -12.586 2.155 1.00 0.00 C ATOM 651 CG2 VAL B 62 -7.472 -15.068 2.149 1.00 0.00 C ATOM 0 H VAL B 62 -6.370 -11.959 4.429 1.00 0.00 H new ATOM 0 HA VAL B 62 -6.324 -14.821 4.656 1.00 0.00 H new ATOM 0 HB VAL B 62 -8.221 -13.706 3.605 1.00 0.00 H new ATOM 0 HG11 VAL B 62 -7.988 -12.487 1.481 1.00 0.00 H new ATOM 0 HG12 VAL B 62 -7.076 -11.706 2.795 1.00 0.00 H new ATOM 0 HG13 VAL B 62 -6.220 -12.674 1.572 1.00 0.00 H new ATOM 0 HG21 VAL B 62 -8.318 -14.935 1.475 1.00 0.00 H new ATOM 0 HG22 VAL B 62 -6.564 -15.223 1.566 1.00 0.00 H new ATOM 0 HG23 VAL B 62 -7.648 -15.936 2.785 1.00 0.00 H new ATOM 661 N GLN B 63 -4.350 -15.511 3.324 1.00 0.00 N ATOM 662 CA GLN B 63 -3.150 -15.928 2.607 1.00 0.00 C ATOM 663 C GLN B 63 -3.461 -16.201 1.139 1.00 0.00 C ATOM 664 O GLN B 63 -4.615 -16.132 0.714 1.00 0.00 O ATOM 665 CB GLN B 63 -2.551 -17.177 3.255 1.00 0.00 C ATOM 666 CG GLN B 63 -3.284 -18.460 2.895 1.00 0.00 C ATOM 667 CD GLN B 63 -3.160 -19.523 3.968 1.00 0.00 C ATOM 668 OE1 GLN B 63 -2.494 -20.541 3.776 1.00 0.00 O ATOM 669 NE2 GLN B 63 -3.803 -19.293 5.107 1.00 0.00 N ATOM 0 H GLN B 63 -4.743 -16.223 3.939 1.00 0.00 H new ATOM 0 HA GLN B 63 -2.424 -15.117 2.661 1.00 0.00 H new ATOM 0 HB2 GLN B 63 -1.507 -17.268 2.954 1.00 0.00 H new ATOM 0 HB3 GLN B 63 -2.561 -17.054 4.338 1.00 0.00 H new ATOM 0 HG2 GLN B 63 -4.338 -18.238 2.729 1.00 0.00 H new ATOM 0 HG3 GLN B 63 -2.889 -18.849 1.956 1.00 0.00 H new ATOM 0 HE21 GLN B 63 -4.343 -18.436 5.223 1.00 0.00 H new ATOM 0 HE22 GLN B 63 -3.756 -19.974 5.865 1.00 0.00 H new ATOM 678 N LEU B 64 -2.424 -16.509 0.368 1.00 0.00 N ATOM 679 CA LEU B 64 -2.586 -16.793 -1.054 1.00 0.00 C ATOM 680 C LEU B 64 -1.352 -17.494 -1.613 1.00 0.00 C ATOM 681 O LEU B 64 -0.465 -17.903 -0.864 1.00 0.00 O ATOM 682 CB LEU B 64 -2.844 -15.498 -1.826 1.00 0.00 C ATOM 683 CG LEU B 64 -1.660 -14.537 -1.940 1.00 0.00 C ATOM 684 CD1 LEU B 64 -1.816 -13.638 -3.156 1.00 0.00 C ATOM 685 CD2 LEU B 64 -1.525 -13.704 -0.673 1.00 0.00 C ATOM 0 H LEU B 64 -1.462 -16.568 0.703 1.00 0.00 H new ATOM 0 HA LEU B 64 -3.443 -17.456 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.173 -15.758 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -3.669 -14.971 -1.347 1.00 0.00 H new ATOM 0 HG LEU B 64 -0.751 -15.125 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.964 -12.961 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.862 -14.250 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.734 -13.058 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -0.677 -13.026 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -2.436 -13.126 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -1.365 -14.363 0.180 1.00 0.00 H new ATOM 697 N ALA B 65 -1.302 -17.629 -2.935 1.00 0.00 N ATOM 698 CA ALA B 65 -0.176 -18.277 -3.595 1.00 0.00 C ATOM 699 C ALA B 65 -0.170 -17.980 -5.090 1.00 0.00 C ATOM 700 O ALA B 65 0.129 -18.852 -5.906 1.00 0.00 O ATOM 701 CB ALA B 65 -0.215 -19.778 -3.353 1.00 0.00 C ATOM 0 H ALA B 65 -2.029 -17.298 -3.569 1.00 0.00 H new ATOM 0 HA ALA B 65 0.743 -17.875 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA B 65 0.632 -20.249 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -0.161 -19.975 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -1.144 -20.187 -3.751 1.00 0.00 H new ATOM 707 N HIS B 66 -0.504 -16.743 -5.444 1.00 0.00 N ATOM 708 CA HIS B 66 -0.538 -16.331 -6.843 1.00 0.00 C ATOM 709 C HIS B 66 0.870 -16.281 -7.429 1.00 0.00 C ATOM 710 O HIS B 66 1.856 -16.208 -6.696 1.00 0.00 O ATOM 711 CB HIS B 66 -1.207 -14.963 -6.978 1.00 0.00 C ATOM 712 CG HIS B 66 -2.284 -14.922 -8.019 1.00 0.00 C ATOM 713 ND1 HIS B 66 -3.248 -15.899 -8.142 1.00 0.00 N ATOM 714 CD2 HIS B 66 -2.545 -14.013 -8.987 1.00 0.00 C ATOM 715 CE1 HIS B 66 -4.056 -15.594 -9.142 1.00 0.00 C ATOM 716 NE2 HIS B 66 -3.651 -14.454 -9.672 1.00 0.00 N ATOM 0 H HIS B 66 -0.755 -16.009 -4.782 1.00 0.00 H new ATOM 0 HA HIS B 66 -1.118 -17.068 -7.399 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -1.633 -14.679 -6.015 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -0.448 -14.219 -7.223 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -1.988 -13.109 -9.184 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -4.903 -16.178 -9.470 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -4.088 -13.979 -10.461 1.00 0.00 H new ATOM 724 N HIS B 67 0.956 -16.323 -8.755 1.00 0.00 N ATOM 725 CA HIS B 67 2.243 -16.283 -9.439 1.00 0.00 C ATOM 726 C HIS B 67 2.055 -16.311 -10.953 1.00 0.00 C ATOM 727 O HIS B 67 2.729 -17.060 -11.659 1.00 0.00 O ATOM 728 CB HIS B 67 3.114 -17.460 -9.000 1.00 0.00 C ATOM 729 CG HIS B 67 4.560 -17.105 -8.832 1.00 0.00 C ATOM 730 ND1 HIS B 67 5.566 -17.668 -9.588 1.00 0.00 N ATOM 731 CD2 HIS B 67 5.165 -16.237 -7.988 1.00 0.00 C ATOM 732 CE1 HIS B 67 6.729 -17.163 -9.215 1.00 0.00 C ATOM 733 NE2 HIS B 67 6.513 -16.292 -8.246 1.00 0.00 N ATOM 0 H HIS B 67 0.150 -16.385 -9.377 1.00 0.00 H new ATOM 0 HA HIS B 67 2.741 -15.352 -9.170 1.00 0.00 H new ATOM 0 HB2 HIS B 67 2.733 -17.852 -8.057 1.00 0.00 H new ATOM 0 HB3 HIS B 67 3.028 -18.260 -9.736 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.679 -15.617 -7.250 1.00 0.00 H new ATOM 0 HE1 HIS B 67 7.692 -17.419 -9.632 1.00 0.00 H new ATOM 0 HE2 HIS B 67 7.231 -15.748 -7.767 1.00 0.00 H new ATOM 741 N PHE B 68 1.133 -15.489 -11.445 1.00 0.00 N ATOM 742 CA PHE B 68 0.854 -15.421 -12.875 1.00 0.00 C ATOM 743 C PHE B 68 2.142 -15.228 -13.671 1.00 0.00 C ATOM 744 O PHE B 68 3.131 -14.708 -13.155 1.00 0.00 O ATOM 745 CB PHE B 68 -0.120 -14.280 -13.173 1.00 0.00 C ATOM 746 CG PHE B 68 0.163 -13.031 -12.387 1.00 0.00 C ATOM 747 CD1 PHE B 68 1.339 -12.326 -12.581 1.00 0.00 C ATOM 748 CD2 PHE B 68 -0.749 -12.562 -11.455 1.00 0.00 C ATOM 749 CE1 PHE B 68 1.602 -11.176 -11.860 1.00 0.00 C ATOM 750 CE2 PHE B 68 -0.492 -11.413 -10.731 1.00 0.00 C ATOM 751 CZ PHE B 68 0.685 -10.720 -10.933 1.00 0.00 C ATOM 0 H PHE B 68 0.567 -14.861 -10.875 1.00 0.00 H new ATOM 0 HA PHE B 68 0.399 -16.364 -13.177 1.00 0.00 H new ATOM 0 HB2 PHE B 68 -0.080 -14.047 -14.237 1.00 0.00 H new ATOM 0 HB3 PHE B 68 -1.135 -14.613 -12.957 1.00 0.00 H new ATOM 0 HD1 PHE B 68 2.059 -12.679 -13.304 1.00 0.00 H new ATOM 0 HD2 PHE B 68 -1.671 -13.100 -11.293 1.00 0.00 H new ATOM 0 HE1 PHE B 68 2.523 -10.635 -12.021 1.00 0.00 H new ATOM 0 HE2 PHE B 68 -1.211 -11.058 -10.008 1.00 0.00 H new ATOM 0 HZ PHE B 68 0.888 -9.823 -10.367 1.00 0.00 H new ATOM 761 N SER B 69 2.120 -15.650 -14.931 1.00 0.00 N ATOM 762 CA SER B 69 3.286 -15.528 -15.798 1.00 0.00 C ATOM 763 C SER B 69 3.481 -14.082 -16.246 1.00 0.00 C ATOM 764 O SER B 69 2.514 -13.345 -16.436 1.00 0.00 O ATOM 765 CB SER B 69 3.137 -16.436 -17.020 1.00 0.00 C ATOM 766 OG SER B 69 1.870 -17.071 -17.032 1.00 0.00 O ATOM 0 H SER B 69 1.308 -16.079 -15.374 1.00 0.00 H new ATOM 0 HA SER B 69 4.164 -15.836 -15.230 1.00 0.00 H new ATOM 0 HB2 SER B 69 3.262 -15.849 -17.930 1.00 0.00 H new ATOM 0 HB3 SER B 69 3.925 -17.189 -17.016 1.00 0.00 H new ATOM 0 HG SER B 69 1.799 -17.644 -17.824 1.00 0.00 H new ATOM 772 N GLU B 70 4.739 -13.685 -16.412 1.00 0.00 N ATOM 773 CA GLU B 70 5.060 -12.327 -16.837 1.00 0.00 C ATOM 774 C GLU B 70 6.445 -12.271 -17.476 1.00 0.00 C ATOM 775 O GLU B 70 7.386 -11.697 -16.929 1.00 0.00 O ATOM 776 CB GLU B 70 4.997 -11.369 -15.646 1.00 0.00 C ATOM 777 CG GLU B 70 3.589 -10.906 -15.310 1.00 0.00 C ATOM 778 CD GLU B 70 3.570 -9.580 -14.575 1.00 0.00 C ATOM 779 OE1 GLU B 70 4.592 -8.863 -14.620 1.00 0.00 O ATOM 780 OE2 GLU B 70 2.535 -9.259 -13.956 1.00 0.00 O ATOM 0 H GLU B 70 5.551 -14.283 -16.259 1.00 0.00 H new ATOM 0 HA GLU B 70 4.323 -12.021 -17.580 1.00 0.00 H new ATOM 0 HB2 GLU B 70 5.427 -11.860 -14.773 1.00 0.00 H new ATOM 0 HB3 GLU B 70 5.616 -10.497 -15.859 1.00 0.00 H new ATOM 0 HG2 GLU B 70 3.011 -10.815 -16.230 1.00 0.00 H new ATOM 0 HG3 GLU B 70 3.098 -11.663 -14.698 1.00 0.00 H new ATOM 787 N PRO B 71 6.573 -12.883 -18.663 1.00 0.00 N ATOM 788 CA PRO B 71 7.837 -12.917 -19.404 1.00 0.00 C ATOM 789 C PRO B 71 8.223 -11.549 -19.956 1.00 0.00 C ATOM 790 O PRO B 71 9.358 -11.102 -19.794 1.00 0.00 O ATOM 791 CB PRO B 71 7.553 -13.894 -20.547 1.00 0.00 C ATOM 792 CG PRO B 71 6.077 -13.835 -20.737 1.00 0.00 C ATOM 793 CD PRO B 71 5.493 -13.587 -19.374 1.00 0.00 C ATOM 0 HA PRO B 71 8.673 -13.213 -18.770 1.00 0.00 H new ATOM 0 HB2 PRO B 71 8.081 -13.605 -21.456 1.00 0.00 H new ATOM 0 HB3 PRO B 71 7.880 -14.903 -20.296 1.00 0.00 H new ATOM 0 HG2 PRO B 71 5.804 -13.038 -21.429 1.00 0.00 H new ATOM 0 HG3 PRO B 71 5.700 -14.767 -21.159 1.00 0.00 H new ATOM 0 HD2 PRO B 71 4.587 -12.983 -19.429 1.00 0.00 H new ATOM 0 HD3 PRO B 71 5.225 -14.519 -18.876 1.00 0.00 H new ATOM 801 N GLU B 72 7.270 -10.889 -20.609 1.00 0.00 N ATOM 802 CA GLU B 72 7.512 -9.572 -21.185 1.00 0.00 C ATOM 803 C GLU B 72 6.255 -9.036 -21.864 1.00 0.00 C ATOM 804 O GLU B 72 5.945 -7.848 -21.771 1.00 0.00 O ATOM 805 CB GLU B 72 8.661 -9.635 -22.193 1.00 0.00 C ATOM 806 CG GLU B 72 9.723 -8.571 -21.973 1.00 0.00 C ATOM 807 CD GLU B 72 11.121 -9.152 -21.877 1.00 0.00 C ATOM 808 OE1 GLU B 72 11.375 -9.931 -20.934 1.00 0.00 O ATOM 809 OE2 GLU B 72 11.959 -8.828 -22.743 1.00 0.00 O ATOM 0 H GLU B 72 6.325 -11.245 -20.752 1.00 0.00 H new ATOM 0 HA GLU B 72 7.785 -8.894 -20.376 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.127 -10.619 -22.138 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.256 -9.530 -23.200 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.688 -7.853 -22.792 1.00 0.00 H new ATOM 0 HG3 GLU B 72 9.498 -8.022 -21.058 1.00 0.00 H new ATOM 816 N ILE B 73 5.535 -9.921 -22.546 1.00 0.00 N ATOM 817 CA ILE B 73 4.312 -9.537 -23.239 1.00 0.00 C ATOM 818 C ILE B 73 3.384 -8.748 -22.322 1.00 0.00 C ATOM 819 O ILE B 73 2.870 -7.694 -22.697 1.00 0.00 O ATOM 820 CB ILE B 73 3.559 -10.769 -23.776 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.456 -11.570 -24.722 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.281 -10.343 -24.483 1.00 0.00 C ATOM 823 CD1 ILE B 73 3.810 -12.835 -25.241 1.00 0.00 C ATOM 0 H ILE B 73 5.778 -10.908 -22.633 1.00 0.00 H new ATOM 0 HA ILE B 73 4.609 -8.908 -24.078 1.00 0.00 H new ATOM 0 HB ILE B 73 3.290 -11.407 -22.934 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.733 -10.940 -25.567 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.378 -11.830 -24.202 1.00 0.00 H new ATOM 0 HG21 ILE B 73 1.761 -11.225 -24.857 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.637 -9.812 -23.782 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.528 -9.687 -25.318 1.00 0.00 H new ATOM 0 HD11 ILE B 73 4.503 -13.351 -25.905 1.00 0.00 H new ATOM 0 HD12 ILE B 73 3.558 -13.485 -24.403 1.00 0.00 H new ATOM 0 HD13 ILE B 73 2.903 -12.582 -25.789 1.00 0.00 H new ATOM 835 N THR B 74 3.173 -9.266 -21.115 1.00 0.00 N ATOM 836 CA THR B 74 2.308 -8.610 -20.143 1.00 0.00 C ATOM 837 C THR B 74 2.669 -7.137 -19.991 1.00 0.00 C ATOM 838 O THR B 74 1.809 -6.261 -20.106 1.00 0.00 O ATOM 839 CB THR B 74 2.394 -9.292 -18.764 1.00 0.00 C ATOM 840 OG1 THR B 74 1.992 -10.663 -18.870 1.00 0.00 O ATOM 841 CG2 THR B 74 1.513 -8.577 -17.751 1.00 0.00 C ATOM 0 H THR B 74 3.590 -10.138 -20.788 1.00 0.00 H new ATOM 0 HA THR B 74 1.289 -8.695 -20.520 1.00 0.00 H new ATOM 0 HB THR B 74 3.428 -9.242 -18.422 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.743 -11.000 -17.984 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.590 -9.076 -16.785 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.840 -7.542 -17.651 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.477 -8.600 -18.090 1.00 0.00 H new ATOM 849 N LEU B 75 3.944 -6.868 -19.733 1.00 0.00 N ATOM 850 CA LEU B 75 4.419 -5.499 -19.567 1.00 0.00 C ATOM 851 C LEU B 75 4.078 -4.652 -20.789 1.00 0.00 C ATOM 852 O LEU B 75 3.528 -3.558 -20.663 1.00 0.00 O ATOM 853 CB LEU B 75 5.930 -5.488 -19.330 1.00 0.00 C ATOM 854 CG LEU B 75 6.404 -6.066 -17.996 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.920 -5.999 -17.894 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.757 -5.326 -16.834 1.00 0.00 C ATOM 0 H LEU B 75 4.668 -7.580 -19.634 1.00 0.00 H new ATOM 0 HA LEU B 75 3.918 -5.070 -18.699 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.408 -6.046 -20.135 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.282 -4.459 -19.403 1.00 0.00 H new ATOM 0 HG LEU B 75 6.103 -7.112 -17.948 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.239 -6.415 -16.938 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.365 -6.574 -18.706 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.244 -4.961 -17.964 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.106 -5.751 -15.893 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.028 -4.271 -16.879 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.673 -5.425 -16.897 1.00 0.00 H new ATOM 868 N ILE B 76 4.407 -5.166 -21.969 1.00 0.00 N ATOM 869 CA ILE B 76 4.133 -4.458 -23.213 1.00 0.00 C ATOM 870 C ILE B 76 2.649 -4.130 -23.343 1.00 0.00 C ATOM 871 O ILE B 76 2.280 -3.019 -23.725 1.00 0.00 O ATOM 872 CB ILE B 76 4.575 -5.280 -24.438 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.041 -5.694 -24.299 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.362 -4.483 -25.716 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.002 -4.526 -24.309 1.00 0.00 C ATOM 0 H ILE B 76 4.864 -6.070 -22.090 1.00 0.00 H new ATOM 0 HA ILE B 76 4.706 -3.531 -23.182 1.00 0.00 H new ATOM 0 HB ILE B 76 3.966 -6.182 -24.491 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.167 -6.250 -23.370 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.297 -6.372 -25.113 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.679 -5.078 -26.573 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.306 -4.234 -25.818 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.948 -3.565 -25.674 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.023 -4.894 -24.207 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.905 -3.983 -25.249 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.772 -3.858 -23.479 1.00 0.00 H new ATOM 887 N ILE B 77 1.803 -5.103 -23.023 