USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 687 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 58 ASN : amide:sc= 0.202 K(o=0.81,f=-5!) USER MOD Set 1.2: A 84 SER OG : rot 82:sc= 0.608 USER MOD Set 2.1: A 34 GLN : amide:sc= -0.919 K(o=-1.3,f=-5.1) USER MOD Set 2.2: A 67 HIS : no HE2:sc= -0.38 K(o=-1.3,f=-3.9) USER MOD Set 3.1: A 30 SER OG : rot -110:sc= 0.963 USER MOD Set 3.2: A 32 THR OG1 : rot -1:sc= 0.879 USER MOD Set 4.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 6 SER OG : rot 130:sc= 0 USER MOD Single : A 2 SER OG : rot 12:sc= 0.478 USER MOD Single : A 3 SER OG : rot -16:sc= 1 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -168:sc= 0 (180deg=-0.0155) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -133:sc= 2.27 (180deg=-0.15) USER MOD Single : A 21 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.0188 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0124 K(o=-0.012,f=-1.1) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 45 CYS SG : rot -18:sc= -1.39! USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0673 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 60 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.24) USER MOD Single : A 64 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.02) USER MOD Single : A 77 CYS SG : rot 63:sc= 0.366 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -170:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -0:sc= 0.622 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.100 10.583 -19.903 1.00 0.00 N ATOM 2 CA GLY A 1 -3.088 11.670 -20.893 1.00 0.00 C ATOM 3 C GLY A 1 -4.310 12.556 -20.707 1.00 0.00 C ATOM 4 O GLY A 1 -4.508 13.123 -19.632 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.262 9.982 -20.037 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.087 10.986 -18.944 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.959 10.011 -20.026 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.179 12.262 -20.784 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.079 11.255 -21.901 1.00 0.00 H new ATOM 8 N SER A 2 -5.121 12.714 -21.749 1.00 0.00 N ATOM 9 CA SER A 2 -6.485 13.222 -21.729 1.00 0.00 C ATOM 10 C SER A 2 -7.226 12.521 -22.873 1.00 0.00 C ATOM 11 O SER A 2 -6.737 12.514 -24.006 1.00 0.00 O ATOM 12 CB SER A 2 -6.486 14.744 -21.906 1.00 0.00 C ATOM 13 OG SER A 2 -5.822 15.370 -20.818 1.00 0.00 O ATOM 0 H SER A 2 -4.820 12.473 -22.693 1.00 0.00 H new ATOM 0 HA SER A 2 -6.977 13.019 -20.778 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.993 15.008 -22.842 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.511 15.108 -21.972 1.00 0.00 H new ATOM 0 HG SER A 2 -5.346 14.694 -20.292 1.00 0.00 H new ATOM 19 N SER A 3 -8.370 11.905 -22.572 1.00 0.00 N ATOM 20 CA SER A 3 -9.080 10.893 -23.360 1.00 0.00 C ATOM 21 C SER A 3 -8.205 9.673 -23.718 1.00 0.00 C ATOM 22 O SER A 3 -7.002 9.641 -23.434 1.00 0.00 O ATOM 23 CB SER A 3 -9.803 11.542 -24.556 1.00 0.00 C ATOM 24 OG SER A 3 -8.911 12.039 -25.537 1.00 0.00 O ATOM 0 H SER A 3 -8.863 12.116 -21.704 1.00 0.00 H new ATOM 0 HA SER A 3 -9.859 10.463 -22.730 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.467 10.809 -25.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.430 12.358 -24.196 1.00 0.00 H new ATOM 0 HG SER A 3 -8.012 12.112 -25.155 1.00 0.00 H new ATOM 30 N GLY A 4 -8.811 8.650 -24.320 1.00 0.00 N ATOM 31 CA GLY A 4 -8.145 7.417 -24.703 1.00 0.00 C ATOM 32 C GLY A 4 -7.863 6.515 -23.502 1.00 0.00 C ATOM 33 O GLY A 4 -8.296 6.778 -22.376 1.00 0.00 O ATOM 0 H GLY A 4 -9.803 8.661 -24.558 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.764 6.880 -25.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.207 7.654 -25.205 1.00 0.00 H new ATOM 37 N SER A 5 -7.166 5.405 -23.745 1.00 0.00 N ATOM 38 CA SER A 5 -6.765 4.462 -22.707 1.00 0.00 C ATOM 39 C SER A 5 -5.496 4.919 -21.978 1.00 0.00 C ATOM 40 O SER A 5 -5.512 4.984 -20.747 1.00 0.00 O ATOM 41 CB SER A 5 -6.587 3.074 -23.316 1.00 0.00 C ATOM 42 OG SER A 5 -7.843 2.474 -23.559 1.00 0.00 O ATOM 0 H SER A 5 -6.862 5.134 -24.680 1.00 0.00 H new ATOM 0 HA SER A 5 -7.555 4.421 -21.957 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.027 3.149 -24.248 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.003 2.447 -22.642 1.00 0.00 H new ATOM 0 HG SER A 5 -7.711 1.586 -23.951 1.00 0.00 H new ATOM 48 N SER A 6 -4.421 5.265 -22.703 1.00 0.00 N ATOM 49 CA SER A 6 -3.128 5.683 -22.153 1.00 0.00 C ATOM 50 C SER A 6 -2.546 4.602 -21.220 1.00 0.00 C ATOM 51 O SER A 6 -2.717 4.652 -19.998 1.00 0.00 O ATOM 52 CB SER A 6 -3.295 7.069 -21.499 1.00 0.00 C ATOM 53 OG SER A 6 -2.078 7.776 -21.322 1.00 0.00 O ATOM 0 H SER A 6 -4.431 5.260 -23.723 1.00 0.00 H new ATOM 0 HA SER A 6 -2.386 5.788 -22.945 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.966 7.670 -22.113 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.776 6.945 -20.528 1.00 0.00 H new ATOM 0 HG SER A 6 -2.172 8.684 -21.680 1.00 0.00 H new ATOM 59 N GLY A 7 -1.835 3.625 -21.787 1.00 0.00 N ATOM 60 CA GLY A 7 -1.276 2.495 -21.050 1.00 0.00 C ATOM 61 C GLY A 7 0.004 2.871 -20.302 1.00 0.00 C ATOM 62 O GLY A 7 1.008 3.221 -20.937 1.00 0.00 O ATOM 0 H GLY A 7 -1.630 3.598 -22.786 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.015 2.125 -20.339 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.064 1.680 -21.743 1.00 0.00 H new ATOM 66 N GLN A 8 -0.014 2.786 -18.970 1.00 0.00 N ATOM 67 CA GLN A 8 1.169 2.738 -18.116 1.00 0.00 C ATOM 68 C GLN A 8 0.899 1.820 -16.916 1.00 0.00 C ATOM 69 O GLN A 8 -0.216 1.316 -16.749 1.00 0.00 O ATOM 70 CB GLN A 8 1.590 4.152 -17.665 1.00 0.00 C ATOM 71 CG GLN A 8 2.906 4.547 -18.337 1.00 0.00 C ATOM 72 CD GLN A 8 3.518 5.802 -17.730 1.00 0.00 C ATOM 73 OE1 GLN A 8 3.373 6.909 -18.253 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.227 5.651 -16.629 1.00 0.00 N ATOM 0 H GLN A 8 -0.885 2.747 -18.440 1.00 0.00 H new ATOM 0 HA GLN A 8 2.002 2.328 -18.687 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.812 4.871 -17.921 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.704 4.178 -16.581 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.615 3.723 -18.252 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.732 4.709 -19.401 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.333 4.725 -16.214 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.669 6.460 -16.192 1.00 0.00 H new ATOM 83 N ALA A 9 1.935 1.591 -16.102 1.00 0.00 N ATOM 84 CA ALA A 9 1.883 0.664 -14.985 1.00 0.00 C ATOM 85 C ALA A 9 1.188 1.299 -13.784 1.00 0.00 C ATOM 86 O ALA A 9 1.519 2.416 -13.369 1.00 0.00 O ATOM 87 CB ALA A 9 3.302 0.253 -14.586 1.00 0.00 C ATOM 0 H ALA A 9 2.838 2.052 -16.208 1.00 0.00 H new ATOM 0 HA ALA A 9 1.316 -0.213 -15.296 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.257 -0.442 -13.748 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.793 -0.229 -15.432 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.868 1.137 -14.294 1.00 0.00 H new ATOM 93 N GLU A 10 0.305 0.534 -13.159 1.00 0.00 N ATOM 94 CA GLU A 10 -0.281 0.780 -11.864 1.00 0.00 C ATOM 95 C GLU A 10 -0.346 -0.586 -11.182 1.00 0.00 C ATOM 96 O GLU A 10 -0.537 -1.596 -11.868 1.00 0.00 O ATOM 97 CB GLU A 10 -1.697 1.336 -12.018 1.00 0.00 C ATOM 98 CG GLU A 10 -1.819 2.663 -12.763 1.00 0.00 C ATOM 99 CD GLU A 10 -3.270 3.142 -12.738 1.00 0.00 C ATOM 100 OE1 GLU A 10 -3.830 3.347 -11.634 1.00 0.00 O ATOM 101 OE2 GLU A 10 -3.838 3.395 -13.827 1.00 0.00 O ATOM 0 H GLU A 10 -0.039 -0.330 -13.577 1.00 0.00 H new ATOM 0 HA GLU A 10 0.300 1.504 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.303 0.594 -12.538 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.127 1.459 -11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.172 3.410 -12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.484 2.544 -13.793 1.00 0.00 H new ATOM 108 N LEU A 11 -0.195 -0.606 -9.856 1.00 0.00 N ATOM 109 CA LEU A 11 -0.345 -1.764 -8.966 1.00 0.00 C ATOM 110 C LEU A 11 0.449 -2.987 -9.472 1.00 0.00 C ATOM 111 O LEU A 11 1.432 -2.831 -10.203 1.00 0.00 O ATOM 112 CB LEU A 11 -1.855 -2.001 -8.735 1.00 0.00 C ATOM 113 CG LEU A 11 -2.477 -0.917 -7.823 1.00 0.00 C ATOM 114 CD1 LEU A 11 -3.459 -0.012 -8.561 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.233 -1.519 -6.644 1.00 0.00 C ATOM 0 H LEU A 11 0.051 0.239 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 11 0.102 -1.569 -7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.372 -2.008 -9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.004 -2.983 -8.285 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.623 -0.335 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.862 0.728 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.944 0.496 -9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.274 -0.613 -8.965 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.651 -0.719 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.039 -2.152 -7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.550 -2.117 -6.041 1.00 0.00 H new ATOM 127 N MET A 12 0.116 -4.194 -9.013 1.00 0.00 N ATOM 128 CA MET A 12 0.328 -5.455 -9.715 1.00 0.00 C ATOM 129 C MET A 12 -0.873 -6.350 -9.443 1.00 0.00 C ATOM 130 O MET A 12 -1.407 -6.326 -8.336 1.00 0.00 O ATOM 131 CB MET A 12 1.580 -6.201 -9.232 1.00 0.00 C ATOM 132 CG MET A 12 2.867 -5.735 -9.902 1.00 0.00 C ATOM 133 SD MET A 12 4.194 -6.974 -9.857 1.00 0.00 S ATOM 134 CE MET A 12 4.484 -7.063 -8.073 1.00 0.00 C ATOM 0 H MET A 12 -0.327 -4.322 -8.103 1.00 0.00 H new ATOM 0 HA MET A 12 0.457 -5.228 -10.773 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.675 -6.073 -8.154 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.450 -7.267 -9.416 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.655 -5.478 -10.940 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.213 -4.825 -9.413 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.405 -7.613 -7.881 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.572 -6.055 -7.668 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.649 -7.575 -7.594 1.00 0.00 H new ATOM 144 N THR A 13 -1.241 -7.202 -10.394 1.00 0.00 N ATOM 145 CA THR A 13 -2.154 -8.318 -10.180 1.00 0.00 C ATOM 146 C THR A 13 -1.301 -9.578 -10.021 1.00 0.00 C ATOM 147 O THR A 13 -0.283 -9.726 -10.703 1.00 0.00 O ATOM 148 CB THR A 13 -3.127 -8.413 -11.366 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.703 -7.149 -11.657 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.254 -9.422 -11.147 1.00 0.00 C ATOM 0 H THR A 13 -0.906 -7.134 -11.355 1.00 0.00 H new ATOM 0 HA THR A 13 -2.760 -8.186 -9.284 1.00 0.00 H new ATOM 0 HB THR A 13 -2.524 -8.759 -12.205 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.317 -7.236 -12.416 