USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.115) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.7!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0761 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 100:sc= -0.29 USER MOD Single : A 11 GLN : amide:sc= -1.94 X(o=-1.9,f=-2.2) USER MOD Single : A 17 ASN : amide:sc= -3.97 K(o=-4,f=-5.8!) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0.712 (180deg=0.433) USER MOD Single : A 20 TYR OH : rot 15:sc= -2.55! USER MOD Single : A 27 ASN : amide:sc= -0.0651 X(o=-0.065,f=-0.3) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.519 K(o=-0.52,f=-2.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 159:sc= 1.78 USER MOD Single : A 64 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.56) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 152:sc= -1.14 (180deg=-1.9!) USER MOD Single : A 82 ASN : amide:sc= -0.433 K(o=-0.43,f=-2.7!) USER MOD Single : A 83 GLN : amide:sc= -0.672 X(o=-0.67,f=-0.61) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -60:sc= 1.06 USER MOD Single : A 88 SER OG : rot 43:sc= 0.0816 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.131 -4.625 -11.410 1.00 0.00 N ATOM 2 CA GLY A 1 10.088 -3.705 -10.990 1.00 0.00 C ATOM 3 C GLY A 1 10.045 -2.474 -11.898 1.00 0.00 C ATOM 4 O GLY A 1 10.522 -2.516 -13.031 1.00 0.00 O ATOM 0 H1 GLY A 1 10.729 -5.577 -11.523 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.529 -4.308 -12.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.882 -4.650 -10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.122 -4.210 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.264 -3.396 -9.960 1.00 0.00 H new ATOM 8 N SER A 2 9.467 -1.406 -11.367 1.00 0.00 N ATOM 9 CA SER A 2 9.354 -0.166 -12.115 1.00 0.00 C ATOM 10 C SER A 2 8.818 0.945 -11.210 1.00 0.00 C ATOM 11 O SER A 2 8.236 0.669 -10.162 1.00 0.00 O ATOM 12 CB SER A 2 8.448 -0.340 -13.335 1.00 0.00 C ATOM 13 OG SER A 2 7.080 -0.493 -12.968 1.00 0.00 O ATOM 0 H SER A 2 9.072 -1.374 -10.427 1.00 0.00 H new ATOM 0 HA SER A 2 10.347 0.111 -12.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.553 0.525 -13.990 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.770 -1.212 -13.904 1.00 0.00 H new ATOM 0 HG SER A 2 6.535 -0.600 -13.775 1.00 0.00 H new ATOM 19 N SER A 3 9.032 2.177 -11.648 1.00 0.00 N ATOM 20 CA SER A 3 8.578 3.330 -10.889 1.00 0.00 C ATOM 21 C SER A 3 8.670 4.591 -11.751 1.00 0.00 C ATOM 22 O SER A 3 9.637 4.774 -12.488 1.00 0.00 O ATOM 23 CB SER A 3 9.394 3.503 -9.607 1.00 0.00 C ATOM 24 OG SER A 3 10.674 4.073 -9.861 1.00 0.00 O ATOM 0 H SER A 3 9.514 2.402 -12.519 1.00 0.00 H new ATOM 0 HA SER A 3 7.539 3.165 -10.605 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.846 4.139 -8.912 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.518 2.534 -9.123 1.00 0.00 H new ATOM 0 HG SER A 3 11.163 4.169 -9.017 1.00 0.00 H new ATOM 30 N GLY A 4 7.649 5.428 -11.628 1.00 0.00 N ATOM 31 CA GLY A 4 7.603 6.667 -12.386 1.00 0.00 C ATOM 32 C GLY A 4 6.524 7.604 -11.840 1.00 0.00 C ATOM 33 O GLY A 4 6.476 7.869 -10.640 1.00 0.00 O ATOM 0 H GLY A 4 6.848 5.272 -11.015 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.574 7.160 -12.343 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.403 6.449 -13.435 1.00 0.00 H new ATOM 37 N SER A 5 5.683 8.079 -12.746 1.00 0.00 N ATOM 38 CA SER A 5 4.608 8.981 -12.370 1.00 0.00 C ATOM 39 C SER A 5 3.760 8.351 -11.263 1.00 0.00 C ATOM 40 O SER A 5 3.896 7.164 -10.972 1.00 0.00 O ATOM 41 CB SER A 5 3.732 9.327 -13.576 1.00 0.00 C ATOM 42 OG SER A 5 4.341 10.306 -14.415 1.00 0.00 O ATOM 0 H SER A 5 5.724 7.856 -13.740 1.00 0.00 H new ATOM 0 HA SER A 5 5.051 9.905 -11.999 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.538 8.424 -14.154 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.767 9.696 -13.229 1.00 0.00 H new ATOM 0 HG SER A 5 3.752 10.498 -15.174 1.00 0.00 H new ATOM 48 N SER A 6 2.905 9.175 -10.675 1.00 0.00 N ATOM 49 CA SER A 6 2.036 8.714 -9.607 1.00 0.00 C ATOM 50 C SER A 6 2.860 8.003 -8.531 1.00 0.00 C ATOM 51 O SER A 6 3.215 6.837 -8.687 1.00 0.00 O ATOM 52 CB SER A 6 0.949 7.781 -10.145 1.00 0.00 C ATOM 53 OG SER A 6 -0.325 8.418 -10.193 1.00 0.00 O ATOM 0 H SER A 6 2.796 10.159 -10.919 1.00 0.00 H new ATOM 0 HA SER A 6 1.547 9.582 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.223 7.443 -11.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.887 6.894 -9.514 1.00 0.00 H new ATOM 0 HG SER A 6 -0.507 8.716 -11.109 1.00 0.00 H new ATOM 59 N GLY A 7 3.141 8.738 -7.465 1.00 0.00 N ATOM 60 CA GLY A 7 3.917 8.193 -6.364 1.00 0.00 C ATOM 61 C GLY A 7 3.035 7.360 -5.431 1.00 0.00 C ATOM 62 O GLY A 7 3.335 6.199 -5.160 1.00 0.00 O ATOM 0 H GLY A 7 2.845 9.706 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.725 7.574 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.380 9.005 -5.804 1.00 0.00 H new ATOM 66 N LEU A 8 1.965 7.987 -4.965 1.00 0.00 N ATOM 67 CA LEU A 8 1.038 7.319 -4.068 1.00 0.00 C ATOM 68 C LEU A 8 0.829 5.877 -4.538 1.00 0.00 C ATOM 69 O LEU A 8 0.976 4.939 -3.756 1.00 0.00 O ATOM 70 CB LEU A 8 -0.260 8.119 -3.945 1.00 0.00 C ATOM 71 CG LEU A 8 -0.117 9.554 -3.432 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.275 10.428 -3.918 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.019 9.579 -1.908 1.00 0.00 C ATOM 0 H LEU A 8 1.719 8.951 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 8 1.452 7.270 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.739 8.150 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.933 7.581 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 8 0.800 9.975 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.149 11.442 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.285 10.446 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.217 10.019 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.119 10.610 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.867 9.133 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.902 9.012 -1.612 1.00 0.00 H new ATOM 85 N ARG A 9 0.492 5.748 -5.812 1.00 0.00 N ATOM 86 CA ARG A 9 0.262 4.437 -6.396 1.00 0.00 C ATOM 87 C ARG A 9 1.301 3.439 -5.884 1.00 0.00 C ATOM 88 O ARG A 9 0.949 2.409 -5.308 1.00 0.00 O ATOM 89 CB ARG A 9 0.329 4.494 -7.923 1.00 0.00 C ATOM 90 CG ARG A 9 -0.387 3.295 -8.549 1.00 0.00 C ATOM 91 CD ARG A 9 -1.831 3.646 -8.910 1.00 0.00 C ATOM 92 NE ARG A 9 -1.861 4.447 -10.155 1.00 0.00 N ATOM 93 CZ ARG A 9 -1.937 5.784 -10.185 1.00 0.00 C ATOM 94 NH1 ARG A 9 -1.992 6.478 -9.041 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.958 6.427 -11.361 1.00 0.00 N ATOM 0 H ARG A 9 0.373 6.529 -6.457 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.736 4.113 -6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.127 5.419 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.370 4.509 -8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.147 2.974 -9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.376 2.456 -7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.414 2.734 -9.040 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.292 4.206 -8.096 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.821 3.950 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.976 5.988 -8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.050 7.496 -9.064 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.916 5.898 -12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.016 7.445 -11.385 1.00 0.00 H new ATOM 109 N GLU A 10 2.563 3.777 -6.111 1.00 0.00 N ATOM 110 CA GLU A 10 3.655 2.923 -5.680 1.00 0.00 C ATOM 111 C GLU A 10 3.629 2.752 -4.160 1.00 0.00 C ATOM 112 O GLU A 10 3.746 1.637 -3.654 1.00 0.00 O ATOM 113 CB GLU A 10 5.003 3.479 -6.146 1.00 0.00 C ATOM 114 CG GLU A 10 5.474 2.777 -7.421 1.00 0.00 C ATOM 115 CD GLU A 10 6.288 1.525 -7.089 1.00 0.00 C ATOM 116 OE1 GLU A 10 5.790 0.727 -6.266 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.389 1.394 -7.665 1.00 0.00 O ATOM 0 H GLU A 10 2.852 4.631 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 10 3.525 1.943 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.915 4.550 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.746 3.349 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.612 2.504 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.079 3.462 -8.015 1.00 0.00 H new ATOM 124 N GLN A 11 3.475 3.875 -3.474 1.00 0.00 N ATOM 125 CA GLN A 11 3.431 3.864 -2.021 1.00 0.00 C ATOM 126 C GLN A 11 2.455 2.794 -1.527 1.00 0.00 C ATOM 127 O GLN A 11 2.792 1.999 -0.652 1.00 0.00 O ATOM 128 CB GLN A 11 3.056 5.243 -1.474 1.00 0.00 C ATOM 129 CG GLN A 11 4.098 6.291 -1.870 1.00 0.00 C ATOM 130 CD GLN A 11 3.533 7.706 -1.726 1.00 0.00 C ATOM 131 OE1 GLN A 11 3.652 8.543 -2.606 1.00 0.00 O ATOM 132 NE2 GLN A 11 2.913 7.926 -0.570 1.00 0.00 N ATOM 0 H GLN A 11 3.379 4.798 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 11 4.426 3.620 -1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.078 5.536 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.975 5.198 -0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.984 6.183 -1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.414 6.124 -2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.849 7.181 0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.502 8.839 -0.378 1.00 0.00 H new ATOM 141 N VAL A 12 1.265 2.810 -2.111 1.00 0.00 N ATOM 142 CA VAL A 12 0.238 1.851 -1.741 1.00 0.00 C ATOM 143 C VAL A 12 0.734 0.436 -2.046 1.00 0.00 C ATOM 144 O VAL A 12 0.579 -0.470 -1.229 1.00 0.00 O ATOM 145 CB VAL A 12 -1.074 2.190 -2.449 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.116 1.091 -2.232 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.609 3.549 -1.992 1.00 0.00 C ATOM 0 H VAL A 12 0.990 3.471 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 12 0.036 1.901 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.870 2.252 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.039 1.358 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.739 0.149 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.313 0.982 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.543 3.766 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.788 3.527 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.878 4.324 -2.222 1.00 0.00 H new ATOM 157 N LYS A 13 1.319 0.290 -3.225 1.00 0.00 N ATOM 158 CA LYS A 13 1.838 -0.999 -3.649 1.00 0.00 C ATOM 159 C LYS A 13 2.716 -1.580 -2.539 1.00 0.00 C ATOM 160 O LYS A 13 2.529 -2.725 -2.129 1.00 0.00 O ATOM 161 CB LYS A 13 2.554 -0.872 -4.996 1.00 0.00 C ATOM 162 CG LYS A 13 1.565 -0.995 -6.156 1.00 0.00 C ATOM 163 CD LYS A 13 2.235 -0.650 -7.487 1.00 0.00 C ATOM 164 CE LYS A 13 1.683 0.658 -8.057 1.00 0.00 C ATOM 165 NZ LYS A 13 2.424 1.045 -9.279 1.00 0.00 N ATOM 0 H LYS A 13 1.445 1.044 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 13 