1.00 0.00 N ATOM 888 CA ILE B 77 0.360 -4.917 -23.101 1.00 0.00 C ATOM 889 C ILE B 77 -0.113 -3.863 -22.106 1.00 0.00 C ATOM 890 O ILE B 77 -0.841 -2.937 -22.464 1.00 0.00 O ATOM 891 CB ILE B 77 -0.393 -6.234 -22.835 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.070 -7.260 -23.922 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.892 -5.982 -22.765 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.666 -6.921 -25.270 1.00 0.00 C ATOM 0 H ILE B 77 2.092 -6.029 -22.707 1.00 0.00 H new ATOM 0 HA ILE B 77 0.140 -4.581 -24.114 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.066 -6.635 -21.875 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.012 -7.342 -24.023 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.436 -8.237 -23.608 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.411 -6.922 -22.577 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.106 -5.281 -21.958 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.235 -5.562 -23.710 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.396 -7.692 -25.992 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.751 -6.868 -25.185 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.281 -5.958 -25.606 1.00 0.00 H new ATOM 906 N PHE B 78 0.307 -4.010 -20.853 1.00 0.00 N ATOM 907 CA PHE B 78 -0.073 -3.070 -19.805 1.00 0.00 C ATOM 908 C PHE B 78 0.280 -1.640 -20.202 1.00 0.00 C ATOM 909 O PHE B 78 -0.531 -0.726 -20.058 1.00 0.00 O ATOM 910 CB PHE B 78 0.621 -3.433 -18.490 1.00 0.00 C ATOM 911 CG PHE B 78 0.498 -2.371 -17.435 1.00 0.00 C ATOM 912 CD1 PHE B 78 1.437 -1.357 -17.341 1.00 0.00 C ATOM 913 CD2 PHE B 78 -0.557 -2.387 -16.536 1.00 0.00 C ATOM 914 CE1 PHE B 78 1.327 -0.378 -16.371 1.00 0.00 C ATOM 915 CE2 PHE B 78 -0.673 -1.411 -15.565 1.00 0.00 C ATOM 916 CZ PHE B 78 0.271 -0.405 -15.482 1.00 0.00 C ATOM 0 H PHE B 78 0.910 -4.771 -20.539 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.153 -3.133 -19.668 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.198 -4.363 -18.110 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.677 -3.620 -18.685 1.00 0.00 H new ATOM 0 HD1 PHE B 78 2.265 -1.331 -18.034 1.00 0.00 H new ATOM 0 HD2 PHE B 78 -1.297 -3.172 -16.595 1.00 0.00 H new ATOM 0 HE1 PHE B 78 2.066 0.407 -16.309 1.00 0.00 H new ATOM 0 HE2 PHE B 78 -1.501 -1.434 -14.871 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.183 0.358 -14.723 1.00 0.00 H new ATOM 926 N GLY B 79 1.498 -1.454 -20.703 1.00 0.00 N ATOM 927 CA GLY B 79 1.938 -0.134 -21.112 1.00 0.00 C ATOM 928 C GLY B 79 1.031 0.481 -22.160 1.00 0.00 C ATOM 929 O GLY B 79 0.534 1.594 -21.986 1.00 0.00 O ATOM 0 H GLY B 79 2.187 -2.195 -20.833 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.976 0.519 -20.240 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.952 -0.198 -21.506 1.00 0.00 H new ATOM 933 N VAL B 80 0.815 -0.244 -23.253 1.00 0.00 N ATOM 934 CA VAL B 80 -0.038 0.236 -24.333 1.00 0.00 C ATOM 935 C VAL B 80 -1.471 0.435 -23.854 1.00 0.00 C ATOM 936 O VAL B 80 -2.168 1.342 -24.310 1.00 0.00 O ATOM 937 CB VAL B 80 -0.037 -0.739 -25.525 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.863 -0.180 -26.673 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.387 -1.029 -25.975 1.00 0.00 C ATOM 0 H VAL B 80 1.219 -1.167 -23.414 1.00 0.00 H new ATOM 0 HA VAL B 80 0.370 1.194 -24.657 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.491 -1.677 -25.205 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.851 -0.883 -27.506 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.890 -0.028 -26.342 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.441 0.772 -26.995 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.369 -1.720 -26.818 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.869 -0.100 -26.278 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.945 -1.476 -25.152 1.00 0.00 H new ATOM 949 N MET B 81 -1.906 -0.418 -22.933 1.00 0.00 N ATOM 950 CA MET B 81 -3.257 -0.335 -22.391 1.00 0.00 C ATOM 951 C MET B 81 -3.444 0.951 -21.592 1.00 0.00 C ATOM 952 O MET B 81 -4.436 1.659 -21.762 1.00 0.00 O ATOM 953 CB MET B 81 -3.549 -1.547 -21.504 1.00 0.00 C ATOM 954 CG MET B 81 -3.856 -2.813 -22.287 1.00 0.00 C ATOM 955 SD MET B 81 -5.476 -3.499 -21.891 1.00 0.00 S ATOM 956 CE MET B 81 -6.516 -2.595 -23.037 1.00 0.00 C ATOM 0 H MET B 81 -1.342 -1.175 -22.546 1.00 0.00 H new ATOM 0 HA MET B 81 -3.957 -0.328 -23.226 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.691 -1.729 -20.857 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.394 -1.317 -20.855 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.809 -2.596 -23.354 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.089 -3.559 -22.079 1.00 0.00 