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.903 -9.438 -12.022 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.829 -10.414 -10.992 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.834 -9.135 -10.270 1.00 0.00 H new ATOM 158 N LEU A 14 -1.702 -10.487 -9.133 1.00 0.00 N ATOM 159 CA LEU A 14 -1.063 -11.776 -8.885 1.00 0.00 C ATOM 160 C LEU A 14 -2.187 -12.804 -8.728 1.00 0.00 C ATOM 161 O LEU A 14 -3.310 -12.426 -8.379 1.00 0.00 O ATOM 162 CB LEU A 14 -0.216 -11.726 -7.593 1.00 0.00 C ATOM 163 CG LEU A 14 0.892 -10.653 -7.526 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.467 -10.585 -6.105 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.044 -10.933 -8.494 1.00 0.00 C ATOM 0 H LEU A 14 -2.519 -10.337 -8.541 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.396 -12.037 -9.707 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.890 -11.570 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.248 -12.702 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 14 0.428 -9.708 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.248 -9.826 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.674 -10.327 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.888 -11.554 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.794 -10.147 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.496 -11.895 -8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.664 -10.957 -9.515 1.00 0.00 H new ATOM 177 N THR A 15 -1.888 -14.093 -8.881 1.00 0.00 N ATOM 178 CA THR A 15 -2.874 -15.150 -8.672 1.00 0.00 C ATOM 179 C THR A 15 -2.274 -16.224 -7.757 1.00 0.00 C ATOM 180 O THR A 15 -1.073 -16.503 -7.827 1.00 0.00 O ATOM 181 CB THR A 15 -3.344 -15.709 -10.029 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.577 -14.689 -10.988 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.660 -16.477 -9.929 1.00 0.00 C ATOM 0 H THR A 15 -0.964 -14.431 -9.151 1.00 0.00 H new ATOM 0 HA THR A 15 -3.760 -14.755 -8.175 1.00 0.00 H new ATOM 0 HB THR A 15 -2.528 -16.364 -10.335 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.871 -15.093 -11.831 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.941 -16.847 -10.915 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.539 -17.318 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.440 -15.815 -9.554 1.00 0.00 H new ATOM 191 N ILE A 16 -3.095 -16.829 -6.898 1.00 0.00 N ATOM 192 CA ILE A 16 -2.688 -17.782 -5.868 1.00 0.00 C ATOM 193 C ILE A 16 -3.681 -18.943 -5.792 1.00 0.00 C ATOM 194 O ILE A 16 -4.864 -18.748 -6.079 1.00 0.00 O ATOM 195 CB ILE A 16 -2.564 -17.056 -4.506 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.743 -16.132 -4.145 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.245 -16.270 -4.434 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.571 -15.502 -2.759 1.00 0.00 C ATOM 0 H ILE A 16 -4.101 -16.661 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.714 -18.198 -6.126 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.580 -17.853 -3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.830 -15.344 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.672 -16.701 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.174 -15.766 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.406 -16.956 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.219 -15.530 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.424 -14.858 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.511 -16.289 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.656 -14.911 -2.739 1.00 0.00 H new ATOM 210 N VAL A 17 -3.217 -20.122 -5.365 1.00 0.00 N ATOM 211 CA VAL A 17 -4.013 -21.353 -5.315 1.00 0.00 C ATOM 212 C VAL A 17 -4.002 -21.912 -3.900 1.00 0.00 C ATOM 213 O VAL A 17 -3.085 -22.627 -3.492 1.00 0.00 O ATOM 214 CB VAL A 17 -3.547 -22.391 -6.352 1.00 0.00 C ATOM 215 CG1 VAL A 17 -4.406 -23.668 -6.295 1.00 0.00 C ATOM 216 CG2 VAL A 17 -3.663 -21.821 -7.763 1.00 0.00 C ATOM 0 H VAL A 17 -2.259 -20.250 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.041 -21.109 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.511 -22.633 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.050 -24.380 -7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.331 -24.113 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.446 -23.416 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.330 -22.566 -8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.701 -21.559 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.041 -20.930 -7.848 1.00 0.00 H new ATOM 226 N LYS A 18 -5.077 -21.605 -3.179 1.00 0.00 N ATOM 227 CA LYS A 18 -5.387 -22.031 -1.822 1.00 0.00 C ATOM 228 C LYS A 18 -5.084 -23.515 -1.629 1.00 0.00 C ATOM 229 O LYS A 18 -5.737 -24.368 -2.241 1.00 0.00 O ATOM 230 CB LYS A 18 -6.866 -21.710 -1.620 1.00 0.00 C ATOM 231 CG LYS A 18 -7.346 -21.629 -0.169 1.00 0.00 C ATOM 232 CD LYS A 18 -8.857 -21.379 -0.186 1.00 0.00 C ATOM 233 CE LYS A 18 -9.396 -21.195 1.228 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.824 -21.534 1.352 1.00 0.00 N ATOM 0 H LYS A 18 -5.809 -21.005 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.775 -21.516 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.080 -20.758 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.455 -22.469 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.118 -22.554 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.832 -20.825 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.076 -20.492 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.363 -22.217 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.820 -21.817 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.247 -20.160 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.315 -20.782 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.243 -21.625 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.924 -22.435 1.862 1.00 0.00 H new ATOM 248 N GLY A 19 -4.078 -23.819 -0.809 1.00 0.00 N ATOM 249 CA GLY A 19 -3.603 -25.174 -0.575 1.00 0.00 C ATOM 250 C GLY A 19 -4.620 -25.967 0.221 1.00 0.00 C ATOM 251 O GLY A 19 -5.207 -26.915 -0.303 1.00 0.00 O ATOM 0 H GLY A 19 -3.564 -23.114 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.414 -25.668 -1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.655 -25.145 -0.037 1.00 0.00 H new ATOM 255 N ALA A 20 -4.820 -25.588 1.485 1.00 0.00 N ATOM 256 CA ALA A 20 -5.732 -26.225 2.423 1.00 0.00 C ATOM 257 C ALA A 20 -5.833 -25.351 3.673 1.00 0.00 C ATOM 258 O ALA A 20 -4.844 -24.717 4.050 1.00 0.00 O ATOM 259 CB ALA A 20 -5.171 -27.585 2.834 1.00 0.00 C ATOM 0 H ALA A 20 -4.327 -24.795 1.895 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.709 -26.351 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.854 -28.063 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.060 -28.215 1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.199 -27.449 3.308 1.00 0.00 H new ATOM 265 N GLN A 21 -6.979 -25.383 4.367 1.00 0.00 N ATOM 266 CA GLN A 21 -7.316 -24.489 5.484 1.00 0.00 C ATOM 267 C GLN A 21 -6.865 -23.053 5.188 1.00 0.00 C ATOM 268 O GLN A 21 -6.052 -22.472 5.914 1.00 0.00 O ATOM 269 CB GLN A 21 -6.774 -25.012 6.834 1.00 0.00 C ATOM 270 CG GLN A 21 -7.268 -26.415 7.215 1.00 0.00 C ATOM 271 CD GLN A 21 -8.791 -26.502 7.200 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.482 -25.787 7.920 1.00 0.00 O ATOM 273 NE2 GLN A 21 -9.346 -27.337 6.349 1.00 0.00 N ATOM 0 H GLN A 21 -7.720 -26.053 4.160 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.401 -24.476 5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.685 -25.022 6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.059 -24.314 7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.855 -27.147 6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.899 -26.673 8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.760 -27.926 5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.362 -27.396 6.281 1.00 0.00 H new ATOM 282 N GLY A 22 -7.357 -22.497 4.079 1.00 0.00 N ATOM 283 CA GLY A 22 -6.896 -21.199 3.621 1.00 0.00 C ATOM 284 C GLY A 22 -5.536 -21.309 2.952 1.00 0.00 C ATOM 285 O GLY A 22 -5.262 -22.266 2.223 1.00 0.00 O ATOM 0 H GLY A 22 -8.070 -22.927 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.617 -20.780 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.836 -20.512 4.465 1.00 0.00 H new ATOM 289 N PHE A 23 -4.722 -20.281 3.161 1.00 0.00 N ATOM 290 CA PHE A 23 -3.434 -20.083 2.524 1.00 0.00 C ATOM 291 C PHE A 23 -2.343 -20.220 3.600 1.00 0.00 C ATOM 292 O PHE A 23 -2.622 -20.119 4.799 1.00 0.00 O ATOM 293 CB PHE A 23 -3.434 -18.712 1.816 1.00 0.00 C ATOM 294 CG PHE A 23 -4.507 -18.524 0.738 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.862 -18.326 1.086 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.156 -18.532 -0.628 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.842 -18.153 0.092 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.142 -18.382 -1.620 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.483 -18.172 -1.262 1.00 0.00 C ATOM 0 H PHE A 23 -4.957 -19.530 3.810 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.232 -20.831 1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.561 -17.934 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.456 -18.558 1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.149 -18.307 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.122 -18.654 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.874 -18.005 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.866 -18.429 -2.663 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.233 -18.026 -2.025 1.00 0.00 H new ATOM 309 N GLY A 24 -1.103 -20.476 3.187 1.00 0.00 N ATOM 310 CA GLY A 24 0.030 -20.711 4.076 1.00 0.00 C ATOM 311 C GLY A 24 0.587 -19.394 4.593 1.00 0.00 C ATOM 312 O GLY A 24 0.858 -19.250 5.784 1.00 0.00 O ATOM 0 H GLY A 24 -0.854 -20.527 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.282 -21.334 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.809 -21.258 3.545 1.00 0.00 H new ATOM 316 N PHE A 25 0.765 -18.432 3.689 1.00 0.00 N ATOM 317 CA PHE A 25 1.142 -17.064 4.011 1.00 0.00 C ATOM 318 C PHE A 25 0.118 -16.416 4.949 1.00 0.00 C ATOM 319 O PHE A 25 -0.960 -16.957 5.228 1.00 0.00 O ATOM 320 CB PHE A 25 1.372 -16.242 2.726 1.00 0.00 C ATOM 321 CG PHE A 25 0.127 -15.739 2.013 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.453 -14.512 2.395 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.443 -16.479 0.960 1.00 0.00 C ATOM 324 CE1 PHE A 25 -1.637 -14.065 1.782 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.621 -16.023 0.343 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.222 -14.823 0.757 1.00 0.00 C ATOM 0 H PHE A 25 0.647 -18.590 2.688 1.00 