1.022 -1.703 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.066 0.089 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.317 -1.646 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.170 -2.010 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.718 -0.330 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.312 -0.562 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.073 -1.458 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.624 0.543 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.762 1.449 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.156 2.011 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.446 1.010 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.191 0.386 -10.049 1.00 0.00 H new ATOM 179 N GLU A 14 3.657 -0.765 -2.083 1.00 0.00 N ATOM 180 CA GLU A 14 4.564 -1.184 -1.029 1.00 0.00 C ATOM 181 C GLU A 14 3.789 -1.448 0.265 1.00 0.00 C ATOM 182 O GLU A 14 4.126 -2.359 1.018 1.00 0.00 O ATOM 183 CB GLU A 14 5.664 -0.144 -0.806 1.00 0.00 C ATOM 184 CG GLU A 14 6.698 -0.191 -1.931 1.00 0.00 C ATOM 185 CD GLU A 14 8.063 0.300 -1.443 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.558 -0.289 -0.457 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.580 1.251 -2.065 1.00 0.00 O ATOM 0 H GLU A 14 3.810 0.184 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 14 5.044 -2.112 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.223 0.851 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.154 -0.326 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.787 -1.211 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.362 0.426 -2.764 1.00 0.00 H new ATOM 194 N LEU A 15 2.766 -0.634 0.479 1.00 0.00 N ATOM 195 CA LEU A 15 1.940 -0.768 1.668 1.00 0.00 C ATOM 196 C LEU A 15 1.380 -2.190 1.736 1.00 0.00 C ATOM 197 O LEU A 15 1.755 -2.967 2.613 1.00 0.00 O ATOM 198 CB LEU A 15 0.864 0.319 1.699 1.00 0.00 C ATOM 199 CG LEU A 15 -0.427 -0.036 2.437 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.215 -0.027 3.951 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.572 0.887 2.014 1.00 0.00 C ATOM 0 H LEU A 15 2.490 0.120 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 15 2.538 -0.617 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.289 1.210 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.611 0.582 0.672 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.710 -1.051 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.149 -0.283 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.550 -0.757 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.106 0.965 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.479 0.613 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.311 1.920 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.743 0.786 0.942 1.00 0.00 H new ATOM 213 N PHE A 16 0.491 -2.487 0.800 1.00 0.00 N ATOM 214 CA PHE A 16 -0.125 -3.801 0.743 1.00 0.00 C ATOM 215 C PHE A 16 0.930 -4.906 0.819 1.00 0.00 C ATOM 216 O PHE A 16 0.685 -5.966 1.393 1.00 0.00 O ATOM 217 CB PHE A 16 -0.851 -3.898 -0.600 1.00 0.00 C ATOM 218 CG PHE A 16 -2.200 -3.176 -0.633 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.111 -3.392 0.354 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.488 -2.318 -1.647 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.363 -2.723 0.324 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.740 -1.648 -1.677 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.651 -1.865 -0.691 1.00 0.00 C ATOM 0 H PHE A 16 0.183 -1.840 0.075 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.807 -3.928 1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.210 -3.484 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.007 -4.949 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.882 -4.073 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.765 -2.146 -2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.086 -2.895 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.968 -0.966 -2.483 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.603 -1.356 -0.714 1.00 0.00 H new ATOM 233 N ASN A 17 2.083 -4.620 0.232 1.00 0.00 N ATOM 234 CA ASN A 17 3.177 -5.575 0.226 1.00 0.00 C ATOM 235 C ASN A 17 3.786 -5.656 1.628 1.00 0.00 C ATOM 236 O ASN A 17 4.214 -6.725 2.061 1.00 0.00 O ATOM 237 CB ASN A 17 4.280 -5.145 -0.743 1.00 0.00 C ATOM 238 CG ASN A 17 3.789 -5.201 -2.191 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.607 -5.105 -2.478 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.760 -5.361 -3.086 1.00 0.00 N ATOM 0 H ASN A 17 2.283 -3.740 -0.243 1.00 0.00 H new ATOM 0 HA ASN A 17 2.779 -6.540 -0.086 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.605 -4.132 -0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.147 -5.794 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.535 -5.410 -4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.730 -5.435 -2.779 1.00 0.00 H new ATOM 247 N GLU A 18 3.805 -4.512 2.297 1.00 0.00 N ATOM 248 CA GLU A 18 4.354 -4.441 3.640 1.00 0.00 C ATOM 249 C GLU A 18 3.485 -5.242 4.612 1.00 0.00 C ATOM 250 O GLU A 18 4.004 -5.955 5.469 1.00 0.00 O ATOM 251 CB GLU A 18 4.494 -2.987 4.098 1.00 0.00 C ATOM 252 CG GLU A 18 5.585 -2.264 3.306 1.00 0.00 C ATOM 253 CD GLU A 18 6.829 -2.039 4.167 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.686 -2.950 4.176 1.00 0.00 O ATOM 255 OE2 GLU A 18 6.896 -0.962 4.798 1.00 0.00 O ATOM 0 H GLU A 18 3.449 -3.628 1.934 1.00 0.00 H new ATOM 0 HA GLU A 18 5.351 -4.881 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.544 -2.469 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.732 -2.958 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.849 -2.850 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.207 -1.306 2.950 1.00 0.00 H new ATOM 262 N LYS A 19 2.179 -5.096 4.445 1.00 0.00 N ATOM 263 CA LYS A 19 1.234 -5.798 5.297 1.00 0.00 C ATOM 264 C LYS A 19 1.408 -7.306 5.111 1.00 0.00 C ATOM 265 O LYS A 19 1.631 -8.033 6.079 1.00 0.00 O ATOM 266 CB LYS A 19 -0.191 -5.306 5.034 1.00 0.00 C ATOM 267 CG LYS A 19 -0.330 -3.821 5.376 1.00 0.00 C ATOM 268 CD LYS A 19 -0.514 -3.620 6.882 1.00 0.00 C ATOM 269 CE LYS A 19 -0.348 -2.147 7.263 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.084 -2.014 8.713 1.00 0.00 N ATOM 0 H LYS A 19 1.753 -4.503 3.733 1.00 0.00 H new ATOM 0 HA LYS A 19 1.433 -5.582 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.448 -5.467 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.896 -5.887 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.556 -3.282 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.182 -3.399 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.503 -3.967 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.213 -4.224 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.473 -1.709 6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.249 -1.593 6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.306 -1.070 8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.972 -2.139 9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.600 -2.739 9.009 1.00 0.00 H new ATOM 284 N TYR A 20 1.300 -7.733 3.861 1.00 0.00 N ATOM 285 CA TYR A 20 1.442 -9.142 3.537 1.00 0.00 C ATOM 286 C TYR A 20 2.657 -9.747 4.243 1.00 0.00 C ATOM 287 O TYR A 20 2.539 -10.764 4.924 1.00 0.00 O ATOM 288 CB TYR A 20 1.663 -9.205 2.024 1.00 0.00 C ATOM 289 CG TYR A 20 1.225 -10.525 1.386 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.026 -11.041 1.657 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.081 -11.200 0.539 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.440 -12.282 1.057 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.667 -12.442 -0.062 1.00 0.00 C ATOM 294 CZ TYR A 20 0.429 -12.922 0.227 1.00 0.00 C ATOM 295 OH TYR A 20 0.038 -14.095 -0.340 1.00 0.00 O ATOM 0 H TYR A 20 1.116 -7.128 3.061 1.00 0.00 H new ATOM 0 HA TYR A 20 0.562 -9.700 3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.118 -8.387 1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.721 -9.045 1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.695 -10.513 2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.060 -10.797 0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.417 -12.696 1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.326 -12.980 -0.728 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.932 -14.197 -0.245 1.00 0.00 H new ATOM 305 N GLY A 21 3.796 -9.096 4.056 1.00 0.00 N ATOM 306 CA GLY A 21 5.030 -9.557 4.668 1.00 0.00 C ATOM 307 C GLY A 21 4.840 -9.807 6.165 1.00 0.00 C ATOM 308 O GLY A 21 5.075 -10.913 6.649 1.00 0.00 O ATOM 0 H GLY A 21 3.890 -8.253 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.360 -10.475 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.814 -8.816 4.516 1.00 0.00 H new ATOM 312 N GLU A 22 4.418 -8.760 6.858 1.00 0.00 N ATOM 313 CA GLU A 22 4.195 -8.851 8.291 1.00 0.00 C ATOM 314 C GLU A 22 3.238 -10.003 8.606 1.00 0.00 C ATOM 315 O GLU A 22 3.498 -10.803 9.504 1.00 0.00 O ATOM 316 CB GLU A 22 3.664 -7.529 8.849 1.00 0.00 C ATOM 317 CG GLU A 22 4.618 -6.377 8.529 1.00 0.00 C ATOM 318 CD GLU A 22 4.875 -5.517 9.768 1.00 0.00 C ATOM 319 OE1 GLU A 22 3.888 -5.250 10.488 1.00 0.00 O ATOM 320 OE2 GLU A 22 6.051 -5.145 9.967 1.00 0.00 O ATOM 0 H GLU A 22 4.224 -7.844 6.454 1.00 0.00 H new ATOM 0 HA GLU A 22 5.150 -9.054 8.776 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.681 -7.320 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.536 -7.611 9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.562 -6.775 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.196 -5.761 7.735 1.00 0.00 H new ATOM 327 N ALA A 23 2.150 -10.051 7.851 1.00 0.00 N ATOM 328 CA ALA A 23 1.154 -11.091 8.039 1.00 0.00 C ATOM 329 C ALA A 23 1.787 -12.454 7.756 1.00 0.00 C ATOM 330 O ALA A 23 1.434 -13.449 8.388 1.00 0.00 O ATOM 331 CB ALA A 23 -0.053 -10.811 7.140 1.00 0.00 C ATOM 0 H ALA A 23 1.937 -9.386 7.108 1.00 0.00 H new ATOM 0 HA ALA A 23 0.798 -11.100 9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.801 -11.592 7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.484 -9.844 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.265 -10.797 6.098 1.00 0.00 H new ATOM 337 N LEU A 24 2.711 -12.457 6.806 1.00 0.00 N ATOM 338 CA LEU A 24 3.396 -13.683 6.433 1.00 0.00 C ATOM 339 C LEU A 24 4.370 -14.076 7.545 1.00 0.00 C ATOM 340 O LEU A 24 4.968 -15.150 7.500 1.00 0.00 O ATOM 341 CB LEU A 24 4.057 -13.530 5.061 1.00 0.00 C ATOM 342 CG LEU A 24 3.171 -13.834 3.852 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.783 -13.273 2.568 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.886 -15.333 3.744 1.00 0.00 C ATOM 0 H LEU A 24 3.001 -11.630 6.284 1.00 0.00 H new ATOM 0 HA LEU A 24 2.684 -14.502 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.425 -12.508 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.926 -14.186 