H new ATOM 0 HE1 MET B 81 -7.552 -2.909 -22.913 1.00 0.00 H new ATOM 0 HE2 MET B 81 -6.435 -1.527 -22.837 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.194 -2.799 -24.058 1.00 0.00 H new ATOM 966 N ALA B 82 -2.484 1.246 -20.721 1.00 0.00 N ATOM 967 CA ALA B 82 -2.543 2.448 -19.898 1.00 0.00 C ATOM 968 C ALA B 82 -2.438 3.705 -20.754 1.00 0.00 C ATOM 969 O ALA B 82 -3.194 4.658 -20.570 1.00 0.00 O ATOM 970 CB ALA B 82 -1.438 2.425 -18.852 1.00 0.00 C ATOM 0 H ALA B 82 -1.657 0.669 -20.567 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.508 2.465 -19.391 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.493 3.328 -18.244 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.560 1.550 -18.214 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.468 2.380 -19.348 1.00 0.00 H new ATOM 976 N GLY B 83 -1.494 3.701 -21.691 1.00 0.00 N ATOM 977 CA GLY B 83 -1.307 4.847 -22.560 1.00 0.00 C ATOM 978 C GLY B 83 -2.527 5.134 -23.413 1.00 0.00 C ATOM 979 O GLY B 83 -3.017 6.263 -23.448 1.00 0.00 O ATOM 0 H GLY B 83 -0.856 2.924 -21.863 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.076 5.724 -21.955 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.448 4.672 -23.208 1.00 0.00 H new ATOM 983 N VAL B 84 -3.019 4.110 -24.103 1.00 0.00 N ATOM 984 CA VAL B 84 -4.189 4.257 -24.960 1.00 0.00 C ATOM 985 C VAL B 84 -5.361 4.857 -24.191 1.00 0.00 C ATOM 986 O VAL B 84 -5.891 5.904 -24.564 1.00 0.00 O ATOM 987 CB VAL B 84 -4.620 2.905 -25.558 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.993 3.019 -26.203 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.589 2.415 -26.564 1.00 0.00 C ATOM 0 H VAL B 84 -2.625 3.169 -24.085 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.906 4.930 -25.769 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.684 2.175 -24.751 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.280 2.054 -26.620 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.723 3.322 -25.453 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.960 3.763 -26.999 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.909 1.458 -26.977 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.492 3.143 -27.369 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.626 2.292 -26.068 1.00 0.00 H new ATOM 999 N ILE B 85 -5.761 4.186 -23.115 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.869 4.654 -22.293 1.00 0.00 C ATOM 1001 C ILE B 85 -6.630 6.080 -21.807 1.00 0.00 C ATOM 1002 O ILE B 85 -7.544 6.903 -21.793 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.091 3.739 -21.074 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.439 2.321 -21.530 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.190 4.300 -20.183 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.757 2.230 -22.266 1.00 0.00 C ATOM 0 H ILE B 85 -5.334 3.317 -22.793 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.759 4.631 -22.922 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.168 3.698 -20.496 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.644 1.951 -22.178 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.472 1.666 -20.659 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.335 3.642 -19.326 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.905 5.293 -19.834 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.119 4.368 -20.750 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.939 1.196 -22.559 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.562 2.569 -21.614 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.721 2.859 -23.156 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.393 6.365 -21.412 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.055 7.693 -20.932 1.00 0.00 C ATOM 1020 C GLY B 86 -5.334 8.769 -21.962 1.00 0.00 C ATOM 1021 O GLY B 86 -6.012 9.756 -21.672 1.00 0.00 O ATOM 0 H GLY B 86 -4.619 5.701 -21.416 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.624 7.905 -20.027 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.000 7.720 -20.659 1.00 0.00 H new ATOM 1025 N THR B 87 -4.810 8.582 -23.169 1.00 0.00 N ATOM 1026 CA THR B 87 -5.004 9.546 -24.245 1.00 0.00 C ATOM 1027 C THR B 87 -6.487 9.774 -24.518 1.00 0.00 C ATOM 1028 O THR B 87 -6.931 10.912 -24.671 1.00 0.00 O ATOM 1029 CB THR B 87 -4.320 9.083 -25.545 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.047 8.498 -25.247 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.136 10.249 -26.505 1.00 0.00 C ATOM 0 H THR B 87 -4.247 7.771 -23.426 1.00 0.00 H new ATOM 0 HA THR B 87 -4.549 10.481 -23.917 1.00 0.00 H new ATOM 0 HB THR B 87 -4.959 8.339 -26.021 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.632 8.980 -24.502 