USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 841 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0774 (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 45:sc= 0.992 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -109:sc= -1.57 (180deg=-4.06!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00794) USER MOD Single : A 30 THR OG1 : rot 45:sc= 0.128! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.49) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 70:sc= -2.35! USER MOD Single : A 44 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.7!) USER MOD Single : A 45 MET CE :methyl 165:sc= -7.79! (180deg=-8.84!) USER MOD Single : A 46 SER OG : rot 23:sc= 0.0182 USER MOD Single : A 48 GLN : amide:sc=-0.00714 X(o=-0.0071,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 170:sc= -1.3 USER MOD Single : A 53 THR OG1 : rot -72:sc= 0.557 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -1.85 F(o=-2.9,f=-1.9) USER MOD Single : A 66 CYS SG : rot -129:sc= 0.43 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0676 K(o=-0.068,f=-1.8) USER MOD Single : A 83 LYS NZ :NH3+ 145:sc= 0.00896 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0306) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.224 -9.643 -11.083 1.00 0.00 N ATOM 2 CA GLY A 1 -17.770 -10.921 -10.661 1.00 0.00 C ATOM 3 C GLY A 1 -19.113 -10.735 -9.950 1.00 0.00 C ATOM 4 O GLY A 1 -19.788 -9.726 -10.145 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.965 -9.691 -12.089 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.937 -8.898 -10.944 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.379 -9.423 -10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.900 -11.569 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.067 -11.419 -9.993 1.00 0.00 H new ATOM 8 N SER A 2 -19.459 -11.725 -9.141 1.00 0.00 N ATOM 9 CA SER A 2 -20.708 -11.684 -8.400 1.00 0.00 C ATOM 10 C SER A 2 -20.687 -10.524 -7.402 1.00 0.00 C ATOM 11 O SER A 2 -19.620 -10.103 -6.957 1.00 0.00 O ATOM 12 CB SER A 2 -20.961 -13.006 -7.672 1.00 0.00 C ATOM 13 OG SER A 2 -19.867 -13.373 -6.836 1.00 0.00 O ATOM 0 H SER A 2 -18.896 -12.561 -8.982 1.00 0.00 H new ATOM 0 HA SER A 2 -21.521 -11.530 -9.109 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.865 -12.921 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.139 -13.794 -8.403 1.00 0.00 H new ATOM 0 HG SER A 2 -20.068 -14.221 -6.388 1.00 0.00 H new ATOM 19 N SER A 3 -21.878 -10.041 -7.079 1.00 0.00 N ATOM 20 CA SER A 3 -22.009 -8.938 -6.142 1.00 0.00 C ATOM 21 C SER A 3 -21.618 -9.397 -4.736 1.00 0.00 C ATOM 22 O SER A 3 -21.809 -10.560 -4.383 1.00 0.00 O ATOM 23 CB SER A 3 -23.434 -8.382 -6.142 1.00 0.00 C ATOM 24 OG SER A 3 -23.508 -7.101 -6.761 1.00 0.00 O ATOM 0 H SER A 3 -22.761 -10.393 -7.449 1.00 0.00 H new ATOM 0 HA SER A 3 -21.337 -8.140 -6.457 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.093 -9.075 -6.664 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.795 -8.310 -5.116 1.00 0.00 H new ATOM 0 HG SER A 3 -24.434 -6.782 -6.742 1.00 0.00 H new ATOM 30 N GLY A 4 -21.078 -8.460 -3.971 1.00 0.00 N ATOM 31 CA GLY A 4 -20.658 -8.753 -2.612 1.00 0.00 C ATOM 32 C GLY A 4 -19.146 -8.975 -2.540 1.00 0.00 C ATOM 33 O GLY A 4 -18.529 -9.393 -3.519 1.00 0.00 O ATOM 0 H GLY A 4 -20.922 -7.497 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.940 -7.930 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.177 -9.641 -2.251 1.00 0.00 H new ATOM 37 N SER A 5 -18.592 -8.686 -1.372 1.00 0.00 N ATOM 38 CA SER A 5 -17.164 -8.849 -1.160 1.00 0.00 C ATOM 39 C SER A 5 -16.914 -9.790 0.021 1.00 0.00 C ATOM 40 O SER A 5 -17.140 -9.420 1.172 1.00 0.00 O ATOM 41 CB SER A 5 -16.486 -7.500 -0.916 1.00 0.00 C ATOM 42 OG SER A 5 -15.128 -7.498 -1.348 1.00 0.00 O ATOM 0 H SER A 5 -19.107 -8.340 -0.562 1.00 