5.023 1.00 0.00 H new ATOM 0 HG LEU A 24 2.213 -13.334 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.133 -13.503 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.891 -12.192 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.762 -13.723 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.254 -15.522 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.825 -15.875 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.375 -15.672 4.645 1.00 0.00 H new ATOM 356 N GLY A 25 4.501 -13.186 8.517 1.00 0.00 N ATOM 357 CA GLY A 25 5.393 -13.426 9.638 1.00 0.00 C ATOM 358 C GLY A 25 6.853 -13.209 9.234 1.00 0.00 C ATOM 359 O GLY A 25 7.761 -13.760 9.854 1.00 0.00 O ATOM 0 H GLY A 25 4.004 -12.296 8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.137 -12.758 10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.260 -14.445 10.001 1.00 0.00 H new ATOM 363 N LEU A 26 7.033 -12.406 8.196 1.00 0.00 N ATOM 364 CA LEU A 26 8.367 -12.109 7.702 1.00 0.00 C ATOM 365 C LEU A 26 8.792 -10.725 8.193 1.00 0.00 C ATOM 366 O LEU A 26 8.073 -10.086 8.961 1.00 0.00 O ATOM 367 CB LEU A 26 8.421 -12.266 6.180 1.00 0.00 C ATOM 368 CG LEU A 26 7.659 -13.459 5.601 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.822 -13.527 4.081 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.082 -14.762 6.282 1.00 0.00 C ATOM 0 H LEU A 26 6.277 -11.952 7.683 1.00 0.00 H new ATOM 0 HA LEU A 26 9.088 -12.823 8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.029 -11.355 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.466 -12.347 5.880 1.00 0.00 H new ATOM 0 HG LEU A 26 6.597 -13.319 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.271 -14.384 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.434 -12.613 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.878 -13.633 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.525 -15.595 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.149 -14.922 6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.873 -14.699 7.350 1.00 0.00 H new ATOM 382 N ASN A 27 9.959 -10.300 7.732 1.00 0.00 N ATOM 383 CA ASN A 27 10.489 -9.003 8.115 1.00 0.00 C ATOM 384 C ASN A 27 10.720 -8.160 6.859 1.00 0.00 C ATOM 385 O ASN A 27 11.489 -7.201 6.884 1.00 0.00 O ATOM 386 CB ASN A 27 11.828 -9.147 8.840 1.00 0.00 C ATOM 387 CG ASN A 27 11.775 -8.500 10.224 1.00 0.00 C ATOM 388 OD1 ASN A 27 11.203 -7.440 10.421 1.00 0.00 O ATOM 389 ND2 ASN A 27 12.401 -9.193 11.171 1.00 0.00 N ATOM 0 H ASN A 27 10.553 -10.832 7.096 1.00 0.00 H new ATOM 0 HA ASN A 27 9.768 -8.528 8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.081 -10.203 8.938 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.618 -8.684 8.248 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.422 -8.844 12.129 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.860 -10.074 10.939 1.00 0.00 H new ATOM 396 N ARG A 28 10.038 -8.548 5.790 1.00 0.00 N ATOM 397 CA ARG A 28 10.159 -7.841 4.527 1.00 0.00 C ATOM 398 C ARG A 28 8.815 -7.824 3.798 1.00 0.00 C ATOM 399 O ARG A 28 7.969 -8.688 4.026 1.00 0.00 O ATOM 400 CB ARG A 28 11.211 -8.492 3.629 1.00 0.00 C ATOM 401 CG ARG A 28 10.969 -9.998 3.504 1.00 0.00 C ATOM 402 CD ARG A 28 12.209 -10.711 2.958 1.00 0.00 C ATOM 403 NE ARG A 28 12.239 -12.110 3.437 1.00 0.00 N ATOM 404 CZ ARG A 28 11.437 -13.080 2.978 1.00 0.00 C ATOM 405 NH1 ARG A 28 10.535 -12.807 2.024 1.00 0.00 N ATOM 406 NH2 ARG A 28 11.536 -14.322 3.470 1.00 0.00 N ATOM 0 H ARG A 28 9.400 -9.343 5.774 1.00 0.00 H new ATOM 0 HA ARG A 28 10.470 -6.820 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.185 -8.033 2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.205 -8.312 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.708 -10.410 4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.121 -10.180 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.200 -10.691 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.110 -10.188 3.279 1.00 0.00 H new ATOM 0 HE ARG A 28 12.913 -12.352 4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.460 -11.862 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.924 -13.545 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.223 -14.530 4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.925 -15.060 3.120 1.00 0.00 H new ATOM 420 N PRO A 29 8.655 -6.804 2.912 1.00 0.00 N ATOM 421 CA PRO A 29 7.427 -6.664 2.146 1.00 0.00 C ATOM 422 C PRO A 29 7.360 -7.698 1.022 1.00 0.00 C ATOM 423 O PRO A 29 8.357 -7.951 0.346 1.00 0.00 O ATOM 424 CB PRO A 29 7.443 -5.232 1.637 1.00 0.00 C ATOM 425 CG PRO A 29 8.888 -4.768 1.741 1.00 0.00 C ATOM 426 CD PRO A 29 9.634 -5.763 2.615 1.00 0.00 C ATOM 0 HA PRO A 29 6.535 -6.850 2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.089 -5.180 0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.786 -4.599 2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.343 -4.712 0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.938 -3.768 2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.502 -6.172 2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.000 -5.292 3.527 1.00 0.00 H new ATOM 434 N VAL A 30 6.176 -8.269 0.856 1.00 0.00 N ATOM 435 CA VAL A 30 5.967 -9.271 -0.176 1.00 0.00 C ATOM 436 C VAL A 30 4.724 -8.905 -0.991 1.00 0.00 C ATOM 437 O VAL A 30 3.728 -8.443 -0.436 1.00 0.00 O ATOM 438 CB VAL A 30 5.879 -10.661 0.455 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.390 -11.696 -0.561 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.224 -11.077 1.056 1.00 0.00 C ATOM 0 H VAL A 30 5.352 -8.057 1.418 1.00 0.00 H new ATOM 0 HA VAL A 30 6.812 -9.294 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 30 5.150 -10.615 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.337 -12.675 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.401 -11.413 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.084 -11.737 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.134 -12.069 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.982 -11.096 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.515 -10.362 1.825 1.00 0.00 H new ATOM 450 N LEU A 31 4.824 -9.126 -2.293 1.00 0.00 N ATOM 451 CA LEU A 31 3.721 -8.824 -3.190 1.00 0.00 C ATOM 452 C LEU A 31 2.492 -9.634 -2.769 1.00 0.00 C ATOM 453 O LEU A 31 2.622 -10.732 -2.231 1.00 0.00 O ATOM 454 CB LEU A 31 4.137 -9.050 -4.645 1.00 0.00 C ATOM 455 CG LEU A 31 4.817 -7.868 -5.338 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.683 -8.343 -6.507 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.789 -6.822 -5.774 1.00 0.00 C ATOM 0 H LEU A 31 5.652 -9.511 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 31 3.449 -7.771 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.813 -9.905 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.250 -9.321 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 31 5.481 -7.386 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.155 -7.483 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.452 -9.021 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.059 -8.863 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.299 -5.993 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.082 -7.275 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.253 -6.453 -4.900 1.00 0.00 H new ATOM 469 N VAL A 32 1.327 -9.059 -3.031 1.00 0.00 N ATOM 470 CA VAL A 32 0.076 -9.714 -2.686 1.00 0.00 C ATOM 471 C VAL A 32 -0.473 -10.435 -3.918 1.00 0.00 C ATOM 472 O VAL A 32 -0.647 -9.827 -4.972 1.00 0.00 O ATOM 473 CB VAL A 32 -0.904 -8.694 -2.103 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.286 -9.318 -1.896 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.369 -8.102 -0.798 1.00 0.00 C ATOM 0 H VAL A 32 1.223 -8.148 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 32 0.238 -10.467 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.007 -7.881 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.964 -8.572 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.674 -9.668 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.206 -10.159 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.085 -7.380 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.222 -8.900 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.582 -7.604 -0.987 1.00 0.00 H new ATOM 485 N PRO A 33 -0.739 -11.757 -3.739 1.00 0.00 N ATOM 486 CA PRO A 33 -1.265 -12.569 -4.824 1.00 0.00 C ATOM 487 C PRO A 33 -2.746 -12.268 -5.063 1.00 0.00 C ATOM 488 O PRO A 33 -3.587 -13.161 -4.974 1.00 0.00 O ATOM 489 CB PRO A 33 -1.012 -14.006 -4.398 1.00 0.00 C ATOM 490 CG PRO A 33 -0.779 -13.962 -2.897 1.00 0.00 C ATOM 491 CD PRO A 33 -0.546 -12.512 -2.504 1.00 0.00 C ATOM 0 HA PRO A 33 -0.783 -12.360 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.863 -14.641 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.147 -14.420 -4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.639 -14.368 -2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.081 -14.574 -2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.246 -12.194 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.457 -12.367 -2.104 1.00 0.00 H new ATOM 499 N TYR A 34 -3.020 -11.007 -5.364 1.00 0.00 N ATOM 500 CA TYR A 34 -4.384 -10.578 -5.619 1.00 0.00 C ATOM 501 C TYR A 34 -5.124 -11.589 -6.497 1.00 0.00 C ATOM 502 O TYR A 34 -6.274 -11.928 -6.226 1.00 0.00 O ATOM 503 CB TYR A 34 -4.275 -9.250 -6.372 1.00 0.00 C ATOM 504 CG TYR A 34 -3.442 -8.191 -5.648 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.005 -7.444 -4.635 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.126 -7.983 -6.010 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.220 -6.446 -3.953 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.341 -6.986 -5.329 1.00 0.00 C ATOM 509 CZ TYR A 34 -1.927 -6.267 -4.335 1.00 0.00 C ATOM 510 OH TYR A 34 -1.185 -5.325 -3.692 1.00 0.00 O ATOM 0 H TYR A 34 -2.320 -10.269 -5.437 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.937 -10.485 -4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.836 -9.435 -7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.277 -8.856 -6.541 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.035 -7.607 -4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.685 -8.568 -6.804 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.648 -5.854 -3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.310 -6.813 -5.602 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.280 -5.308 -4.069 1.00 0.00 H new ATOM 520 N LYS A 35 -4.431 -12.043 -7.531 1.00 0.00 N ATOM 521 CA LYS A 35 -5.007 -13.010 -8.451 1.00 0.00 C ATOM 522 C LYS A 35 -5.635 -14.154 -7.654 1.00 0.00 C ATOM 523 O LYS A 35 -6.760 -14.567 -7.934 1.00 0.00 O ATOM 524 CB LYS A 35 -3.960 -13.471 -9.468 1.00 0.00 C ATOM 525 CG LYS A 35 -3.826 -12.462 -10.612 1.00 0.00 C ATOM 526 CD LYS A 35 -3.291 -13.136 -11.877 1.00 0.00 C ATOM 527 CE LYS A 35 -4.057 -12.666 -13.114 1.00 0.00 C ATOM 528 NZ LYS A 35 -5.265 -13.494 -13.323 1.00 0.00 N ATOM 0 H LYS A 35 -3.476 -11.760 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.805 -12.552 -9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.997 -13.595 -8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.241 -14.445 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.796 -12.010 -10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.156 -11.656 -10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.231 -12.910 -11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.377 -14.218 -11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.342 -11.620 -12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.413 -12.724 -13.