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.651 9.897 -27.416 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.109 10.673 -26.753 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.516 11.013 -26.035 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.247 8.686 -24.578 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.680 8.769 -24.831 1.00 0.00 C ATOM 1041 C ILE B 88 -9.360 9.708 -23.840 1.00 0.00 C ATOM 1042 O ILE B 88 -10.097 10.614 -24.232 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.347 7.383 -24.748 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.723 6.431 -25.770 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.847 7.503 -24.974 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.900 4.970 -25.421 1.00 0.00 C ATOM 0 H ILE B 88 -6.894 7.737 -24.455 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.800 9.162 -25.841 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.181 6.975 -23.751 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.167 6.619 -26.748 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.659 6.649 -25.855 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.304 6.516 -24.912 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.279 8.151 -24.212 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.033 7.928 -25.960 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.433 4.353 -26.189 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.432 4.767 -24.458 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.963 4.736 -25.364 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.106 9.488 -22.555 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.691 10.316 -21.506 1.00 0.00 C ATOM 1060 C LEU B 89 -9.346 11.786 -21.717 1.00 0.00 C ATOM 1061 O LEU B 89 -10.230 12.644 -21.752 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.199 9.857 -20.132 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.827 8.572 -19.590 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.872 7.876 -18.632 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.150 8.874 -18.902 1.00 0.00 C ATOM 0 H LEU B 89 -8.499 8.743 -22.214 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.774 10.206 -21.552 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.119 9.717 -20.183 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.383 10.658 -19.416 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.021 7.903 -20.428 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.335 6.964 -18.256 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.949 7.626 -19.156 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.647 8.539 -17.797 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.582 7.948 -18.523 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -10.981 9.562 -18.073 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.836 9.329 -19.616 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.057 12.072 -21.860 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.594 13.439 -22.071 1.00 0.00 C ATOM 1079 C LEU B 90 -8.245 14.050 -23.308 1.00 0.00 C ATOM 1080 O LEU B 90 -8.804 15.145 -23.250 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.072 13.467 -22.215 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.273 12.984 -21.003 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.935 12.410 -21.440 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.070 14.121 -20.012 1.00 0.00 C ATOM 0 H LEU B 90 -7.313 11.375 -21.834 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.881 14.031 -21.202 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.797 12.854 -23.074 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.767 14.489 -22.442 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.839 12.194 -20.509 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.381 12.072 -20.564 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.102 11.568 -22.111 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.361 13.178 -21.958 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.500 13.760 -19.156 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.525 14.932 -20.495 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.040 14.487 -19.674 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.171 13.333 -24.424 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.756 13.803 -25.673 1.00 0.00 C ATOM 1098 C ILE B 91 -10.236 14.126 -25.500 1.00 0.00 C ATOM 1099 O ILE B 91 -10.712 15.166 -25.955 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.598 12.760 -26.796 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.129 12.641 -27.209 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.461 13.135 -27.992 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.576 