USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 964 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 82 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Set 2.1: B 50 THR OG1 : rot 4:sc= 0.795 USER MOD Set 2.2: B 53 HIS : no HD1:sc= -1.66 K(o=-0.86,f=-1.6!) USER MOD Set 3.1: A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 82 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.24) USER MOD Single : A 55 THR OG1 : rot -151:sc= -2.02! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0911 X(o=-0.091,f=0) USER MOD Single : A 83 MET CE :methyl -153:sc= -1.2 (180deg=-2.59!) USER MOD Single : A 85 SER OG : rot 61:sc= 1.22 USER MOD Single : A 94 THR OG1 : rot -38:sc= 0.0607 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.782 F(o=0,f=0.78) USER MOD Single : A 101 ASN : amide:sc= -0.099 X(o=-0.099,f=-0.0064) USER MOD Single : A 103 ASN : amide:sc= -0.575 X(o=-0.58,f=-0.58) USER MOD Single : A 104 LYS NZ :NH3+ 136:sc= -0.387 (180deg=-1.4!) USER MOD Single : B 55 THR OG1 : rot -152:sc= -2! USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= -0.0768 X(o=-0.077,f=0) USER MOD Single : B 83 MET CE :methyl -148:sc= -1.21 (180deg=-2.64!) USER MOD Single : B 85 SER OG : rot 53:sc= 1.25 USER MOD Single : B 94 THR OG1 : rot -39:sc= 0.0459 USER MOD Single : B 99 GLN :FLIP amide:sc= 0.779 F(o=0,f=0.78) USER MOD Single : B 101 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.0096) USER MOD Single : B 103 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.56) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 50 0.201 -39.976 -10.105 1.00 0.00 N ATOM 2 CA THR A 50 -0.065 -38.530 -10.325 1.00 0.00 C ATOM 3 C THR A 50 -1.348 -38.092 -9.624 1.00 0.00 C ATOM 4 O THR A 50 -2.368 -38.778 -9.691 1.00 0.00 O ATOM 5 CB THR A 50 -0.171 -38.278 -11.831 1.00 0.00 C ATOM 6 OG1 THR A 50 -0.310 -36.894 -12.098 1.00 0.00 O ATOM 7 CG2 THR A 50 -1.338 -38.992 -12.479 1.00 0.00 C ATOM 0 HA THR A 50 0.753 -37.947 -9.903 1.00 0.00 H new ATOM 0 HB THR A 50 0.753 -38.672 -12.255 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.375 -36.752 -13.066 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.354 -38.770 -13.546 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.233 -40.067 -12.334 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.269 -38.654 -12.024 1.00 0.00 H new ATOM 17 N ARG A 51 -1.288 -36.947 -8.953 1.00 0.00 N ATOM 18 CA ARG A 51 -2.444 -36.417 -8.239 1.00 0.00 C ATOM 19 C ARG A 51 -2.677 -34.951 -8.597 1.00 0.00 C ATOM 20 O ARG A 51 -2.056 -34.421 -9.519 1.00 0.00 O ATOM 21 CB ARG A 51 -2.265 -36.565 -6.720 1.00 0.00 C ATOM 22 CG ARG A 51 -0.892 -37.073 -6.301 1.00 0.00 C ATOM 23 CD ARG A 51 -0.661 -36.897 -4.809 1.00 0.00 C ATOM 24 NE ARG A 51 -0.321 -38.159 -4.154 1.00 0.00 N ATOM 25 CZ ARG A 51 -0.300 -38.327 -2.833 1.00 0.00 C ATOM 26 NH1 ARG A 51 -0.596 -37.318 -2.024 1.00 0.00 N ATOM 27 NH2 ARG A 51 0.018 -39.508 -2.320 1.00 0.00 N ATOM 0 H ARG A 51 -0.451 -36.368 -8.889 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.317 -36.994 -8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.442 -35.598 -6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.025 -37.249 -6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.798 -38.127 -6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.121 -36.537 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.142 -36.178 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.558 -36.481 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.086 -38.958 -4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.841 -36.408 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.578 -37.453 -1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.246 -40.287 -2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.034 -39.637 -1.308 1.00 0.00 H new ATOM 41 N ALA A 52 -3.575 -34.302 -7.865 1.00 0.00 N ATOM 42 CA ALA A 52 -3.893 -32.899 -8.108 1.00 0.00 C ATOM 43 C ALA A 52 -2.669 -32.009 -7.897 1.00 0.00 C ATOM 44 O ALA A 52 -2.600 -30.902 -8.432 1.00 0.00 O ATOM 45 CB ALA A 52 -5.033 -32.452 -7.205 1.00 0.00 C ATOM 0 H ALA A 52 -4.097 -34.725 -7.097 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.205 -32.800 -9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.260 -31.403 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.917 -33.057 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.741 -32.575 -6.162 1.00 0.00 H new ATOM 51 N HIS A 53 -1.710 -32.498 -7.116 1.00 0.00 N ATOM 52 CA HIS A 53 -0.491 -31.745 -6.834 1.00 0.00 C ATOM 53 C HIS A 53 -0.806 -30.461 -6.072 1.00 0.00 C ATOM 54 O HIS A 53 -0.651 -30.398 -4.853 1.00 0.00 O ATOM 55 CB HIS A 53 0.251 -31.420 -8.133 1.00 0.00 C ATOM 56 CG HIS A 53 0.845 -32.622 -8.799 1.00 0.00 C ATOM 57 ND1 HIS A 53 1.307 -33.718 -8.100 1.00 0.00 N ATOM 58 CD2 HIS A 53 1.048 -32.900 -10.109 1.00 0.00 C ATOM 59 CE1 HIS A 53 1.771 -34.617 -8.949 1.00 0.00 C ATOM 60 NE2 HIS A 53 1.625 -34.145 -10.175 1.00 0.00 N ATOM 0 H HIS A 53 -1.753 -33.413 -6.667 1.00 0.00 H new ATOM 0 HA HIS A 53 0.151 -32.366 -6.209 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.438 -30.935 -8.824 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.044 -30.704 -7.919 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.802 -32.262 -10.945 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.197 -35.574 -8.686 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.897 -34.627 -11.032 1.00 0.00 H new ATOM 69 N LEU A 54 -1.248 -29.437 -6.797 1.00 0.00 N ATOM 70 CA LEU A 54 -1.582 -28.156 -6.185 1.00 0.00 C ATOM 71 C LEU A 54 -3.074 -28.077 -5.871 1.00 0.00 C ATOM 72 O LEU A 54 -3.468 -28.065 -4.706 1.00 0.00 O ATOM 73 CB LEU A 54 -1.177 -27.005 -7.111 1.00 0.00 C ATOM 74 CG LEU A 54 0.199 -27.152 -7.763 1.00 0.00 C ATOM 75 CD1 LEU A 54 0.165 -26.667 -9.204 1.00 0.00 C ATOM 76 CD2 LEU A 54 1.246 -26.390 -6.966 1.00 0.00 C ATOM 0 H LEU A 54 -1.383 -29.470 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.029 -28.070 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.926 -26.910 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.194 -26.076 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 54 0.468 -28.208 -7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.153 -26.780 -9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.557 -27.256 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.126 -25.617 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.220 -26.504 -7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.980 -25.334 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.290 -26.786 -5.951 1.00 0.00 H new ATOM 88 N THR A 55 -3.885 -28.026 -6.931 1.00 0.00 N ATOM 89 CA THR A 55 -5.349 -27.955 -6.833 1.00 0.00 C ATOM 90 C THR A 55 -5.841 -27.411 -5.485 1.00 0.00 C ATOM 91 O THR A 55 -6.101 -26.216 -5.346 1.00 0.00 O ATOM 92 CB THR A 55 -5.956 -29.334 -7.104 1.00 0.00 C ATOM 93 OG1 THR A 55 -5.625 -29.776 -8.409 1.00 0.00 O ATOM 94 CG2 THR A 55 -7.464 -29.370 -6.978 1.00 0.00 C ATOM 0 H THR A 55 -3.542 -28.033 -7.892 1.00 0.00 H new ATOM 0 HA THR A 55 -5.682 -27.245 -7.590 1.00 0.00 H new ATOM 0 HB THR A 55 -5.533 -29.987 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.331 -30.368 -8.743 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.822 -30.379 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.752 -29.082 -5.967 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.905 -28.675 -7.692 1.00 0.00 H new ATOM 102 N GLU A 56 -5.981 -28.295 -4.501 1.00 0.00 N ATOM 103 CA GLU A 56 -6.457 -27.897 -3.181 1.00 0.00 C ATOM 104 C GLU A 56 -5.534 -26.862 -2.542 1.00 0.00 C ATOM 105 O GLU A 56 -5.914 -25.703 -2.358 1.00 0.00 O ATOM 106 CB GLU A 56 -6.577 -29.123 -2.272 1.00 0.00 C ATOM 107 CG GLU A 56 -7.983 -29.696 -2.205 1.00 0.00 C ATOM 108 CD GLU A 56 -8.151 -30.698 -1.080 1.00 0.00 C ATOM 109 OE1 GLU A 56 -7.422 -31.712 -1.074 1.00 0.00 O ATOM 110 OE2 GLU A 56 -9.012 -30.469 -0.204 1.00 0.00 O ATOM 0 H GLU A 56 -5.772 -29.289 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.439 -27.441 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.895 -29.896 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.256 -28.852 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.697 -28.883 -2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.221 -30.177 -3.154 1.00 0.00 H new ATOM 117 N VAL A 57 -4.326 -27.286 -2.191 1.00 0.00 N ATOM 118 CA VAL A 57 -3.366 -26.390 -1.558 1.00 0.00 C ATOM 119 C VAL A 57 -3.094 -25.157 -2.417 1.00 0.00 C ATOM 120 O VAL A 57 -2.679 -24.110 -1.902 1.00 0.00 O ATOM 121 CB VAL A 57 -2.041 -27.101 -1.235 1.00 0.00 C ATOM 122 CG1 VAL A 57 -1.111 -26.163 -0.477 1.00 0.00 C ATOM 123 CG2 VAL A 57 -2.295 -28.370 -0.436 1.00 0.00 C ATOM 0 H VAL A 57 -3.989 -28.238 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.820 -26.069 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.560 -27.382 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.177 -26.678 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.904 -25.284 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.586 -25.854 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.345 -28.859 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.797 -28.117 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.925 -29.045 -1.015 1.00 0.00 H new ATOM 133 N GLU A 58 -3.359 -25.255 -3.719 1.00 0.00 N ATOM 134 CA GLU A 58 -3.162 -24.116 -4.593 1.00 0.00 C ATOM 135 C GLU A 58 -4.224 -23.081 -4.271 1.00 0.00 C ATOM 136 O GLU A 58 -3.934 -21.901 -4.077 1.00 0.00 O ATOM 137 CB GLU A 58 -3.208 -24.542 -6.070 1.00 0.00 C ATOM 138 CG GLU A 58 -4.505 -24.203 -6.783 1.00 0.00 C ATOM 139 CD GLU A 58 -4.579 -24.795 -8.177 1.00 0.00 C ATOM 140 OE1 GLU A 58 -3.541 -24.803 -8.873 1.00 0.00 O ATOM 141 OE2 GLU A 58 -5.672 -25.251 -8.571 1.00 0.00 O ATOM 0 H GLU A 58 -3.704 -26.098 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.176 -23.682 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.382 -24.065 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.046 -25.618 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.345 -24.568 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.607 -23.120 -6.847 1.00 0.00 H new ATOM 148 N SER A 59 -5.451 -23.553 -4.147 1.00 0.00 N ATOM 149 CA SER A 59 -6.553 -22.685 -3.780 1.00 0.00 C ATOM 150 C SER A 59 -6.369 -22.235 -2.337 1.00 0.00 C ATOM 151 O SER A 59 -6.980 -21.265 -1.892 1.00 0.00 O ATOM 152 CB SER A 59 -7.890 -23.413 -3.941 1.00 0.00 C ATOM 153 OG SER A 59 -8.893 -22.536 -4.422 1.00 0.00 O ATOM 0 H SER A 59 -5.708 -24.529 -4.295 1.00 0.00 H new ATOM 0 HA SER A 59 -6.561 -21.816 -4.438 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.772 -24.249 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.197 -23.832 -2.983 1.00 0.00 H new ATOM 0 HG SER A 59 -9.737 -23.025 -4.518 1.00 0.00 H new ATOM 159 N ARG A 60 -5.513 -22.955 -1.609 1.00 0.00 N ATOM 160 CA ARG A 60 -5.237 -22.646 -0.217 1.00 0.00 C ATOM 161 C ARG A 60 -4.373 -21.410 -0.083 1.00 0.00 C ATOM 162 O ARG A 60 -4.865 -20.344 0.293 1.00 0.00 O ATOM 163 CB ARG A 60 -4.543 -23.822 0.465 1.00 0.00 C ATOM 164 CG ARG A 60 -5.503 -24.895 0.959 1.00 0.00 C ATOM 165 CD ARG A 60 -5.692 -24.825 2.467 1.00 0.00 C ATOM 166 NE ARG A 60 -7.099 -24.911 2.848 1.00 0.00 N ATOM 167 CZ ARG A 60 -7.784 -26.051 2.905 1.00 0.00 C ATOM 168 NH1 ARG A 60 -7.197 -27.202 2.598 1.00 0.00 N ATOM 169 NH2 ARG A 60 -9.059 -26.040 3.268 1.00 0.00 N ATOM 0 H ARG A 60 -5.000 -23.759 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.194 -22.455 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.838 -24.272 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.962 -23.450 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.467 -24.777 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.123 -25.879 0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.139 -25.636 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.272 -23.892 2.842 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.586 -24.046 3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.217 -27.215 2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.727 -28.073 2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.515 -25.158 3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.584 -26.913 3.312 1.00 0.00 H new ATOM 183 N LEU A 61 -3.079 -21.541 -0.372 1.00 0.00 N ATOM 184 CA LEU A 61 -2.200 -20.394 -0.243 1.00 0.00 C ATOM 185 C LEU A 61 -2.658 -19.279 -1.169 1.00 0.00 C ATOM 186 O LEU A 61 -2.501 -18.095 -0.861 1.00 0.00 O ATOM 187 CB LEU A 61 -0.750 -20.791 -0.491 1.00 0.00 C ATOM 188 CG LEU A 61 -0.026 -21.271 0.768 1.00 0.00 C ATOM 189 CD1 LEU A 61 0.186 -20.116 1.735 1.00 0.00 C ATOM 190 CD2 LEU A 61 -0.813 -22.387 1.440 1.00 0.00 C ATOM 0 H LEU A 61 -2.633 -22.403 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.253 -20.017 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.721 -21.581 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.214 -19.938 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 61 0.949 -21.660 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.702 -20.476 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.787 -19.344 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.780 -19.698 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.284 -22.717 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.801 -22.019 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.918 -23.224 0.750 1.00 0.00 H new ATOM 202 N GLU A 62 -3.283 -19.659 -2.277 1.00 0.00 N ATOM 203 CA GLU A 62 -3.818 -18.674 -3.199 1.00 0.00 C ATOM 204 C GLU A 62 -4.957 -17.932 -2.510 1.00 0.00 C ATOM 205 O GLU A 62 -5.099 -16.715 -2.655 1.00 0.00 O ATOM 206 CB GLU A 62 -4.306 -19.334 -4.486 1.00 0.00 C ATOM 207 CG GLU A 62 -4.810 -18.346 -5.526 1.00 0.00 C ATOM 208 CD GLU A 62 -6.028 -18.855 -6.272 1.00 0.00 C ATOM 209 OE1 GLU A 62 -7.087 -19.028 -5.635 1.00 0.00 O ATOM 210 OE2 GLU A 62 -5.922 -19.081 -7.496 1.00 0.00 O ATOM 0 H GLU A 62 -3.429 -20.630 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.032 -17.971 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.492 -19.917 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.106 -20.034 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.056 -17.403 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.013 -18.137 -6.239 1.00 0.00 H new ATOM 217 N ARG A 63 -5.750 -18.671 -1.724 1.00 0.00 N ATOM 218 CA ARG A 63 -6.848 -18.067 -0.984 1.00 0.00 C ATOM 219 C ARG A 63 -6.284 -17.133 0.080 1.00 0.00 C ATOM 220 O ARG A 63 -6.918 -16.149 0.461 1.00 0.00 O ATOM 221 CB ARG A 63 -7.723 -19.146 -0.336 1.00 0.00 C ATOM 222 CG ARG A 63 -8.767 -18.596 0.625 1.00 0.00 C ATOM 223 CD ARG A 63 -9.483 -19.712 1.369 1.00 0.00 C ATOM 224 NE ARG A 63 -9.696 -19.383 2.778 1.00 0.00 N ATOM 225 CZ ARG A 63 -10.637 -18.547 3.211 1.00 0.00 C ATOM 226 NH1 ARG A 63 -11.452 -17.950 2.348 1.00 0.00 N ATOM 227 NH2 ARG A 63 -10.765 -18.307 4.509 1.00 0.00 N ATOM 0 H ARG A 63 -5.648 -19.677 -1.589 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.471 -17.497 -1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.227 -19.711 -1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.082 -19.846 0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.288 -17.929 1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.494 -18.001 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.444 -19.907 0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.899 -20.630 1.295 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.087 -19.820 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.358 -18.131 1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.171 -17.310 2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.142 -18.763 5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.486 -17.666 4.840 1.00 0.00 H new ATOM 241 N LEU A 64 -5.070 -17.439 0.536 1.00 0.00 N ATOM 242 CA LEU A 64 -4.399 -16.617 1.532 1.00 0.00 C ATOM 243 C LEU A 64 -3.876 -15.346 0.877 1.00 0.00 C ATOM 244 O LEU A 64 -3.743 -14.303 1.517 1.00 0.00 O ATOM 245 CB LEU A 64 -3.259 -17.406 2.195 1.00 0.00 C ATOM 246 CG LEU A 64 -2.023 -16.590 2.590 1.00 0.00 C ATOM 247 CD1 LEU A 64 -1.357 -17.189 3.819 1.00 0.00 C ATOM 248 CD2 LEU A 64 -1.040 -16.521 1.429 1.00 0.00 C ATOM 0 H LEU A 64 -4.534 -18.251 0.229 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.110 -16.340 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.651 -17.892 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.946 -18.197 1.513 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.342 -15.577 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.482 -16.596 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.061 -17.188 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.050 -18.213 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.168 -15.938 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.728 -17.529 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.520 -16.046 0.573 1.00 0.00 H new ATOM 260 N GLU A 65 -3.601 -15.457 -0.409 1.00 0.00 N ATOM 261 CA GLU A 65 -3.108 -14.337 -1.196 1.00 0.00 C ATOM 262 C GLU A 65 -4.254 -13.398 -1.561 1.00 0.00 C ATOM 263 O GLU A 65 -4.061 -12.192 -1.709 1.00 0.00 O ATOM 264 CB GLU A 65 -2.428 -14.844 -2.468 1.00 0.00 C ATOM 265 CG GLU A 65 -1.855 -13.737 -3.337 1.00 0.00 C ATOM 266 CD GLU A 65 -2.805 -13.311 -4.440 1.00 0.00 C ATOM 267 OE1 GLU A 65 -3.459 -14.193 -5.033 1.00 0.00 O ATOM 268 OE2 GLU A 65 -2.893 -12.095 -4.709 1.00 0.00 O ATOM 0 H GLU A 65 -3.712 -16.322 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.380 -13.789 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.626 -15.529 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.149 -15.416 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.619 -12.875 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.918 -14.076 -3.780 1.00 0.00 H new ATOM 275 N GLN A 66 -5.451 -13.964 -1.698 1.00 0.00 N ATOM 276 CA GLN A 66 -6.632 -13.180 -2.038 1.00 0.00 C ATOM 277 C GLN A 66 -7.032 -12.275 -0.876 1.00 0.00 C ATOM 278 O GLN A 66 -7.571 -11.188 -1.078 1.00 0.00 O ATOM 279 CB GLN A 66 -7.795 -14.103 -2.410 1.00 0.00 C ATOM 280 CG GLN A 66 -8.212 -14.003 -3.868 1.00 0.00 C ATOM 281 CD GLN A 66 -8.523 -15.355 -4.479 1.00 0.00 C ATOM 282 OE1 GLN A 66 -8.122 -15.647 -5.606 1.00 0.00 O ATOM 283 NE2 GLN A 66 -9.244 -16.187 -3.740 1.00 0.00 N ATOM 0 H GLN A 66 -5.627 -14.962 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.390 -12.554 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.514 -15.133 -2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.652 -13.866 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.090 -13.362 -3.948 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.415 -13.525 -4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.556 -15.904 -2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.487 -17.110 -4.101 1.00 0.00 H new ATOM 292 N LEU A 67 -6.763 -12.734 0.343 1.00 0.00 N ATOM 293 CA LEU A 67 -7.093 -11.971 1.541 1.00 0.00 C ATOM 294 C LEU A 67 -5.944 -11.046 1.942 1.00 0.00 C ATOM 295 O LEU A 67 -6.106 -10.184 2.806 1.00 0.00 O ATOM 296 CB LEU A 67 -7.427 -12.916 2.697 1.00 0.00 C ATOM 297 CG LEU A 67 -8.551 -12.437 3.620 1.00 0.00 C ATOM 298 CD1 LEU A 67 -9.890 -12.991 3.158 1.00 0.00 C ATOM 299 CD2 LEU A 67 -8.270 -12.846 5.058 1.00 0.00 C ATOM 0 H LEU A 67 -6.316 -13.633 0.526 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.965 -11.356 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.704 -13.886 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.527 -13.068 3.293 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.595 -11.349 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.678 -12.641 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.095 -12.649 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.858 -14.080 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.079 -12.497 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.200 -13.932 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.330 -12.402 5.385 1.00 0.00 H new ATOM 311 N PHE A 68 -4.785 -11.229 1.313 1.00 0.00 N ATOM 312 CA PHE A 68 -3.614 -10.410 1.611 1.00 0.00 C ATOM 313 C PHE A 68 -3.158 -10.613 3.052 1.00 0.00 C ATOM 314 O PHE A 68 -3.978 -10.787 3.954 1.00 0.00 O ATOM 315 CB PHE A 68 -3.920 -8.930 1.363 1.00 0.00 C ATOM 316 CG PHE A 68 -4.267 -8.620 -0.065 1.00 0.00 C ATOM 317 CD1 PHE A 68 -3.273 -8.333 -0.987 1.00 0.00 C ATOM 318 CD2 PHE A 68 -5.588 -8.614 -0.485 1.00 0.00 C ATOM 319 CE1 PHE A 68 -3.590 -8.047 -2.301 1.00 0.00 C ATOM 320 CE2 PHE A 68 -5.911 -8.328 -1.799 1.00 0.00 C ATOM 321 CZ PHE A 68 -4.910 -8.044 -2.708 1.00 0.00 C ATOM 0 H PHE A 68 -4.632 -11.937 0.595 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.808 -10.722 0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.748 -8.626 2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.055 -8.335 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.239 -8.333 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.374 -8.835 0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.806 -7.826 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.944 -8.327 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.159 -7.820 -3.735 1.00 0.00 H new ATOM 331 N LEU A 69 -1.846 -10.592 3.260 1.00 0.00 N ATOM 332 CA LEU A 69 -1.278 -10.777 4.590 1.00 0.00 C ATOM 333 C LEU A 69 -1.036 -9.432 5.269 1.00 0.00 C ATOM 334 O LEU A 69 -1.642 -9.127 6.297 1.00 0.00 O ATOM 335 CB LEU A 69 0.033 -11.560 4.503 1.00 0.00 C ATOM 336 CG LEU A 69 0.033 -12.721 3.506 1.00 0.00 C ATOM 337 CD1 LEU A 69 1.441 -12.987 2.995 1.00 0.00 C ATOM 338 CD2 LEU A 69 -0.548 -13.973 4.146 1.00 0.00 C ATOM 0 H LEU A 69 -1.155 -10.448 2.523 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.992 -11.343 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.833 -10.870 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.270 -11.951 5.492 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.593 -12.445 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.421 -13.816 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.822 -12.095 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.090 -13.241 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.540 -14.788 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.052 -14.251 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.573 -13.778 4.462 1.00 0.00 H new ATOM 350 N LEU A 70 -0.151 -8.632 4.686 1.00 0.00 N ATOM 351 CA LEU A 70 0.171 -7.318 5.233 1.00 0.00 C ATOM 352 C LEU A 70 0.497 -6.333 4.117 1.00 0.00 C ATOM 353 O LEU A 70 1.333 -5.444 4.283 1.00 0.00 O ATOM 354 CB LEU A 70 1.351 -7.419 6.201 1.00 0.00 C ATOM 355 CG LEU A 70 1.174 -8.429 7.335 1.00 0.00 C ATOM 356 CD1 LEU A 70 2.500 -8.680 8.036 1.00 0.00 C ATOM 357 CD2 LEU A 70 0.130 -7.938 8.326 1.00 0.00 C ATOM 0 H LEU A 70 0.357 -8.870 3.834 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.702 -6.953 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.244 -7.684 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.530 -6.436 6.636 1.00 0.00 H new ATOM 0 HG LEU A 70 0.827 -9.370 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.356 -9.401 8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.221 -9.074 7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.875 -7.744 8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.016 -8.669 9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.448 -6.984 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.824 -7.808 7.815 1.00 0.00 H new ATOM 369 N ILE A 71 -0.167 -6.497 2.977 1.00 0.00 N ATOM 370 CA ILE A 71 0.053 -5.624 1.831 1.00 0.00 C ATOM 371 C ILE A 71 -0.880 -4.417 1.869 1.00 0.00 C ATOM 372 O ILE A 71 -0.428 -3.274 1.887 1.00 0.00 O ATOM 373 CB ILE A 71 -0.158 -6.378 0.503 1.00 0.00 C ATOM 374 CG1 ILE A 71 0.603 -7.705 0.518 1.00 0.00 C ATOM 375 CG2 ILE A 71 0.289 -5.518 -0.670 1.00 0.00 C ATOM 376 CD1 ILE A 71 2.105 -7.540 0.592 1.00 0.00 C ATOM 0 H ILE A 71 -0.862 -7.227 2.823 1.00 0.00 H new ATOM 0 HA ILE A 71 1.086 -5.282 1.889 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.221 -6.592 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.268 -8.297 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.351 -8.269 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.134 -6.063 -1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.293 -4.597 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.347 -5.277 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.579 -8.522 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.452 -6.975 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.368 -7.004 1.504 1.00 0.00 H new ATOM 388 N PHE A 72 -2.182 -4.682 1.879 1.00 0.00 N ATOM 389 CA PHE A 72 -3.177 -3.616 1.914 1.00 0.00 C ATOM 390 C PHE A 72 -3.484 -3.201 3.353 1.00 0.00 C ATOM 391 O PHE A 72 -4.062 -3.972 4.117 1.00 0.00 O ATOM 392 CB PHE A 72 -4.463 -4.070 1.219 1.00 0.00 C ATOM 393 CG PHE A 72 -5.342 -2.934 0.780 1.00 0.00 C ATOM 394 CD1 PHE A 72 -5.033 -2.201 -0.356 1.00 0.00 C ATOM 395 CD2 PHE A 72 -6.476 -2.599 1.500 1.00 0.00 C ATOM 396 CE1 PHE A 72 -5.839 -1.154 -0.763 1.00 0.00 C ATOM 397 CE2 PHE A 72 -7.286 -1.554 1.099 1.00 0.00 C ATOM 398 CZ PHE A 72 -6.967 -0.831 -0.035 1.00 0.00 C ATOM 0 H PHE A 72 -2.573 -5.624 1.863 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.768 -2.754 1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.203 -4.674 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.025 -4.713 1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.153 -2.451 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.731 -3.161 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.587 -0.590 -1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.167 -1.302 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.599 -0.014 -0.351 1.00 0.00 H new ATOM 408 N PRO A 73 -3.100 -1.972 3.747 1.00 0.00 N ATOM 409 CA PRO A 73 -3.340 -1.468 5.103 1.00 0.00 C ATOM 410 C PRO A 73 -4.825 -1.438 5.455 1.00 0.00 C ATOM 411 O PRO A 73 -5.638 -2.108 4.819 1.00 0.00 O ATOM 412 CB PRO A 73 -2.773 -0.043 5.070 1.00 0.00 C ATOM 413 CG PRO A 73 -1.829 -0.029 3.917 1.00 0.00 C ATOM 414 CD PRO A 73 -2.404 -0.979 2.908 1.00 0.00 C ATOM 0 HA PRO A 73 -2.877 -2.105 5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.565 0.694 4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.262 0.200 6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.735 0.974 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.831 -0.342 4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.089 -0.477 2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.627 -1.440 2.298 1.00 0.00 H new ATOM 422 N ARG A 74 -5.168 -0.652 6.470 1.00 0.00 N ATOM 423 CA ARG A 74 -6.552 -0.525 6.910 1.00 0.00 C ATOM 424 C ARG A 74 -6.904 0.943 7.138 1.00 0.00 C ATOM 425 O ARG A 74 -6.019 1.786 7.272 1.00 0.00 O ATOM 426 CB ARG A 74 -6.774 -1.327 8.197 1.00 0.00 C ATOM 427 CG ARG A 74 -7.393 -2.695 7.962 1.00 0.00 C ATOM 428 CD ARG A 74 -8.876 -2.589 7.650 1.00 0.00 C ATOM 429 NE ARG A 74 -9.118 -2.300 6.240 1.00 0.00 N ATOM 430 CZ ARG A 74 -10.264 -1.812 5.769 1.00 0.00 C ATOM 431 NH1 ARG A 74 -11.273 -1.558 6.591 1.00 0.00 N ATOM 432 NH2 ARG A 74 -10.399 -1.577 4.471 1.00 0.00 N ATOM 0 H ARG A 74 -4.504 -0.092 7.005 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.202 -0.923 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.819 -1.452 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.419 -0.756 8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.881 -3.190 7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.250 -3.317 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.371 -3.522 7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.320 -1.804 8.263 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.365 -2.483 5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.174 -1.736 7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.148 -1.184 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.626 -1.770 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.276 -1.203 4.109 1.00 0.00 H new ATOM 446 N GLU A 75 -8.196 1.248 7.181 1.00 0.00 N ATOM 447 CA GLU A 75 -8.645 2.620 7.395 1.00 0.00 C ATOM 448 C GLU A 75 -8.058 3.559 6.337 1.00 0.00 C ATOM 449 O GLU A 75 -7.673 3.121 5.253 1.00 0.00 O ATOM 450 CB GLU A 75 -8.248 3.086 8.800 1.00 0.00 C ATOM 451 CG GLU A 75 -9.387 3.740 9.567 1.00 0.00 C ATOM 452 CD GLU A 75 -10.168 2.750 