0.00 H new ATOM 0 HA SER A 5 -16.732 -9.284 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.035 -6.718 -1.442 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.529 -7.260 0.146 1.00 0.00 H new ATOM 0 HG SER A 5 -14.731 -6.618 -1.176 1.00 0.00 H new ATOM 48 N SER A 6 -16.452 -10.988 -0.305 1.00 0.00 N ATOM 49 CA SER A 6 -16.169 -11.984 0.714 1.00 0.00 C ATOM 50 C SER A 6 -15.452 -13.183 0.089 1.00 0.00 C ATOM 51 O SER A 6 -16.080 -14.013 -0.566 1.00 0.00 O ATOM 52 CB SER A 6 -17.453 -12.437 1.412 1.00 0.00 C ATOM 53 OG SER A 6 -18.242 -13.284 0.581 1.00 0.00 O ATOM 0 H SER A 6 -16.267 -11.291 -1.261 1.00 0.00 H new ATOM 0 HA SER A 6 -15.520 -11.532 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.199 -12.965 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.038 -11.563 1.698 1.00 0.00 H new ATOM 0 HG SER A 6 -17.665 -13.950 0.151 1.00 0.00 H new ATOM 59 N GLY A 7 -14.148 -13.235 0.314 1.00 0.00 N ATOM 60 CA GLY A 7 -13.339 -14.318 -0.218 1.00 0.00 C ATOM 61 C GLY A 7 -11.934 -13.829 -0.576 1.00 0.00 C ATOM 62 O GLY A 7 -11.353 -13.020 0.145 1.00 0.00 O ATOM 0 H GLY A 7 -13.631 -12.544 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.272 -15.121 0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.819 -14.734 -1.103 1.00 0.00 H new ATOM 66 N MET A 8 -11.429 -14.341 -1.688 1.00 0.00 N ATOM 67 CA MET A 8 -10.103 -13.967 -2.150 1.00 0.00 C ATOM 68 C MET A 8 -10.171 -12.765 -3.095 1.00 0.00 C ATOM 69 O MET A 8 -11.236 -12.440 -3.616 1.00 0.00 O ATOM 70 CB MET A 8 -9.462 -15.152 -2.875 1.00 0.00 C ATOM 71 CG MET A 8 -10.101 -15.365 -4.249 1.00 0.00 C ATOM 72 SD MET A 8 -9.458 -16.853 -4.997 1.00 0.00 S ATOM 73 CE MET A 8 -10.962 -17.802 -5.143 1.00 0.00 C ATOM 0 H MET A 8 -11.914 -15.012 -2.283 1.00 0.00 H new ATOM 0 HA MET A 8 -9.501 -13.691 -1.284 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.392 -14.977 -2.991 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.574 -16.054 -2.274 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.184 -15.437 -4.148 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.897 -14.508 -4.891 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.740 -18.769 -5.595 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.393 -17.955 -4.154 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.673 -17.263 -5.770 1.00 0.00 H new ATOM 83 N GLY A 9 -9.019 -12.138 -3.286 1.00 0.00 N ATOM 84 CA GLY A 9 -8.934 -10.980 -4.159 1.00 0.00 C ATOM 85 C GLY A 9 -7.717 -10.120 -3.812 1.00 0.00 C ATOM 86 O GLY A 9 -6.604 -10.408 -4.250 1.00 0.00 O ATOM 0 H GLY A 9 -8.137 -12.410 -2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.869 -11.307 -5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.842 -10.384 -4.069 1.00 0.00 H new ATOM 90 N LEU A 10 -7.969 -9.082 -3.029 1.00 0.00 N ATOM 91 CA LEU A 10 -6.908 -8.179 -2.618 1.00 0.00 C ATOM 92 C LEU A 10 -6.388 -7.420 -3.841 1.00 0.00 C ATOM 93 O LEU A 10 -6.610 -6.217 -3.970 1.00 0.00 O ATOM 94 CB LEU A 10 -5.820 -8.941 -1.858 1.00 0.00 C ATOM 95 CG LEU A 10 -4.478 -8.221 -1.709 1.00 0.00 C ATOM 96 CD1 LEU A 10 -4.163 -7.949 -0.236 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.358 -9.002 -2.400 1.00 0.00 C ATOM 0 H LEU A 10 -8.893 -8.846 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.290 -7.435 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.196 -9.176 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.647 -9.890 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.551 -7.254 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.204 -7.437 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.945 -7.323 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.115 -8.893 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.415 -8.469 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.275 -9.992 