0.00 H new ATOM 0 HA PHE A 25 2.090 -17.083 4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.993 -15.382 2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.942 -16.853 2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.014 -13.912 3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.023 -17.394 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.095 -13.140 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.067 -16.599 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.133 -14.484 0.287 1.00 0.00 H new ATOM 336 N THR A 26 0.481 -15.246 5.455 1.00 0.00 N ATOM 337 CA THR A 26 -0.295 -14.511 6.432 1.00 0.00 C ATOM 338 C THR A 26 -0.405 -13.058 6.004 1.00 0.00 C ATOM 339 O THR A 26 0.438 -12.557 5.248 1.00 0.00 O ATOM 340 CB THR A 26 0.377 -14.672 7.804 1.00 0.00 C ATOM 341 OG1 THR A 26 1.775 -14.471 7.712 1.00 0.00 O ATOM 342 CG2 THR A 26 0.178 -16.084 8.337 1.00 0.00 C ATOM 0 H THR A 26 1.345 -14.774 5.188 1.00 0.00 H new ATOM 0 HA THR A 26 -1.311 -14.899 6.503 1.00 0.00 H new ATOM 0 HB THR A 26 -0.078 -13.933 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.199 -14.731 8.556 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.661 -16.177 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.888 -16.287 8.441 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.618 -16.800 7.643 1.00 0.00 H new ATOM 350 N ILE A 27 -1.407 -12.359 6.529 1.00 0.00 N ATOM 351 CA ILE A 27 -1.562 -10.931 6.348 1.00 0.00 C ATOM 352 C ILE A 27 -1.504 -10.248 7.710 1.00 0.00 C ATOM 353 O ILE A 27 -1.991 -10.753 8.718 1.00 0.00 O ATOM 354 CB ILE A 27 -2.809 -10.580 5.511 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.110 -11.175 6.084 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.597 -11.059 4.065 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.371 -10.522 5.509 1.00 0.00 C ATOM 0 H ILE A 27 -2.141 -12.780 7.099 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.734 -10.543 5.755 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.929 -9.497 5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.135 -12.245 5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.109 -11.059 7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.475 -10.814 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.722 -10.565 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.443 -12.138 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.254 -10.984 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.366 -9.456 5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.392 -10.661 4.428 1.00 0.00 H new ATOM 369 N ALA A 28 -0.866 -9.089 7.720 1.00 0.00 N ATOM 370 CA ALA A 28 -0.831 -8.125 8.785 1.00 0.00 C ATOM 371 C ALA A 28 -1.854 -7.065 8.416 1.00 0.00 C ATOM 372 O ALA A 28 -1.871 -6.576 7.284 1.00 0.00 O ATOM 373 CB ALA A 28 0.568 -7.506 8.850 1.00 0.00 C ATOM 0 H ALA A 28 -0.319 -8.783 6.915 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.053 -8.569 9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.604 -6.773 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.304 -8.288 9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.793 -7.016 7.903 1.00 0.00 H new ATOM 379 N ASP A 29 -2.684 -6.683 9.374 1.00 0.00 N ATOM 380 CA ASP A 29 -3.450 -5.453 9.254 1.00 0.00 C ATOM 381 C ASP A 29 -2.481 -4.281 9.413 1.00 0.00 C ATOM 382 O ASP A 29 -1.538 -4.343 10.213 1.00 0.00 O ATOM 383 CB ASP A 29 -4.572 -5.454 10.296 1.00 0.00 C ATOM 384 CG ASP A 29 -4.933 -4.070 10.831 1.00 0.00 C ATOM 385 OD1 ASP A 29 -4.180 -3.530 11.677 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.038 -3.610 10.479 1.00 0.00 O ATOM 0 H ASP A 29 -2.844 -7.203 10.237 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.931 -5.363 8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.462 -5.904 9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.276 -6.088 11.132 1.00 0.00 H new ATOM 391 N SER A 30 -2.704 -3.228 8.633 1.00 0.00 N ATOM 392 CA SER A 30 -1.930 -2.004 8.632 1.00 0.00 C ATOM 393 C SER A 30 -2.902 -0.821 8.760 1.00 0.00 C ATOM 394 O SER A 30 -4.113 -0.977 8.563 1.00 0.00 O ATOM 395 CB SER A 30 -1.078 -1.971 7.344 1.00 0.00 C ATOM 396 OG SER A 30 -1.744 -1.298 6.285 1.00 0.00 O ATOM 0 H SER A 30 -3.466 -3.210 7.955 1.00 0.00 H new ATOM 0 HA SER A 30 -1.239 -1.944 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.129 -1.475 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.845 -2.991 7.037 1.00 0.00 H new ATOM 0 HG SER A 30 -2.003 -1.946 5.597 1.00 0.00 H new ATOM 402 N PRO A 31 -2.377 0.394 8.988 1.00 0.00 N ATOM 403 CA PRO A 31 -3.148 1.634 8.981 1.00 0.00 C ATOM 404 C PRO A 31 -3.681 2.013 7.595 1.00 0.00 C ATOM 405 O PRO A 31 -4.240 3.101 7.451 1.00 0.00 O ATOM 406 CB PRO A 31 -2.195 2.710 9.521 1.00 0.00 C ATOM 407 CG PRO A 31 -0.804 2.149 9.241 1.00 0.00 C ATOM 408 CD PRO A 31 -0.991 0.653 9.326 1.00 0.00 C ATOM 0 HA PRO A 31 -4.043 1.524 9.593 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.348 3.666 9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.349 2.881 10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.442 2.451 8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.076 2.503 9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.321 0.138 8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.761 0.289 10.327 1.00 0.00 H new ATOM 416 N THR A 32 -3.488 1.184 6.566 1.00 0.00 N ATOM 417 CA THR A 32 -3.877 1.489 5.198 1.00 0.00 C ATOM 418 C THR A 32 -4.651 0.339 4.549 1.00 0.00 C ATOM 419 O THR A 32 -5.530 0.592 3.721 1.00 0.00 O ATOM 420 CB THR A 32 -2.641 1.947 4.400 1.00 0.00 C ATOM 421 OG1 THR A 32 -1.525 1.067 4.475 1.00 0.00 O ATOM 422 CG2 THR A 32 -2.164 3.311 4.915 1.00 0.00 C ATOM 0 H THR A 32 -3.050 0.269 6.668 1.00 0.00 H new ATOM 0 HA THR A 32 -4.583 2.320 5.200 1.00 0.00 H new ATOM 0 HB THR A 32 -2.976 1.977 3.363 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.747 0.305 5.050 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.290 3.629 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.961 4.044 4.795 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.901 3.230 5.970 1.00 0.00 H new ATOM 430 N GLY A 33 -4.443 -0.912 4.955 1.00 0.00 N ATOM 431 CA GLY A 33 -5.091 -2.059 4.343 1.00 0.00 C ATOM 432 C GLY A 33 -4.549 -3.332 4.961 1.00 0.00 C ATOM 433 O GLY A 33 -3.884 -3.301 5.998 1.00 0.00 O ATOM 0 H GLY A 33 -3.816 -1.154 5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.170 -2.002 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.914 -2.060 3.267 1.00 0.00 H new ATOM 437 N GLN A 34 -4.827 -4.458 4.318 1.00 0.00 N ATOM 438 CA GLN A 34 -4.131 -5.695 4.626 1.00 0.00 C ATOM 439 C GLN A 34 -2.827 -5.691 3.848 1.00 0.00 C ATOM 440 O GLN A 34 -2.809 -5.258 2.698 1.00 0.00 O ATOM 441 CB GLN A 34 -5.025 -6.892 4.282 1.00 0.00 C ATOM 442 CG GLN A 34 -6.361 -6.827 5.044 1.00 0.00 C ATOM 443 CD GLN A 34 -6.153 -6.438 6.507 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.492 -7.152 7.255 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.677 -5.297 6.929 1.00 0.00 N ATOM 0 H GLN A 34 -5.528 -4.538 3.582 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.903 -5.777 5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.216 -6.910 3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.507 -7.819 4.529 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.020 -6.103 4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.859 -7.795 4.991 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.223 -4.719 6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.534 -4.996 7.893 1.00 0.00 H new ATOM 454 N ARG A 35 -1.746 -6.120 4.488 1.00 0.00 N ATOM 455 CA ARG A 35 -0.401 -6.245 3.945 1.00 0.00 C ATOM 456 C ARG A 35 0.078 -7.642 4.241 1.00 0.00 C ATOM 457 O ARG A 35 -0.430 -8.309 5.133 1.00 0.00 O ATOM 458 CB ARG A 35 0.533 -5.255 4.632 1.00 0.00 C ATOM 459 CG ARG A 35 0.269 -3.793 4.287 1.00 0.00 C ATOM 460 CD ARG A 35 1.401 -2.993 4.931 1.00 0.00 C ATOM 461 NE ARG A 35 1.095 -1.558 4.975 1.00 0.00 N ATOM 462 CZ ARG A 35 1.604 -0.659 5.827 1.00 0.00 C ATOM 463 NH1 ARG A 35 2.574 -0.946 6.688 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.097 0.561 5.862 1.00 0.00 N ATOM 0 H ARG A 35 -1.790 -6.409 5.465 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.408 -6.043 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.446 -5.382 5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.561 -5.499 4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.252 -3.644 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.701 -3.472 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.575 -3.359 5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.323 -3.152 4.371 1.00 0.00 H new ATOM 0 HE ARG A 35 0.427 -1.210 4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.965 -1.887 6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.928 -0.225 7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.325 0.810 5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.478 1.253 6.507 1.00 0.00 H new ATOM 478 N VAL A 36 1.113 -8.069 3.540 1.00 0.00 N ATOM 479 CA VAL A 36 1.623 -9.416 3.718 1.00 0.00 C ATOM 480 C VAL A 36 2.443 -9.408 4.997 1.00 0.00 C ATOM 481 O VAL A 36 3.371 -8.605 5.151 1.00 0.00 O ATOM 482 CB VAL A 36 2.402 -9.830 2.471 1.00 0.00 C ATOM 483 CG1 VAL A 36 3.124 -11.171 2.656 1.00 0.00 C ATOM 484 CG2 VAL A 36 1.459 -9.985 1.281 1.00 0.00 C ATOM 0 H VAL A 36 1.612 -7.509 2.849 1.00 0.00 H new ATOM 0 HA VAL A 36 0.836 -10.162 3.828 1.00 0.00 H new ATOM 0 HB VAL A 36 3.136 -9.043 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.664 -11.423 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.828 -11.094 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.394 -11.951 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.030 -10.280 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.714 -10.749 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.958 -9.036 1.088 1.00 0.00 H new ATOM 494 N LYS A 37 2.073 -10.285 5.927 1.00 0.00 N ATOM 495 CA LYS A 37 2.833 -10.527 7.135 1.00 0.00 C ATOM 496 C LYS A 37 4.048 -11.359 6.756 1.00 0.00 C ATOM 497 O LYS A 37 5.154 -10.824 6.832 1.00 0.00 O ATOM 498 CB LYS A 37 1.923 -11.148 8.210 1.00 0.00 C ATOM 499 CG LYS A 37 2.613 -11.807 9.415 1.00 0.00 C ATOM 500 CD LYS A 37 3.757 -10.960 9.967 1.00 0.00 C ATOM 501 CE LYS A 37 4.113 -11.381 11.385 1.00 0.00 C ATOM 502 NZ LYS A 37 5.481 -10.950 11.722 1.00 0.00 N ATOM 0 H LYS A 37 1.227 -10.850 5.855 1.00 0.00 H new ATOM 0 HA LYS A 37 3.205 -9.608 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.260 -10.368 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.294 -11.897 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.878 -11.977 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.997 -12.784 