10.408 1.00 0.00 C ATOM 453 OE1 GLU A 75 -9.537 2.003 11.186 1.00 0.00 O ATOM 454 OE2 GLU A 75 -11.411 2.720 10.288 1.00 0.00 O ATOM 0 H GLU A 75 -8.948 0.568 7.071 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.731 2.646 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.882 2.231 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.422 3.792 8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.984 4.521 10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.063 4.225 8.863 1.00 0.00 H new ATOM 461 N ASP A 76 -8.000 4.852 6.655 1.00 0.00 N ATOM 462 CA ASP A 76 -7.467 5.846 5.726 1.00 0.00 C ATOM 463 C ASP A 76 -5.940 5.834 5.708 1.00 0.00 C ATOM 464 O ASP A 76 -5.324 6.001 4.656 1.00 0.00 O ATOM 465 CB ASP A 76 -7.973 7.241 6.099 1.00 0.00 C ATOM 466 CG ASP A 76 -9.453 7.412 5.818 1.00 0.00 C ATOM 467 OD1 ASP A 76 -9.983 6.676 4.959 1.00 0.00 O ATOM 468 OD2 ASP A 76 -10.082 8.281 6.458 1.00 0.00 O ATOM 0 H ASP A 76 -8.315 5.234 7.547 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.818 5.588 4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.783 7.423 7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.411 7.990 5.541 1.00 0.00 H new ATOM 473 N LEU A 77 -5.332 5.639 6.878 1.00 0.00 N ATOM 474 CA LEU A 77 -3.871 5.607 6.990 1.00 0.00 C ATOM 475 C LEU A 77 -3.257 4.722 5.909 1.00 0.00 C ATOM 476 O LEU A 77 -3.481 3.511 5.885 1.00 0.00 O ATOM 477 CB LEU A 77 -3.457 5.104 8.375 1.00 0.00 C ATOM 478 CG LEU A 77 -3.795 6.044 9.534 1.00 0.00 C ATOM 479 CD1 LEU A 77 -4.025 5.253 10.813 1.00 0.00 C ATOM 480 CD2 LEU A 77 -2.683 7.064 9.730 1.00 0.00 C ATOM 0 H LEU A 77 -5.825 5.501 7.760 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.500 6.623 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.939 4.143 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.382 4.926 8.374 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.714 6.577 9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.264 5.938 11.626 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.853 4.559 10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.123 4.694 11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.938 7.726 10.558 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.750 6.547 9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.564 7.651 8.820 1.00 0.00 H new ATOM 492 N ASP A 78 -2.497 5.334 5.001 1.00 0.00 N ATOM 493 CA ASP A 78 -1.875 4.592 3.908 1.00 0.00 C ATOM 494 C ASP A 78 -0.385 4.912 3.773 1.00 0.00 C ATOM 495 O ASP A 78 -0.003 5.988 3.301 1.00 0.00 O ATOM 496 CB ASP A 78 -2.603 4.901 2.603 1.00 0.00 C ATOM 497 CG ASP A 78 -2.998 3.645 1.852 1.00 0.00 C ATOM 498 OD1 ASP A 78 -2.116 2.792 1.617 1.00 0.00 O ATOM 499 OD2 ASP A 78 -4.189 3.514 1.498 1.00 0.00 O ATOM 0 H ASP A 78 -2.299 6.335 5.001 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.957 3.529 4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.495 5.489 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.963 5.514 1.969 1.00 0.00 H new ATOM 504 N MET A 79 0.451 3.961 4.188 1.00 0.00 N ATOM 505 CA MET A 79 1.900 4.119 4.121 1.00 0.00 C ATOM 506 C MET A 79 2.400 4.117 2.678 1.00 0.00 C ATOM 507 O MET A 79 3.311 4.867 2.328 1.00 0.00 O ATOM 508 CB MET A 79 2.588 2.998 4.903 1.00 0.00 C ATOM 509 CG MET A 79 2.639 3.243 6.402 1.00 0.00 C ATOM 510 SD MET A 79 4.313 3.163 7.067 1.00 0.00 S ATOM 511 CE MET A 79 4.195 4.329 8.422 1.00 0.00 C ATOM 0 H MET A 79 0.145 3.069 4.576 1.00 0.00 H new ATOM 0 HA MET A 79 2.147 5.083 4.565 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.064 2.061 4.714 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.604 2.876 4.529 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.213 4.222 6.620 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.017 2.505 6.908 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.156 4.391 8.934 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.927 5.312 8.034 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.431 3.995 9.124 1.00 0.00 H new ATOM 521 N ILE A 80 1.812 3.263 1.851 1.00 0.00 N ATOM 522 CA ILE A 80 2.211 3.155 0.450 1.00 0.00 C ATOM 523 C ILE A 80 1.987 4.462 -0.308 1.00 0.00 C ATOM 524 O ILE A 80 2.859 4.914 -1.053 1.00 0.00 O ATOM 525 CB ILE A 80 1.438 2.027 -0.261 1.00 0.00 C ATOM 526 CG1 ILE A 80 1.532 0.726 0.542 1.00 0.00 C ATOM 527 CG2 ILE A 80 1.968 1.823 -1.676 1.00 0.00 C ATOM 528 CD1 ILE A 80 0.215 0.296 1.153 1.00 0.00 C ATOM 0 H ILE A 80 1.057 2.634 2.124 1.00 0.00 H new ATOM 0 HA ILE A 80 3.277 2.926 0.448 1.00 0.00 H new ATOM 0 HB ILE A 80 0.389 2.316 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.897 -0.068 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.268 0.851 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.410 1.023 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.850 2.745 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.024 1.555 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.357 -0.632 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.142 1.072 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.519 0.138 0.362 1.00 0.00 H new ATOM 540 N LEU A 81 0.812 5.052 -0.130 1.00 0.00 N ATOM 541 CA LEU A 81 0.468 6.297 -0.819 1.00 0.00 C ATOM 542 C LEU A 81 1.105 7.514 -0.150 1.00 0.00 C ATOM 543 O LEU A 81 1.323 8.536 -0.799 1.00 0.00 O ATOM 544 CB LEU A 81 -1.055 6.489 -0.887 1.00 0.00 C ATOM 545 CG LEU A 81 -1.903 5.250 -0.592 1.00 0.00 C ATOM 546 CD1 LEU A 81 -3.354 5.640 -0.363 1.00 0.00 C ATOM 547 CD2 LEU A 81 -1.793 4.241 -1.724 1.00 0.00 C ATOM 0 H LEU A 81 0.080 4.693 0.483 1.00 0.00 H new ATOM 0 HA LEU A 81 0.865 6.214 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.334 7.272 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.311 6.851 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.524 4.784 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.942 4.746 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.418 6.322 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.744 6.131 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.404 3.368 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.143 4.695 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.753 3.936 -1.840 1.00 0.00 H new ATOM 559 N LYS A 82 1.393 7.415 1.144 1.00 0.00 N ATOM 560 CA LYS A 82 1.990 8.534 1.868 1.00 0.00 C ATOM 561 C LYS A 82 3.513 8.567 1.716 1.00 0.00 C ATOM 562 O LYS A 82 4.144 9.592 1.967 1.00 0.00 O ATOM 563 CB LYS A 82 1.605 8.484 3.348 1.00 0.00 C ATOM 564 CG LYS A 82 2.404 7.478 4.157 1.00 0.00 C ATOM 565 CD LYS A 82 3.426 8.162 5.050 1.00 0.00 C ATOM 566 CE LYS A 82 2.902 8.326 6.468 1.00 0.00 C ATOM 567 NZ LYS A 82 3.962 8.076 7.485 1.00 0.00 N ATOM 0 H LYS A 82 1.225 6.582 1.708 1.00 0.00 H new ATOM 0 HA LYS A 82 1.596 9.451 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.740 9.475 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.545 8.242 3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.727 6.882 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.913 6.790 3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.346 7.578 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.676 9.139 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.508 9.334 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.073 7.637 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.521 7.912 8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.515 7.239 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.591 8.902 7.541 1.00 0.00 H new ATOM 581 N MET A 83 4.102 7.443 1.313 1.00 0.00 N ATOM 582 CA MET A 83 5.550 7.363 1.147 1.00 0.00 C ATOM 583 C MET A 83 5.950 7.310 -0.326 1.00 0.00 C ATOM 584 O MET A 83 7.077 7.655 -0.680 1.00 0.00 O ATOM 585 CB MET A 83 6.099 6.133 1.870 1.00 0.00 C ATOM 586 CG MET A 83 6.374 6.366 3.347 1.00 0.00 C ATOM 587 SD MET A 83 7.450 5.107 4.059 1.00 0.00 S ATOM 588 CE MET A 83 6.247 3.867 4.538 1.00 0.00 C ATOM 0 H MET A 83 3.602 6.581 1.097 1.00 0.00 H new ATOM 0 HA MET A 83 5.977 8.266 1.582 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.388 5.314 1.767 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.022 5.817 1.383 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.832 7.346 3.477 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.429 6.381 3.891 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.636 3.287 5.375 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.319 4.356 4.835 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.054 3.203 3.696 1.00 0.00 H new ATOM 598 N ASP A 84 5.031 6.870 -1.179 1.00 0.00 N ATOM 599 CA ASP A 84 5.312 6.771 -2.607 1.00 0.00 C ATOM 600 C ASP A 84 5.716 8.124 -3.188 1.00 0.00 C ATOM 601 O ASP A 84 6.890 8.363 -3.472 1.00 0.00 O ATOM 602 CB ASP A 84 4.096 6.222 -3.356 1.00 0.00 C ATOM 603 CG ASP A 84 4.280 4.774 -3.764 1.00 0.00 C ATOM 604 OD1 ASP A 84 4.174 3.891 -2.887 1.00 0.00 O ATOM 605 OD2 ASP A 84 4.534 4.522 -4.961 1.00 0.00 O ATOM 0 H ASP A 84 4.092 6.578 -0.909 1.00 0.00 H new ATOM 0 HA ASP A 84 6.148 6.083 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.212 6.310 -2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.915 6.828 -4.244 1.00 0.00 H new ATOM 610 N SER A 85 4.738 9.004 -3.367 1.00 0.00 N ATOM 611 CA SER A 85 4.998 10.330 -3.919 1.00 0.00 C ATOM 612 C SER A 85 3.740 11.193 -3.892 1.00 0.00 C ATOM 613 O SER A 85 2.686 10.789 -4.382 1.00 0.00 O ATOM 614 CB SER A 85 5.519 10.214 -5.352 1.00 0.00 C ATOM 615 OG SER A 85 6.935 10.153 -5.377 1.00 0.00 O ATOM 0 H SER A 85 3.760 8.825 -3.139 1.00 0.00 H new ATOM 0 HA SER A 85 5.756 10.809 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.105 9.322 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.178 11.069 -5.936 1.00 0.00 H new ATOM 0 HG SER A 85 7.237 9.364 -4.881 1.00 0.00 H new ATOM 621 N LEU A 86 3.867 12.385 -3.321 1.00 0.00 N ATOM 622 CA LEU A 86 2.749 13.315 -3.230 1.00 0.00 C ATOM 623 C LEU A 86 3.253 14.743 -3.039 1.00 0.00 C ATOM 624 O LEU A 86 2.581 15.574 -2.428 1.00 0.00 O ATOM 625 CB LEU A 86 1.824 12.927 -2.074 1.00 0.00 C ATOM 626 CG LEU A 86 2.534 12.593 -0.760 1.00 0.00 C ATOM 627 CD1 LEU A 86 2.556 13.806 0.157 1.00 0.00 C ATOM 628 CD2 LEU A 86 1.860 11.413 -0.073 1.00 0.00 C ATOM 0 H LEU A 86 4.736 12.731 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 86 2.187 13.265 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.128 13.747 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.230 12.065 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 86 3.563 12.315 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.065 13.550 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.085 14.623 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.534 14.115 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.379 11.190 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.820 11.662 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.898 10.541 -0.726 1.00 0.00 H new ATOM 640 N ARG A 87 4.443 15.017 -3.568 1.00 0.00 N ATOM 641 CA ARG A 87 5.044 16.342 -3.458 1.00 0.00 C ATOM 642 C ARG A 87 4.794 17.170 -4.717 1.00 0.00 C ATOM 643 O ARG A 87 4.968 18.384 -4.708 1.00 0.00 O ATOM 644 CB ARG A 87 6.548 16.222 -3.209 1.00 0.00 C ATOM 645 CG ARG A 87 6.899 15.819 -1.784 1.00 0.00 C ATOM 646 CD ARG A 87 7.520 16.974 -1.013 1.00 0.00 C ATOM 647 NE ARG A 87 7.914 16.580 0.338 1.00 0.00 N ATOM 648 CZ ARG A 87 8.657 17.336 1.143 1.00 0.00 C ATOM 649 NH1 ARG A 87 9.087 18.525 0.738 1.00 0.00 N ATOM 650 NH2 ARG A 87 8.969 16.904 2.356 1.00 0.00 N ATOM 0 H ARG A 87 5.010 14.339 -4.077 1.00 0.00 H new ATOM 0 HA ARG A 87 4.577 16.851 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.965 15.488 -3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.023 17.177 -3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.000 15.479 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.593 14.979 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.393 17.343 -1.552 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.808 17.798 -0.958 1.00 0.00 H new ATOM 0 HE ARG A 87 7.601 15.673 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.848 18.863 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.656 19.100 1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.640 15.992 2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.538 17.483 2.973 1.00 0.00 H new ATOM 664 N ASP A 88 4.383 16.512 -5.797 1.00 0.00 N ATOM 665 CA ASP A 88 4.109 17.207 -7.052 1.00 0.00 C ATOM 666 C ASP A 88 2.844 18.060 -6.946 1.00 0.00 C ATOM 667 O ASP A 88 2.575 18.903 -7.804 1.00 0.00 O ATOM 668 CB ASP A 88 3.963 16.201 -8.195 1.00 0.00 C ATOM 669 CG ASP A 88 5.200 15.341 -8.369 1.00 0.00 C ATOM 670 OD1 ASP A 88 6.300 15.805 -8.007 1.00 0.00 O ATOM 671 OD2 ASP A 88 5.067 14.203 -8.867 1.00 0.00 O ATOM 0 H ASP A 88 4.233 15.504 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 88 4.951 17.867 -7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.102 15.560 -8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.762 16.736 -9.123 1.00 0.00 H new ATOM 676 N ILE A 89 2.081 17.850 -5.875 1.00 0.00 N ATOM 677 CA ILE A 89 0.858 18.604 -5.646 1.00 0.00 C ATOM 678 C ILE A 89 1.190 19.885 -4.912 1.00 0.00 C ATOM 679 O ILE A 89 0.927 20.979 -5.401 1.00 0.00 O ATOM 680 CB ILE A 89 -0.166 17.797 -4.825 1.00 0.00 C ATOM 681 CG1 ILE A 89 -0.323 16.390 -5.404 1.00 0.00 C ATOM 682 CG2 ILE A 89 -1.504 18.522 -4.787 1.00 0.00 C ATOM 683 CD1 ILE A 89 -1.076 16.360 -6.712 1.00 0.00 C ATOM 0 H ILE A 89 2.292 17.161 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 89 0.412 18.824 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 89 0.200 17.705 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.665 15.954 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.843 15.763 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.217 17.940 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.374 19.502 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.881 18.644 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.150 15.332 -7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.077 16.767 -6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.545 16.960 -7.451 1.00 0.00 H new ATOM 695 N GLU A 90 1.811 19.735 -3.750 1.00 0.00 N ATOM 696 CA GLU A 