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.585 -9.102 -3.461 1.00 0.00 H new ATOM 109 N GLU A 11 -5.706 -8.155 -4.707 1.00 0.00 N ATOM 110 CA GLU A 11 -5.153 -7.567 -5.915 1.00 0.00 C ATOM 111 C GLU A 11 -6.115 -6.523 -6.486 1.00 0.00 C ATOM 112 O GLU A 11 -5.684 -5.497 -7.009 1.00 0.00 O ATOM 113 CB GLU A 11 -4.834 -8.644 -6.953 1.00 0.00 C ATOM 114 CG GLU A 11 -4.275 -8.022 -8.234 1.00 0.00 C ATOM 115 CD GLU A 11 -3.389 -9.018 -8.986 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.685 -10.229 -8.886 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.437 -8.547 -9.644 1.00 0.00 O ATOM 0 H GLU A 11 -5.524 -9.152 -4.596 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.218 -7.069 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.111 -9.348 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.736 -9.211 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.096 -7.703 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.698 -7.130 -7.988 1.00 0.00 H new ATOM 124 N GLU A 12 -7.400 -6.821 -6.365 1.00 0.00 N ATOM 125 CA GLU A 12 -8.427 -5.921 -6.863 1.00 0.00 C ATOM 126 C GLU A 12 -8.483 -4.654 -6.007 1.00 0.00 C ATOM 127 O GLU A 12 -8.278 -3.551 -6.510 1.00 0.00 O ATOM 128 CB GLU A 12 -9.790 -6.615 -6.905 1.00 0.00 C ATOM 129 CG GLU A 12 -10.331 -6.675 -8.335 1.00 0.00 C ATOM 130 CD GLU A 12 -11.778 -7.169 -8.354 1.00 0.00 C ATOM 131 OE1 GLU A 12 -12.072 -8.094 -7.567 1.00 0.00 O ATOM 132 OE2 GLU A 12 -12.559 -6.610 -9.155 1.00 0.00 O ATOM 0 H GLU A 12 -7.754 -7.673 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.169 -5.636 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.701 -7.624 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.494 -6.080 -6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.275 -5.686 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.709 -7.339 -8.935 1.00 0.00 H new ATOM 139 N GLU A 13 -8.761 -4.855 -4.727 1.00 0.00 N ATOM 140 CA GLU A 13 -8.846 -3.742 -3.796 1.00 0.00 C ATOM 141 C GLU A 13 -7.582 -2.884 -3.878 1.00 0.00 C ATOM 142 O GLU A 13 -7.653 -1.659 -3.793 1.00 0.00 O ATOM 143 CB GLU A 13 -9.080 -4.239 -2.368 1.00 0.00 C ATOM 144 CG GLU A 13 -7.756 -4.398 -1.619 1.00 0.00 C ATOM 145 CD GLU A 13 -7.985 -4.960 -0.214 1.00 0.00 C ATOM 146 OE1 GLU A 13 -8.797 -4.350 0.515 1.00 0.00 O ATOM 147 OE2 GLU A 13 -7.342 -5.985 0.099 1.00 0.00 O ATOM 0 H GLU A 13 -8.930 -5.772 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.700 -3.124 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.721 -3.537 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.605 -5.194 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.096 -5.062 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.254 -3.433 -1.551 1.00 0.00 H new ATOM 154 N LEU A 14 -6.455 -3.561 -4.042 1.00 0.00 N ATOM 155 CA LEU A 14 -5.177 -2.876 -4.136 1.00 0.00 C ATOM 156 C LEU A 14 -5.207 -1.910 -5.322 1.00 0.00 C ATOM 157 O LEU A 14 -4.878 -0.734 -5.179 1.00 0.00 O ATOM 158 CB LEU A 14 -4.030 -3.887 -4.194 1.00 0.00 C ATOM 159 CG LEU A 14 -3.742 -4.650 -2.900 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.730 -5.772 -3.139 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.290 -3.697 -1.791 1.00 0.00 C ATOM 0 H LEU A 14 -6.400 -4.577 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.998 -2.278 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.250 -4.611 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.123 -3.361 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.668 -5.118 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.543 -6.299 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.128 -6.470 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.797 -5.348 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.092 -4.265 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.382 -3.181 