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.773 -13.161 -14.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.986 -14.487 -13.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.886 -13.417 -12.493 1.00 0.00 H new ATOM 542 N LEU A 36 -4.881 -14.636 -6.676 1.00 0.00 N ATOM 543 CA LEU A 36 -5.350 -15.725 -5.836 1.00 0.00 C ATOM 544 C LEU A 36 -6.466 -15.213 -4.921 1.00 0.00 C ATOM 545 O LEU A 36 -7.622 -15.605 -5.068 1.00 0.00 O ATOM 546 CB LEU A 36 -4.182 -16.362 -5.083 1.00 0.00 C ATOM 547 CG LEU A 36 -3.198 -17.171 -5.932 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.954 -17.544 -5.123 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.878 -18.400 -6.538 1.00 0.00 C ATOM 0 H LEU A 36 -3.948 -14.292 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.777 -16.521 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.629 -15.572 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.587 -17.015 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.867 -16.545 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.271 -18.118 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.457 -16.636 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.247 -18.144 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.157 -18.957 -7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.256 -19.038 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.706 -18.082 -7.171 1.00 0.00 H new ATOM 561 N ILE A 37 -6.079 -14.346 -3.997 1.00 0.00 N ATOM 562 CA ILE A 37 -7.031 -13.778 -3.059 1.00 0.00 C ATOM 563 C ILE A 37 -8.343 -13.479 -3.788 1.00 0.00 C ATOM 564 O ILE A 37 -9.424 -13.716 -3.252 1.00 0.00 O ATOM 565 CB ILE A 37 -6.428 -12.561 -2.354 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.158 -12.943 -1.593 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.460 -11.885 -1.448 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.065 -11.888 -1.786 1.00 0.00 C ATOM 0 H ILE A 37 -5.119 -14.023 -3.878 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.261 -14.494 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.141 -11.833 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.383 -13.048 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.799 -13.912 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.006 -11.023 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.310 -11.557 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.800 -12.593 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.173 -12.184 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.825 -11.802 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.418 -10.926 -1.415 1.00 0.00 H new ATOM 580 N ARG A 38 -8.204 -12.963 -5.002 1.00 0.00 N ATOM 581 CA ARG A 38 -9.364 -12.629 -5.810 1.00 0.00 C ATOM 582 C ARG A 38 -10.243 -13.864 -6.013 1.00 0.00 C ATOM 583 O ARG A 38 -11.448 -13.820 -5.767 1.00 0.00 O ATOM 584 CB ARG A 38 -8.945 -12.080 -7.174 1.00 0.00 C ATOM 585 CG ARG A 38 -10.161 -11.601 -7.970 1.00 0.00 C ATOM 586 CD ARG A 38 -10.446 -10.123 -7.700 1.00 0.00 C ATOM 587 NE ARG A 38 -10.558 -9.387 -8.979 1.00 0.00 N ATOM 588 CZ ARG A 38 -9.508 -8.952 -9.689 1.00 0.00 C ATOM 589 NH1 ARG A 38 -8.262 -9.175 -9.250 1.00 0.00 N ATOM 590 NH2 ARG A 38 -9.704 -8.292 -10.840 1.00 0.00 N ATOM 0 H ARG A 38 -7.306 -12.769 -5.444 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.927 -11.861 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.246 -11.254 -7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.420 -12.853 -7.735 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.985 -11.752 -9.035 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.033 -12.198 -7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.369 -10.020 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.648 -9.695 -7.093 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.492 -9.199 -9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.112 -9.676 -8.375 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.464 -8.843 -9.791 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.652 -8.121 -11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.905 -7.961 -11.380 1.00 0.00 H new ATOM 604 N ASP A 39 -9.607 -14.937 -6.458 1.00 0.00 N ATOM 605 CA ASP A 39 -10.317 -16.183 -6.697 1.00 0.00 C ATOM 606 C ASP A 39 -10.674 -16.826 -5.355 1.00 0.00 C ATOM 607 O ASP A 39 -11.788 -17.314 -5.175 1.00 0.00 O ATOM 608 CB ASP A 39 -9.447 -17.171 -7.477 1.00 0.00 C ATOM 609 CG ASP A 39 -9.942 -17.493 -8.888 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.103 -17.133 -9.179 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.148 -18.092 -9.646 1.00 0.00 O ATOM 0 H ASP A 39 -8.608 -14.970 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.213 -15.956 -7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.437 -16.767 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.381 -18.100 -6.910 1.00 0.00 H new ATOM 616 N SER A 40 -9.708 -16.805 -4.449 1.00 0.00 N ATOM 617 CA SER A 40 -9.908 -17.380 -3.129 1.00 0.00 C ATOM 618 C SER A 40 -9.990 -16.268 -2.081 1.00 0.00 C ATOM 619 O SER A 40 -8.966 -15.731 -1.659 1.00 0.00 O ATOM 620 CB SER A 40 -8.785 -18.358 -2.780 1.00 0.00 C ATOM 621 OG SER A 40 -9.016 -19.013 -1.535 1.00 0.00 O ATOM 0 H SER A 40 -8.785 -16.399 -4.602 1.00 0.00 H new ATOM 0 HA SER A 40 -10.847 -17.934 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.694 -19.103 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.837 -17.822 -2.737 1.00 0.00 H new ATOM 0 HG SER A 40 -8.278 -19.630 -1.348 1.00 0.00 H new ATOM 627 N PRO A 41 -11.249 -15.947 -1.681 1.00 0.00 N ATOM 628 CA PRO A 41 -11.477 -14.909 -0.690 1.00 0.00 C ATOM 629 C PRO A 41 -11.119 -15.402 0.714 1.00 0.00 C ATOM 630 O PRO A 41 -11.019 -14.608 1.647 1.00 0.00 O ATOM 631 CB PRO A 41 -12.945 -14.543 -0.835 1.00 0.00 C ATOM 632 CG PRO A 41 -13.594 -15.704 -1.570 1.00 0.00 C ATOM 633 CD PRO A 41 -12.484 -16.561 -2.158 1.00 0.00 C ATOM 0 HA PRO A 41 -10.845 -14.034 -0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.408 -14.391 0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.062 -13.614 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.210 -16.291 -0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.252 -15.337 -2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.565 -17.596 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.526 -16.571 -3.247 1.00 0.00 H new ATOM 641 N ASP A 42 -10.936 -16.711 0.818 1.00 0.00 N ATOM 642 CA ASP A 42 -10.592 -17.319 2.091 1.00 0.00 C ATOM 643 C ASP A 42 -9.114 -17.712 2.080 1.00 0.00 C ATOM 644 O ASP A 42 -8.755 -18.804 2.520 1.00 0.00 O ATOM 645 CB ASP A 42 -11.416 -18.584 2.338 1.00 0.00 C ATOM 646 CG ASP A 42 -11.805 -18.828 3.797 1.00 0.00 C ATOM 647 OD1 ASP A 42 -10.886 -19.132 4.587 1.00 0.00 O ATOM 648 OD2 ASP A 42 -13.014 -18.705 4.090 1.00 0.00 O ATOM 0 H ASP A 42 -11.020 -17.366 0.041 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.800 -16.594 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.325 -18.530 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.850 -19.444 1.980 1.00 0.00 H new ATOM 653 N ALA A 43 -8.296 -16.801 1.573 1.00 0.00 N ATOM 654 CA ALA A 43 -6.864 -17.040 1.499 1.00 0.00 C ATOM 655 C ALA A 43 -6.143 -16.085 2.453 1.00 0.00 C ATOM 656 O ALA A 43 -5.324 -16.515 3.264 1.00 0.00 O ATOM 657 CB ALA A 43 -6.394 -16.882 0.052 1.00 0.00 C ATOM 0 H ALA A 43 -8.597 -15.897 1.210 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.628 -18.058 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.320 -17.061 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.915 -17.601 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.611 -15.871 -0.293 1.00 0.00 H new ATOM 663 N VAL A 44 -6.473 -14.809 2.325 1.00 0.00 N ATOM 664 CA VAL A 44 -5.867 -13.791 3.166 1.00 0.00 C ATOM 665 C VAL A 44 -6.943 -12.799 3.615 1.00 0.00 C ATOM 666 O VAL A 44 -7.845 -12.467 2.847 1.00 0.00 O ATOM 667 CB VAL A 44 -4.709 -13.120 2.424 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.267 -11.841 3.138 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.535 -14.086 2.252 1.00 0.00 C ATOM 0 H VAL A 44 -7.153 -14.456 1.651 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.444 -14.241 4.064 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.063 -12.843 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.443 -11.384 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.103 -11.143 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.940 -12.083 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.726 -13.584 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.182 -14.408 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.860 -14.955 1.680 1.00 0.00 H new ATOM 679 N GLU A 45 -6.812 -12.356 4.857 1.00 0.00 N ATOM 680 CA GLU A 45 -7.761 -11.409 5.417 1.00 0.00 C ATOM 681 C GLU A 45 -7.184 -9.993 5.382 1.00 0.00 C ATOM 682 O GLU A 45 -6.084 -9.755 5.877 1.00 0.00 O ATOM 683 CB GLU A 45 -8.154 -11.805 6.842 1.00 0.00 C ATOM 684 CG GLU A 45 -8.644 -10.591 7.634 1.00 0.00 C ATOM 685 CD GLU A 45 -9.061 -10.992 9.049 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.396 -11.894 9.603 1.00 0.00 O ATOM 687 OE2 GLU A 45 -10.037 -10.388 9.546 1.00 0.00 O ATOM 0 H GLU A 45 -6.063 -12.635 5.491 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.664 -11.427 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.937 -12.563 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.298 -12.252 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.854 -9.841 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.488 -10.132 7.119 1.00 0.00 H new ATOM 694 N VAL A 46 -7.952 -9.090 4.790 1.00 0.00 N ATOM 695 CA VAL A 46 -7.531 -7.704 4.682 1.00 0.00 C ATOM 696 C VAL A 46 -8.488 -6.820 5.485 1.00 0.00 C ATOM 697 O VAL A 46 -9.701 -6.877 5.290 1.00 0.00 O ATOM 698 CB VAL A 46 -7.435 -7.298 3.210 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.269 -5.783 3.069 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.296 -8.042 2.510 1.00 0.00 C ATOM 0 H VAL A 46 -8.864 -9.292 4.380 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.535 -7.574 5.106 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.369 -7.579 