90 2.230 20.881 -2.965 1.00 0.00 C ATOM 697 C GLU A 90 3.269 21.675 -3.752 1.00 0.00 C ATOM 698 O GLU A 90 3.511 22.849 -3.479 1.00 0.00 O ATOM 699 CB GLU A 90 2.814 20.420 -1.625 1.00 0.00 C ATOM 700 CG GLU A 90 3.436 21.540 -0.807 1.00 0.00 C ATOM 701 CD GLU A 90 3.972 21.058 0.528 1.00 0.00 C ATOM 702 OE1 GLU A 90 5.023 20.384 0.535 1.00 0.00 O ATOM 703 OE2 GLU A 90 3.338 21.353 1.563 1.00 0.00 O ATOM 0 H GLU A 90 2.034 18.831 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 90 1.368 21.517 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.025 19.950 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.570 19.657 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.246 21.995 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.691 22.317 -0.636 1.00 0.00 H new ATOM 710 N ALA A 91 3.872 21.015 -4.741 1.00 0.00 N ATOM 711 CA ALA A 91 4.881 21.636 -5.587 1.00 0.00 C ATOM 712 C ALA A 91 4.218 22.424 -6.705 1.00 0.00 C ATOM 713 O ALA A 91 4.264 23.652 -6.720 1.00 0.00 O ATOM 714 CB ALA A 91 5.815 20.582 -6.162 1.00 0.00 C ATOM 0 H ALA A 91 3.674 20.042 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 91 5.470 22.323 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.563 21.063 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.312 20.053 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.241 19.873 -6.758 1.00 0.00 H new ATOM 720 N LEU A 92 3.583 21.714 -7.636 1.00 0.00 N ATOM 721 CA LEU A 92 2.897 22.373 -8.744 1.00 0.00 C ATOM 722 C LEU A 92 2.027 23.516 -8.223 1.00 0.00 C ATOM 723 O LEU A 92 1.798 24.509 -8.916 1.00 0.00 O ATOM 724 CB LEU A 92 2.039 21.370 -9.521 1.00 0.00 C ATOM 725 CG LEU A 92 1.931 21.639 -11.023 1.00 0.00 C ATOM 726 CD1 LEU A 92 1.532 20.371 -11.767 1.00 0.00 C ATOM 727 CD2 LEU A 92 0.932 22.752 -11.295 1.00 0.00 C ATOM 0 H LEU A 92 3.530 20.695 -7.646 1.00 0.00 H new ATOM 0 HA LEU A 92 3.649 22.781 -9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.452 20.372 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.036 21.366 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 92 2.909 21.957 -11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.460 20.582 -12.834 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.283 19.599 -11.600 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.566 20.023 -11.400 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.868 22.930 -12.369 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.048 22.462 -10.917 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.258 23.664 -10.795 1.00 0.00 H new ATOM 739 N LEU A 93 1.566 23.375 -6.979 1.00 0.00 N ATOM 740 CA LEU A 93 0.741 24.396 -6.350 1.00 0.00 C ATOM 741 C LEU A 93 1.610 25.497 -5.754 1.00 0.00 C ATOM 742 O LEU A 93 1.282 26.677 -5.865 1.00 0.00 O ATOM 743 CB LEU A 93 -0.151 23.787 -5.265 1.00 0.00 C ATOM 744 CG LEU A 93 -1.523 23.310 -5.752 1.00 0.00 C ATOM 745 CD1 LEU A 93 -1.644 21.798 -5.628 1.00 0.00 C ATOM 746 CD2 LEU A 93 -2.637 24.000 -4.978 1.00 0.00 C ATOM 0 H LEU A 93 1.752 22.563 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 93 0.102 24.830 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.373 22.943 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.298 24.527 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.620 23.575 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.626 21.482 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.872 21.321 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.521 21.508 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.603 23.648 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.540 23.769 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.567 25.078 -5.123 1.00 0.00 H new ATOM 758 N THR A 94 2.730 25.120 -5.133 1.00 0.00 N ATOM 759 CA THR A 94 3.622 26.122 -4.550 1.00 0.00 C ATOM 760 C THR A 94 4.310 26.943 -5.644 1.00 0.00 C ATOM 761 O THR A 94 4.960 27.949 -5.361 1.00 0.00 O ATOM 762 CB THR A 94 4.665 25.476 -3.632 1.00 0.00 C ATOM 763 OG1 THR A 94 5.216 26.439 -2.753 1.00 0.00 O ATOM 764 CG2 THR A 94 5.811 24.834 -4.376 1.00 0.00 C ATOM 0 H THR A 94 3.035 24.153 -5.023 1.00 0.00 H new ATOM 0 HA THR A 94 3.011 26.792 -3.946 1.00 0.00 H new ATOM 0 HB THR A 94 4.127 24.698 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.334 27.287 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.509 24.398 -3.662 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.427 24.053 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.325 25.588 -4.972 1.00 0.00 H new ATOM 772 N GLY A 95 4.158 26.508 -6.894 1.00 0.00 N ATOM 773 CA GLY A 95 4.760 27.212 -8.007 1.00 0.00 C ATOM 774 C GLY A 95 3.732 27.943 -8.845 1.00 0.00 C ATOM 775 O GLY A 95 4.006 29.016 -9.379 1.00 0.00 O ATOM 0 H GLY A 95 3.626 25.677 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.493 27.926 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.300 26.503 -8.634 1.00 0.00 H new ATOM 779 N LEU A 96 2.536 27.367 -8.950 1.00 0.00 N ATOM 780 CA LEU A 96 1.463 27.990 -9.720 1.00 0.00 C ATOM 781 C LEU A 96 0.662 28.953 -8.860 1.00 0.00 C ATOM 782 O LEU A 96 -0.196 29.683 -9.357 1.00 0.00 O ATOM 783 CB LEU A 96 0.526 26.938 -10.308 1.00 0.00 C ATOM 784 CG LEU A 96 0.079 27.200 -11.748 1.00 0.00 C ATOM 785 CD1 LEU A 96 -0.691 26.007 -12.295 1.00 0.00 C ATOM 786 CD2 LEU A 96 -0.768 28.462 -11.820 1.00 0.00 C ATOM 0 H LEU A 96 2.287 26.478 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 96 1.930 28.544 -10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.023 25.969 -10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.359 26.868 -9.676 1.00 0.00 H new ATOM 0 HG LEU A 96 0.967 27.345 -12.363 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.000 26.212 -13.320 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.053 25.124 -12.279 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.572 25.829 -11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.078 28.634 -12.851 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.650 28.344 -11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.184 29.313 -11.470 1.00 0.00 H new ATOM 798 N PHE A 97 0.944 28.943 -7.571 1.00 0.00 N ATOM 799 CA PHE A 97 0.245 29.806 -6.632 1.00 0.00 C ATOM 800 C PHE A 97 -1.227 29.405 -6.538 1.00 0.00 C ATOM 801 O PHE A 97 -1.577 28.247 -6.767 1.00 0.00 O ATOM 802 CB PHE A 97 0.387 31.266 -7.069 1.00 0.00 C ATOM 803 CG PHE A 97 0.684 32.212 -5.941 1.00 0.00 C ATOM 804 CD1 PHE A 97 1.800 32.027 -5.138 1.00 0.00 C ATOM 805 CD2 PHE A 97 -0.150 33.288 -5.684 1.00 0.00 C ATOM 806 CE1 PHE A 97 2.075 32.897 -4.101 1.00 0.00 C ATOM 807 CE2 PHE A 97 0.122 34.161 -4.649 1.00 0.00 C ATOM 808 CZ PHE A 97 1.236 33.965 -3.856 1.00 0.00 C ATOM 0 H PHE A 97 1.654 28.346 -7.147 1.00 0.00 H new ATOM 0 HA PHE A 97 0.688 29.694 -5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.183 31.338 -7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.534 31.579 -7.560 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.461 31.194 -5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.023 33.446 -6.300 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.946 32.742 -3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.536 34.996 -4.460 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.450 34.646 -3.046 1.00 0.00 H new ATOM 818 N VAL A 98 -2.087 30.361 -6.205 1.00 0.00 N ATOM 819 CA VAL A 98 -3.517 30.097 -6.084 1.00 0.00 C ATOM 820 C VAL A 98 -4.338 31.299 -6.539 1.00 0.00 C ATOM 821 O VAL A 98 -4.261 32.376 -5.945 1.00 0.00 O ATOM 822 CB VAL A 98 -3.902 29.747 -4.635 1.00 0.00 C ATOM 823 CG1 VAL A 98 -5.351 29.290 -4.561 1.00 0.00 C ATOM 824 CG2 VAL A 98 -2.971 28.680 -4.079 1.00 0.00 C ATOM 0 H VAL A 98 -1.819 31.326 -6.014 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.737 29.245 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.797 30.644 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.604 29.047 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.003 30.088 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.486 28.407 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.258 28.445 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.042 27.781 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.945 29.049 -4.093 1.00 0.00 H new ATOM 834 N GLN A 99 -5.124 31.109 -7.593 1.00 0.00 N ATOM 835 CA GLN A 99 -5.961 32.177 -8.127 1.00 0.00 C ATOM 836 C GLN A 99 -7.245 31.613 -8.723 1.00 0.00 C ATOM 837 O GLN A 99 -7.219 30.610 -9.438 1.00 0.00 O ATOM 838 CB GLN A 99 -5.196 32.970 -9.189 1.00 0.00 C ATOM 839 CG GLN A 99 -5.888 34.259 -9.601 1.00 0.00 C ATOM 840 CD GLN A 99 -5.365 34.808 -10.915 1.00 0.00 C ATOM 841 OE1 GLN A 99 -4.435 35.753 -10.833 1.00 0.00 O flip ATOM 842 NE2 GLN A 99 -5.791 34.387 -11.991 1.00 0.00 N flip ATOM 0 H GLN A 99 -5.199 30.224 -8.095 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.225 32.844 -7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.202 33.206 -8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.059 32.343 -10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.960 34.080 -9.687 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.751 35.006 -8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.506 33.660 -12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.429 34.765 -12.866 1.00 0.00 H new ATOM 851 N ASP A 100 -8.368 32.264 -8.423 1.00 0.00 N ATOM 852 CA ASP A 100 -9.674 31.836 -8.925 1.00 0.00 C ATOM 853 C ASP A 100 -9.844 30.321 -8.820 1.00 0.00 C ATOM 854 O ASP A 100 -9.462 29.579 -9.724 1.00 0.00 O ATOM 855 CB ASP A 100 -9.863 32.286 -10.376 1.00 0.00 C ATOM 856 CG ASP A 100 -8.805 31.722 -11.303 1.00 0.00 C ATOM 857 OD1 ASP A 100 -7.703 32.308 -11.374 1.00 0.00 O ATOM 858 OD2 ASP A 100 -9.075 30.693 -11.958 1.00 0.00 O ATOM 0 H ASP A 100 -8.400 33.094 -7.832 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.437 32.305 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.848 31.975 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.838 33.375 -10.421 1.00 0.00 H new ATOM 863 N ASN A 101 -10.419 29.872 -7.708 1.00 0.00 N ATOM 864 CA ASN A 101 -10.636 28.448 -7.483 1.00 0.00 C ATOM 865 C ASN A 101 -12.012 28.196 -6.873 1.00 0.00 C ATOM 866 O ASN A 101 -12.217 28.398 -5.676 1.00 0.00 O ATOM 867 CB ASN A 101 -9.548 27.881 -6.569 1.00 0.00 C ATOM 868 CG ASN A 101 -8.190 27.841 -7.242 1.00 0.00 C ATOM 869 OD1 ASN A 101 -7.877 26.906 -7.980 1.00 0.00 O ATOM 870 ND2 ASN A 101 -7.375 28.859 -6.992 1.00 0.00 N ATOM 0 H ASN A 101 -10.742 30.473 -6.950 1.00 0.00 H new ATOM 0 HA ASN A 101 -10.588 27.943 -8.448 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.485 28.487 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.826 26.874 -6.259 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.449 28.887 -7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.675 29.613 -6.374 1.00 0.00 H new ATOM 877 N VAL A 102 -12.948 27.751 -7.703 1.00 0.00 N ATOM 878 CA VAL A 102 -14.303 27.471 -7.245 1.00 0.00 C ATOM 879 C VAL A 102 -14.721 26.051 -7.608 1.00 0.00 C ATOM 880 O VAL A 102 -15.293 25.332 -6.787 1.00 0.00 O ATOM 881 CB VAL A 102 -15.317 28.462 -7.848 1.00 0.00 C ATOM 882 CG1 VAL A 102 -15.055 29.871 -7.340 1.00 0.00 C ATOM 883 CG2 VAL A 102 -15.269 28.416 -9.367 1.00 0.00 C ATOM 0 H VAL A 102 -12.793 27.576 -8.696 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.300 27.582 -6.161 1.00 0.00 H new ATOM 0 HB VAL A 102 -16.317 28.168 -7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -15.781 30.556 -7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.147 29.889 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.049 30.179 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -15.992 29.122 -9.775 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.269 28.683 -9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -15.512 27.410 -9.708 1.00 0.00 H new ATOM 893 N ASN A 103 -14.435 25.652 -8.842 1.00 0.00 N ATOM 894 CA ASN A 103 -14.782 24.316 -9.313 1.00 0.00 C ATOM 895 C ASN A 103 -13.843 23.870 -10.429 1.00 0.00 C ATOM 896 O ASN A 103 -13.340 22.747 -10.418 1.00 0.00 O ATOM 897 CB ASN A 103 -16.229 24.289 -9.808 1.00 0.00 C ATOM 898 CG ASN A 103 -17.228 24.256 -8.669 1.00 0.00 C ATOM 899 OD1 ASN A 103 -17.357 23.252 -7.969 1.00 0.00 O ATOM 900 ND2 ASN A 103 -17.944 25.358 -8.476 1.00 0.00 N ATOM 0 H ASN A 103 -13.964 26.234 -9.534 1.00 0.00 H new ATOM 0 HA ASN A 103 -14.677 23.624 -8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -16.415 25.167 -10.426 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.377 23.415 -10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -18.632 25.394 -7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -17.805 26.168 -9.080 1.00 0.00 H new ATOM 907 N LYS A 104 -13.611 24.757 -11.393 1.00 0.00 N ATOM 908 CA LYS A 104 -12.734 24.455 -12.518 1.00 0.00 C ATOM 909 C LYS A 104 -13.302 23.316 -13.359 1.00 0.00 C ATOM 910 O LYS A 104 -13.657 22.260 -12.833 1.00 0.00 O ATOM 911 CB LYS A 104 -11.332 24.093 -12.017 1.00 0.00 C ATOM 912 CG LYS A 104 -10.252 25.054 -12.488 1.00 0.00 C ATOM 913 CD LYS A 104 -8.870 24.602 -12.041 1.00 0.00 C ATOM 914 CE LYS A 104 -8.189 23.757 -13.106 1.00 0.00 C ATOM 915 NZ LYS A 104 -8.161 24.443 -14.427 1.00 0.00 N ATOM 0 H LYS A 104 -14.019 25.691 -11.417 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.667 25.344 -13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.338 24.072 -10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.083 23.086 -12.353 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.278 25.128 -13.575 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.454 26.051 -12.096 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.255 25.474 -11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.954 24.028 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.170 23.531 -12.793 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.711 22.805 -13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.220 24.332 -14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.879 24.023 -15.