13.898 -27.843 1.00 0.00 C ATOM 0 H ILE B 91 -7.712 12.425 -24.489 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.219 14.710 -25.951 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.930 11.792 -26.422 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.532 12.394 -26.331 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.023 11.813 -27.910 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.339 12.389 -28.777 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.507 13.174 -27.688 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.156 14.111 -28.369 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.531 13.741 -28.110 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.148 14.135 -28.740 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.650 14.725 -27.136 1.00 0.00 H new ATOM 1115 N SER B 92 -10.958 13.229 -24.837 1.00 0.00 N ATOM 1116 CA SER B 92 -12.385 13.418 -24.604 1.00 0.00 C ATOM 1117 C SER B 92 -12.651 14.748 -23.906 1.00 0.00 C ATOM 1118 O SER B 92 -13.663 15.403 -24.156 1.00 0.00 O ATOM 1119 CB SER B 92 -12.943 12.268 -23.764 1.00 0.00 C ATOM 1120 OG SER B 92 -14.153 12.642 -23.127 1.00 0.00 O ATOM 0 H SER B 92 -10.579 12.364 -24.452 1.00 0.00 H new ATOM 0 HA SER B 92 -12.887 13.429 -25.571 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.116 11.400 -24.400 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.210 11.972 -23.014 1.00 0.00 H new ATOM 0 HG SER B 92 -14.490 11.889 -22.598 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.734 15.142 -23.029 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.868 16.392 -22.291 1.00 0.00 C ATOM 1128 C TYR B 93 -11.682 17.592 -23.215 1.00 0.00 C ATOM 1129 O TYR B 93 -12.341 18.619 -23.059 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.850 16.449 -21.151 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.102 15.430 -20.063 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.389 15.179 -19.603 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.053 14.716 -19.496 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.624 14.250 -18.609 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.279 13.784 -18.502 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.566 13.554 -18.061 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.795 12.626 -17.072 1.00 0.00 O ATOM 0 H TYR B 93 -10.889 14.613 -22.812 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.874 16.431 -21.872 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -9.851 16.293 -21.559 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.863 17.447 -20.713 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.220 15.720 -20.031 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.044 14.893 -19.838 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.631 14.069 -18.262 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -9.452 13.238 -18.072 1.00 0.00 H new ATOM 0 HH TYR B 93 -10.944 12.225 -16.796 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.776 17.454 -24.179 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.518 18.533 -25.114 1.00 0.00 C ATOM 1149 C GLY B 94 -11.715 18.837 -25.993 1.00 0.00 C ATOM 1150 O GLY B 94 -11.981 19.997 -26.311 1.00 0.00 O ATOM 0 H GLY B 94 -10.217 16.614 -24.329 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.240 19.430 -24.561 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.667 18.270 -25.742 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.437 17.794 -26.388 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.612 17.956 -27.236 1.00 0.00 C ATOM 1156 C ILE B 95 -14.715 18.717 -26.508 1.00 0.00 C ATOM 1157 O ILE B 95 -15.498 19.438 -27.126 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.163 16.595 -27.700 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.095 15.828 -28.482 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.410 16.791 -28.549 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.659 16.524 -29.752 1.00 0.00 C ATOM 0 H ILE B 95 -12.229 16.828 -26.135 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.295 18.527 -28.109 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.433 16.010 -26.821 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.225 15.679 -27.842 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.480 14.840 -28.733 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.788 15.820 -28.870 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.173 17.302 -27.962 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.163 17.392 -29.425 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -11.901 15.923 -30.254 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.518 16.650 -30.411 