9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.631 -11.060 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.473 -9.908 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.404 -10.945 12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.032 -12.464 11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.709 -11.245 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.155 -11.386 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.546 -9.915 11.650 1.00 0.00 H new ATOM 516 N GLN A 38 3.883 -12.632 6.401 1.00 0.00 N ATOM 517 CA GLN A 38 5.004 -13.534 6.178 1.00 0.00 C ATOM 518 C GLN A 38 4.614 -14.561 5.117 1.00 0.00 C ATOM 519 O GLN A 38 3.431 -14.850 4.935 1.00 0.00 O ATOM 520 CB GLN A 38 5.339 -14.231 7.516 1.00 0.00 C ATOM 521 CG GLN A 38 6.636 -15.059 7.459 1.00 0.00 C ATOM 522 CD GLN A 38 7.302 -15.305 8.818 1.00 0.00 C ATOM 523 OE1 GLN A 38 6.985 -14.695 9.831 1.00 0.00 O ATOM 524 NE2 GLN A 38 8.279 -16.194 8.883 1.00 0.00 N ATOM 0 H GLN A 38 2.969 -13.063 6.261 1.00 0.00 H new ATOM 0 HA GLN A 38 5.880 -12.988 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.430 -13.477 8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.511 -14.883 7.796 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.416 -16.022 6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.347 -14.550 6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.555 -16.711 8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.757 -16.363 9.768 1.00 0.00 H new ATOM 533 N ILE A 39 5.608 -15.173 4.468 1.00 0.00 N ATOM 534 CA ILE A 39 5.428 -16.245 3.498 1.00 0.00 C ATOM 535 C ILE A 39 6.122 -17.483 4.063 1.00 0.00 C ATOM 536 O ILE A 39 7.321 -17.468 4.353 1.00 0.00 O ATOM 537 CB ILE A 39 5.940 -15.809 2.105 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.985 -14.718 1.569 1.00 0.00 C ATOM 539 CG2 ILE A 39 6.033 -17.016 1.156 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.383 -14.107 0.218 1.00 0.00 C ATOM 0 H ILE A 39 6.587 -14.926 4.610 1.00 0.00 H new ATOM 0 HA ILE A 39 4.376 -16.485 3.342 1.00 0.00 H new ATOM 0 HB ILE A 39 6.948 -15.400 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.987 -15.145 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.922 -13.918 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.395 -16.686 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.723 -17.752 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.047 -17.467 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.650 -13.353 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.366 -13.644 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.416 -14.890 -0.540 1.00 0.00 H new ATOM 552 N LEU A 40 5.341 -18.545 4.249 1.00 0.00 N ATOM 553 CA LEU A 40 5.795 -19.858 4.718 1.00 0.00 C ATOM 554 C LEU A 40 5.833 -20.867 3.570 1.00 0.00 C ATOM 555 O LEU A 40 6.405 -21.949 3.701 1.00 0.00 O ATOM 556 CB LEU A 40 4.811 -20.404 5.764 1.00 0.00 C ATOM 557 CG LEU A 40 4.326 -19.407 6.827 1.00 0.00 C ATOM 558 CD1 LEU A 40 3.304 -20.118 7.704 1.00 0.00 C ATOM 559 CD2 LEU A 40 5.476 -18.828 7.657 1.00 0.00 C ATOM 0 H LEU A 40 4.337 -18.517 4.071 1.00 0.00 H new ATOM 0 HA LEU A 40 6.792 -19.729 5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.939 -20.798 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.284 -21.244 6.273 1.00 0.00 H new ATOM 0 HG LEU A 40 3.867 -18.551 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.942 -19.432 8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.467 -20.452 7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.771 -20.980 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.078 -18.130 8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.998 -19.636 8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.172 -18.306 7.000 1.00 0.00 H new ATOM 571 N ASP A 41 5.133 -20.532 2.487 1.00 0.00 N ATOM 572 CA ASP A 41 4.707 -21.417 1.425 1.00 0.00 C ATOM 573 C ASP A 41 4.837 -20.631 0.127 1.00 0.00 C ATOM 574 O ASP A 41 3.892 -19.985 -0.328 1.00 0.00 O ATOM 575 CB ASP A 41 3.264 -21.844 1.712 1.00 0.00 C ATOM 576 CG ASP A 41 2.577 -22.534 0.537 1.00 0.00 C ATOM 577 OD1 ASP A 41 3.267 -23.044 -0.376 1.00 0.00 O ATOM 578 OD2 ASP A 41 1.324 -22.546 0.571 1.00 0.00 O ATOM 0 H ASP A 41 4.833 -19.570 2.326 1.00 0.00 H new ATOM 0 HA ASP A 41 5.307 -22.324 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.259 -22.517 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.685 -20.965 1.993 1.00 0.00 H new ATOM 583 N ILE A 42 6.053 -20.605 -0.408 1.00 0.00 N ATOM 584 CA ILE A 42 6.461 -19.745 -1.514 1.00 0.00 C ATOM 585 C ILE A 42 5.695 -20.105 -2.790 1.00 0.00 C ATOM 586 O ILE A 42 5.324 -19.223 -3.568 1.00 0.00 O ATOM 587 CB ILE A 42 8.004 -19.839 -1.624 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.590 -19.020 -0.451 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.569 -19.363 -2.969 1.00 0.00 C ATOM 590 CD1 ILE A 42 10.097 -19.155 -0.245 1.00 0.00 C ATOM 0 H ILE A 42 6.808 -21.203 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 42 6.206 -18.699 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 42 8.293 -20.888 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.355 -17.968 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.087 -19.322 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.655 -19.462 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.154 -19.970 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.301 -18.318 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.405 -18.541 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.345 -20.198 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.618 -18.823 -1.143 1.00 0.00 H new ATOM 602 N GLN A 43 5.418 -21.388 -3.023 1.00 0.00 N ATOM 603 CA GLN A 43 4.551 -21.784 -4.126 1.00 0.00 C ATOM 604 C GLN A 43 3.097 -21.370 -3.923 1.00 0.00 C ATOM 605 O GLN A 43 2.393 -21.140 -4.910 1.00 0.00 O ATOM 606 CB GLN A 43 4.666 -23.286 -4.391 1.00 0.00 C ATOM 607 CG GLN A 43 5.574 -23.544 -5.604 1.00 0.00 C ATOM 608 CD GLN A 43 5.254 -24.841 -6.338 1.00 0.00 C ATOM 609 OE1 GLN A 43 4.589 -25.732 -5.817 1.00 0.00 O ATOM 610 NE2 GLN A 43 5.656 -24.942 -7.591 1.00 0.00 N ATOM 0 H GLN A 43 5.779 -22.163 -2.467 1.00 0.00 H new ATOM 0 HA GLN A 43 4.899 -21.244 -5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.070 -23.788 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.677 -23.707 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.483 -22.710 -6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.612 -23.570 -5.272 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.208 -24.194 -8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.415 -25.768 -8.139 1.00 0.00 H new ATOM 619 N GLY A 44 2.646 -21.213 -2.684 1.00 0.00 N ATOM 620 CA GLY A 44 1.335 -20.678 -2.385 1.00 0.00 C ATOM 621 C GLY A 44 1.202 -19.182 -2.670 1.00 0.00 C ATOM 622 O GLY A 44 0.081 -18.674 -2.643 1.00 0.00 O ATOM 0 H GLY A 44 3.189 -21.457 -1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.590 -21.218 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.109 -20.860 -1.334 1.00 0.00 H new ATOM 626 N CYS A 45 2.296 -18.459 -2.922 1.00 0.00 N ATOM 627 CA CYS A 45 2.260 -17.026 -3.186 1.00 0.00 C ATOM 628 C CYS A 45 3.458 -16.603 -4.063 1.00 0.00 C ATOM 629 O CYS A 45 4.362 -15.905 -3.589 1.00 0.00 O ATOM 630 CB CYS A 45 2.186 -16.267 -1.851 1.00 0.00 C ATOM 631 SG CYS A 45 3.073 -17.049 -0.485 1.00 0.00 S ATOM 0 H CYS A 45 3.235 -18.857 -2.948 1.00 0.00 H new ATOM 0 HA CYS A 45 1.367 -16.770 -3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.585 -15.263 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.139 -16.156 -1.570 1.00 0.00 H new ATOM 0 HG CYS A 45 3.292 -18.299 -0.768 1.00 0.00 H new ATOM 637 N PRO A 46 3.519 -17.037 -5.335 1.00 0.00 N ATOM 638 CA PRO A 46 4.636 -16.735 -6.220 1.00 0.00 C ATOM 639 C PRO A 46 4.568 -15.270 -6.662 1.00 0.00 C ATOM 640 O PRO A 46 3.517 -14.800 -7.116 1.00 0.00 O ATOM 641 CB PRO A 46 4.483 -17.701 -7.396 1.00 0.00 C ATOM 642 CG PRO A 46 2.972 -17.910 -7.485 1.00 0.00 C ATOM 643 CD PRO A 46 2.504 -17.809 -6.036 1.00 0.00 C ATOM 0 HA PRO A 46 5.607 -16.860 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.886 -17.280 -8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.009 -18.639 -7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.500 -17.153 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.727 -18.880 -7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.532 -17.321 -5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.392 -18.799 -5.593 1.00 0.00 H new ATOM 651 N GLY A 47 5.679 -14.548 -6.535 1.00 0.00 N ATOM 652 CA GLY A 47 5.783 -13.137 -6.880 1.00 0.00 C ATOM 653 C GLY A 47 5.281 -12.207 -5.773 1.00 0.00 C ATOM 654 O GLY A 47 5.427 -10.991 -5.911 1.00 0.00 O ATOM 0 H GLY A 47 6.552 -14.940 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.824 -12.899 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.213 -12.949 -7.790 1.00 0.00 H new ATOM 658 N LEU A 48 4.704 -12.751 -4.695 1.00 0.00 N ATOM 659 CA LEU A 48 4.267 -11.995 -3.531 1.00 0.00 C ATOM 660 C LEU A 48 5.483 -11.653 -2.672 1.00 0.00 C ATOM 661 O LEU A 48 6.383 -12.489 -2.518 1.00 0.00 O ATOM 662 CB LEU A 48 3.268 -12.852 -2.736 1.00 0.00 C ATOM 663 CG LEU A 48 2.424 -12.065 -1.723 1.00 0.00 C ATOM 664 CD1 LEU A 48 1.403 -11.181 -2.448 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.657 -13.028 -0.806 1.00 0.00 C ATOM 0 H LEU A 48 4.527 -13.752 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 48 3.781 -11.068 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.600 -13.353 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.817 -13.631 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 48 3.101 -11.446 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.813 -10.630 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.926 -10.477 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.743 -11.806 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.063 -12.456 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.998 -13.655 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.364 -13.658 -0.266 1.00 0.00 H new ATOM 677 N CYS A 49 5.499 -10.463 -2.079 1.00 0.00 N ATOM 678 CA CYS A 49 6.575 -9.971 -1.235 1.00 0.00 C ATOM 679 C CYS A 49 5.990 -9.390 0.054 1.00 0.00 C ATOM 680 O CYS A 49 4.805 -9.052 0.134 1.00 0.00 O ATOM 681 CB CYS A 49 7.368 -8.914 -2.015 1.00 0.00 C ATOM 682 SG CYS A 49 8.133 -9.660 -3.486 1.00 0.00 S ATOM 0 H CYS A 49 4.735 -9.794 -2.178 1.00 0.00 H new ATOM 0 HA CYS A 49 7.249 -10.783 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.707 -8.100 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.138 -8.482 -1.376 1.00 0.00 H new ATOM 0 HG CYS A 49 8.799 -8.752 -4.136 1.00 0.00 H new ATOM 