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.365 25.455 -14.297 1.00 0.00 H new ATOM 929 N ASP A 105 -13.382 23.535 -14.667 1.00 0.00 N ATOM 930 CA ASP A 105 -13.908 22.527 -15.581 1.00 0.00 C ATOM 931 C ASP A 105 -15.349 22.172 -15.231 1.00 0.00 C ATOM 932 O ASP A 105 -15.598 21.312 -14.386 1.00 0.00 O ATOM 933 CB ASP A 105 -13.036 21.272 -15.542 1.00 0.00 C ATOM 934 CG ASP A 105 -11.920 21.312 -16.568 1.00 0.00 C ATOM 935 OD1 ASP A 105 -12.223 21.267 -17.779 1.00 0.00 O ATOM 936 OD2 ASP A 105 -10.742 21.386 -16.159 1.00 0.00 O ATOM 0 H ASP A 105 -13.089 24.402 -15.118 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.892 22.942 -16.589 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.607 21.162 -14.546 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.658 20.395 -15.720 1.00 0.00 H new ATOM 941 N ALA A 106 -16.293 22.840 -15.884 1.00 0.00 N ATOM 942 CA ALA A 106 -17.709 22.594 -15.642 1.00 0.00 C ATOM 943 C ALA A 106 -18.262 21.556 -16.613 1.00 0.00 C ATOM 944 O ALA A 106 -19.492 21.342 -16.613 1.00 0.00 O ATOM 945 CB ALA A 106 -18.493 23.893 -15.751 1.00 0.00 C ATOM 946 OXT ALA A 106 -17.459 20.966 -17.366 1.00 0.00 O ATOM 0 H ALA A 106 -16.103 23.556 -16.585 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.817 22.199 -14.632 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -19.550 23.697 -15.568 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.123 24.604 -15.013 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -18.369 24.310 -16.750 1.00 0.00 H new TER 952 ALA A 106 ATOM 953 N THR B 50 -0.241 -37.073 9.096 1.00 0.00 N ATOM 954 CA THR B 50 -0.471 -37.349 7.653 1.00 0.00 C ATOM 955 C THR B 50 0.617 -36.713 6.792 1.00 0.00 C ATOM 956 O THR B 50 1.656 -36.292 7.299 1.00 0.00 O ATOM 957 CB THR B 50 -1.845 -36.800 7.263 1.00 0.00 C ATOM 958 OG1 THR B 50 -2.674 -36.658 8.403 1.00 0.00 O ATOM 959 CG2 THR B 50 -2.578 -37.674 6.269 1.00 0.00 C ATOM 0 HA THR B 50 -0.437 -38.425 7.483 1.00 0.00 H new ATOM 0 HB THR B 50 -1.647 -35.834 6.798 1.00 0.00 H new ATOM 0 HG1 THR B 50 -2.166 -36.892 9.208 1.00 0.00 H new ATOM 0 HG21 THR B 50 -3.545 -37.228 6.035 1.00 0.00 H new ATOM 0 HG22 THR B 50 -1.988 -37.761 5.356 1.00 0.00 H new ATOM 0 HG23 THR B 50 -2.730 -38.664 6.698 1.00 0.00 H new ATOM 969 N ARG B 51 0.371 -36.649 5.487 1.00 0.00 N ATOM 970 CA ARG B 51 1.330 -36.067 4.555 1.00 0.00 C ATOM 971 C ARG B 51 1.548 -34.584 4.849 1.00 0.00 C ATOM 972 O ARG B 51 0.912 -34.017 5.736 1.00 0.00 O ATOM 973 CB ARG B 51 0.845 -36.246 3.115 1.00 0.00 C ATOM 974 CG ARG B 51 1.050 -37.652 2.574 1.00 0.00 C ATOM 975 CD ARG B 51 2.191 -37.703 1.569 1.00 0.00 C ATOM 976 NE ARG B 51 2.455 -39.064 1.110 1.00 0.00 N ATOM 977 CZ ARG B 51 3.149 -39.960 1.808 1.00 0.00 C ATOM 978 NH1 ARG B 51 3.651 -39.644 2.994 1.00 0.00 N ATOM 979 NH2 ARG B 51 3.341 -41.178 1.317 1.00 0.00 N ATOM 0 H ARG B 51 -0.485 -36.993 5.051 1.00 0.00 H new ATOM 0 HA ARG B 51 2.280 -36.586 4.680 1.00 0.00 H new ATOM 0 HB2 ARG B 51 -0.215 -35.997 3.064 1.00 0.00 H new ATOM 0 HB3 ARG B 51 1.370 -35.539 2.473 1.00 0.00 H new ATOM 0 HG2 ARG B 51 1.260 -38.333 3.399 1.00 0.00 H new ATOM 0 HG3 ARG B 51 0.131 -37.998 2.101 1.00 0.00 H new ATOM 0 HD2 ARG B 51 1.949 -37.072 0.714 1.00 0.00 H new ATOM 0 HD3 ARG B 51 3.093 -37.292 2.023 1.00 0.00 H new ATOM 0 HE ARG B 51 2.086 -39.344 0.201 1.00 0.00 H new ATOM 0 HH11 ARG B 51 3.506 -38.710 3.377 1.00 0.00 H new ATOM 0 HH12 ARG B 51 4.182 -40.335 3.524 1.00 0.00 H new ATOM 0 HH21 ARG B 51 2.957 -41.427 0.405 1.00 0.00 H new ATOM 0 HH22 ARG B 51 3.873 -41.865 1.851 1.00 0.00 H new ATOM 993 N ALA B 52 2.451 -33.964 4.095 1.00 0.00 N ATOM 994 CA ALA B 52 2.754 -32.549 4.274 1.00 0.00 C ATOM 995 C ALA B 52 1.520 -31.685 4.020 1.00 0.00 C ATOM 996 O ALA B 52 1.436 -30.554 4.497 1.00 0.00 O ATOM 997 CB ALA B 52 3.889 -32.132 3.350 1.00 0.00 C ATOM 0 H ALA B 52 2.985 -34.419 3.355 1.00 0.00 H new ATOM 0 HA ALA B 52 3.065 -32.398 5.308 1.00 0.00 H new ATOM 0 HB1 ALA B 52 4.105 -31.073 3.494 1.00 0.00 H new ATOM 0 HB2 ALA B 52 4.779 -32.718 3.579 1.00 0.00 H new ATOM 0 HB3 ALA B 52 3.597 -32.305 2.314 1.00 0.00 H new ATOM 1003 N HIS B 53 0.567 -32.224 3.263 1.00 0.00 N ATOM 1004 CA HIS B 53 -0.661 -31.504 2.944 1.00 0.00 C ATOM 1005 C HIS B 53 -0.362 -30.254 2.120 1.00 0.00 C ATOM 1006 O HIS B 53 -0.517 -30.255 0.898 1.00 0.00 O ATOM 1007 CB HIS B 53 -1.407 -31.125 4.225 1.00 0.00 C ATOM 1008 CG HIS B 53 -1.985 -32.300 4.949 1.00 0.00 C ATOM 1009 ND1 HIS B 53 -2.433 -33.435 4.305 1.00 0.00 N ATOM 1010 CD2 HIS B 53 -2.188 -32.516 6.271 1.00 0.00 C ATOM 1011 CE1 HIS B 53 -2.886 -34.296 5.199 1.00 0.00 C ATOM 1012 NE2 HIS B 53 -2.748 -33.762 6.399 1.00 0.00 N ATOM 0 H HIS B 53 0.623 -33.159 2.859 1.00 0.00 H new ATOM 0 HA HIS B 53 -1.294 -32.163 2.350 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -0.724 -30.598 4.891 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -2.210 -30.431 3.977 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -1.953 -31.834 7.075 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -3.299 -35.271 4.985 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -3.015 -34.204 7.279 1.00 0.00 H new ATOM 1021 N LEU B 54 0.064 -29.190 2.792 1.00 0.00 N ATOM 1022 CA LEU B 54 0.382 -27.937 2.118 1.00 0.00 C ATOM 1023 C LEU B 54 1.872 -27.853 1.802 1.00 0.00 C ATOM 1024 O LEU B 54 2.268 -27.894 0.636 1.00 0.00 O ATOM 1025 CB LEU B 54 -0.038 -26.747 2.986 1.00 0.00 C ATOM 1026 CG LEU B 54 -1.413 -26.881 3.643 1.00 0.00 C ATOM 1027 CD1 LEU B 54 -1.386 -26.325 5.059 1.00 0.00 C ATOM 1028 CD2 LEU B 54 -2.469 -26.172 2.809 1.00 0.00 C ATOM 0 H LEU B 54 0.197 -29.170 3.803 1.00 0.00 H new ATOM 0 HA LEU B 54 -0.171 -27.906 1.179 1.00 0.00 H new ATOM 0 HB2 LEU B 54 0.709 -26.604 3.767 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -0.032 -25.847 2.371 1.00 0.00 H new ATOM 0 HG LEU B 54 -1.669 -27.939 3.697 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -2.373 -26.429 5.510 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -0.656 -26.876 5.652 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -1.110 -25.271 5.031 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -3.442 -26.276 3.289 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -2.217 -25.115 2.725 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -2.506 -26.616 1.814 1.00 0.00 H new ATOM 1040 N THR B 55 2.683 -27.740 2.857 1.00 0.00 N ATOM 1041 CA THR B 55 4.148 -27.654 2.754 1.00 0.00 C ATOM 1042 C THR B 55 4.630 -27.171 1.381 1.00 0.00 C ATOM 1043 O THR B 55 4.874 -25.982 1.184 1.00 0.00 O ATOM 1044 CB THR B 55 4.771 -29.009 3.095 1.00 0.00 C ATOM 1045 OG1 THR B 55 4.445 -29.389 4.420 1.00 0.00 O ATOM 1046 CG2 THR B 55 6.280 -29.032 2.971 1.00 0.00 C ATOM 0 H THR B 55 2.341 -27.705 3.817 1.00 0.00 H new ATOM 0 HA THR B 55 4.475 -26.903 3.473 1.00 0.00 H new ATOM 0 HB THR B 55 4.356 -29.705 2.366 1.00 0.00 H new ATOM 0 HG1 THR B 55 5.151 -29.967 4.777 1.00 0.00 H new ATOM 0 HG21 THR B 55 6.651 -30.024 3.228 1.00 0.00 H new ATOM 0 HG22 THR B 55 6.565 -28.792 1.946 1.00 0.00 H new ATOM 0 HG23 THR B 55 6.712 -28.296 3.649 1.00 0.00 H new ATOM 1054 N GLU B 56 4.784 -28.101 0.443 1.00 0.00 N ATOM 1055 CA GLU B 56 5.256 -27.763 -0.896 1.00 0.00 C ATOM 1056 C GLU B 56 4.318 -26.773 -1.586 1.00 0.00 C ATOM 1057 O GLU B 56 4.682 -25.620 -1.827 1.00 0.00 O ATOM 1058 CB GLU B 56 5.392 -29.031 -1.743 1.00 0.00 C ATOM 1059 CG GLU B 56 6.807 -29.587 -1.782 1.00 0.00 C ATOM 1060 CD GLU B 56 6.989 -30.641 -2.856 1.00 0.00 C ATOM 1061 OE1 GLU B 56 6.274 -31.664 -2.812 1.00 0.00 O ATOM 1062 OE2 GLU B 56 7.847 -30.444 -3.741 1.00 0.00 O ATOM 0 H GLU B 56 4.589 -29.092 0.585 1.00 0.00 H new ATOM 0 HA GLU B 56 6.232 -27.289 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU B 56 4.721 -29.795 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU B 56 5.067 -28.815 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU B 56 7.509 -28.772 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU B 56 7.051 -30.017 -0.811 1.00 0.00 H new ATOM 1069 N VAL B 57 3.116 -27.231 -1.914 1.00 0.00 N ATOM 1070 CA VAL B 57 2.145 -26.380 -2.592 1.00 0.00 C ATOM 1071 C VAL B 57 1.856 -25.108 -1.795 1.00 0.00 C ATOM 1072 O VAL B 57 1.427 -24.094 -2.361 1.00 0.00 O ATOM 1073 CB VAL B 57 0.831 -27.123 -2.879 1.00 0.00 C ATOM 1074 CG1 VAL B 57 -0.112 -26.236 -3.683 1.00 0.00 C ATOM 1075 CG2 VAL B 57 1.104 -28.428 -3.614 1.00 0.00 C ATOM 0 H VAL B 57 2.792 -28.179 -1.724 1.00 0.00 H new ATOM 0 HA VAL B 57 2.596 -26.100 -3.544 1.00 0.00 H new ATOM 0 HB VAL B 57 0.352 -27.363 -1.930 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -1.039 -26.775 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -0.331 -25.331 -3.117 1.00 0.00 H new ATOM 0 HG13 VAL B 57 0.359 -25.967 -4.629 1.00 0.00 H new ATOM 0 HG21 VAL B 57 0.162 -28.940 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.603 -28.216 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL B 57 1.743 -29.064 -3.001 1.00 0.00 H new ATOM 1085 N GLU B 58 2.122 -25.139 -0.490 1.00 0.00 N ATOM 1086 CA GLU B 58 1.908 -23.961 0.328 1.00 0.00 C ATOM 1087 C GLU B 58 2.957 -22.928 -0.046 1.00 0.00 C ATOM 1088 O GLU B 58 2.652 -21.764 -0.300 1.00 0.00 O ATOM 1089 CB GLU B 58 1.959 -24.312 1.823 1.00 0.00 C ATOM 1090 CG GLU B 58 3.251 -23.920 2.519 1.00 0.00 C ATOM 1091 CD GLU B 58 3.332 -24.442 3.940 1.00 0.00 C ATOM 1092 OE1 GLU B 58 2.294 -24.429 4.637 1.00 0.00 O ATOM 1093 OE2 GLU B 58 4.431 -24.864 4.358 1.00 0.00 O ATOM 0 H GLU B 58 2.479 -25.953 0.010 1.00 0.00 H new ATOM 0 HA GLU B 58 0.916 -23.550 0.143 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.126 -23.821 2.327 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.812 -25.386 1.936 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.097 -24.302 1.947 1.00 0.00 H new ATOM 0 HG3 GLU B 58 3.338 -22.834 2.530 1.00 0.00 H new ATOM 1100 N SER B 59 4.191 -23.390 -0.146 1.00 0.00 N ATOM 1101 CA SER B 59 5.281 -22.527 -0.556 1.00 0.00 C ATOM 1102 C SER B 59 5.091 -22.149 -2.020 1.00 0.00 C ATOM 1103 O SER B 59 5.691 -21.197 -2.512 1.00 0.00 O ATOM 1104 CB SER B 59 6.627 -23.228 -0.359 1.00 0.00 C ATOM 1105 OG SER B 59 7.620 -22.315 0.078 1.00 0.00 O ATOM 0 H SER B 59 4.461 -24.354 0.050 1.00 0.00 H new ATOM 0 HA SER B 59 5.278 -21.626 0.058 1.00 0.00 H new ATOM 0 HB2 SER B 59 6.519 -24.030 0.372 1.00 0.00 H new ATOM 0 HB3 SER B 59 6.940 -23.690 -1.295 1.00 0.00 H new ATOM 0 HG SER B 59 8.470 -22.788 0.198 1.00 0.00 H new ATOM 1111 N ARG B 60 4.246 -22.917 -2.711 1.00 0.00 N ATOM 1112 CA ARG B 60 3.968 -22.681 -4.116 1.00 0.00 C ATOM 1113 C ARG B 60 3.088 -21.466 -4.312 1.00 0.00 C ATOM 1114 O ARG B 60 3.566 -20.415 -4.742 1.00 0.00 O ATOM 1115 CB ARG B 60 3.289 -23.900 -4.739 1.00 0.00 C ATOM 1116 CG ARG B 60 4.264 -24.982 -5.180 1.00 0.00 C ATOM 1117 CD ARG B 60 4.453 -24.985 -6.689 1.00 0.00 C ATOM 1118 NE ARG B 60 5.862 -25.070 -7.065 1.00 0.00 N ATOM 1119 CZ ARG B 60 6.562 -26.203 -7.065 1.00 0.00 C ATOM 1120 NH1 ARG B 60 5.992 -27.344 -6.702 1.00 0.00 N ATOM 1121 NH2 ARG B 60 7.837 -26.193 -7.429 1.00 0.00 N ATOM 0 H ARG B 60 3.744 -23.710 -2.312 1.00 0.00 H new ATOM 0 HA ARG B 60 4.923 -22.501 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG B 60 2.590 -24.324 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG B 60 2.703 -23.578 -5.600 1.00 0.00 H new ATOM 0 HG2 ARG B 60 5.226 -24.826 -4.693 1.00 0.00 H new ATOM 0 HG3 ARG B 60 3.898 -25.956 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG B 60 3.912 -25.827 -7.120 1.00 0.00 H new ATOM 0 HD3 ARG B 60 4.020 -24.078 -7.110 1.00 0.00 H new ATOM 0 HE ARG B 60 6.337 -24.212 -7.344 1.00 0.00 H new ATOM 0 HH11 ARG B 60 5.012 -27.357 -6.421 1.00 0.00 H new ATOM 0 HH12 ARG B 60 6.534 -28.208 -6.704 1.00 0.00 H new ATOM 0 HH21 ARG B 60 8.281 -25.318 -7.709 1.00 0.00 H new ATOM 0 HH22 ARG B 60 8.374 -27.060 -7.429 1.00 0.00 H new ATOM 1135 N LEU B 61 1.796 -21.599 -4.018 1.00 0.00 N ATOM 1136 CA LEU B 61 0.900 -20.472 -4.201 1.00 0.00 C ATOM 1137 C LEU B 61 1.343 -19.305 -3.334 1.00 0.00 C ATOM 1138 O LEU B 61 1.171 -18.141 -3.701 1.00 0.00 O ATOM 1139 CB LEU B 61 -0.543 -20.875 -3.934 1.00 0.00 C ATOM 1140 CG LEU B 61 -1.259 -21.426 -5.168 1.00 0.00 C ATOM 1141 CD1 LEU B 61 -1.487 -20.324 -6.192 1.00 0.00 C ATOM 1142 CD2 LEU B 61 -0.456 -22.564 -5.786 1.00 0.00 C ATOM 0 H LEU B 61 1.361 -22.451 -3.663 1.00 0.00 H new ATOM 0 HA LEU B 61 0.947 -20.146 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -0.562 -21.628 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -1.091 -20.010 -3.562 1.00 0.00 H new ATOM 0 HG LEU B 61 -2.229 -21.813 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -1.998 -20.736 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -2.100 -19.538 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -0.527 -19.907 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -0.980 -22.945 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU B 61 0.527 -22.197 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -0.340 -23.366 -5.056 1.00 0.00 H new ATOM 1154 N GLU B 62 1.971 -19.621 -2.208 1.00 0.00 N ATOM 1155 CA GLU B 62 2.492 -18.585 -1.336 1.00 0.00 C ATOM 1156 C GLU B 62 3.623 -17.863 -2.059 1.00 0.00 C ATOM 1157 O GLU B 62 3.749 -16.639 -1.975 1.00 0.00 O ATOM 1158 CB GLU B 62 2.990 -19.175 -0.018 1.00 0.00 C ATOM 1159 CG GLU B 62 3.479 -18.129 0.972 1.00 0.00 C ATOM 1160 CD GLU B 62 4.703 -18.584 1.744 1.00 0.00 C ATOM 1161 OE1 GLU B 62 5.765 -18.775 1.114 1.00 0.00 O ATOM 1162 OE2 GLU B 62 4.599 -18.751 2.976 1.00 0.00 O ATOM 0 H GLU B 62 2.129 -20.575 -1.883 1.00 0.00 H new ATOM 0 HA GLU B 62 1.695 -17.881 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU B 62 2.185 -19.749 0.441 1.00 0.00 H new ATOM 0 HB3 GLU B 62 3.801 -19.873 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU B 62 3.713 -17.209 0.437 1.00 0.00 H new ATOM 0 HG3 GLU B 62 2.678 -17.895 1.673 1.00 0.00 H new ATOM 1169 N ARG B 63 4.425 -18.631 -2.808 1.00 0.00 N ATOM 1170 CA ARG B 63 5.517 -18.049 -3.578 1.00 0.00 C ATOM 1171 C ARG B 63 4.941 -17.177 -4.686 1.00 0.00 C ATOM 1172 O ARG B 63 5.561 -16.203 -5.114 1.00 0.00 O ATOM 1173 CB ARG B 63 6.407 -19.147 -4.170 1.00 0.00 C ATOM 1174 CG ARG B 63 7.444 -18.631 -5.158 1.00 0.00 C ATOM 1175 CD ARG B 63 8.176 -19.773 -5.847 1.00 0.00 C ATOM 1176 NE ARG B 63 8.386 -19.512 -7.270 1.00 0.00 N ATOM 1177 CZ ARG B 63 9.315 -18.686 -7.743 1.00 0.00 C ATOM 1178 NH1 ARG B 63 10.122 -18.036 -6.911 1.00 