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.203 -5.521 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.127 -5.280 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.358 -5.468 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.249 -7.735 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.352 -7.806 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.475 -9.116 2.565 1.00 0.00 H new ATOM 710 N THR A 47 -7.906 -6.024 6.370 1.00 0.00 N ATOM 711 CA THR A 47 -8.693 -5.130 7.203 1.00 0.00 C ATOM 712 C THR A 47 -7.935 -3.823 7.446 1.00 0.00 C ATOM 713 O THR A 47 -6.771 -3.698 7.070 1.00 0.00 O ATOM 714 CB THR A 47 -9.049 -5.875 8.492 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.867 -6.608 8.806 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.109 -6.956 8.269 1.00 0.00 C ATOM 0 H THR A 47 -6.899 -5.979 6.528 1.00 0.00 H new ATOM 0 HA THR A 47 -9.622 -4.844 6.709 1.00 0.00 H new ATOM 0 HB THR A 47 -9.407 -5.163 9.236 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.008 -7.119 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.325 -7.454 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.020 -6.498 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.738 -7.687 7.550 1.00 0.00 H new ATOM 724 N GLY A 48 -8.627 -2.884 8.073 1.00 0.00 N ATOM 725 CA GLY A 48 -8.034 -1.590 8.370 1.00 0.00 C ATOM 726 C GLY A 48 -8.299 -0.593 7.240 1.00 0.00 C ATOM 727 O GLY A 48 -8.323 0.616 7.467 1.00 0.00 O ATOM 0 H GLY A 48 -9.592 -2.992 8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.443 -1.204 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.960 -1.703 8.516 1.00 0.00 H new ATOM 731 N LEU A 49 -8.490 -1.136 6.047 1.00 0.00 N ATOM 732 CA LEU A 49 -8.751 -0.309 4.882 1.00 0.00 C ATOM 733 C LEU A 49 -9.782 0.763 5.243 1.00 0.00 C ATOM 734 O LEU A 49 -10.470 0.651 6.256 1.00 0.00 O ATOM 735 CB LEU A 49 -9.160 -1.177 3.689 1.00 0.00 C ATOM 736 CG LEU A 49 -8.014 -1.730 2.839 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.545 -2.639 1.728 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.145 -0.598 2.288 1.00 0.00 C ATOM 0 H LEU A 49 -8.469 -2.139 5.862 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.844 0.211 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.749 -2.016 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.814 -0.589 3.044 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.378 -2.342 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.710 -3.019 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.087 -3.475 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.216 -2.072 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.338 -1.018 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.754 0.060 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.723 -0.028 3.115 1.00 0.00 H new ATOM 750 N PRO A 50 -9.857 1.804 4.372 1.00 0.00 N ATOM 751 CA PRO A 50 -10.792 2.895 4.589 1.00 0.00 C ATOM 752 C PRO A 50 -12.222 2.467 4.255 1.00 0.00 C ATOM 753 O PRO A 50 -12.430 1.542 3.471 1.00 0.00 O ATOM 754 CB PRO A 50 -10.288 4.025 3.706 1.00 0.00 C ATOM 755 CG PRO A 50 -9.370 3.378 2.683 1.00 0.00 C ATOM 756 CD PRO A 50 -9.057 1.970 3.162 1.00 0.00 C ATOM 0 HA PRO A 50 -10.836 3.211 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.117 4.538 3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.753 4.771 4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.849 3.351 1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.453 3.957 2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.320 1.228 2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.994 1.850 3.370 1.00 0.00 H new ATOM 764 N ASP A 51 -13.171 3.160 4.865 1.00 0.00 N ATOM 765 CA ASP A 51 -14.576 2.863 4.643 1.00 0.00 C ATOM 766 C ASP A 51 -14.957 3.263 3.215 1.00 0.00 C ATOM 767 O ASP A 51 -14.462 4.260 2.693 1.00 0.00 O ATOM 768 CB ASP A 51 -15.466 3.650 5.607 1.00 0.00 C ATOM 769 CG ASP A 51 -15.117 5.133 5.745 1.00 0.00 C ATOM 770 OD1 ASP A 51 -15.638 5.918 4.923 1.00 0.00 O ATOM 771 OD2 ASP A 51 -14.336 5.449 6.669 1.00 0.00 O ATOM 0 H ASP A 51 -12.995 3.927 5.514 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.725 1.796 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.500 3.565 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.409 3.186 6.592 1.00 0.00 H new ATOM 776 N ASP A 52 -15.833 2.463 2.625 1.00 0.00 N ATOM 777 CA ASP A 52 -16.286 2.721 1.269 1.00 0.00 C ATOM 778 C ASP A 52 -15.141 2.446 0.292 1.00 0.00 C ATOM 779 O ASP A 52 -15.032 3.101 -0.743 1.00 0.00 O ATOM 780 CB ASP A 52 -16.711 4.181 1.099 1.00 0.00 C ATOM 781 CG ASP A 52 -18.087 4.383 0.461 1.00 0.00 C ATOM 782 OD1 ASP A 52 -19.030 3.701 0.918 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.166 5.216 -0.468 1.00 0.00 O ATOM 0 H ASP A 52 -16.241 1.636 3.061 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.138 2.071 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.707 4.661 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.966 4.692 0.490 1.00 0.00 H new ATOM 788 N ILE A 53 -14.316 1.475 0.656 1.00 0.00 N ATOM 789 CA ILE A 53 -13.183 1.104 -0.175 1.00 0.00 C ATOM 790 C ILE A 53 -12.872 -0.380 0.027 1.00 0.00 C ATOM 791 O ILE A 53 -12.554 -0.806 1.136 1.00 0.00 O ATOM 792 CB ILE A 53 -11.993 2.025 0.101 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.326 3.474 -0.259 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.738 1.530 -0.620 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.117 4.385 -0.041 1.00 0.00 C ATOM 0 H ILE A 53 -14.410 0.934 1.515 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.423 1.239 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.782 1.999 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.645 3.530 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.161 3.821 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.907 2.202 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.491 0.527 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.921 1.508 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.381 5.409 -0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.816 4.346 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.291 4.050 -0.669 1.00 0.00 H new ATOM 807 N PRO A 54 -12.977 -1.147 -1.091 1.00 0.00 N ATOM 808 CA PRO A 54 -12.710 -2.574 -1.049 1.00 0.00 C ATOM 809 C PRO A 54 -11.208 -2.849 -0.959 1.00 0.00 C ATOM 810 O PRO A 54 -10.427 -1.952 -0.646 1.00 0.00 O ATOM 811 CB PRO A 54 -13.341 -3.131 -2.314 1.00 0.00 C ATOM 812 CG PRO A 54 -13.531 -1.943 -3.243 1.00 0.00 C ATOM 813 CD PRO A 54 -13.350 -0.676 -2.422 1.00 0.00 C ATOM 0 HA PRO A 54 -13.131 -3.054 -0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.700 -3.885 -2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.294 -3.612 -2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.808 -1.976 -4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.523 -1.967 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.577 -0.036 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.268 -0.089 -2.392 1.00 0.00 H new ATOM 821 N PHE A 55 -10.848 -4.093 -1.240 1.00 0.00 N ATOM 822 CA PHE A 55 -9.454 -4.497 -1.196 1.00 0.00 C ATOM 823 C PHE A 55 -9.041 -5.187 -2.498 1.00 0.00 C ATOM 824 O PHE A 55 -9.218 -6.395 -2.647 1.00 0.00 O ATOM 825 CB PHE A 55 -9.311 -5.488 -0.039 1.00 0.00 C ATOM 826 CG PHE A 55 -8.128 -6.448 -0.184 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.875 -5.957 -0.377 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.330 -7.791 -0.118 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.776 -6.847 -0.511 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.232 -8.682 -0.252 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.979 -8.190 -0.445 1.00 0.00 C ATOM 0 H PHE A 55 -11.499 -4.835 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.818 -3.622 -1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.202 -4.931 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.229 -6.069 0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.715 -4.890 -0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.325 -8.180 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.781 -6.458 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.392 -9.749 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.144 -8.867 -0.546 1.00 0.00 H new ATOM 841 N ARG A 56 -8.498 -4.390 -3.406 1.00 0.00 N ATOM 842 CA ARG A 56 -8.058 -4.909 -4.690 1.00 0.00 C ATOM 843 C ARG A 56 -6.760 -4.226 -5.123 1.00 0.00 C ATOM 844 O ARG A 56 -6.284 -3.308 -4.455 1.00 0.00 O ATOM 845 CB ARG A 56 -9.124 -4.691 -5.766 1.00 0.00 C ATOM 846 CG ARG A 56 -10.495 -5.168 -5.284 1.00 0.00 C ATOM 847 CD ARG A 56 -11.216 -5.962 -6.377 1.00 0.00 C ATOM 848 NE ARG A 56 -12.680 -5.835 -6.213 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.579 -6.540 -6.914 1.00 0.00 C ATOM 850 NH1 ARG A 56 -13.167 -7.426 -7.831 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.889 -6.358 -6.699 1.00 0.00 N ATOM 0 H ARG A 56 -8.353 -3.389 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.888 -5.979 -4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.173 -3.633 -6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.846 -5.229 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.376 -5.790 -4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.101 -4.310 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.919 -5.596 -7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.926 -7.011 -6.327 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.028 -5.169 -5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.170 -7.564 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.851 -7.963 -8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.202 -5.683 -6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.573 -6.895 -7.233 1.00 0.00 H new ATOM 865 N ASN A 57 -6.221 -4.699 -6.238 1.00 0.00 N ATOM 866 CA ASN A 57 -4.987 -4.146 -6.766 1.00 0.00 C ATOM 867 C ASN A 57 -4.998 -2.627 -6.591 1.00 0.00 C ATOM 868 O ASN A 57 -6.021 -1.980 -6.813 1.00 0.00 O ATOM 869 CB ASN A 57 -4.843 -4.448 -8.260 1.00 0.00 C ATOM 870 CG ASN A 57 -3.433 -4.946 -8.585 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.784 -5.611 -7.794 1.00 0.00 O ATOM 872 ND2 ASN A 57 -2.998 -4.587 -9.789 1.00 0.00 N ATOM 0 H ASN A 57 -6.618 -5.460 -6.790 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.156 -4.598 -6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.575 -5.200 -8.555 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.058 -3.550 -8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.069 -4.869 -10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.594 -4.029 -10.401 1.00 0.00 H new ATOM 879 N PRO A 58 -3.818 -2.086 -6.182 1.00 0.00 N ATOM 880 CA PRO A 58 -3.683 -0.654 -5.975 1.00 0.00 C ATOM 881 C PRO A 58 -3.601 0.088 -7.310 1.00 0.00 C ATOM 882 O PRO A 58 -3.691 1.314 -7.349 1.00 0.00 O ATOM 883 