688 N GLU A 50 6.823 -9.293 1.089 1.00 0.00 N ATOM 689 CA GLU A 50 6.349 -8.867 2.398 1.00 0.00 C ATOM 690 C GLU A 50 5.883 -7.414 2.298 1.00 0.00 C ATOM 691 O GLU A 50 6.489 -6.594 1.593 1.00 0.00 O ATOM 692 CB GLU A 50 7.429 -9.027 3.478 1.00 0.00 C ATOM 693 CG GLU A 50 7.763 -10.467 3.908 1.00 0.00 C ATOM 694 CD GLU A 50 8.938 -10.438 4.886 1.00 0.00 C ATOM 695 OE1 GLU A 50 10.014 -9.929 4.491 1.00 0.00 O ATOM 696 OE2 GLU A 50 8.736 -10.850 6.049 1.00 0.00 O ATOM 0 H GLU A 50 7.820 -9.502 1.045 1.00 0.00 H new ATOM 0 HA GLU A 50 5.516 -9.503 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.344 -8.558 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.113 -8.472 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.895 -10.930 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.014 -11.071 3.036 1.00 0.00 H new ATOM 703 N GLY A 51 4.827 -7.085 3.040 1.00 0.00 N ATOM 704 CA GLY A 51 4.241 -5.758 3.085 1.00 0.00 C ATOM 705 C GLY A 51 3.310 -5.439 1.919 1.00 0.00 C ATOM 706 O GLY A 51 2.762 -4.336 1.912 1.00 0.00 O ATOM 0 H GLY A 51 4.347 -7.756 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.686 -5.651 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.043 -5.020 3.105 1.00 0.00 H new ATOM 710 N ASP A 52 3.118 -6.354 0.961 1.00 0.00 N ATOM 711 CA ASP A 52 2.320 -6.117 -0.245 1.00 0.00 C ATOM 712 C ASP A 52 0.862 -5.859 0.135 1.00 0.00 C ATOM 713 O ASP A 52 0.155 -6.765 0.581 1.00 0.00 O ATOM 714 CB ASP A 52 2.463 -7.264 -1.263 1.00 0.00 C ATOM 715 CG ASP A 52 3.792 -7.264 -2.040 1.00 0.00 C ATOM 716 OD1 ASP A 52 4.641 -6.353 -1.840 1.00 0.00 O ATOM 717 OD2 ASP A 52 3.976 -8.191 -2.860 1.00 0.00 O ATOM 0 H ASP A 52 3.518 -7.291 1.004 1.00 0.00 H new ATOM 0 HA ASP A 52 2.703 -5.225 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.363 -8.214 -0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.640 -7.206 -1.975 1.00 0.00 H new ATOM 722 N LEU A 53 0.442 -4.597 0.032 1.00 0.00 N ATOM 723 CA LEU A 53 -0.878 -4.107 0.407 1.00 0.00 C ATOM 724 C LEU A 53 -1.914 -4.622 -0.584 1.00 0.00 C ATOM 725 O LEU A 53 -1.749 -4.367 -1.774 1.00 0.00 O ATOM 726 CB LEU A 53 -0.880 -2.573 0.372 1.00 0.00 C ATOM 727 CG LEU A 53 -2.217 -1.986 0.877 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.141 -1.648 2.364 1.00 0.00 C ATOM 729 CD2 LEU A 53 -2.606 -0.743 0.083 1.00 0.00 C ATOM 0 H LEU A 53 1.043 -3.858 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.120 -4.458 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.063 -2.195 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.696 -2.233 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.983 -2.748 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.095 -1.237 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.920 -2.552 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.353 -0.914 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.551 -0.351 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.830 0.015 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.716 -1.003 -0.970 1.00 0.00 H new ATOM 741 N ILE A 54 -2.980 -5.278 -0.131 1.00 0.00 N ATOM 742 CA ILE A 54 -4.074 -5.706 -1.006 1.00 0.00 C ATOM 743 C ILE A 54 -4.990 -4.514 -1.286 1.00 0.00 C ATOM 744 O ILE A 54 -5.250 -3.688 -0.410 1.00 0.00 O ATOM 745 CB ILE A 54 -4.846 -6.913 -0.417 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.903 -8.111 -0.191 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.981 -7.395 -1.345 1.00 0.00 C ATOM 748 CD1 ILE A 54 -4.486 -9.165 0.757 1.00 0.00 C ATOM 0 H ILE A 54 -3.112 -5.528 0.849 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.657 -6.054 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.269 -6.563 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.681 -8.577 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.958 -7.750 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.491 -8.242 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.693 -6.584 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.562 -7.699 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.774 -9.982 0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.682 -8.712 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.417 -9.552 0.343 1.00 0.00 H new ATOM 760 N VAL A 55 -5.519 -4.476 -2.507 1.00 0.00 N ATOM 761 CA VAL A 55 -6.489 -3.507 -2.996 1.00 0.00 C ATOM 762 C VAL A 55 -7.716 -4.252 -3.502 1.00 0.00 C ATOM 763 O VAL A 55 -8.837 -3.858 -3.174 1.00 0.00 O ATOM 764 CB VAL A 55 -5.806 -2.655 -4.085 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.778 -1.779 -4.884 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.710 -1.815 -3.412 1.00 0.00 C ATOM 0 H VAL A 55 -5.266 -5.161 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.828 -2.833 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.374 -3.328 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.225 -1.209 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.513 -2.412 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.288 -1.092 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.210 -1.202 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.158 -1.170 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.983 -2.476 -2.940 1.00 0.00 H new ATOM 776 N GLU A 56 -7.522 -5.346 -4.237 1.00 0.00 N ATOM 777 CA GLU A 56 -8.603 -6.138 -4.801 1.00 0.00 C ATOM 778 C GLU A 56 -8.326 -7.622 -4.601 1.00 0.00 C ATOM 779 O GLU A 56 -7.177 -8.052 -4.484 1.00 0.00 O ATOM 780 CB GLU A 56 -8.807 -5.774 -6.287 1.00 0.00 C ATOM 781 CG GLU A 56 -9.645 -4.507 -6.453 1.00 0.00 C ATOM 782 CD GLU A 56 -9.796 -4.079 -7.914 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.637 -4.692 -8.619 1.00 0.00 O ATOM 784 OE2 GLU A 56 -9.098 -3.143 -8.363 1.00 0.00 O ATOM 0 H GLU A 56 -6.595 -5.708 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.533 -5.911 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.837 -5.632 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.296 -6.602 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.633 -4.673 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.184 -3.696 -5.888 1.00 0.00 H new ATOM 791 N ILE A 57 -9.407 -8.394 -4.555 1.00 0.00 N ATOM 792 CA ILE A 57 -9.451 -9.850 -4.625 1.00 0.00 C ATOM 793 C ILE A 57 -10.114 -10.145 -5.983 1.00 0.00 C ATOM 794 O ILE A 57 -10.065 -9.298 -6.878 1.00 0.00 O ATOM 795 CB ILE A 57 -10.153 -10.426 -3.357 1.00 0.00 C ATOM 796 CG1 ILE A 57 -9.622 -9.682 -2.109 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.953 -11.957 -3.197 1.00 0.00 C ATOM 798 CD1 ILE A 57 -10.064 -10.241 -0.758 1.00 0.00 C ATOM 0 H ILE A 57 -10.339 -7.991 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.482 -10.348 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.226 -10.268 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.533 -9.688 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.938 -8.640 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.464 -12.299 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.365 -12.471 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.889 -12.178 -3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.632 -9.641 0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.151 -10.209 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.725 -11.272 -0.662 1.00 0.00 H new ATOM 810 N ASN A 58 -10.716 -11.322 -6.160 1.00 0.00 N ATOM 811 CA ASN A 58 -11.583 -11.711 -7.261 1.00 0.00 C ATOM 812 C ASN A 58 -12.732 -10.696 -7.443 1.00 0.00 C ATOM 813 O ASN A 58 -13.858 -10.977 -7.032 1.00 0.00 O ATOM 814 CB ASN A 58 -12.188 -13.106 -7.002 1.00 0.00 C ATOM 815 CG ASN A 58 -11.224 -14.275 -7.121 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.347 -14.322 -7.981 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.350 -15.238 -6.229 1.00 0.00 N ATOM 0 H ASN A 58 -10.599 -12.079 -5.487 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.977 -11.734 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.619 -13.115 -6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.008 -13.262 -7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.715 -16.036 -6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.083 -15.185 -5.521 1.00 0.00 H new ATOM 824 N GLN A 59 -12.478 -9.521 -8.031 1.00 0.00 N ATOM 825 CA GLN A 59 -13.482 -8.519 -8.377 1.00 0.00 C ATOM 826 C GLN A 59 -14.320 -8.096 -7.155 1.00 0.00 C ATOM 827 O GLN A 59 -15.541 -7.890 -7.235 1.00 0.00 O ATOM 828 CB GLN A 59 -14.304 -9.001 -9.584 1.00 0.00 C ATOM 829 CG GLN A 59 -13.434 -9.419 -10.787 1.00 0.00 C ATOM 830 CD GLN A 59 -14.258 -9.843 -11.997 1.00 0.00 C ATOM 831 OE1 GLN A 59 -15.485 -9.918 -11.961 1.00 0.00 O ATOM 832 NE2 GLN A 59 -13.623 -10.168 -13.103 1.00 0.00 N ATOM 0 H GLN A 59 -11.533 -9.236 -8.286 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.986 -7.599 -8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.922 -9.846 -9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.982 -8.206 -9.894 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.788 -8.587 -11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.784 -10.242 -10.490 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.605 -10.109 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -14.148 -10.479 -13.920 1.00 0.00 H new ATOM 841 N GLN A 60 -13.657 -7.973 -6.002 1.00 0.00 N ATOM 842 CA GLN A 60 -14.119 -7.269 -4.836 1.00 0.00 C ATOM 843 C GLN A 60 -13.004 -6.312 -4.414 1.00 0.00 C ATOM 844 O GLN A 60 -11.859 -6.740 -4.236 1.00 0.00 O ATOM 845 CB GLN A 60 -14.485 -8.302 -3.769 1.00 0.00 C ATOM 846 CG GLN A 60 -15.124 -7.616 -2.558 1.00 0.00 C ATOM 847 CD GLN A 60 -16.146 -8.485 -1.831 1.00 0.00 C ATOM 848 OE1 GLN A 60 -17.123 -7.972 -1.295 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.967 -9.795 -1.805 1.00 0.00 N ATOM 0 H GLN A 60 -12.736 -8.389 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.015 -6.674 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.175 -9.035 -4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.592 -8.845 -3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.339 -7.330 -1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.609 -6.697 -2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.150 -10.207 -2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.646 -10.393 -1.335 1.00 0.00 H new ATOM 858 N ASN A 61 -13.344 -5.028 -4.283 1.00 0.00 N ATOM 859 CA ASN A 61 -12.446 -3.954 -3.884 1.00 0.00 C ATOM 860 C ASN A 61 -12.404 -3.912 -2.367 1.00 0.00 C ATOM 861 O ASN A 61 -13.424 -3.650 -1.733 1.00 0.00 O ATOM 862 CB ASN A 61 -12.949 -2.629 -4.473 1.00 0.00 C ATOM 863 CG ASN A 61 -12.052 -1.426 -4.187 1.00 0.00 C ATOM 864 OD1 ASN A 61 -12.550 -0.326 -3.966 1.00 0.00 O ATOM 865 ND2 ASN A 61 -10.734 -1.551 -4.219 1.00 0.00 N ATOM 0 H ASN A 61 -14.293 -4.700 -4.461 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.437 -4.123 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.051 -2.742 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.945 -2.426 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.140 -0.737 -4.061 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.312 -2.462 -4.402 1.00 0.00 H new ATOM 872 N VAL A 62 -11.251 -4.201 -1.771 1.00 0.00 N ATOM 873 CA VAL A 62 -11.135 -4.535 -0.355 1.00 0.00 C ATOM 874 C VAL A 62 -10.285 -3.541 0.439 1.00 0.00 C ATOM 875 O VAL A 62 -10.063 -3.743 1.627 1.00 0.00 O ATOM 876 CB VAL A 62 -10.670 -5.992 -0.198 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.720 -6.971 -0.744 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.314 -6.255 -0.865 1.00 0.00 C ATOM 0 H VAL A 62 -10.359 -4.210 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.126 -4.447 0.090 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.548 -6.158 0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.364 -7.994 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.655 -6.844 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.888 -6.772 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.035 -7.299 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.385 -6.040 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.557 -5.613 -0.415 1.00 0.00 H new ATOM 888 N GLN A 63 -9.858 -2.432 -0.169 1.00 0.00 N ATOM 889 CA GLN A 63 -9.066 -1.381 0.478 1.00 0.00 C ATOM 890 C GLN A 63 -9.675 -0.818 1.775 1.00 0.00 C ATOM 891 O GLN A 63 -8.960 -0.192 2.559 1.00 0.00 O ATOM 892 CB GLN A 63 -8.893 -0.231 -0.518 1.00 0.00 C ATOM 893 CG GLN A 63 -7.759 -0.446 -1.504 1.00 0.00 C ATOM 894 CD GLN A 63 -7.515 0.828 -2.301 1.00 0.00 C ATOM 895 OE1 GLN A 63 -8.442 1.400 -2.871 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.295 1.316 -2.334 1.00 0.00 N ATOM 0 H GLN A 63 -10.058 -2.234 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.120 -1.841 0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.823 -0.097 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.714 0.692 0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.852 -0.731 -0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.003 -1.266 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.538 0.828 -1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.106 2.182 -2.838 1.00 0.00 H new ATOM 905 N ASN A 64 -10.980 -0.988 2.003 1.00 0.00 N ATOM 906 CA ASN A 64 -11.688 -0.544 3.203 1.00 0.00 C ATOM 907 C ASN A 64 -12.232 -1.718 4.018 1.00 0.00 C ATOM 908 O ASN A 64 -12.674 -1.524 5.151 1.00 0.00 O ATOM 909 CB ASN A 64 -12.808 0.406 2.768 1.00 0.00 C ATOM 910 CG ASN A 64 -13.735 0.830 3.904 1.00 0.00 C ATOM 911 OD1 ASN A 64 -14.944 0.621 3.826 1.00 0.00 O ATOM 912 ND2 ASN A 64 -13.215 1.433 4.956 1.00 0.00 N ATOM 0 H ASN A 64 -11.592 -1.455 1.334 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.993 -0.024 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.364 1.296 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.400 -0.077 1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.818 1.734 5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.210 1.598 5.004 1.00 0.00 H new ATOM 919 N LEU A 65 -12.196 -2.937 3.475 1.00 0.00 N ATOM 920 CA LEU A 65 -12.612 -4.095 4.242 1.00 0.00 C ATOM 921 C LEU A 65 -11.606 -4.325 5.359 1.00 0.00 C ATOM 922 O LEU A 65 -10.410 -4.045 5.230 1.00 0.00 O ATOM 923 CB LEU A 65 -12.764 -5.347 3.372 1.00 0.00 C ATOM 924 CG LEU A 65 -13.959 -5.335 2.401 1.00 0.00 C ATOM 925 CD1 LEU A 65 -14.166 -6.767 1.912 1.00 0.00 C ATOM 926 CD2 LEU A 65 -15.276 -4.826 3.001 1.00 0.00 C ATOM 0 H LEU A 65 -11.888 -3.138 2.524 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.598 -3.898 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.849 -5.481 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.858 -6.214 4.026 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.711 -4.636 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.007 -6.797 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.265 -7.112 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.373 -7.416 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.057 -4.855 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.562 -5.460 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.146 -3.801 3.348 1.00 0.00 H new ATOM 938 N SER A 66 -12.109 -4.822 6.476 1.00 0.00 N ATOM 939 CA SER A 66 -11.296 -5.132 7.632 1.00 0.00 C ATOM 940 C SER A 66 -10.493 -6.411 7.392 1.00 0.00 C ATOM 941 O SER A 66 -10.821 -7.184 6.489 1.00 0.00 O ATOM 942 CB SER A 66 -12.223 -5.227 8.838 1.00 0.00 C ATOM 943 OG SER A 66 -13.195 -4.189 8.851 1.00 0.00 O ATOM 0 H SER A 66 -13.101 -5.022 6.604 1.00 0.00 H new ATOM 0 HA SER A 66 -10.560 -4.351 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.726 -6.194 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.632 -5.181 9.753 1.00 0.00 H new ATOM 0 HG SER A 66 -13.769 -4.288 9.639 1.00 0.00 H new ATOM 949 N HIS A 67 -9.473 -6.660 8.219 1.00 0.00 N ATOM 950 CA HIS A 67 -8.689 -7.890 8.188 1.00 0.00 C ATOM 951 C HIS A 67 -9.621 -9.084 8.148 1.00 0.00 C ATOM 952 O HIS A 67 -9.581 -9.865 7.205 1.00 0.00 O ATOM 953 CB HIS A 67 -7.719 -7.934 9.381 1.00 0.00 C ATOM 954 CG HIS A 67 -6.929 -9.206 9.509 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.627 -9.358 9.099 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.326 -10.366 10.123 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.230 -10.582 9.483 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.233 -11.244 10.088 1.00 0.00 N ATOM 0 H HIS A 67 -9.168 -6.002 8.936 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.078 -7.921 7.286 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.024 -7.099 9.296 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.288 -7.783 10.299 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.066 -8.670 8.597 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.297 -10.566 10.552 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.239 -10.981 9.327 1.00 0.00 H new ATOM 966 N THR A 68 -10.510 -9.176 9.126 1.00 0.00 N ATOM 967 CA THR A 68 -11.371 -10.322 9.301 1.00 0.00 C ATOM 968 C THR A 68 -12.285 -10.546 8.084 1.00 0.00 C ATOM 969 O THR A 68 -12.586 -11.699 7.793 1.00 0.00 O ATOM 970 CB THR A 68 -12.119 -10.128 10.629 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.177 -9.853 11.654 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.878 -11.388 11.026 1.00 0.00 C ATOM 0 H THR A 68 -10.650 -8.446 9.824 1.00 0.00 H new ATOM 0 HA THR A 68 -10.793 -11.245 9.358 1.00 0.00 H new ATOM 0 HB THR A 68 -12.824 -9.307 10.501 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.647 -9.726 12.505 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.397 -11.218 11.970 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.605 -11.634 10.252 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.176 -12.214 11.141 1.00 0.00 H new ATOM 980 N GLU A 69 -12.657 -9.501 7.333 1.00 0.00 N ATOM 981 CA GLU A 69 -13.494 -9.580 6.138 1.00 0.00 C ATOM 982 C GLU A 69 -12.688 -10.096 4.946 1.00 0.00 C ATOM 983 O GLU A 69 -13.144 -10.972 4.214 1.00 0.00 O ATOM 984 CB GLU A 69 -14.033 -8.182 5.807 1.00 0.00 C ATOM 985 CG GLU A 69 -14.965 -7.607 6.875 1.00 0.00 C ATOM 986 CD GLU A 69 -16.292 -8.366 7.003 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.722 -9.061 6.058 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.938 -8.256 8.073 1.00 0.00 O ATOM 0 H GLU A 69 -12.371 -8.547 7.552 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.316 -10.269 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.192 -7.503 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.567 -8.225 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.454 -7.621 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.174 -6.563 6.640 1.00 0.00 H new ATOM 995 N VAL A 70 -11.481 -9.563 4.739 1.00 0.00 N ATOM 996 CA VAL A 70 -10.575 -10.001 3.679 1.00 0.00 C ATOM 997 C VAL A 70 -10.264 -11.487 3.874 1.00 0.00 C ATOM 998 O VAL A 70 -10.247 -12.265 2.918 1.00 0.00 O ATOM 999 CB VAL A 70 -9.324 -9.094 3.706 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.181 -9.582 2.801 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.738 -7.681 3.270 1.00 0.00 C ATOM 0 H VAL A 70 -11.103 -8.807 5.310 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.022 -9.905 2.689 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.939 -9.112 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.339 -8.893 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.865 -10.576 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.527 -9.623 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.867 -7.026 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.149 -7.717 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.492 -7.295 3.956 1.00 0.00 H new ATOM 1011 N VAL A 71 -10.046 -11.890 5.124 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.849 -13.273 5.510 1.00 0.00 C ATOM 1013 C VAL A 71 -11.129 -14.064 5.223 1.00 0.00 C ATOM 1014 O VAL A 71 -11.034 -15.158 4.685 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.431 -13.312 6.998 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.251 -14.725 7.560 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.085 -12.627 7.183 1.00 0.00 C ATOM 0 H VAL A 71 -10.002 -11.243 5.911 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.052 -13.742 4.932 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.245 -12.814 7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.958 -14.665 8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.190 -15.272 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.477 -15.245 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.801 -12.661 8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.331 -13.140 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.158 -11.589 6.860 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.308 -13.522 5.537 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.623 -14.187 5.355 1.00 0.00 C ATOM 1029 C ASP A 72 -13.857 -14.532 3.879 1.00 0.00 C ATOM 1030 O ASP A 72 -14.329 -15.620 3.546 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.795 -13.308 5.869 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.840 -14.043 6.722 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.427 -14.756 7.665 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -17.065 -13.817 6.545 1.00 0.00 O ATOM 0 H ASP A 72 -12.389 -12.586 5.935 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.598 -15.103 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.382 -12.488 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.298 -12.864 5.010 