0.00 N ATOM 1179 NH2 ARG B 63 9.441 -18.508 -9.051 1.00 0.00 N ATOM 0 H ARG B 63 4.336 -19.644 -2.893 1.00 0.00 H new ATOM 0 HA ARG B 63 6.133 -17.437 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG B 63 6.918 -19.665 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG B 63 5.777 -19.882 -4.670 1.00 0.00 H new ATOM 0 HG2 ARG B 63 6.956 -18.007 -5.906 1.00 0.00 H new ATOM 0 HG3 ARG B 63 8.163 -18.000 -4.636 1.00 0.00 H new ATOM 0 HD2 ARG B 63 9.139 -19.931 -5.362 1.00 0.00 H new ATOM 0 HD3 ARG B 63 7.605 -20.694 -5.728 1.00 0.00 H new ATOM 0 HE ARG B 63 7.785 -19.992 -7.940 1.00 0.00 H new ATOM 0 HH11 ARG B 63 10.031 -18.169 -5.904 1.00 0.00 H new ATOM 0 HH12 ARG B 63 10.833 -17.404 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG B 63 8.825 -19.005 -9.695 1.00 0.00 H new ATOM 0 HH22 ARG B 63 10.154 -17.874 -9.413 1.00 0.00 H new ATOM 1193 N LEU B 64 3.732 -17.521 -5.128 1.00 0.00 N ATOM 1194 CA LEU B 64 3.051 -16.758 -6.164 1.00 0.00 C ATOM 1195 C LEU B 64 2.511 -15.464 -5.574 1.00 0.00 C ATOM 1196 O LEU B 64 2.363 -14.456 -6.262 1.00 0.00 O ATOM 1197 CB LEU B 64 1.922 -17.595 -6.786 1.00 0.00 C ATOM 1198 CG LEU B 64 0.674 -16.815 -7.220 1.00 0.00 C ATOM 1199 CD1 LEU B 64 0.019 -17.484 -8.417 1.00 0.00 C ATOM 1200 CD2 LEU B 64 -0.311 -16.703 -6.064 1.00 0.00 C ATOM 0 H LEU B 64 3.207 -18.324 -4.782 1.00 0.00 H new ATOM 0 HA LEU B 64 3.759 -16.510 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU B 64 2.320 -18.119 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU B 64 1.620 -18.355 -6.066 1.00 0.00 H new ATOM 0 HG LEU B 64 0.978 -15.810 -7.512 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.865 -16.918 -8.712 1.00 0.00 H new ATOM 0 HD12 LEU B 64 0.724 -17.515 -9.248 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -0.273 -18.500 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -1.191 -16.147 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -0.610 -17.701 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU B 64 0.162 -16.181 -5.232 1.00 0.00 H new ATOM 1212 N GLU B 65 2.236 -15.514 -4.282 1.00 0.00 N ATOM 1213 CA GLU B 65 1.728 -14.363 -3.550 1.00 0.00 C ATOM 1214 C GLU B 65 2.860 -13.394 -3.233 1.00 0.00 C ATOM 1215 O GLU B 65 2.650 -12.184 -3.143 1.00 0.00 O ATOM 1216 CB GLU B 65 1.053 -14.816 -2.255 1.00 0.00 C ATOM 1217 CG GLU B 65 0.464 -13.674 -1.442 1.00 0.00 C ATOM 1218 CD GLU B 65 1.406 -13.181 -0.362 1.00 0.00 C ATOM 1219 OE1 GLU B 65 2.074 -14.023 0.275 1.00 0.00 O ATOM 1220 OE2 GLU B 65 1.480 -11.951 -0.153 1.00 0.00 O ATOM 0 H GLU B 65 2.358 -16.350 -3.711 1.00 0.00 H new ATOM 0 HA GLU B 65 0.993 -13.854 -4.174 1.00 0.00 H new ATOM 0 HB2 GLU B 65 0.261 -15.525 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU B 65 1.781 -15.349 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU B 65 0.217 -12.848 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU B 65 -0.469 -14.003 -0.983 1.00 0.00 H new ATOM 1227 N GLN B 66 4.064 -13.935 -3.068 1.00 0.00 N ATOM 1228 CA GLN B 66 5.235 -13.118 -2.767 1.00 0.00 C ATOM 1229 C GLN B 66 5.623 -12.268 -3.973 1.00 0.00 C ATOM 1230 O GLN B 66 6.148 -11.165 -3.824 1.00 0.00 O ATOM 1231 CB GLN B 66 6.409 -14.008 -2.349 1.00 0.00 C ATOM 1232 CG GLN B 66 6.824 -13.829 -0.898 1.00 0.00 C ATOM 1233 CD GLN B 66 7.153 -15.144 -0.220 1.00 0.00 C ATOM 1234 OE1 GLN B 66 6.754 -15.386 0.920 1.00 0.00 O ATOM 1235 NE2 GLN B 66 7.884 -16.003 -0.919 1.00 0.00 N ATOM 0 H GLN B 66 4.254 -14.935 -3.138 1.00 0.00 H new ATOM 0 HA GLN B 66 4.986 -12.452 -1.941 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.140 -15.051 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN B 66 7.263 -13.793 -2.991 1.00 0.00 H new ATOM 0 HG2 GLN B 66 7.693 -13.173 -0.851 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.021 -13.334 -0.352 1.00 0.00 H new ATOM 0 HE21 GLN B 66 8.193 -15.761 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN B 66 8.136 -16.905 -0.515 1.00 0.00 H new ATOM 1244 N LEU B 67 5.362 -12.791 -5.167 1.00 0.00 N ATOM 1245 CA LEU B 67 5.681 -12.083 -6.400 1.00 0.00 C ATOM 1246 C LEU B 67 4.520 -11.194 -6.848 1.00 0.00 C ATOM 1247 O LEU B 67 4.672 -10.374 -7.755 1.00 0.00 O ATOM 1248 CB LEU B 67 6.029 -13.079 -7.509 1.00 0.00 C ATOM 1249 CG LEU B 67 7.146 -12.633 -8.454 1.00 0.00 C ATOM 1250 CD1 LEU B 67 8.493 -13.145 -7.966 1.00 0.00 C ATOM 1251 CD2 LEU B 67 6.873 -13.116 -9.871 1.00 0.00 C ATOM 0 H LEU B 67 4.930 -13.704 -5.306 1.00 0.00 H new ATOM 0 HA LEU B 67 6.543 -11.445 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.319 -14.024 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.132 -13.272 -8.097 1.00 0.00 H new ATOM 0 HG LEU B 67 7.174 -11.543 -8.463 1.00 0.00 H new ATOM 0 HD11 LEU B 67 9.276 -12.818 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU B 67 8.693 -12.750 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU B 67 8.476 -14.234 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU B 67 7.679 -12.789 -10.528 1.00 0.00 H new ATOM 0 HD22 LEU B 67 6.817 -14.205 -9.880 1.00 0.00 H new ATOM 0 HD23 LEU B 67 5.928 -12.701 -10.221 1.00 0.00 H new ATOM 1263 N PHE B 68 3.362 -11.362 -6.212 1.00 0.00 N ATOM 1264 CA PHE B 68 2.182 -10.573 -6.550 1.00 0.00 C ATOM 1265 C PHE B 68 1.730 -10.853 -7.979 1.00 0.00 C ATOM 1266 O PHE B 68 2.553 -11.055 -8.873 1.00 0.00 O ATOM 1267 CB PHE B 68 2.468 -9.080 -6.374 1.00 0.00 C ATOM 1268 CG PHE B 68 2.811 -8.695 -4.964 1.00 0.00 C ATOM 1269 CD1 PHE B 68 1.813 -8.376 -4.057 1.00 0.00 C ATOM 1270 CD2 PHE B 68 4.130 -8.651 -4.544 1.00 0.00 C ATOM 1271 CE1 PHE B 68 2.124 -8.021 -2.759 1.00 0.00 C ATOM 1272 CE2 PHE B 68 4.448 -8.296 -3.247 1.00 0.00 C ATOM 1273 CZ PHE B 68 3.443 -7.981 -2.353 1.00 0.00 C ATOM 0 H PHE B 68 3.217 -12.037 -5.461 1.00 0.00 H new ATOM 0 HA PHE B 68 1.379 -10.862 -5.872 1.00 0.00 H new ATOM 0 HB2 PHE B 68 3.292 -8.797 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE B 68 1.595 -8.511 -6.695 1.00 0.00 H new ATOM 0 HD1 PHE B 68 0.779 -8.405 -4.369 1.00 0.00 H new ATOM 0 HD2 PHE B 68 4.920 -8.897 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE B 68 1.336 -7.775 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE B 68 5.481 -8.265 -2.933 1.00 0.00 H new ATOM 0 HZ PHE B 68 3.689 -7.704 -1.338 1.00 0.00 H new ATOM 1283 N LEU B 69 0.418 -10.864 -8.187 1.00 0.00 N ATOM 1284 CA LEU B 69 -0.146 -11.118 -9.508 1.00 0.00 C ATOM 1285 C LEU B 69 -0.404 -9.812 -10.252 1.00 0.00 C ATOM 1286 O LEU B 69 0.200 -9.548 -11.291 1.00 0.00 O ATOM 1287 CB LEU B 69 -1.448 -11.913 -9.383 1.00 0.00 C ATOM 1288 CG LEU B 69 -1.733 -12.876 -10.537 1.00 0.00 C ATOM 1289 CD1 LEU B 69 -0.800 -14.076 -10.474 1.00 0.00 C ATOM 1290 CD2 LEU B 69 -3.186 -13.326 -10.507 1.00 0.00 C ATOM 0 H LEU B 69 -0.276 -10.700 -7.457 1.00 0.00 H new ATOM 0 HA LEU B 69 0.577 -11.702 -10.078 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -1.420 -12.482 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -2.278 -11.211 -9.302 1.00 0.00 H new ATOM 0 HG LEU B 69 -1.554 -12.352 -11.476 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -1.018 -14.750 -11.303 1.00 0.00 H new ATOM 0 HD12 LEU B 69 0.234 -13.737 -10.544 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -0.947 -14.602 -9.531 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -3.372 -14.011 -11.335 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -3.391 -13.833 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -3.838 -12.457 -10.601 1.00 0.00 H new ATOM 1302 N LEU B 70 -1.303 -8.997 -9.710 1.00 0.00 N ATOM 1303 CA LEU B 70 -1.642 -7.717 -10.319 1.00 0.00 C ATOM 1304 C LEU B 70 -1.982 -6.682 -9.253 1.00 0.00 C ATOM 1305 O LEU B 70 -2.831 -5.814 -9.462 1.00 0.00 O ATOM 1306 CB LEU B 70 -2.818 -7.880 -11.282 1.00 0.00 C ATOM 1307 CG LEU B 70 -2.628 -8.943 -12.365 1.00 0.00 C ATOM 1308 CD1 LEU B 70 -3.952 -9.246 -13.052 1.00 0.00 C ATOM 1309 CD2 LEU B 70 -1.590 -8.489 -13.379 1.00 0.00 C ATOM 0 H LEU B 70 -1.810 -9.201 -8.849 1.00 0.00 H new ATOM 0 HA LEU B 70 -0.773 -7.367 -10.876 1.00 0.00 H new ATOM 0 HB2 LEU B 70 -3.709 -8.127 -10.704 1.00 0.00 H new ATOM 0 HB3 LEU B 70 -3.007 -6.921 -11.765 1.00 0.00 H new ATOM 0 HG LEU B 70 -2.270 -9.858 -11.893 1.00 0.00 H new ATOM 0 HD11 LEU B 70 -3.798 -10.004 -13.820 1.00 0.00 H new ATOM 0 HD12 LEU B 70 -4.668 -9.614 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU B 70 -4.339 -8.337 -13.512 1.00 0.00 H new ATOM 0 HD21 LEU B 70 -1.467 -9.257 -14.143 1.00 0.00 H new ATOM 0 HD22 LEU B 70 -1.920 -7.562 -13.847 1.00 0.00 H new ATOM 0 HD23 LEU B 70 -0.638 -8.322 -12.875 1.00 0.00 H new ATOM 1321 N ILE B 71 -1.316 -6.781 -8.107 1.00 0.00 N ATOM 1322 CA ILE B 71 -1.549 -5.854 -7.006 1.00 0.00 C ATOM 1323 C ILE B 71 -0.633 -4.639 -7.106 1.00 0.00 C ATOM 1324 O ILE B 71 -1.102 -3.504 -7.181 1.00 0.00 O ATOM 1325 CB ILE B 71 -1.329 -6.539 -5.642 1.00 0.00 C ATOM 1326 CG1 ILE B 71 -2.071 -7.875 -5.591 1.00 0.00 C ATOM 1327 CG2 ILE B 71 -1.787 -5.628 -4.513 1.00 0.00 C ATOM 1328 CD1 ILE B 71 -3.575 -7.734 -5.672 1.00 0.00 C ATOM 0 H ILE B 71 -0.611 -7.493 -7.917 1.00 0.00 H new ATOM 0 HA ILE B 71 -2.587 -5.529 -7.079 1.00 0.00 H new ATOM 0 HB ILE B 71 -0.264 -6.733 -5.517 1.00 0.00 H new ATOM 0 HG12 ILE B 71 -1.728 -8.503 -6.413 1.00 0.00 H new ATOM 0 HG13 ILE B 71 -1.812 -8.390 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.626 -6.125 -3.556 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -1.217 -4.700 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -2.847 -5.406 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE B 71 -4.036 -8.721 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE B 71 -3.930 -7.132 -4.835 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -3.845 -7.247 -6.609 1.00 0.00 H new ATOM 1340 N PHE B 72 0.674 -4.885 -7.102 1.00 0.00 N ATOM 1341 CA PHE B 72 1.655 -3.809 -7.189 1.00 0.00 C ATOM 1342 C PHE B 72 1.957 -3.461 -8.647 1.00 0.00 C ATOM 1343 O PHE B 72 2.545 -4.262 -9.373 1.00 0.00 O ATOM 1344 CB PHE B 72 2.947 -4.212 -6.472 1.00 0.00 C ATOM 1345 CG PHE B 72 3.810 -3.043 -6.089 1.00 0.00 C ATOM 1346 CD1 PHE B 72 3.490 -2.259 -4.991 1.00 0.00 C ATOM 1347 CD2 PHE B 72 4.940 -2.728 -6.827 1.00 0.00 C ATOM 1348 CE1 PHE B 72 4.282 -1.185 -4.638 1.00 0.00 C ATOM 1349 CE2 PHE B 72 5.735 -1.654 -6.477 1.00 0.00 C ATOM 1350 CZ PHE B 72 5.405 -0.881 -5.380 1.00 0.00 C ATOM 0 H PHE B 72 1.078 -5.820 -7.039 1.00 0.00 H new ATOM 0 HA PHE B 72 1.235 -2.928 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE B 72 2.694 -4.776 -5.574 1.00 0.00 H new ATOM 0 HB3 PHE B 72 3.518 -4.879 -7.117 1.00 0.00 H new ATOM 0 HD1 PHE B 72 2.612 -2.491 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE B 72 5.202 -3.329 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE B 72 4.023 -0.582 -3.780 1.00 0.00 H new ATOM 0 HE2 PHE B 72 6.613 -1.419 -7.060 1.00 0.00 H new ATOM 0 HZ PHE B 72 6.025 -0.041 -5.104 1.00 0.00 H new ATOM 1360 N PRO B 73 1.556 -2.256 -9.102 1.00 0.00 N ATOM 1361 CA PRO B 73 1.790 -1.816 -10.482 1.00 0.00 C ATOM 1362 C PRO B 73 3.272 -1.785 -10.836 1.00 0.00 C ATOM 1363 O PRO B 73 4.092 -2.420 -10.173 1.00 0.00 O ATOM 1364 CB PRO B 73 1.204 -0.399 -10.519 1.00 0.00 C ATOM 1365 CG PRO B 73 0.260 -0.343 -9.367 1.00 0.00 C ATOM 1366 CD PRO B 73 0.846 -1.235 -8.311 1.00 0.00 C ATOM 0 HA PRO B 73 1.336 -2.495 -11.203 1.00 0.00 H new ATOM 0 HB2 PRO B 73 1.986 0.354 -10.426 1.00 0.00 H new ATOM 0 HB3 PRO B 73 0.689 -0.209 -11.461 1.00 0.00 H new ATOM 0 HG2 PRO B 73 0.152 0.678 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO B 73 -0.733 -0.684 -9.659 1.00 0.00 H new ATOM 0 HD2 PRO B 73 1.523 -0.691 -7.652 1.00 0.00 H new ATOM 0 HD3 PRO B 73 0.074 -1.676 -7.681 1.00 0.00 H new ATOM 1374 N ARG B 74 3.611 -1.045 -11.889 1.00 0.00 N ATOM 1375 CA ARG B 74 4.996 -0.937 -12.333 1.00 0.00 C ATOM 1376 C ARG B 74 5.372 0.512 -12.628 1.00 0.00 C ATOM 1377 O ARG B 74 4.503 1.375 -12.774 1.00 0.00 O ATOM 1378 CB ARG B 74 5.223 -1.797 -13.578 1.00 0.00 C ATOM 1379 CG ARG B 74 5.863 -3.141 -13.277 1.00 0.00 C ATOM 1380 CD ARG B 74 7.344 -2.995 -12.970 1.00 0.00 C ATOM 1381 NE ARG B 74 7.581 -2.633 -11.574 1.00 0.00 N ATOM 1382 CZ ARG B 74 8.719 -2.105 -11.128 1.00 0.00 C ATOM 1383 NH1 ARG B 74 9.726 -1.878 -11.963 1.00 0.00 N ATOM 1384 NH2 ARG B 74 8.849 -1.805 -9.843 1.00 0.00 N ATOM 0 H ARG B 74 2.946 -0.512 -12.449 1.00 0.00 H new ATOM 0 HA ARG B 74 5.634 -1.297 -11.526 1.00 0.00 H new ATOM 0 HB2 ARG B 74 4.267 -1.962 -14.075 1.00 0.00 H new ATOM 0 HB3 ARG B 74 5.856 -1.250 -14.277 1.00 0.00 H new ATOM 0 HG2 ARG B 74 5.358 -3.604 -12.429 1.00 0.00 H new ATOM 0 HG3 ARG B 74 5.731 -3.807 -14.129 1.00 0.00 H new ATOM 0 HD2 ARG B 74 7.855 -3.932 -13.193 1.00 0.00 H new ATOM 0 HD3 ARG B 74 7.776 -2.234 -13.620 1.00 0.00 H new ATOM 0 HE ARG B 74 6.831 -2.794 -10.902 1.00 0.00 H new ATOM 0 HH11 ARG B 74 9.630 -2.108 -12.952 1.00 0.00 H new ATOM 0 HH12 ARG B 74 10.595 -1.473 -11.615 1.00 0.00 H new ATOM 0 HH21 ARG B 74 8.078 -1.979 -9.198 1.00 0.00 H new ATOM 0 HH22 ARG B 74 9.720 -1.400 -9.499 1.00 0.00 H new ATOM 1398 N GLU B 75 6.677 0.764 -12.716 1.00 0.00 N ATOM 1399 CA GLU B 75 7.192 2.103 -12.992 1.00 0.00 C ATOM 1400 C GLU B 75 6.546 2.695 -14.240 1.00 0.00 C ATOM 1401 O GLU B 75 6.979 2.433 -15.363 1.00 0.00 O ATOM 1402 CB GLU B 75 8.712 2.059 -13.162 1.00 0.00 C ATOM 1403 CG GLU B 75 9.472 2.150 -11.850 1.00 0.00 C ATOM 1404 CD GLU B 75 10.752 2.956 -11.970 1.00 0.00 C ATOM 1405 OE1 GLU B 75 10.691 4.091 -12.491 1.00 0.00 O ATOM 1406 OE2 GLU B 75 11.812 2.452 -11.547 1.00 0.00 O ATOM 0 H GLU B 75 7.400 0.054 -12.599 1.00 0.00 H new ATOM 0 HA GLU B 75 6.943 2.741 -12.144 1.00 0.00 H new ATOM 0 HB2 GLU B 75 8.986 1.133 -13.668 1.00 0.00 H new ATOM 0 HB3 GLU B 75 9.021 2.880 -13.809 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.831 2.604 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU B 75 9.711 1.145 -11.503 1.00 0.00 H new ATOM 1413 N ASP B 76 5.510 3.498 -14.029 1.00 0.00 N ATOM 1414 CA ASP B 76 4.790 4.139 -15.123 1.00 0.00 C ATOM 1415 C ASP B 76 3.641 4.979 -14.578 1.00 0.00 C ATOM 1416 O ASP B 76 3.361 6.070 -15.074 1.00 0.00 O ATOM 1417 CB ASP B 76 4.251 3.091 -16.097 1.00 0.00 C ATOM 1418 CG ASP B 76 4.130 3.623 -17.512 1.00 0.00 C ATOM 1419 OD1 ASP B 76 5.173 