CB PRO A 58 -2.430 -0.497 -5.129 1.00 0.00 C ATOM 884 CG PRO A 58 -1.656 -1.795 -5.285 1.00 0.00 C ATOM 885 CD PRO A 58 -2.587 -2.821 -5.909 1.00 0.00 C ATOM 0 HA PRO A 58 -4.545 -0.218 -5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.837 0.354 -5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.684 -0.317 -4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.779 -1.643 -5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.297 -2.144 -4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.163 -3.237 -6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.766 -3.656 -5.232 1.00 0.00 H new ATOM 893 N ASN A 59 -3.431 -0.686 -8.372 1.00 0.00 N ATOM 894 CA ASN A 59 -3.336 -0.117 -9.705 1.00 0.00 C ATOM 895 C ASN A 59 -4.732 -0.046 -10.325 1.00 0.00 C ATOM 896 O ASN A 59 -5.042 -0.792 -11.254 1.00 0.00 O ATOM 897 CB ASN A 59 -2.459 -0.982 -10.612 1.00 0.00 C ATOM 898 CG ASN A 59 -1.007 -0.501 -10.592 1.00 0.00 C ATOM 899 OD1 ASN A 59 -0.719 0.680 -10.492 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.112 -1.479 -10.691 1.00 0.00 N ATOM 0 H ASN A 59 -3.357 -1.703 -8.336 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.895 0.876 -9.617 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.506 -2.021 -10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.842 -0.950 -11.632 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.884 -1.261 -10.686 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.422 -2.447 -10.772 1.00 0.00 H new ATOM 907 N THR A 60 -5.539 0.858 -9.788 1.00 0.00 N ATOM 908 CA THR A 60 -6.895 1.035 -10.278 1.00 0.00 C ATOM 909 C THR A 60 -7.626 2.096 -9.451 1.00 0.00 C ATOM 910 O THR A 60 -8.430 2.858 -9.985 1.00 0.00 O ATOM 911 CB THR A 60 -7.587 -0.330 -10.263 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.976 -0.016 -10.241 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.356 -1.088 -8.954 1.00 0.00 C ATOM 0 H THR A 60 -5.279 1.475 -9.019 1.00 0.00 H new ATOM 0 HA THR A 60 -6.899 1.406 -11.303 1.00 0.00 H new ATOM 0 HB THR A 60 -7.226 -0.929 -11.099 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.499 -0.845 -10.232 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.868 -2.049 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.288 -1.251 -8.812 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.748 -0.504 -8.121 1.00 0.00 H new ATOM 921 N TYR A 61 -7.321 2.109 -8.162 1.00 0.00 N ATOM 922 CA TYR A 61 -7.938 3.063 -7.257 1.00 0.00 C ATOM 923 C TYR A 61 -7.823 4.488 -7.800 1.00 0.00 C ATOM 924 O TYR A 61 -7.229 4.709 -8.855 1.00 0.00 O ATOM 925 CB TYR A 61 -7.157 2.965 -5.944 1.00 0.00 C ATOM 926 CG TYR A 61 -7.360 1.648 -5.196 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.633 1.150 -5.007 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.270 0.955 -4.708 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.825 -0.091 -4.302 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.461 -0.285 -4.002 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.729 -0.748 -3.835 1.00 0.00 C ATOM 932 OH TYR A 61 -7.909 -1.919 -3.169 1.00 0.00 O ATOM 0 H TYR A 61 -6.655 1.474 -7.723 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.998 2.842 -7.131 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.095 3.091 -6.155 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.453 3.789 -5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.486 1.691 -5.388 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.273 1.344 -4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.816 -0.491 -4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.617 -0.835 -3.614 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.077 -2.436 -3.186 1.00 0.00 H new ATOM 942 N ASP A 62 -8.403 5.419 -7.056 1.00 0.00 N ATOM 943 CA ASP A 62 -8.373 6.818 -7.451 1.00 0.00 C ATOM 944 C ASP A 62 -7.533 7.609 -6.445 1.00 0.00 C ATOM 945 O ASP A 62 -7.273 7.136 -5.340 1.00 0.00 O ATOM 946 CB ASP A 62 -9.780 7.416 -7.465 1.00 0.00 C ATOM 947 CG ASP A 62 -10.800 6.649 -8.309 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.468 5.511 -8.706 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.890 7.216 -8.537 1.00 0.00 O ATOM 0 H ASP A 62 -8.896 5.232 -6.183 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.946 6.877 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.146 7.469 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.720 8.439 -7.836 1.00 0.00 H new ATOM 954 N ILE A 63 -7.133 8.800 -6.865 1.00 0.00 N ATOM 955 CA ILE A 63 -6.329 9.661 -6.014 1.00 0.00 C ATOM 956 C ILE A 63 -6.866 9.605 -4.584 1.00 0.00 C ATOM 957 O ILE A 63 -6.094 9.546 -3.628 1.00 0.00 O ATOM 958 CB ILE A 63 -6.266 11.077 -6.593 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.843 11.637 -6.518 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.280 11.994 -5.908 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.838 13.151 -6.739 1.00 0.00 C ATOM 0 H ILE A 63 -7.350 9.189 -7.783 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.298 9.308 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.537 11.028 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.408 11.406 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.218 11.154 -7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.215 12.994 -6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.285 11.600 -6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.064 12.043 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.815 13.524 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.251 13.377 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.444 13.633 -5.972 1.00 0.00 H new ATOM 973 N HIS A 64 -8.187 9.625 -4.481 1.00 0.00 N ATOM 974 CA HIS A 64 -8.837 9.577 -3.182 1.00 0.00 C ATOM 975 C HIS A 64 -8.487 8.263 -2.481 1.00 0.00 C ATOM 976 O HIS A 64 -7.705 8.251 -1.532 1.00 0.00 O ATOM 977 CB HIS A 64 -10.346 9.790 -3.322 1.00 0.00 C ATOM 978 CG HIS A 64 -10.835 11.103 -2.759 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.953 11.201 -1.948 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.347 12.369 -2.897 1.00 0.00 C ATOM 981 CE1 HIS A 64 -12.121 12.474 -1.620 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.125 13.196 -2.209 1.00 0.00 N ATOM 0 H HIS A 64 -8.825 9.674 -5.276 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.470 10.391 -2.557 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.614 9.736 -4.377 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.866 8.975 -2.819 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.475 12.651 -3.469 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.908 12.870 -0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.999 14.205 -2.133 1.00 0.00 H new ATOM 990 N ARG A 65 -9.083 7.189 -2.976 1.00 0.00 N ATOM 991 CA ARG A 65 -8.844 5.872 -2.409 1.00 0.00 C ATOM 992 C ARG A 65 -7.354 5.682 -2.119 1.00 0.00 C ATOM 993 O ARG A 65 -6.978 5.288 -1.016 1.00 0.00 O ATOM 994 CB ARG A 65 -9.316 4.769 -3.358 1.00 0.00 C ATOM 995 CG ARG A 65 -10.826 4.852 -3.587 1.00 0.00 C ATOM 996 CD ARG A 65 -11.395 3.491 -3.992 1.00 0.00 C ATOM 997 NE ARG A 65 -12.850 3.604 -4.241 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.384 4.147 -5.343 1.00 0.00 C ATOM 999 NH1 ARG A 65 -12.586 4.631 -6.306 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.715 4.208 -5.484 1.00 0.00 N ATOM 0 H ARG A 65 -9.731 7.203 -3.764 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.411 5.803 -1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.795 4.857 -4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.060 3.794 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.317 5.199 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.040 5.585 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.891 3.129 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.208 2.761 -3.205 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.486 3.246 -3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.573 4.586 -6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.992 5.044 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.323 3.841 -4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.120 4.622 -6.324 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.545 5.971 -3.127 1.00 0.00 N ATOM 1015 CA LEU A 66 -5.104 5.837 -2.994 1.00 0.00 C ATOM 1016 C LEU A 66 -4.647 6.542 -1.716 1.00 0.00 C ATOM 1017 O LEU A 66 -3.915 5.966 -0.913 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.401 6.337 -4.258 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.477 5.416 -5.476 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.943 6.116 -6.727 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.757 4.092 -5.209 1.00 0.00 C ATOM 0 H LEU A 66 -6.860 6.298 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.826 4.788 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.828 7.302 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.351 6.509 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.525 5.181 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.008 5.439 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.537 7.008 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.903 6.400 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.826 3.456 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.709 4.287 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.223 3.589 -4.362 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.098 7.779 -1.567 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.745 8.568 -0.399 1.00 0.00 C ATOM 1035 C GLU A 67 -5.364 7.960 0.861 1.00 0.00 C ATOM 1036 O GLU A 67 -4.667 7.721 1.846 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.174 10.026 -0.573 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.138 10.810 -1.381 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.329 11.744 -0.477 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -2.384 11.234 0.164 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -3.674 12.944 -0.448 1.00 0.00 O ATOM 0 H GLU A 67 -5.705 8.254 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.661 8.553 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.140 10.067 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.304 10.490 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.466 10.117 -1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.639 11.391 -2.155 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.666 7.727 0.788 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.387 7.152 1.910 1.00 0.00 C ATOM 1050 C LYS A 68 -6.590 5.975 2.474 1.00 0.00 C ATOM 1051 O LYS A 68 -6.222 5.974 3.648 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.815 6.787 1.499 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.530 7.988 0.875 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.776 8.364 1.680 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.487 9.567 1.059 