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.485 -13.625 2.972 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.555 -13.836 1.529 1.00 0.00 C ATOM 1041 C ILE A 73 -12.570 -14.943 1.145 1.00 0.00 C ATOM 1042 O ILE A 73 -12.950 -15.903 0.475 1.00 0.00 O ATOM 1043 CB ILE A 73 -13.289 -12.500 0.799 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.414 -11.492 1.123 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -13.200 -12.691 -0.729 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.955 -10.040 0.999 1.00 0.00 C ATOM 0 H ILE A 73 -13.120 -12.707 3.228 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.548 -14.165 1.224 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.330 -12.118 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -15.254 -11.662 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.776 -11.670 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.012 -11.729 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.386 -13.377 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -14.139 -13.102 -1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.785 -9.375 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.133 -9.858 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.619 -9.850 -0.021 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.307 -14.837 1.569 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.288 -15.846 1.263 1.00 0.00 C ATOM 1060 C LEU A 74 -10.637 -17.210 1.875 1.00 0.00 C ATOM 1061 O LEU A 74 -10.232 -18.243 1.343 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.896 -15.360 1.704 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.368 -14.220 0.810 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -7.288 -13.414 1.524 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.766 -14.734 -0.506 1.00 0.00 C ATOM 0 H LEU A 74 -10.964 -14.057 2.129 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.267 -15.986 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.943 -15.017 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.196 -16.195 1.677 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.235 -13.596 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.935 -12.618 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.701 -12.979 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.455 -14.069 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.410 -13.890 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.933 -15.402 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.528 -15.275 -1.068 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.404 -17.253 2.966 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.932 -18.482 3.547 1.00 0.00 C ATOM 1079 C LYS A 75 -12.980 -19.092 2.629 1.00 0.00 C ATOM 1080 O LYS A 75 -12.943 -20.303 2.450 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.528 -18.209 4.933 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.438 -18.099 6.008 1.00 0.00 C ATOM 1083 CD LYS A 75 -11.874 -17.247 7.198 1.00 0.00 C ATOM 1084 CE LYS A 75 -13.145 -17.753 7.870 1.00 0.00 C ATOM 1085 NZ LYS A 75 -13.792 -16.696 8.669 1.00 0.00 N ATOM 0 H LYS A 75 -11.679 -16.415 3.479 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.112 -19.192 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.106 -17.285 4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.219 -19.010 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.175 -19.097 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.539 -17.668 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.069 -17.222 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.032 -16.222 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.840 -18.114 7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.906 -18.601 8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.482 -17.125 9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.071 -16.185 9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.280 -16.031 8.035 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.851 -18.298 2.008 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.860 -18.811 1.079 1.00 0.00 C ATOM 1101 C ASP A 76 -14.262 -19.375 -0.206 1.00 0.00 C ATOM 1102 O ASP A 76 -14.788 -20.336 -0.766 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.851 -17.710 0.706 1.00 0.00 C ATOM 1104 CG ASP A 76 -17.025 -18.301 -0.073 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.907 -18.894 0.592 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.106 -18.142 -1.310 1.00 0.00 O ATOM 0 H ASP A 76 -13.878 -17.286 2.133 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.361 -19.624 1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.214 -17.217 1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.352 -16.949 0.105 1.00 0.00 H new ATOM 1111 N CYS A 77 -13.161 -18.768 -0.660 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.489 -19.092 -1.914 1.00 0.00 C ATOM 1113 C CYS A 77 -12.243 -20.609 -2.050 1.00 0.00 C ATOM 1114 O CYS A 77 -11.793 -21.246 -1.102 1.00 0.00 O ATOM 1115 CB CYS A 77 -11.181 -18.317 -1.974 1.00 0.00 C ATOM 1116 SG CYS A 77 -11.469 -16.537 -2.205 1.00 0.00 S ATOM 0 H CYS A 77 -12.702 -18.016 -0.147 1.00 0.00 H new ATOM 0 HA CYS A 77 -13.127 -18.804 -2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.619 -18.479 -1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.569 -18.697 -2.793 1.00 0.00 H new ATOM 0 HG CYS A 77 -12.114 -16.065 -1.180 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.526 -21.222 -3.202 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.446 -22.661 -3.405 1.00 0.00 C ATOM 1124 C PRO A 78 -11.001 -23.166 -3.332 1.00 0.00 C ATOM 1125 O PRO A 78 -10.130 -22.721 -4.077 1.00 0.00 O ATOM 1126 CB PRO A 78 -13.123 -22.928 -4.751 1.00 0.00 C ATOM 1127 CG PRO A 78 -13.396 -21.565 -5.387 1.00 0.00 C ATOM 1128 CD PRO A 78 -13.051 -20.528 -4.347 1.00 0.00 C ATOM 0 HA PRO A 78 -12.954 -23.214 -2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.482 -23.532 -5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.051 -23.483 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.793 -21.429 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.440 -21.480 -5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.317 -19.823 -4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.934 -19.951 -4.074 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.738 -24.090 -2.408 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.464 -24.790 -2.255 1.00 0.00 C ATOM 1138 C ILE A 79 -9.163 -25.506 -3.576 1.00 0.00 C ATOM 1139 O ILE A 79 -9.995 -26.290 -4.047 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.515 -25.716 -1.013 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.346 -24.880 0.276 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.447 -26.820 -1.079 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.591 -25.641 1.584 1.00 0.00 C ATOM 0 H ILE A 79 -11.433 -24.382 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.637 -24.106 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.489 -26.205 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.335 -24.472 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.031 -24.033 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.516 -27.447 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.609 -27.431 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.457 -26.366 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.448 -24.968 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.611 -26.026 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.889 -26.471 1.659 1.00 0.00 H new ATOM 1155 N GLY A 80 -8.001 -25.233 -4.171 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.626 -25.784 -5.466 1.00 0.00 C ATOM 1157 C GLY A 80 -8.180 -24.981 -6.647 1.00 0.00 C ATOM 1158 O GLY A 80 -8.188 -25.489 -7.769 1.00 0.00 O ATOM 0 H GLY A 80 -7.294 -24.621 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.539 -25.820 -5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.984 -26.811 -5.534 1.00 0.00 H new ATOM 1162 N SER A 81 -8.656 -23.753 -6.420 1.00 0.00 N ATOM 1163 CA SER A 81 -8.975 -22.822 -7.493 1.00 0.00 C ATOM 1164 C SER A 81 -8.034 -21.623 -7.379 1.00 0.00 C ATOM 1165 O SER A 81 -7.612 -21.232 -6.280 1.00 0.00 O ATOM 1166 CB SER A 81 -10.451 -22.410 -7.428 1.00 0.00 C ATOM 1167 OG SER A 81 -11.348 -23.457 -7.789 1.00 0.00 O ATOM 0 H SER A 81 -8.829 -23.382 -5.486 1.00 0.00 H new ATOM 0 HA SER A 81 -8.830 -23.293 -8.465 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.683 -22.076 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.612 -21.559 -8.090 1.00 0.00 H new ATOM 0 HG SER A 81 -12.271 -23.133 -7.726 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.703 -21.046 -8.529 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.966 -19.809 -8.651 1.00 0.00 C ATOM 1175 C GLU A 82 -7.816 -18.678 -8.067 1.00 0.00 C ATOM 1176 O GLU A 82 -9.036 -18.611 -8.240 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.592 -19.538 -10.123 1.00 0.00 C ATOM 1178 CG GLU A 82 -5.117 -19.821 -10.475 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.717 -21.284 -10.688 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.569 -22.197 -10.617 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.508 -21.510 -10.938 1.00 0.00 O ATOM 0 H GLU A 82 -7.954 -21.448 -9.432 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.030 -19.876 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.228 -20.149 -10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.813 -18.496 -10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.874 -19.269 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.495 -19.413 -9.678 1.00 0.00 H new ATOM 1188 N THR A 83 -7.138 -17.768 -7.379 1.00 0.00 N ATOM 1189 CA THR A 83 -7.698 -16.605 -6.718 1.00 0.00 C ATOM 1190 C THR A 83 -6.883 -15.411 -7.186 1.00 0.00 C ATOM 1191 O THR A 83 -5.656 -15.432 -7.089 1.00 0.00 O ATOM 1192 CB THR A 83 -7.601 -16.763 -5.197 1.00 0.00 C ATOM 1193 OG1 THR A 83 -7.937 -18.085 -4.814 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.530 -15.752 -4.510 1.00 0.00 C ATOM 0 H THR A 83 -6.126 -17.829 -7.263 1.00 0.00 H new ATOM 0 HA THR A 83 -8.752 -16.477 -6.963 1.00 0.00 H new ATOM 0 HB THR A 83 -6.575 -16.569 -4.886 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.025 -18.131 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.458 -15.868 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.235 -14.740 -4.787 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.558 -15.929 -4.826 1.00 0.00 H new ATOM 1202 N SER A 84 -7.552 -14.405 -7.729 1.00 0.00 N ATOM 1203 CA SER A 84 -6.997 -13.212 -8.319 1.00 0.00 C ATOM 1204 C SER A 84 -6.891 -12.234 -7.166 1.00 0.00 C ATOM 1205 O