3.743 -18.191 1.00 0.00 O ATOM 1420 OD2 ASP B 76 2.996 3.918 -17.942 1.00 0.00 O ATOM 0 H ASP B 76 5.147 3.722 -13.102 1.00 0.00 H new ATOM 0 HA ASP B 76 5.484 4.789 -15.656 1.00 0.00 H new ATOM 0 HB2 ASP B 76 4.910 2.223 -16.094 1.00 0.00 H new ATOM 0 HB3 ASP B 76 3.274 2.750 -15.755 1.00 0.00 H new ATOM 1425 N LEU B 77 2.987 4.456 -13.548 1.00 0.00 N ATOM 1426 CA LEU B 77 1.867 5.140 -12.913 1.00 0.00 C ATOM 1427 C LEU B 77 1.311 4.301 -11.769 1.00 0.00 C ATOM 1428 O LEU B 77 1.351 3.070 -11.816 1.00 0.00 O ATOM 1429 CB LEU B 77 0.766 5.425 -13.938 1.00 0.00 C ATOM 1430 CG LEU B 77 0.007 6.736 -13.726 1.00 0.00 C ATOM 1431 CD1 LEU B 77 0.880 7.925 -14.096 1.00 0.00 C ATOM 1432 CD2 LEU B 77 -1.278 6.744 -14.540 1.00 0.00 C ATOM 0 H LEU B 77 3.215 3.553 -13.132 1.00 0.00 H new ATOM 0 HA LEU B 77 2.226 6.087 -12.510 1.00 0.00 H new ATOM 0 HB2 LEU B 77 1.211 5.438 -14.933 1.00 0.00 H new ATOM 0 HB3 LEU B 77 0.051 4.602 -13.919 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.253 6.817 -12.670 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.323 8.848 -13.939 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.773 7.929 -13.471 1.00 0.00 H new ATOM 0 HD13 LEU B 77 1.171 7.851 -15.144 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.806 7.684 -14.378 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.039 6.640 -15.598 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -1.911 5.914 -14.228 1.00 0.00 H new ATOM 1444 N ASP B 78 0.794 4.966 -10.744 1.00 0.00 N ATOM 1445 CA ASP B 78 0.229 4.271 -9.594 1.00 0.00 C ATOM 1446 C ASP B 78 -1.260 4.569 -9.459 1.00 0.00 C ATOM 1447 O ASP B 78 -1.656 5.659 -9.035 1.00 0.00 O ATOM 1448 CB ASP B 78 0.969 4.663 -8.313 1.00 0.00 C ATOM 1449 CG ASP B 78 1.379 3.453 -7.494 1.00 0.00 C ATOM 1450 OD1 ASP B 78 0.510 2.601 -7.215 1.00 0.00 O ATOM 1451 OD2 ASP B 78 2.571 3.356 -7.134 1.00 0.00 O ATOM 0 H ASP B 78 0.754 5.984 -10.685 1.00 0.00 H new ATOM 0 HA ASP B 78 0.351 3.199 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP B 78 1.856 5.242 -8.571 1.00 0.00 H new ATOM 0 HB3 ASP B 78 0.331 5.308 -7.710 1.00 0.00 H new ATOM 1456 N MET B 79 -2.081 3.592 -9.833 1.00 0.00 N ATOM 1457 CA MET B 79 -3.530 3.734 -9.773 1.00 0.00 C ATOM 1458 C MET B 79 -4.029 3.798 -8.334 1.00 0.00 C ATOM 1459 O MET B 79 -4.948 4.553 -8.020 1.00 0.00 O ATOM 1460 CB MET B 79 -4.200 2.568 -10.500 1.00 0.00 C ATOM 1461 CG MET B 79 -4.251 2.738 -12.011 1.00 0.00 C ATOM 1462 SD MET B 79 -5.923 2.604 -12.672 1.00 0.00 S ATOM 1463 CE MET B 79 -5.819 3.704 -14.083 1.00 0.00 C ATOM 0 H MET B 79 -1.763 2.688 -10.183 1.00 0.00 H new ATOM 0 HA MET B 79 -3.792 4.672 -10.263 1.00 0.00 H new ATOM 0 HB2 MET B 79 -3.664 1.648 -10.265 1.00 0.00 H new ATOM 0 HB3 MET B 79 -5.216 2.451 -10.122 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.837 3.710 -12.277 1.00 0.00 H new ATOM 0 HG3 MET B 79 -3.619 1.983 -12.479 1.00 0.00 H new ATOM 0 HE1 MET B 79 -6.780 3.728 -14.597 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.564 4.708 -13.744 1.00 0.00 H new ATOM 0 HE3 MET B 79 -5.050 3.346 -14.768 1.00 0.00 H new ATOM 1473 N ILE B 80 -3.428 2.996 -7.463 1.00 0.00 N ATOM 1474 CA ILE B 80 -3.825 2.953 -6.061 1.00 0.00 C ATOM 1475 C ILE B 80 -3.620 4.298 -5.368 1.00 0.00 C ATOM 1476 O ILE B 80 -4.496 4.775 -4.648 1.00 0.00 O ATOM 1477 CB ILE B 80 -3.038 1.871 -5.294 1.00 0.00 C ATOM 1478 CG1 ILE B 80 -3.114 0.532 -6.033 1.00 0.00 C ATOM 1479 CG2 ILE B 80 -3.565 1.731 -3.873 1.00 0.00 C ATOM 1480 CD1 ILE B 80 -1.791 0.090 -6.621 1.00 0.00 C ATOM 0 H ILE B 80 -2.663 2.366 -7.704 1.00 0.00 H new ATOM 0 HA ILE B 80 -4.888 2.711 -6.049 1.00 0.00 H new ATOM 0 HB ILE B 80 -1.993 2.176 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -3.470 -0.234 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -3.850 0.609 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -2.997 0.963 -3.348 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -3.459 2.682 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -4.617 1.448 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -1.920 -0.866 -7.129 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -1.442 0.837 -7.335 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -1.057 -0.020 -5.823 1.00 0.00 H new ATOM 1492 N LEU B 81 -2.453 4.894 -5.577 1.00 0.00 N ATOM 1493 CA LEU B 81 -2.126 6.176 -4.951 1.00 0.00 C ATOM 1494 C LEU B 81 -2.777 7.351 -5.679 1.00 0.00 C ATOM 1495 O LEU B 81 -3.006 8.403 -5.081 1.00 0.00 O ATOM 1496 CB LEU B 81 -0.605 6.394 -4.891 1.00 0.00 C ATOM 1497 CG LEU B 81 0.260 5.152 -5.126 1.00 0.00 C ATOM 1498 CD1 LEU B 81 1.705 5.549 -5.373 1.00 0.00 C ATOM 1499 CD2 LEU B 81 0.162 4.200 -3.946 1.00 0.00 C ATOM 0 H LEU B 81 -1.717 4.515 -6.173 1.00 0.00 H new ATOM 0 HA LEU B 81 -2.524 6.135 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -0.336 7.146 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -0.355 6.807 -3.914 1.00 0.00 H new ATOM 0 HG LEU B 81 -0.112 4.637 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU B 81 2.305 4.654 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU B 81 1.761 6.191 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU B 81 2.088 6.088 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU B 81 0.784 3.324 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU B 81 0.506 4.704 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -0.874 3.888 -3.815 1.00 0.00 H new ATOM 1511 N LYS B 82 -3.066 7.183 -6.965 1.00 0.00 N ATOM 1512 CA LYS B 82 -3.677 8.258 -7.744 1.00 0.00 C ATOM 1513 C LYS B 82 -5.200 8.277 -7.594 1.00 0.00 C ATOM 1514 O LYS B 82 -5.843 9.282 -7.895 1.00 0.00 O ATOM 1515 CB LYS B 82 -3.290 8.137 -9.220 1.00 0.00 C ATOM 1516 CG LYS B 82 -4.075 7.083 -9.978 1.00 0.00 C ATOM 1517 CD LYS B 82 -5.103 7.708 -10.906 1.00 0.00 C ATOM 1518 CE LYS B 82 -4.581 7.809 -12.330 1.00 0.00 C ATOM 1519 NZ LYS B 82 -5.636 7.495 -13.332 1.00 0.00 N ATOM 0 H LYS B 82 -2.890 6.324 -7.487 1.00 0.00 H new ATOM 0 HA LYS B 82 -3.296 9.201 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS B 82 -3.436 9.103 -9.704 1.00 0.00 H new ATOM 0 HB3 LYS B 82 -2.227 7.904 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS B 82 -3.389 6.465 -10.558 1.00 0.00 H new ATOM 0 HG3 LYS B 82 -4.577 6.424 -9.270 1.00 0.00 H new ATOM 0 HD2 LYS B 82 -6.016 7.112 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS B 82 -5.366 8.701 -10.543 1.00 0.00 H new ATOM 0 HE2 LYS B 82 -4.201 8.815 -12.507 1.00 0.00 H new ATOM 0 HE3 LYS B 82 -3.743 7.124 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 -5.193 7.292 -14.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 -6.177 6.665 -13.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 -6.276 8.309 -13.429 1.00 0.00 H new ATOM 1533 N MET B 83 -5.774 7.167 -7.138 1.00 0.00 N ATOM 1534 CA MET B 83 -7.220 7.075 -6.968 1.00 0.00 C ATOM 1535 C MET B 83 -7.619 7.089 -5.494 1.00 0.00 C ATOM 1536 O MET B 83 -8.752 7.436 -5.157 1.00 0.00 O ATOM 1537 CB MET B 83 -7.753 5.805 -7.629 1.00 0.00 C ATOM 1538 CG MET B 83 -8.028 5.960 -9.115 1.00 0.00 C ATOM 1539 SD MET B 83 -9.086 4.652 -9.764 1.00 0.00 S ATOM 1540 CE MET B 83 -7.867 3.407 -10.181 1.00 0.00 C ATOM 0 H MET B 83 -5.262 6.323 -6.881 1.00 0.00 H new ATOM 0 HA MET B 83 -7.659 7.950 -7.447 1.00 0.00 H new ATOM 0 HB2 MET B 83 -7.032 5.000 -7.484 1.00 0.00 H new ATOM 0 HB3 MET B 83 -8.673 5.503 -7.128 1.00 0.00 H new ATOM 0 HG2 MET B 83 -8.499 6.926 -9.295 1.00 0.00 H new ATOM 0 HG3 MET B 83 -7.083 5.961 -9.658 1.00 0.00 H new ATOM 0 HE1 MET B 83 -8.209 2.838 -11.046 1.00 0.00 H new ATOM 0 HE2 MET B 83 -6.919 3.891 -10.416 1.00 0.00 H new ATOM 0 HE3 MET B 83 -7.731 2.734 -9.335 1.00 0.00 H new ATOM 1550 N ASP B 84 -6.695 6.707 -4.620 1.00 0.00 N ATOM 1551 CA ASP B 84 -6.977 6.674 -3.188 1.00 0.00 C ATOM 1552 C ASP B 84 -7.399 8.049 -2.675 1.00 0.00 C ATOM 1553 O ASP B 84 -8.575 8.285 -2.405 1.00 0.00 O ATOM 1554 CB ASP B 84 -5.755 6.179 -2.413 1.00 0.00 C ATOM 1555 CG ASP B 84 -5.920 4.750 -1.934 1.00 0.00 C ATOM 1556 OD1 ASP B 84 -5.799 3.827 -2.766 1.00 0.00 O ATOM 1557 OD2 ASP B 84 -6.173 4.555 -0.727 1.00 0.00 O ATOM 0 H ASP B 84 -5.751 6.418 -4.874 1.00 0.00 H new ATOM 0 HA ASP B 84 -7.804 5.982 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP B 84 -4.872 6.248 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP B 84 -5.582 6.830 -1.556 1.00 0.00 H new ATOM 1562 N SER B 85 -6.432 8.951 -2.542 1.00 0.00 N ATOM 1563 CA SER B 85 -6.710 10.298 -2.056 1.00 0.00 C ATOM 1564 C SER B 85 -5.466 11.176 -2.124 1.00 0.00 C ATOM 1565 O SER B 85 -4.406 10.810 -1.616 1.00 0.00 O ATOM 1566 CB SER B 85 -7.232 10.246 -0.619 1.00 0.00 C ATOM 1567 OG SER B 85 -8.647 10.168 -0.591 1.00 0.00 O ATOM 0 H SER B 85 -5.452 8.775 -2.763 1.00 0.00 H new ATOM 0 HA SER B 85 -7.473 10.735 -2.700 1.00 0.00 H new ATOM 0 HB2 SER B 85 -6.807 9.383 -0.106 1.00 0.00 H new ATOM 0 HB3 SER B 85 -6.903 11.133 -0.077 1.00 0.00 H new ATOM 0 HG SER B 85 -8.945 9.423 -1.153 1.00 0.00 H new ATOM 1573 N LEU B 86 -5.608 12.338 -2.751 1.00 0.00 N ATOM 1574 CA LEU B 86 -4.502 13.278 -2.886 1.00 0.00 C ATOM 1575 C LEU B 86 -5.024 14.688 -3.144 1.00 0.00 C ATOM 1576 O LEU B 86 -4.361 15.499 -3.790 1.00 0.00 O ATOM 1577 CB LEU B 86 -3.572 12.849 -4.022 1.00 0.00 C ATOM 1578 CG LEU B 86 -4.279 12.453 -5.320 1.00 0.00 C ATOM 1579 CD1 LEU B 86 -3.350 12.640 -6.510 1.00 0.00 C ATOM 1580 CD2 LEU B 86 -4.767 11.014 -5.243 1.00 0.00 C ATOM 0 H LEU B 86 -6.481 12.652 -3.175 1.00 0.00 H new ATOM 0 HA LEU B 86 -3.940 13.279 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -2.883 13.666 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -2.971 12.006 -3.681 1.00 0.00 H new ATOM 0 HG LEU B 86 -5.144 13.102 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -3.869 12.354 -7.425 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -3.049 13.685 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -2.466 12.015 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -5.267 10.749 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -3.917 10.350 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -5.466 10.911 -4.413 1.00 0.00 H new ATOM 1592 N ARG B 87 -6.220 14.970 -2.637 1.00 0.00 N ATOM 1593 CA ARG B 87 -6.839 16.278 -2.812 1.00 0.00 C ATOM 1594 C ARG B 87 -6.599 17.172 -1.597 1.00 0.00 C ATOM 1595 O ARG B 87 -6.789 18.381 -1.666 1.00 0.00 O ATOM 1596 CB ARG B 87 -8.341 16.127 -3.057 1.00 0.00 C ATOM 1597 CG ARG B 87 -8.684 15.650 -4.459 1.00 0.00 C ATOM 1598 CD ARG B 87 -9.319 16.755 -5.287 1.00 0.00 C ATOM 1599 NE ARG B 87 -9.708 16.290 -6.616 1.00 0.00 N ATOM 1600 CZ ARG B 87 -10.459 16.995 -7.458 1.00 0.00 C ATOM 1601 NH1 ARG B 87 -10.907 18.196 -7.114 1.00 0.00 N ATOM 1602 NH2 ARG B 87 -10.765 16.498 -8.649 1.00 0.00 N ATOM 0 H ARG B 87 -6.781 14.308 -2.100 1.00 0.00 H new ATOM 0 HA ARG B 87 -6.379 16.750 -3.680 1.00 0.00 H new ATOM 0 HB2 ARG B 87 -8.750 15.423 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG B 87 -8.828 17.086 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG B 87 -7.780 15.297 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG B 87 -9.366 14.802 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG B 87 -10.196 17.139 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG B 87 -8.618 17.584 -5.384 1.00 0.00 H new ATOM 0 HE ARG B 87 -9.385 15.370 -6.916 1.00 0.00 H new ATOM 0 HH11 ARG B 87 -10.676 18.584 -6.199 1.00 0.00 H new ATOM 0 HH12 ARG B 87 -11.482 18.731 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG B 87 -10.425 15.575 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG B 87 -11.341 17.038 -9.295 1.00 0.00 H new ATOM 1616 N ASP B 88 -6.179 16.572 -0.485 1.00 0.00 N ATOM 1617 CA ASP B 88 -5.917 17.333 0.734 1.00 0.00 C ATOM 1618 C ASP B 88 -4.662 18.196 0.585 1.00 0.00 C ATOM 1619 O ASP B 88 -4.405 19.085 1.400 1.00 0.00 O ATOM 1620 CB ASP B 88 -5.758 16.387 1.924 1.00 0.00 C ATOM 1621 CG ASP B 88 -6.983 15.520 2.140 1.00 0.00 C ATOM 1622 OD1 ASP B 88 -8.090 15.950 1.757 1.00 0.00 O ATOM 1623 OD2 ASP B 88 -6.836 14.410 2.696 1.00 0.00 O ATOM 0 H ASP B 88 -6.014 15.569 -0.403 1.00 0.00 H new ATOM 0 HA ASP B 88 -6.768 17.991 0.909 1.00 0.00 H new ATOM 0 HB2 ASP B 88 -4.888 15.749 1.764 1.00 0.00 H new ATOM 0 HB3 ASP B 88 -5.565 16.970 2.825 1.00 0.00 H new ATOM 1628 N ILE B 89 -3.895 17.944 -0.473 1.00 0.00 N ATOM 1629 CA ILE B 89 -2.683 18.700 -0.741 1.00 0.00 C ATOM 1630 C ILE B 89 -3.031 19.940 -1.536 1.00 0.00 C ATOM 1631 O ILE B 89 -2.783 21.061 -1.100 1.00 0.00 O ATOM 1632 CB ILE B 89 -1.649 17.868 -1.521 1.00 0.00 C ATOM 1633 CG1 ILE B 89 -1.474 16.494 -0.872 1.00 0.00 C ATOM 1634 CG2 ILE B 89 -0.320 18.607 -1.593 1.00 0.00 C ATOM 1635 CD1 ILE B 89 -0.720 16.540 0.435 1.00 0.00 C ATOM 0 H ILE B 89 -4.096 17.217 -1.160 1.00 0.00 H new ATOM 0 HA ILE B 89 -2.240 18.973 0.217 1.00 0.00 H new ATOM 0 HB ILE B 89 -2.012 17.721 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -2.456 16.053 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -0.947 15.838 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE B 89 0.401 18.006 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -0.462 19.562 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE B 89 0.054 18.783 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -0.632 15.532 0.840 1.00 0.00 H new ATOM 0 HD12 ILE B 89 0.275 16.951 0.267 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -1.258 17.170 1.143 1.00 0.00 H new ATOM 1647 N GLU B 90 -3.649 19.724 -2.689 1.00 0.00 N ATOM 1648 CA GLU B 90 -4.084 20.825 -3.531 1.00 0.00 C ATOM 1649 C GLU B 90 -5.135 21.642 -2.785 1.00 0.00 C ATOM 1650 O GLU B 90 -5.392 22.797 -3.115 1.00 0.00 O ATOM 1651 CB GLU B 90 -4.661 20.289 -4.846 1.00 0.00 C ATOM 1652 CG GLU B 90 -5.297 21.359 -5.720 1.00 0.00 C ATOM 1653 CD GLU B 90 -5.825 20.803 -7.027 1.00 0.00 C ATOM 1654 OE1 GLU B 90 -6.867 20.116 -7.003 1.00 0.00 O ATOM 1655 OE2 GLU B 90 -5.195 21.055 -8.077 1.00 0.00 O ATOM 0 H GLU B 90 -3.859 18.798 -3.060 1.00 0.00 H new ATOM 0 HA GLU B 90 -3.231 21.462 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -3.865 19.800 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -5.407 19.527 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -6.113 21.832 