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.367 10.752 1.938 1.00 0.00 N ATOM 0 H LYS A 68 -7.240 7.926 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.488 7.883 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.793 5.962 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.371 6.441 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.850 8.839 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.813 7.754 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.458 7.515 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.494 8.594 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.056 9.787 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.539 9.332 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.855 11.559 1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.799 10.545 2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.362 10.986 2.070 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.345 4.999 1.611 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.599 3.818 2.007 1.00 0.00 C ATOM 1072 C ILE A 69 -4.318 4.247 2.726 1.00 0.00 C ATOM 1073 O ILE A 69 -4.083 3.859 3.869 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.352 2.909 0.801 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.657 2.277 0.315 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.287 1.856 1.117 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.813 2.436 -1.199 1.00 0.00 C ATOM 0 H ILE A 69 -6.651 5.003 0.638 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.178 3.222 2.712 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.967 3.521 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.672 1.219 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.502 2.743 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.131 1.223 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.352 2.351 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.619 1.243 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.749 1.978 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.822 3.496 -1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.979 1.948 -1.704 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.524 5.044 2.026 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.273 5.531 2.583 1.00 0.00 C ATOM 1091 C LEU A 70 -2.545 6.192 3.936 1.00 0.00 C ATOM 1092 O LEU A 70 -1.686 6.188 4.816 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.561 6.446 1.583 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.689 5.747 0.539 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.366 6.688 -0.623 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.576 5.170 1.178 1.00 0.00 C ATOM 0 H LEU A 70 -3.723 5.365 1.078 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.589 4.702 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.314 7.037 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.937 7.144 2.140 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.253 4.909 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.255 6.167 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.292 7.009 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.170 7.560 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.178 4.679 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.153 5.975 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.299 4.445 1.943 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.743 6.743 4.059 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.139 7.406 5.290 1.00 0.00 C ATOM 1110 C LYS A 71 -4.413 6.355 6.366 1.00 0.00 C ATOM 1111 O LYS A 71 -4.196 6.603 7.551 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.318 8.347 5.036 1.00 0.00 C ATOM 1113 CG LYS A 71 -4.928 9.802 5.306 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.162 10.706 5.331 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.764 12.180 5.233 1.00 0.00 C ATOM 1116 NZ LYS A 71 -6.967 13.043 5.250 1.00 0.00 N ATOM 0 H LYS A 71 -4.453 6.744 3.327 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.330 8.037 5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.655 8.243 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.155 8.067 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.403 9.871 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.237 10.146 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.823 10.448 4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.722 10.537 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.109 12.442 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.200 12.350 4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.680 14.040 5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.578 12.803 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.490 12.892 6.136 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.884 5.201 5.914 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.190 4.110 6.824 1.00 0.00 C ATOM 1132 C ALA A 72 -4.102 3.041 6.714 1.00 0.00 C ATOM 1133 O ALA A 72 -4.320 1.888 7.084 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.583 3.559 6.511 1.00 0.00 C ATOM 0 H ALA A 72 -5.061 4.998 4.930 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.203 4.462 7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.812 2.741 7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.323 4.350 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.607 3.193 5.485 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.953 3.460 6.203 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.830 2.553 6.040 1.00 0.00 C ATOM 1142 C ARG A 73 -1.501 1.871 7.370 1.00 0.00 C ATOM 1143 O ARG A 73 -1.094 0.710 7.393 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.591 3.294 5.534 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.182 4.403 6.505 1.00 0.00 C ATOM 1146 CD ARG A 73 1.068 5.134 6.007 1.00 0.00 C ATOM 1147 NE ARG A 73 1.349 6.301 6.872 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.374 7.145 6.685 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.219 6.956 5.662 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.552 8.177 7.520 1.00 0.00 N ATOM 0 H ARG A 73 -2.776 4.417 5.896 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.115 1.802 5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.233 2.591 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.794 3.722 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.002 5.112 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.010 3.977 7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.921 4.456 6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.923 5.461 4.977 1.00 0.00 H new ATOM 0 HE ARG A 73 0.724 6.474 7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.082 6.170 5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.999 7.598 5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.908 8.321 8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.332 8.819 7.378 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.688 2.622 8.446 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.416 2.105 9.776 1.00 0.00 C ATOM 1166 C GLU A 74 -2.525 1.144 10.210 1.00 0.00 C ATOM 1167 O GLU A 74 -2.249 0.087 10.774 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.252 3.244 10.783 1.00 0.00 C ATOM 1169 CG GLU A 74 0.116 3.915 10.637 1.00 0.00 C ATOM 1170 CD GLU A 74 0.606 4.460 11.979 1.00 0.00 C ATOM 1171 OE1 GLU A 74 1.225 3.667 12.722 1.00 0.00 O ATOM 1172 OE2 GLU A 74 0.352 5.657 12.233 1.00 0.00 O ATOM 0 H GLU A 74 -2.025 3.585 8.423 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.477 1.553 9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.040 3.982 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.365 2.857 11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.837 3.197 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.051 4.727 9.913 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.755 1.547 9.929 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.907 0.735 10.283 1.00 0.00 C ATOM 1181 C HIS A 75 -4.890 -0.562 9.472 1.00 0.00 C ATOM 1182 O HIS A 75 -5.136 -1.640 10.012 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.205 1.527 10.107 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.604 2.329 11.321 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -7.235 1.767 12.418 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.456 3.656 11.602 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.452 2.721 13.311 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.969 3.890 12.803 1.00 0.00 N ATOM 0 H HIS A 75 -3.979 2.425 9.460 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.855 0.464 11.337 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.094 2.202 9.259 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.010 0.835 9.861 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.999 4.391 10.956 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.928 2.595 14.272 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.997 4.796 13.270 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.597 -0.416 8.188 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.544 -1.563 7.297 1.00 0.00 C ATOM 1198 C VAL A 76 -3.812 -2.711 7.994 1.00 0.00 C ATOM 1199 O VAL A 76 -2.725 -2.522 8.536 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.900 -1.163 5.968 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.480 -2.398 5.169 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.837 -0.274 5.150 1.00 0.00 C ATOM 0 H VAL A 76 -4.394 0.479 7.743 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.550 -1.913 7.064 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.002 -0.587 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.025 -2.086 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.759 -2.977 5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.356 -3.012 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.355 -0.004 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.761 -0.814 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.065 0.631 5.714 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.440 -3.878 7.958 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.862 -5.058 8.580 1.00 0.00 C ATOM 1214 C ARG A 77 -4.252 -6.314 7.798 1.00 0.00 C ATOM 1215 O ARG A 77 -5.409 -6.476 7.413 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.329 -5.201 10.030 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.775 -6.479 10.661 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.675 -6.158 11.674 1.00 0.00 C ATOM 1219 NE ARG A 77 -3.243 -5.409 12.817 1.00 0.00 N ATOM 1220 CZ ARG A 77 -2.544 -5.054 13.905 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -1.248 -5.377 14.003 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -3.143 -4.377 14.893 1.00 0.00 N ATOM 0 H ARG A 77 -5.343 -4.031 7.508 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.778 -4.942 