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.244 17.502 -29.507 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.769 18.552 -25.190 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.776 19.224 -24.377 1.00 0.00 C ATOM 1175 C ARG B 96 -15.449 20.706 -24.221 1.00 0.00 C ATOM 1176 O ARG B 96 -16.333 21.559 -24.301 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.873 18.564 -23.000 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.300 18.275 -22.562 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.338 17.291 -21.404 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.693 17.100 -20.893 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.059 16.061 -20.151 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.175 15.124 -19.835 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.311 15.957 -19.723 1.00 0.00 N ATOM 0 H ARG B 96 -14.128 17.959 -24.663 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.736 19.134 -24.885 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.310 17.631 -23.013 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.399 19.211 -22.262 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.787 19.205 -22.267 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.865 17.872 -23.402 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.935 16.332 -21.730 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -16.695 17.651 -20.601 1.00 0.00 H new ATOM 0 HE ARG B 96 -19.397 17.803 -21.118 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.212 15.200 -20.162 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -18.458 14.327 -19.265 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.994 16.676 -19.964 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.591 15.158 -19.153 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.173 21.005 -23.998 1.00 0.00 N ATOM 1198 CA ARG B 97 -13.730 22.383 -23.830 1.00 0.00 C ATOM 1199 C ARG B 97 -14.473 23.057 -22.680 1.00 0.00 C ATOM 1200 O ARG B 97 -14.596 24.282 -22.639 1.00 0.00 O ATOM 1201 CB ARG B 97 -13.945 23.172 -25.123 1.00 0.00 C ATOM 1202 CG ARG B 97 -12.705 23.911 -25.599 1.00 0.00 C ATOM 1203 CD ARG B 97 -12.423 25.136 -24.743 1.00 0.00 C ATOM 1204 NE ARG B 97 -11.699 24.795 -23.521 1.00 0.00 N ATOM 1205 CZ ARG B 97 -10.427 24.413 -23.503 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -9.742 24.324 -24.634 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -9.838 24.120 -22.351 1.00 0.00 N ATOM 0 H ARG B 97 -13.428 20.311 -23.930 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.666 22.370 -23.594 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.273 22.488 -25.906 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -14.750 23.891 -24.970 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -11.847 23.240 -25.570 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.837 24.214 -26.638 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -11.842 25.855 -25.320 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -13.364 25.621 -24.483 1.00 0.00 H new ATOM 0 HE ARG B 97 -12.197 24.853 -22.633 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -10.191 24.549 -25.522 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -8.765 24.030 -24.617 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -10.362 24.188 -21.479 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -8.861 23.827 -22.338 1.00 0.00 H new ATOM 1221 N LEU B 98 -14.968 22.249 -21.749 1.00 0.00 N ATOM 1222 CA LEU B 98 -15.701 22.767 -20.598 1.00 0.00 C ATOM 1223 C LEU B 98 -14.744 23.181 -19.485 1.00 0.00 C ATOM 1224 O LEU B 98 -13.646 22.637 -19.362 1.00 0.00 O ATOM 1225 CB LEU B 98 -16.682 21.715 -20.078 1.00 0.00 C ATOM 1226 CG LEU B 98 -18.166 22.035 -20.257 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -18.508 22.173 -21.732 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -19.026 20.961 -19.607 1.00 0.00 C ATOM 0 H LEU B 98 -14.876 21.233 -21.768 1.00 0.00 H new ATOM 0 HA LEU B 98 -16.258 23.647 -20.919 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -16.471 20.771 -20.580 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -16.490 21.561 -19.016 1.00 0.00 H new ATOM 0 HG LEU B 98 -18.374 22.986 -19.766 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.568 22.401 -21.840 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -17.918 22.979 -22.169 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -18.283 21.239 -22.247 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -20.079 21.206 -19.745 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -18.814 19.997 -20.069 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -18.801 20.910 -18.542 1.00 0.00 H new TER 1240 LEU B 98