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -4.562 22.136 -5.930 1.00 0.00 H new ATOM 1662 N ALA B 91 -5.730 21.024 -1.764 1.00 0.00 N ATOM 1663 CA ALA B 91 -6.746 21.673 -0.949 1.00 0.00 C ATOM 1664 C ALA B 91 -6.095 22.524 0.128 1.00 0.00 C ATOM 1665 O ALA B 91 -6.157 23.751 0.082 1.00 0.00 O ATOM 1666 CB ALA B 91 -7.666 20.636 -0.323 1.00 0.00 C ATOM 0 H ALA B 91 -5.520 20.066 -1.484 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.343 22.322 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -8.420 21.138 0.283 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -8.156 20.062 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -7.082 19.964 0.306 1.00 0.00 H new ATOM 1672 N LEU B 92 -5.451 21.871 1.093 1.00 0.00 N ATOM 1673 CA LEU B 92 -4.775 22.592 2.168 1.00 0.00 C ATOM 1674 C LEU B 92 -3.920 23.719 1.589 1.00 0.00 C ATOM 1675 O LEU B 92 -3.704 24.748 2.235 1.00 0.00 O ATOM 1676 CB LEU B 92 -3.904 21.640 2.993 1.00 0.00 C ATOM 1677 CG LEU B 92 -3.800 21.983 4.480 1.00 0.00 C ATOM 1678 CD1 LEU B 92 -3.386 20.762 5.285 1.00 0.00 C ATOM 1679 CD2 LEU B 92 -2.817 23.124 4.696 1.00 0.00 C ATOM 0 H LEU B 92 -5.383 20.855 1.153 1.00 0.00 H new ATOM 0 HA LEU B 92 -5.532 23.022 2.824 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -4.303 20.630 2.896 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -2.901 21.629 2.567 1.00 0.00 H new ATOM 0 HG LEU B 92 -4.782 22.304 4.827 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -3.318 21.028 6.340 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -4.127 19.973 5.157 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -2.416 20.408 4.937 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -2.755 23.355 5.759 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -1.833 22.830 4.331 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -3.157 24.005 4.153 1.00 0.00 H new ATOM 1691 N LEU B 93 -3.456 23.523 0.355 1.00 0.00 N ATOM 1692 CA LEU B 93 -2.645 24.522 -0.324 1.00 0.00 C ATOM 1693 C LEU B 93 -3.528 25.581 -0.974 1.00 0.00 C ATOM 1694 O LEU B 93 -3.215 26.770 -0.923 1.00 0.00 O ATOM 1695 CB LEU B 93 -1.744 23.872 -1.377 1.00 0.00 C ATOM 1696 CG LEU B 93 -0.365 23.438 -0.868 1.00 0.00 C ATOM 1697 CD1 LEU B 93 -0.225 21.923 -0.916 1.00 0.00 C ATOM 1698 CD2 LEU B 93 0.739 24.104 -1.675 1.00 0.00 C ATOM 0 H LEU B 93 -3.630 22.680 -0.192 1.00 0.00 H new ATOM 0 HA LEU B 93 -2.013 25.002 0.423 1.00 0.00 H new ATOM 0 HB2 LEU B 93 -2.256 23.000 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU B 93 -1.607 24.574 -2.200 1.00 0.00 H new ATOM 0 HG LEU B 93 -0.270 23.756 0.170 1.00 0.00 H new ATOM 0 HD11 LEU B 93 0.761 21.637 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU B 93 -0.991 21.467 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU B 93 -0.345 21.579 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU B 93 1.710 23.783 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU B 93 0.645 23.820 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU B 93 0.654 25.187 -1.583 1.00 0.00 H new ATOM 1710 N THR B 94 -4.641 25.159 -1.575 1.00 0.00 N ATOM 1711 CA THR B 94 -5.549 26.118 -2.208 1.00 0.00 C ATOM 1712 C THR B 94 -6.247 26.983 -1.156 1.00 0.00 C ATOM 1713 O THR B 94 -6.909 27.967 -1.489 1.00 0.00 O ATOM 1714 CB THR B 94 -6.580 25.414 -3.092 1.00 0.00 C ATOM 1715 OG1 THR B 94 -7.144 26.323 -4.019 1.00 0.00 O ATOM 1716 CG2 THR B 94 -7.718 24.794 -2.318 1.00 0.00 C ATOM 0 H THR B 94 -4.932 24.183 -1.637 1.00 0.00 H new ATOM 0 HA THR B 94 -4.948 26.766 -2.846 1.00 0.00 H new ATOM 0 HB THR B 94 -6.029 24.618 -3.593 1.00 0.00 H new ATOM 0 HG1 THR B 94 -7.289 27.188 -3.582 1.00 0.00 H new ATOM 0 HG21 THR B 94 -8.409 24.313 -3.010 1.00 0.00 H new ATOM 0 HG22 THR B 94 -7.324 24.052 -1.624 1.00 0.00 H new ATOM 0 HG23 THR B 94 -8.244 25.569 -1.760 1.00 0.00 H new ATOM 1724 N GLY B 95 -6.090 26.613 0.115 1.00 0.00 N ATOM 1725 CA GLY B 95 -6.702 27.363 1.192 1.00 0.00 C ATOM 1726 C GLY B 95 -5.683 28.147 1.992 1.00 0.00 C ATOM 1727 O GLY B 95 -5.974 29.243 2.472 1.00 0.00 O ATOM 0 H GLY B 95 -5.547 25.803 0.414 1.00 0.00 H new ATOM 0 HA2 GLY B 95 -7.444 28.048 0.780 1.00 0.00 H new ATOM 0 HA3 GLY B 95 -7.233 26.679 1.854 1.00 0.00 H new ATOM 1731 N LEU B 96 -4.479 27.594 2.125 1.00 0.00 N ATOM 1732 CA LEU B 96 -3.416 28.270 2.863 1.00 0.00 C ATOM 1733 C LEU B 96 -2.628 29.199 1.958 1.00 0.00 C ATOM 1734 O LEU B 96 -1.782 29.965 2.418 1.00 0.00 O ATOM 1735 CB LEU B 96 -2.466 27.259 3.503 1.00 0.00 C ATOM 1736 CG LEU B 96 -2.025 27.598 4.928 1.00 0.00 C ATOM 1737 CD1 LEU B 96 -1.240 26.445 5.533 1.00 0.00 C ATOM 1738 CD2 LEU B 96 -1.194 28.874 4.937 1.00 0.00 C ATOM 0 H LEU B 96 -4.217 26.688 1.735 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.891 28.859 3.648 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.951 26.283 3.511 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.579 27.169 2.876 1.00 0.00 H new ATOM 0 HG LEU B 96 -2.915 27.761 5.535 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -0.935 26.705 6.547 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.866 25.553 5.560 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.356 26.249 4.927 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.888 29.102 5.958 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -0.309 28.737 4.315 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.789 29.698 4.544 1.00 0.00 H new ATOM 1750 N PHE B 97 -2.908 29.121 0.670 1.00 0.00 N ATOM 1751 CA PHE B 97 -2.222 29.946 -0.311 1.00 0.00 C ATOM 1752 C PHE B 97 -0.743 29.561 -0.384 1.00 0.00 C ATOM 1753 O PHE B 97 -0.379 28.422 -0.098 1.00 0.00 O ATOM 1754 CB PHE B 97 -2.384 31.423 0.054 1.00 0.00 C ATOM 1755 CG PHE B 97 -2.693 32.307 -1.120 1.00 0.00 C ATOM 1756 CD1 PHE B 97 -3.803 32.068 -1.912 1.00 0.00 C ATOM 1757 CD2 PHE B 97 -1.872 33.381 -1.430 1.00 0.00 C ATOM 1758 CE1 PHE B 97 -4.092 32.883 -2.991 1.00 0.00 C ATOM 1759 CE2 PHE B 97 -2.155 34.199 -2.508 1.00 0.00 C ATOM 1760 CZ PHE B 97 -3.266 33.950 -3.289 1.00 0.00 C ATOM 0 H PHE B 97 -3.608 28.493 0.276 1.00 0.00 H new ATOM 0 HA PHE B 97 -2.663 29.780 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -3.182 31.520 0.790 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -1.468 31.773 0.529 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -4.451 31.235 -1.684 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -1.002 33.581 -0.822 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -4.962 32.686 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -1.508 35.032 -2.739 1.00 0.00 H new ATOM 0 HZ PHE B 97 -3.489 34.588 -4.131 1.00 0.00 H new ATOM 1770 N VAL B 98 0.104 30.511 -0.766 1.00 0.00 N ATOM 1771 CA VAL B 98 1.536 30.261 -0.873 1.00 0.00 C ATOM 1772 C VAL B 98 2.341 31.495 -0.479 1.00 0.00 C ATOM 1773 O VAL B 98 2.252 32.539 -1.123 1.00 0.00 O ATOM 1774 CB VAL B 98 1.927 29.843 -2.302 1.00 0.00 C ATOM 1775 CG1 VAL B 98 3.383 29.404 -2.352 1.00 0.00 C ATOM 1776 CG2 VAL B 98 1.011 28.737 -2.805 1.00 0.00 C ATOM 0 H VAL B 98 -0.177 31.462 -1.007 1.00 0.00 H new ATOM 0 HA VAL B 98 1.767 29.446 -0.187 1.00 0.00 H new ATOM 0 HB VAL B 98 1.810 30.706 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL B 98 3.640 29.112 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL B 98 4.023 30.229 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL B 98 3.530 28.556 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.303 28.455 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL B 98 1.092 27.870 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL B 98 -0.019 29.092 -2.810 1.00 0.00 H new ATOM 1786 N GLN B 99 3.128 31.366 0.585 1.00 0.00 N ATOM 1787 CA GLN B 99 3.951 32.471 1.065 1.00 0.00 C ATOM 1788 C GLN B 99 5.243 31.955 1.689 1.00 0.00 C ATOM 1789 O GLN B 99 5.229 30.988 2.451 1.00 0.00 O ATOM 1790 CB GLN B 99 3.175 33.306 2.087 1.00 0.00 C ATOM 1791 CG GLN B 99 3.849 34.622 2.435 1.00 0.00 C ATOM 1792 CD GLN B 99 3.318 35.227 3.719 1.00 0.00 C ATOM 1793 OE1 GLN B 99 2.377 36.155 3.591 1.00 0.00 O flip ATOM 1794 NE2 GLN B 99 3.748 34.867 4.814 1.00 0.00 N flip ATOM 0 H GLN B 99 3.213 30.508 1.131 1.00 0.00 H new ATOM 0 HA GLN B 99 4.206 33.099 0.212 1.00 0.00 H new ATOM 0 HB2 GLN B 99 2.179 33.510 1.695 1.00 0.00 H new ATOM 0 HB3 GLN B 99 3.046 32.722 2.998 1.00 0.00 H new ATOM 0 HG2 GLN B 99 4.923 34.462 2.530 1.00 0.00 H new ATOM 0 HG3 GLN B 99 3.703 35.328 1.617 1.00 0.00 H new ATOM 0 HE21 GLN B 99 4.472 34.150 4.867 1.00 0.00 H new ATOM 0 HE22 GLN B 99 3.381 35.285 5.669 1.00 0.00 H new ATOM 1803 N ASP B 100 6.358 32.605 1.357 1.00 0.00 N ATOM 1804 CA ASP B 100 7.669 32.220 1.879 1.00 0.00 C ATOM 1805 C ASP B 100 7.858 30.705 1.849 1.00 0.00 C ATOM 1806 O ASP B 100 7.486 30.003 2.791 1.00 0.00 O ATOM 1807 CB ASP B 100 7.851 32.743 3.307 1.00 0.00 C ATOM 1808 CG ASP B 100 6.798 32.212 4.260 1.00 0.00 C ATOM 1809 OD1 ASP B 100 5.690 32.786 4.301 1.00 0.00 O ATOM 1810 OD2 ASP B 100 7.083 31.221 4.966 1.00 0.00 O ATOM 0 H ASP B 100 6.379 33.405 0.725 1.00 0.00 H new ATOM 0 HA ASP B 100 8.426 32.669 1.235 1.00 0.00 H new ATOM 0 HB2 ASP B 100 8.840 32.462 3.670 1.00 0.00 H new ATOM 0 HB3 ASP B 100 7.813 33.832 3.299 1.00 0.00 H new ATOM 1815 N ASN B 101 8.438 30.207 0.761 1.00 0.00 N ATOM 1816 CA ASN B 101 8.676 28.778 0.609 1.00 0.00 C ATOM 1817 C ASN B 101 10.056 28.515 0.010 1.00 0.00 C ATOM 1818 O ASN B 101 10.259 28.659 -1.195 1.00 0.00 O ATOM 1819 CB ASN B 101 7.596 28.152 -0.278 1.00 0.00 C ATOM 1820 CG ASN B 101 6.238 28.127 0.397 1.00 0.00 C ATOM 1821 OD1 ASN B 101 5.937 27.225 1.181 1.00 0.00 O ATOM 1822 ND2 ASN B 101 5.410 29.120 0.096 1.00 0.00 N ATOM 0 H ASN B 101 8.751 30.773 -0.028 1.00 0.00 H new ATOM 0 HA ASN B 101 8.636 28.322 1.598 1.00 0.00 H new ATOM 0 HB2 ASN B 101 7.525 28.712 -1.210 1.00 0.00 H new ATOM 0 HB3 ASN B 101 7.888 27.135 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN B 101 4.483 29.157 0.519 1.00 0.00 H new ATOM 0 HD22 ASN B 101 5.701 29.846 -0.559 1.00 0.00 H new ATOM 1829 N VAL B 102 10.997 28.124 0.861 1.00 0.00 N ATOM 1830 CA VAL B 102 12.357 27.840 0.418 1.00 0.00 C ATOM 1831 C VAL B 102 12.794 26.444 0.851 1.00 0.00 C ATOM 1832 O VAL B 102 13.376 25.695 0.067 1.00 0.00 O ATOM 1833 CB VAL B 102 13.356 28.872 0.971 1.00 0.00 C ATOM 1834 CG1 VAL B 102 13.075 30.251 0.395 1.00 0.00 C ATOM 1835 CG2 VAL B 102 13.308 28.901 2.491 1.00 0.00 C ATOM 0 H VAL B 102 10.844 27.996 1.861 1.00 0.00 H new ATOM 0 HA VAL B 102 12.354 27.897 -0.670 1.00 0.00 H new ATOM 0 HB VAL B 102 14.360 28.576 0.668 1.00 0.00 H new ATOM 0 HG11 VAL B 102 13.792 30.967 0.798 1.00 0.00 H new ATOM 0 HG12 VAL B 102 13.167 30.218 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL B 102 12.065 30.559 0.664 1.00 0.00 H new ATOM 0 HG21 VAL B 102 14.021 29.636 2.864 1.00 0.00 H new ATOM 0 HG22 VAL B 102 12.304 29.171 2.818 1.00 0.00 H new ATOM 0 HG23 VAL B 102 13.565 27.916 2.882 1.00 0.00 H new ATOM 1845 N ASN B 103 12.512 26.103 2.104 1.00 0.00 N ATOM 1846 CA ASN B 103 12.877 24.798 2.640 1.00 0.00 C ATOM 1847 C ASN B 103 11.943 24.395 3.777 1.00 0.00 C ATOM 1848 O ASN B 103 11.455 23.265 3.822 1.00 0.00 O ATOM 1849 CB ASN B 103 14.323 24.814 3.136 1.00 0.00 C ATOM 1850 CG ASN B 103 15.324 24.738 2.000 1.00 0.00 C ATOM 1851 OD1 ASN B 103 15.465 23.702 1.350 1.00 0.00 O ATOM 1852 ND2 ASN B 103 16.024 25.840 1.753 1.00 0.00 N ATOM 0 H ASN B 103 12.032 26.712 2.767 1.00 0.00 H new ATOM 0 HA ASN B 103 12.782 24.065 1.839 1.00 0.00 H new ATOM 0 HB2 ASN B 103 14.497 25.724 3.710 1.00 0.00 H new ATOM 0 HB3 ASN B 103 14.481 23.975 3.813 1.00 0.00 H new ATOM 0 HD21 ASN B 103 16.711 25.850 0.999 1.00 0.00 H new ATOM 0 HD22 ASN B 103 15.874 26.676 2.317 1.00 0.00 H new ATOM 1859 N LYS B 104 11.698 25.325 4.695 1.00 0.00 N ATOM 1860 CA LYS B 104 10.824 25.067 5.835 1.00 0.00 C ATOM 1861 C LYS B 104 11.405 23.978 6.731 1.00 0.00 C ATOM 1862 O LYS B 104 11.775 22.903 6.260 1.00 0.00 O ATOM 1863 CB LYS B 104 9.427 24.661 5.354 1.00 0.00 C ATOM 1864 CG LYS B 104 8.411 25.789 5.420 1.00 0.00 C ATOM 1865 CD LYS B 104 7.743 25.860 6.783 1.00 0.00 C ATOM 1866 CE LYS B 104 8.345 26.963 7.642 1.00 0.00 C ATOM 1867 NZ LYS B 104 8.011 26.790 9.082 1.00 0.00 N ATOM 0 H LYS B 104 12.093 26.265 4.672 1.00 0.00 H new ATOM 0 HA LYS B 104 10.746 25.986 6.416 1.00 0.00 H new ATOM 0 HB2 LYS B 104 9.495 24.304 4.326 1.00 0.00 H new ATOM 0 HB3 LYS B 104 9.071 23.827 5.959 1.00 0.00 H new ATOM 0 HG2 LYS B 104 8.904 26.737 5.206 1.00 0.00 H new ATOM 0 HG3 LYS B 104 7.654 25.643 4.650 1.00 0.00 H new ATOM 0 HD2 LYS B 104 6.675 26.037 6.657 1.00 0.00 H new ATOM 0 HD3 LYS B 104 7.849 24.902 7.292 1.00 0.00 H new ATOM 0 HE2 LYS B 104 9.428 26.969 7.519 1.00 0.00 H new ATOM 0 HE3 LYS B 104 7.980 27.931 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 8.439 27.561 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 6.978 26.810 9.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 8.382 25.878 9.417 1.00 0.00 H new ATOM 1881 N ASP B 105 11.484 24.265 8.027 1.00 0.00 N ATOM 1882 CA ASP B 105 12.020 23.312 8.990 1.00 0.00 C ATOM 1883 C ASP B 105 13.466 22.958 8.658 1.00 0.00 C ATOM 1884 O ASP B 105 13.729 22.062 7.856 1.00 0.00 O ATOM 1885 CB ASP B 105 11.167 22.042 9.014 1.00 0.00 C ATOM 1886 CG ASP B 105 10.049 22.117 10.035 1.00 0.00 C ATOM 1887 OD1 ASP B 105 10.352 22.137 11.246 1.00 0.00 O ATOM 1888 OD2 ASP B 105 8.870 22.156 9.623 1.00 0.00 O ATOM 0 H ASP B 105 11.183 25.151 8.433 1.00 0.00 H new ATOM 0 HA ASP B 105 11.994 23.778 9.975 1.00 0.00 H new ATOM 0 HB2 ASP B 105 10.741 21.875 8.025 1.00 0.00 H new ATOM 0 HB3 ASP B 105 11.802 21.185 9.237 1.00 0.00 H new ATOM 1893 N ALA B 106 14.401 23.670 9.278 1.00 0.00 N ATOM 1894 CA ALA B 106 15.821 23.431 9.048 1.00 0.00 C ATOM 1895 C ALA B 106 16.386 22.450 10.068 1.00 0.00 C ATOM 1896 O ALA B 106 17.620 22.252 10.078 1.00 0.00 O ATOM 1897 CB ALA B 106 16.590 24.744 9.092 1.00 0.00 C ATOM 1898 OXT ALA B 106 15.591 21.887 10.849 1.00 0.00 O ATOM 0 H ALA B 106 14.201 24.417 9.943 1.00 0.00 H new ATOM 0 HA ALA B 106 15.934 22.989 8.058 1.00 0.00 H new ATOM 0 HB1 ALA B 106 17.649 24.552 8.919 1.00 0.00 H new ATOM 0 HB2 ALA B 106 16.212 25.413 8.319 1.00 0.00 H new ATOM 0 HB3 ALA B 106 16.461 25.209 10.069 1.00 0.00 H new TER 1904 ALA B 106