8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.004 -4.336 10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.418 -5.217 10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.580 -7.024 11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.378 -7.131 9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.213 -7.080 12.026 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.890 -5.570 11.197 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.228 -5.146 12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.793 -5.893 13.250 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.716 -5.107 14.831 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.130 -4.132 14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.612 -4.107 15.721 1.00 0.00 H new ATOM 1236 N MET A 78 -3.264 -7.171 7.588 1.00 0.00 N ATOM 1237 CA MET A 78 -3.489 -8.408 6.860 1.00 0.00 C ATOM 1238 C MET A 78 -3.367 -9.620 7.786 1.00 0.00 C ATOM 1239 O MET A 78 -2.531 -9.634 8.689 1.00 0.00 O ATOM 1240 CB MET A 78 -2.469 -8.527 5.726 1.00 0.00 C ATOM 1241 CG MET A 78 -2.850 -7.628 4.549 1.00 0.00 C ATOM 1242 SD MET A 78 -1.584 -7.699 3.291 1.00 0.00 S ATOM 1243 CE MET A 78 -2.314 -6.634 2.057 1.00 0.00 C ATOM 0 H MET A 78 -2.306 -7.033 7.909 1.00 0.00 H new ATOM 0 HA MET A 78 -4.499 -8.387 6.451 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.480 -8.253 6.092 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.410 -9.563 5.393 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.806 -7.946 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.977 -6.601 4.891 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.525 -6.168 1.466 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.958 -7.223 1.403 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.905 -5.861 2.548 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.213 -10.608 7.531 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.210 -11.820 8.330 1.00 0.00 C ATOM 1255 C VAL A 79 -4.334 -13.034 7.408 1.00 0.00 C ATOM 1256 O VAL A 79 -5.323 -13.175 6.690 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.316 -11.755 9.384 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.371 -13.046 10.204 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.138 -10.537 10.293 1.00 0.00 C ATOM 0 H VAL A 79 -4.905 -10.593 6.782 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.269 -11.918 8.871 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.267 -11.648 8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.166 -12.972 10.946 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.569 -13.889 9.542 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.417 -13.197 10.709 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.938 -10.515 11.033 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.176 -10.599 10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.174 -9.627 9.694 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.316 -13.881 7.457 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.299 -15.079 6.635 1.00 0.00 C ATOM 1271 C ILE A 80 -4.392 -16.037 7.113 1.00 0.00 C ATOM 1272 O ILE A 80 -4.261 -16.658 8.167 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.900 -15.701 6.621 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.860 -14.698 6.119 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.884 -16.997 5.811 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.119 -14.325 4.658 1.00 0.00 C ATOM 0 H ILE A 80 -2.497 -13.761 8.053 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.523 -14.831 5.598 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.631 -15.959 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.887 -13.801 6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.139 -15.124 6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.878 -17.418 5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.579 -17.711 6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.183 -16.788 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.366 -13.611 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.068 -15.221 4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.109 -13.877 4.567 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.446 -16.128 6.314 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.560 -16.998 6.643 1.00 0.00 C ATOM 1290 C ILE A 81 -6.197 -18.441 6.286 1.00 0.00 C ATOM 1291 O ILE A 81 -6.391 -19.351 7.091 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.844 -16.503 5.970 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.269 -15.146 6.533 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.958 -17.545 6.082 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.352 -15.187 8.060 1.00 0.00 C ATOM 0 H ILE A 81 -5.551 -15.613 5.440 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.759 -16.974 7.714 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.641 -16.362 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.556 -14.381 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.238 -14.864 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.858 -17.169 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.643 -18.468 5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.168 -17.741 7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.656 -14.209 8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.083 -15.936 8.365 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.376 -15.445 8.471 1.00 0.00 H new ATOM 1307 N ASN A 82 -5.677 -18.606 5.079 1.00 0.00 N ATOM 1308 CA ASN A 82 -5.284 -19.923 4.606 1.00 0.00 C ATOM 1309 C ASN A 82 -4.107 -19.783 3.639 1.00 0.00 C ATOM 1310 O ASN A 82 -4.287 -19.374 2.492 1.00 0.00 O ATOM 1311 CB ASN A 82 -6.432 -20.605 3.859 1.00 0.00 C ATOM 1312 CG ASN A 82 -6.761 -21.963 4.481 1.00 0.00 C ATOM 1313 OD1 ASN A 82 -6.052 -22.472 5.333 1.00 0.00 O ATOM 1314 ND2 ASN A 82 -7.873 -22.520 4.007 1.00 0.00 N ATOM 0 H ASN A 82 -5.518 -17.849 4.414 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.010 -20.525 5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.315 -19.967 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.161 -20.737 2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.178 -23.428 4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.420 -22.039 3.293 1.00 0.00 H new ATOM 1321 N GLN A 83 -2.930 -20.130 4.136 1.00 0.00 N ATOM 1322 CA GLN A 83 -1.723 -20.049 3.330 1.00 0.00 C ATOM 1323 C GLN A 83 -0.542 -20.672 4.077 1.00 0.00 C ATOM 1324 O GLN A 83 -0.592 -20.839 5.294 1.00 0.00 O ATOM 1325 CB GLN A 83 -1.422 -18.600 2.939 1.00 0.00 C ATOM 1326 CG GLN A 83 -1.006 -18.504 1.470 1.00 0.00 C ATOM 1327 CD GLN A 83 -2.231 -18.462 0.556 1.00 0.00 C ATOM 1328 OE1 GLN A 83 -2.783 -19.479 0.168 1.00 0.00 O ATOM 1329 NE2 GLN A 83 -2.626 -17.234 0.232 1.00 0.00 N ATOM 0 H GLN A 83 -2.785 -20.468 5.087 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.884 -20.613 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.303 -17.982 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.627 -18.206 3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.403 -17.609 1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.382 -19.358 1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.120 -16.424 0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.435 -17.102 -0.375 1.00 0.00 H new ATOM 1338 N SER A 84 0.491 -21.000 3.315 1.00 0.00 N ATOM 1339 CA SER A 84 1.682 -21.603 3.890 1.00 0.00 C ATOM 1340 C SER A 84 2.718 -21.862 2.794 1.00 0.00 C ATOM 1341 O SER A 84 2.501 -22.693 1.914 1.00 0.00 O ATOM 1342 CB SER A 84 1.345 -22.904 4.620 1.00 0.00 C ATOM 1343 OG SER A 84 2.343 -23.255 5.575 1.00 0.00 O ATOM 0 H SER A 84 0.528 -20.860 2.305 1.00 0.00 H new ATOM 0 HA SER A 84 2.099 -20.908 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.383 -22.799 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.239 -23.710 3.894 1.00 0.00 H new ATOM 0 HG SER A 84 2.090 -24.090 6.021 1.00 0.00 H new ATOM 1349 N GLY A 85 3.821 -21.135 2.883 1.00 0.00 N ATOM 1350 CA GLY A 85 4.892 -21.276 1.910 1.00 0.00 C ATOM 1351 C GLY A 85 5.969 -20.210 2.122 1.00 0.00 C ATOM 1352 O GLY A 85 5.657 -19.046 2.369 1.00 0.00 O ATOM 0 H GLY A 85 3.997 -20.446 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.336 -22.268 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.486 -21.192 0.902 1.00 0.00 H new ATOM 1356 N PRO A 86 7.248 -20.657 2.014 1.00 0.00 N ATOM 1357 CA PRO A 86 8.375 -19.757 2.191 1.00 0.00 C ATOM 1358 C PRO A 86 8.551 -18.854 0.969 1.00 0.00 C ATOM 1359 O PRO A 86 8.116 -19.198 -0.130 1.00 0.00 O ATOM 1360 CB PRO A 86 9.570 -20.663 2.437 1.00 0.00 C ATOM 1361 CG PRO A 86 9.162 -22.037 1.931 1.00 0.00 C ATOM 1362 CD PRO A 86 7.656 -22.030 1.722 1.00 0.00 C ATOM 0 HA PRO A 86 8.237 -19.069 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.452 -20.299 1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.823 -20.696 3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.676 -22.268 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.444 -22.807 2.649 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.396 -22.312 0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.161 -22.740 2.385 1.00 0.00 H new ATOM 1370 N SER A 87 9.190 -17.716 1.200 1.00 0.00 N ATOM 1371 CA SER A 87 9.429 -16.761 0.132 1.00 0.00 C ATOM 1372 C SER A 87 10.897 -16.326 0.137 1.00 0.00 C ATOM 1373 O SER A 87 11.462 -16.053 1.194 1.00 0.00 O ATOM 1374 CB SER A 87 8.514 -15.542 0.267 1.00 0.00 C ATOM 1375 OG SER A 87 8.794 -14.793 1.446 1.00 0.00 O ATOM 0 H SER A 87 9.550 -17.434 2.112 1.00 0.00 H new ATOM 0 HA SER A 87 9.204 -17.247 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.633 -14.901 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.474 -15.869 0.283 1.00 0.00 H new ATOM 0 HG SER A 87 8.662 -15.361 2.234 1.00 0.00 H new ATOM 1381 N SER A 88 11.470 -16.276 -1.056 1.00 0.00 N ATOM 1382 CA SER A 88 12.860 -15.878 -1.201 1.00 0.00 C ATOM 1383 C SER A 88 13.174 -15.602 -2.673 1.00 0.00 C ATOM 1384 O SER A 88 13.163 -16.515 -3.497 1.00 0.00 O ATOM 1385 CB SER A 88 13.800 -16.953 -0.652 1.00 0.00 C ATOM 1386 OG SER A 88 13.441 -18.258 -1.100 1.00 0.00 O ATOM 0 H SER A 88 10.998 -16.504 -1.931 1.00 0.00 H new ATOM 0 HA SER A 88 13.017 -14.966 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.822 -16.732 -0.961 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.783 -16.927 0.438 1.00 0.00 H new ATOM 0 HG SER A 88 13.221 -18.227 -2.054 1.00 0.00 H new ATOM 1392 N GLY A 89 13.447 -14.337 -2.958 1.00 0.00 N ATOM 1393 CA GLY A 89 13.763 -13.928 -4.317 1.00 0.00 C ATOM 1394 C GLY A 89 12.750 -14.498 -5.311 1.00 0.00 C ATOM 1395 O GLY A 89 13.112 -15.273 -6.196 1.00 0.00 O ATOM 0 H GLY A 89 13.456 -13.582 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.768 -12.840 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.765 -14.267 -4.579 1.00 0.00 H new TER 1399 GLY A 89