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.074 -2.965 -1.598 1.00 0.00 H new ATOM 173 N LEU A 15 -5.605 -2.444 -6.468 1.00 0.00 N ATOM 174 CA LEU A 15 -5.683 -1.644 -7.679 1.00 0.00 C ATOM 175 C LEU A 15 -6.675 -0.499 -7.466 1.00 0.00 C ATOM 176 O LEU A 15 -6.353 0.661 -7.715 1.00 0.00 O ATOM 177 CB LEU A 15 -6.011 -2.527 -8.884 1.00 0.00 C ATOM 178 CG LEU A 15 -4.901 -3.474 -9.345 1.00 0.00 C ATOM 179 CD1 LEU A 15 -5.471 -4.839 -9.734 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.083 -2.850 -10.477 1.00 0.00 C ATOM 0 H LEU A 15 -5.877 -3.420 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.716 -1.191 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.892 -3.122 -8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.280 -1.881 -9.720 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.221 -3.636 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.661 -5.493 -10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.973 -5.282 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.186 -4.716 -10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.301 -3.544 -10.786 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.736 -2.639 -11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.628 -1.922 -10.129 1.00 0.00 H new ATOM 192 N ARG A 16 -7.863 -0.866 -7.008 1.00 0.00 N ATOM 193 CA ARG A 16 -8.905 0.116 -6.759 1.00 0.00 C ATOM 194 C ARG A 16 -8.351 1.281 -5.936 1.00 0.00 C ATOM 195 O ARG A 16 -8.688 2.437 -6.186 1.00 0.00 O ATOM 196 CB ARG A 16 -10.085 -0.511 -6.013 1.00 0.00 C ATOM 197 CG ARG A 16 -11.171 -0.968 -6.989 1.00 0.00 C ATOM 198 CD ARG A 16 -12.560 -0.850 -6.358 1.00 0.00 C ATOM 199 NE ARG A 16 -13.203 -2.181 -6.298 1.00 0.00 N ATOM 200 CZ ARG A 16 -13.679 -2.835 -7.367 1.00 0.00 C ATOM 201 NH1 ARG A 16 -13.588 -2.283 -8.584 1.00 0.00 N ATOM 202 NH2 ARG A 16 -14.247 -4.039 -7.217 1.00 0.00 N ATOM 0 H ARG A 16 -8.127 -1.830 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.253 0.482 -7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.738 -1.361 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.502 0.212 -5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.127 -0.365 -7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.988 -2.001 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.478 -0.431 -5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.176 -0.165 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.290 -2.629 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.157 -1.366 -8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.950 -2.780 -9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.317 -4.458 -6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.609 -4.537 -8.030 1.00 0.00 H new ATOM 216 N ILE A 17 -7.510 0.936 -4.972 1.00 0.00 N ATOM 217 CA ILE A 17 -6.906 1.939 -4.112 1.00 0.00 C ATOM 218 C ILE A 17 -5.986 2.833 -4.946 1.00 0.00 C ATOM 219 O ILE A 17 -6.213 4.038 -5.049 1.00 0.00 O ATOM 220 CB ILE A 17 -6.206 1.275 -2.924 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.222 0.809 -1.879 1.00 0.00 C ATOM 222 CG2 ILE A 17 -5.149 2.202 -2.322 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.839 -0.560 -1.313 1.00 0.00 C ATOM 0 H ILE A 17 -7.233 -0.024 -4.768 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.673 2.583 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.687 0.388 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.278 1.538 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.213 0.756 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.667 1.706 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.402 2.441 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.624 3.121 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.578 -0.867 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.808 -1.292 