SER A 84 -7.878 -12.069 -6.443 1.00 0.00 O ATOM 1206 CB SER A 84 -8.003 -12.689 -9.357 1.00 0.00 C ATOM 1207 OG SER A 84 -8.542 -13.765 -10.121 1.00 0.00 O ATOM 0 H SER A 84 -8.571 -14.409 -7.768 1.00 0.00 H new ATOM 0 HA SER A 84 -6.036 -13.369 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.808 -12.154 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.512 -11.976 -10.019 1.00 0.00 H new ATOM 0 HG SER A 84 -9.265 -14.194 -9.617 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.730 -11.622 -6.953 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.630 -10.506 -6.031 1.00 0.00 C ATOM 1215 C LEU A 85 -4.829 -9.403 -6.717 1.00 0.00 C ATOM 1216 O LEU A 85 -4.018 -9.672 -7.604 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.949 -10.893 -4.703 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.804 -11.665 -3.677 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.878 -13.166 -3.981 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -5.183 -11.520 -2.283 1.00 0.00 C ATOM 0 H LEU A 85 -4.853 -11.881 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.637 -10.172 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.072 -11.497 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.591 -9.980 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.807 -11.242 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.492 -13.660 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.321 -13.316 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.874 -13.590 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.787 -12.065 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.171 -11.926 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.149 -10.466 -2.008 1.00 0.00 H new ATOM 1232 N ILE A 86 -4.985 -8.165 -6.262 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.263 -7.004 -6.766 1.00 0.00 C ATOM 1234 C ILE A 86 -3.591 -6.357 -5.560 1.00 0.00 C ATOM 1235 O ILE A 86 -4.239 -6.156 -4.524 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.187 -6.049 -7.540 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.067 -6.854 -8.527 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.349 -4.999 -8.278 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.742 -6.048 -9.632 1.00 0.00 C ATOM 0 H ILE A 86 -5.636 -7.935 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.507 -7.291 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.844 -5.532 -6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.448 -7.622 -8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.840 -7.369 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.009 -4.325 -8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.764 -4.428 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.677 -5.496 -8.978 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.331 -6.715 -10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.396 -5.297 -9.187 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.982 -5.554 -10.238 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.295 -6.067 -5.687 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.467 -5.505 -4.636 1.00 0.00 C ATOM 1253 C ILE A 87 -0.896 -4.159 -5.078 1.00 0.00 C ATOM 1254 O ILE A 87 -0.626 -3.947 -6.260 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.390 -6.508 -4.150 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.749 -6.825 -5.153 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.055 -7.826 -3.705 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.926 -5.840 -5.092 1.00 0.00 C ATOM 0 H ILE A 87 -1.783 -6.225 -6.555 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.089 -5.314 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 87 0.095 -5.998 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.120 -7.831 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.340 -6.825 -6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.289 -8.523 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.750 -7.626 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.596 -8.262 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.681 -6.129 -5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.571 -4.834 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.363 -5.856 -4.093 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.694 -3.246 -4.130 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.252 -1.888 -4.399 1.00 0.00 C ATOM 1272 C HIS A 88 1.270 -1.867 -4.551 1.00 0.00 C ATOM 1273 O HIS A 88 2.003 -1.629 -3.592 1.00 0.00 O ATOM 1274 CB HIS A 88 -0.790 -0.930 -3.320 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.064 0.457 -3.846 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -2.184 1.212 -3.583 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -0.291 1.166 -4.727 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -2.103 2.340 -4.303 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -0.956 2.364 -5.004 1.00 0.00 N ATOM 0 H HIS A 88 -0.837 -3.437 -3.138 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.662 -1.529 -5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.708 -1.342 -2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.069 -0.868 -2.505 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.660 0.856 -5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.852 3.118 -4.318 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.634 3.111 -5.619 1.00 0.00 H new ATOM 1287 N ARG A 89 1.771 -2.158 -5.749 1.00 0.00 N ATOM 1288 CA ARG A 89 3.166 -1.898 -6.105 1.00 0.00 C ATOM 1289 C ARG A 89 3.276 -0.449 -6.604 1.00 0.00 C ATOM 1290 O ARG A 89 2.273 0.149 -7.012 1.00 0.00 O ATOM 1291 CB ARG A 89 3.594 -2.935 -7.154 1.00 0.00 C ATOM 1292 CG ARG A 89 5.085 -2.980 -7.529 1.00 0.00 C ATOM 1293 CD ARG A 89 5.980 -3.713 -6.517 1.00 0.00 C ATOM 1294 NE ARG A 89 6.470 -2.862 -5.418 1.00 0.00 N ATOM 1295 CZ ARG A 89 6.631 -3.269 -4.150 1.00 0.00 C ATOM 1296 NH1 ARG A 89 6.498 -4.551 -3.816 1.00 0.00 N ATOM 1297 NH2 ARG A 89 6.920 -2.374 -3.214 1.00 0.00 N ATOM 0 H ARG A 89 1.224 -2.580 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 89 3.838 -1.999 -5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.307 -3.922 -6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.022 -2.752 -8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.187 -3.464 -8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.448 -1.959 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.422 -4.549 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.836 -4.135 -7.044 1.00 0.00 H new ATOM 0 HE ARG A 89 6.704 -1.894 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.270 -5.243 -4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.624 -4.841 -2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.017 -1.390 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.045 -2.671 -2.246 1.00 0.00 H new ATOM 1311 N GLY A 90 4.485 0.110 -6.566 1.00 0.00 N ATOM 1312 CA GLY A 90 4.800 1.435 -7.082 1.00 0.00 C ATOM 1313 C GLY A 90 6.275 1.731 -6.853 1.00 0.00 C ATOM 1314 O GLY A 90 7.039 1.922 -7.796 1.00 0.00 O ATOM 0 H GLY A 90 5.294 -0.363 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.569 1.487 -8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.186 2.186 -6.585 1.00 0.00 H new ATOM 1318 N SER A 91 6.720 1.728 -5.600 1.00 0.00 N ATOM 1319 CA SER A 91 8.123 1.638 -5.193 1.00 0.00 C ATOM 1320 C SER A 91 8.142 0.933 -3.825 1.00 0.00 C ATOM 1321 O SER A 91 7.087 0.454 -3.384 1.00 0.00 O ATOM 1322 CB SER A 91 8.747 3.044 -5.148 1.00 0.00 C ATOM 1323 OG SER A 91 8.666 3.690 -6.415 1.00 0.00 O ATOM 0 H SER A 91 6.086 1.791 -4.803 1.00 0.00 H new ATOM 0 HA SER A 91 8.722 1.066 -5.902 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.236 3.647 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.790 2.971 -4.841 1.00 0.00 H new ATOM 0 HG SER A 91 8.230 3.094 -7.059 1.00 0.00 H new ATOM 1329 N GLY A 92 9.293 0.848 -3.156 1.00 0.00 N ATOM 1330 CA GLY A 92 9.374 0.510 -1.739 1.00 0.00 C ATOM 1331 C GLY A 92 10.479 1.345 -1.086 1.00 0.00 C ATOM 1332 O GLY A 92 11.415 1.738 -1.784 1.00 0.00 O ATOM 0 H GLY A 92 10.202 1.014 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.419 0.704 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.584 -0.553 -1.618 1.00 0.00 H new ATOM 1336 N PRO A 93 10.408 1.629 0.227 1.00 0.00 N ATOM 1337 CA PRO A 93 11.423 2.418 0.913 1.00 0.00 C ATOM 1338 C PRO A 93 12.704 1.604 1.118 1.00 0.00 C ATOM 1339 O PRO A 93 13.807 2.116 0.914 1.00 0.00 O ATOM 1340 CB PRO A 93 10.783 2.834 2.242 1.00 0.00 C ATOM 1341 CG PRO A 93 9.758 1.737 2.519 1.00 0.00 C ATOM 1342 CD PRO A 93 9.301 1.330 1.120 1.00 0.00 C ATOM 0 HA PRO A 93 11.726 3.291 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.524 2.898 3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.309 3.813 2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.200 0.899 3.059 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.928 2.104 3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.049 0.270 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.406 1.880 0.828 1.00 0.00 H new ATOM 1350 N SER A 94 12.563 0.340 1.518 1.00 0.00 N ATOM 1351 CA SER A 94 13.641 -0.616 1.667 1.00 0.00 C ATOM 1352 C SER A 94 14.159 -1.024 0.287 1.00 0.00 C ATOM 1353 O SER A 94 13.369 -1.465 -0.554 1.00 0.00 O ATOM 1354 CB SER A 94 13.103 -1.824 2.458 1.00 0.00 C ATOM 1355 OG SER A 94 11.801 -2.222 2.048 1.00 0.00 O ATOM 0 H SER A 94 11.653 -0.054 1.755 1.00 0.00 H new ATOM 0 HA SER A 94 14.479 -0.182 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.788 -2.664 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.084 -1.577 3.519 1.00 0.00 H new ATOM 0 HG SER A 94 11.511 -2.992 2.581 1.00 0.00 H new ATOM 1361 N SER A 95 15.473 -0.950 0.069 1.00 0.00 N ATOM 1362 CA SER A 95 16.113 -1.522 -1.113 1.00 0.00 C ATOM 1363 C SER A 95 15.832 -3.019 -1.230 1.00 0.00 C ATOM 1364 O SER A 95 15.600 -3.523 -2.331 1.00 0.00 O ATOM 1365 CB SER A 95 17.625 -1.348 -1.003 1.00 0.00 C ATOM 1366 OG SER A 95 17.956 0.001 -0.756 1.00 0.00 O ATOM 0 H SER A 95 16.122 -0.491 0.708 1.00 0.00 H new ATOM 0 HA SER A 95 15.713 -1.007 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 95 18.010 -1.975 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 95 18.102 -1.682 -1.924 1.00 0.00 H new ATOM 0 HG SER A 95 18.929 0.092 -0.687 1.00 0.00 H new ATOM 1372 N GLY A 96 15.835 -3.729 -0.096 1.00 0.00 N ATOM 1373 CA GLY A 96 16.149 -5.146 -0.067 1.00 0.00 C ATOM 1374 C GLY A 96 17.646 -5.336 -0.260 1.00 0.00 C ATOM 1375 O GLY A 96 18.399 -4.341 -0.314 1.00 0.00 O ATOM 0 H GLY A 96 15.620 -3.332 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.836 -5.580 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.601 -5.667 -0.852 1.00 0.00 H new TER 1379 GLY A 96