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.858 -0.498 -0.842 1.00 0.00 H new ATOM 235 N ALA A 18 -4.968 2.209 -5.520 1.00 0.00 N ATOM 236 CA ALA A 18 -4.014 2.933 -6.342 1.00 0.00 C ATOM 237 C ALA A 18 -4.758 3.964 -7.192 1.00 0.00 C ATOM 238 O ALA A 18 -4.525 5.165 -7.064 1.00 0.00 O ATOM 239 CB ALA A 18 -3.216 1.942 -7.192 1.00 0.00 C ATOM 0 H ALA A 18 -4.783 1.210 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.302 3.473 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.500 2.486 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.682 1.251 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.897 1.383 -7.834 1.00 0.00 H new ATOM 245 N LYS A 19 -5.640 3.458 -8.042 1.00 0.00 N ATOM 246 CA LYS A 19 -6.420 4.320 -8.913 1.00 0.00 C ATOM 247 C LYS A 19 -6.875 5.553 -8.130 1.00 0.00 C ATOM 248 O LYS A 19 -6.708 6.681 -8.590 1.00 0.00 O ATOM 249 CB LYS A 19 -7.570 3.538 -9.551 1.00 0.00 C ATOM 250 CG LYS A 19 -7.055 2.596 -10.641 1.00 0.00 C ATOM 251 CD LYS A 19 -7.605 2.992 -12.013 1.00 0.00 C ATOM 252 CE LYS A 19 -8.664 1.994 -12.487 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.133 1.159 -13.588 1.00 0.00 N ATOM 0 H LYS A 19 -5.831 2.462 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.809 4.676 -9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.092 2.963 -8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.294 4.232 -9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.965 2.619 -10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.348 1.572 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.039 3.991 -11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.791 3.035 -12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.971 1.359 -11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.552 2.529 -12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.864 0.487 -13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.862 1.768 -14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.299 0.634 -13.255 1.00 0.00 H new ATOM 267 N LYS A 20 -7.440 5.295 -6.960 1.00 0.00 N ATOM 268 CA LYS A 20 -7.920 6.370 -6.108 1.00 0.00 C ATOM 269 C LYS A 20 -6.767 7.330 -5.807 1.00 0.00 C ATOM 270 O LYS A 20 -6.892 8.537 -6.010 1.00 0.00 O ATOM 271 CB LYS A 20 -8.590 5.802 -4.855 1.00 0.00 C ATOM 272 CG LYS A 20 -10.066 6.200 -4.793 1.00 0.00 C ATOM 273 CD LYS A 20 -10.635 5.979 -3.391 1.00 0.00 C ATOM 274 CE LYS A 20 -10.283 7.146 -2.466 1.00 0.00 C ATOM 275 NZ LYS A 20 -11.483 7.968 -2.189 1.00 0.00 N ATOM 0 H LYS A 20 -7.576 4.358 -6.582 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.690 6.947 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.502 4.716 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.074 6.165 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.176 7.248 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.635 5.616 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.718 5.869 -3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.241 5.051 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.872 6.765 -1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.511 7.763 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.227 8.756 -1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.858 8.346 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.208 7.380 -1.730 1.00 0.00 H new ATOM 289 N LEU A 21 -5.672 6.759 -5.329 1.00 0.00 N ATOM 290 CA LEU A 21 -4.499 7.549 -4.998 1.00 0.00 C ATOM 291 C LEU A 21 -3.999 8.262 -6.256 1.00 0.00 C ATOM 292 O LEU A 21 -4.006 9.490 -6.322 1.00 0.00 O ATOM 293 CB LEU A 21 -3.438 6.677 -4.323 1.00 0.00 C ATOM 294 CG LEU A 21 -3.827 6.074 -2.971 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.858 4.960 -2.569 1.00 0.00 C ATOM 296 CD2 LEU A 21 -3.931 7.159 -1.897 1.00 0.00 C ATOM 0 H LEU A 21 -5.572 5.758 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.752 8.321 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.180 5.863 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.537 7.276 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.814 5.622 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.157 4.548 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.877 4.172 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.849 5.365 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.209 6.704 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.969 7.661 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.690 7.886 -2.187 1.00 0.00 H new ATOM 308 N GLU A 22 -3.577 7.461 -7.224 1.00 0.00 N ATOM 309 CA GLU A 22 -3.074 8.000 -8.476 1.00 0.00 C ATOM 310 C GLU A 22 -3.938 9.177 -8.932 1.00 0.00 C ATOM 311 O GLU A 22 -3.417 10.198 -9.379 1.00 0.00 O ATOM 312 CB GLU A 22 -3.012 6.916 -9.554 1.00 0.00 C ATOM 313 CG GLU A 22 -2.092 5.770 -9.127 1.00 0.00 C ATOM 314 CD GLU A 22 -0.694 5.937 -9.727 1.00 0.00 C ATOM 315 OE1 GLU A 22 0.106 6.669 -9.107 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.458 5.328 -10.793 1.00 0.00 O ATOM 0 H GLU A 22 -3.573 6.443 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.059 8.361 -8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.014 6.531 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.652 7.347 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.024 5.739 -8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.518 4.819 -9.446 1.00 0.00 H new ATOM 323 N LYS A 23 -5.245 8.996 -8.803 1.00 0.00 N ATOM 324 CA LYS A 23 -6.186 10.030 -9.196 1.00 0.00 C ATOM 325 C LYS A 23 -5.957 11.276 -8.337 1.00 0.00 C ATOM 326 O LYS A 23 -5.743 12.367 -8.864 1.00 0.00 O ATOM 327 CB LYS A 23 -7.620 9.500 -9.139 1.00 0.00 C ATOM 328 CG LYS A 23 -8.630 10.622 -9.386 1.00 0.00 C ATOM 329 CD LYS A 23 -9.995 10.273 -8.789 1.00 0.00 C ATOM 330 CE LYS A 23 -10.117 10.797 -7.356 1.00 0.00 C ATOM 331 NZ LYS A 23 -11.540 10.959 -6.983 1.00 0.00 N ATOM 0 H LYS A 23 -5.674 8.148 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.019 10.322 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.752 8.717 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.805 9.047 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.263 11.549 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.731 10.795 -10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.786 10.701 -9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.134 9.192 -8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.631 10.106 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.600 11.753 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.605 11.315 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.994 11.636 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.023 10.040 -7.049 1.00 0.00 H new ATOM 345 N MET A 24 -6.009 11.071 -7.029 1.00 0.00 N ATOM 346 CA MET A 24 -5.810 12.164 -6.092 1.00 0.00 C ATOM 347 C MET A 24 -4.553 12.964 -6.442 1.00 0.00 C ATOM 348 O MET A 24 -4.601 14.188 -6.548 1.00 0.00 O ATOM 349 CB MET A 24 -5.680 11.604 -4.675 1.00 0.00 C ATOM 350 CG MET A 24 -6.976 10.917 -4.236 1.00 0.00 C ATOM 351 SD MET A 24 -7.437 11.471 -2.603 1.00 0.00 S ATOM 352 CE MET A 24 -7.083 9.995 -1.664 1.00 0.00 C ATOM 0 H MET A 24 -6.186 10.165 -6.596 1.00 0.00 H new ATOM 0 HA MET A 24 -6.671 12.830 -6.152 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.855 10.892 -4.636 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.439 12.410 -3.982 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.774 11.141 -4.944 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.843 9.835 -4.238 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.018 9.535 -1.343 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.528 9.293 -2.286 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.487 10.255 -0.789 1.00 0.00 H new ATOM 362 N VAL A 25 -3.457 12.238 -6.612 1.00 0.00 N ATOM 363 CA VAL A 25 -2.190 12.865 -6.947 1.00 0.00 C ATOM 364 C VAL A 25 -2.365 13.718 -8.205 1.00 0.00 C ATOM 365 O VAL A 25 -1.948 14.875 -8.238 1.00 0.00 O ATOM 366 CB VAL A 25 -1.102 11.799 -7.095 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.281 12.441 -7.220 1.00 0.00 C ATOM 368 CG2 VAL A 25 -1.143 10.808 -5.930 1.00 0.00 C ATOM 0 H VAL A 25 -3.421 11.222 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.869 13.530 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.299 11.245 -8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.036 11.662 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.304 13.088 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.490 13.032 -6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.360 10.061 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.984 11.341 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.115 10.314 -5.906 1.00 0.00 H new ATOM 378 N SER A 26 -2.983 13.115 -9.210 1.00 0.00 N ATOM 379 CA SER A 26 -3.218 13.805 -10.467 1.00 0.00 C ATOM 380 C SER A 26 -4.016 15.086 -10.218 1.00 0.00 C ATOM 381 O SER A 26 -3.693 16.139 -10.766 1.00 0.00 O ATOM 382 CB SER A 26 -3.955 12.905 -11.460 1.00 0.00 C ATOM 383 OG SER A 26 -3.532 13.132 -12.802 1.00 0.00 O ATOM 0 H SER A 26 -3.328 12.156 -9.179 1.00 0.00 H new ATOM 0 HA SER A 26 -2.252 14.064 -10.901 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.785 11.861 -11.198 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.028 13.082 -11.383 1.00 0.00 H new ATOM 0 HG SER A 26 -4.025 12.537 -13.405 1.00 0.00 H new ATOM 389 N ARG A 27 -5.044 14.955 -9.392 1.00 0.00 N ATOM 390 CA ARG A 27 -5.891 16.089 -9.065 1.00 0.00 C ATOM 391 C ARG A 27 -5.264 16.911 -7.937 1.00 0.00 C ATOM 392 O ARG A 27 -5.851 17.890 -7.477 1.00 0.00 O ATOM 393 CB ARG A 27 -7.286 15.629 -8.636 1.00 0.00 C ATOM 394 CG ARG A 27 -8.052 15.030 -9.817 1.00 0.00 C ATOM 395 CD ARG A 27 -8.616 16.129 -10.720 1.00 0.00 C ATOM 396 NE ARG A 27 -9.118 15.540 -11.982 1.00 0.00 N ATOM 397 CZ ARG A 27 -9.847 16.209 -12.885 1.00 0.00 C ATOM 398 NH1 ARG A 27 -10.164 17.493 -12.672 1.00 0.00 N ATOM 399 NH2 ARG A 27 -10.259 15.594 -14.002 1.00 0.00 N ATOM 0 H ARG A 27 -5.309 14.080 -8.939 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.983 16.704 -9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.200 14.889 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.842 16.473 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.390 14.384 -10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.865 14.405 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.423 16.653 -10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.843 16.866 -10.936 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.895 14.564 -12.176 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.850 17.962 -11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.719 18.002 -13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.018 14.616 -14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.814 16.103 -14.690 1.00 0.00 H new ATOM 413 N LYS A 28 -4.080 16.484 -7.524 1.00 0.00 N ATOM 414 CA LYS A 28 -3.367 17.169 -6.458 1.00 0.00 C ATOM 415 C LYS A 28 -4.360 17.583 -5.371 1.00 0.00 C ATOM 416 O LYS A 28 -4.687 18.761 -5.240 1.00 0.00 O ATOM 417 CB LYS A 28 -2.552 18.334 -7.022 1.00 0.00 C ATOM 418 CG LYS A 28 -1.106 18.282 -6.525 1.00 0.00 C ATOM 419 CD LYS A 28 -0.135 18.755 -7.609 1.00 0.00 C ATOM 420 CE LYS A 28 0.309 20.197 -7.355 1.00 0.00 C ATOM 421 NZ LYS A 28 0.879 20.788 -8.587 1.00 0.00 N ATOM 0 H LYS A 28 -3.596 15.672 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.644 16.500 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.567 18.300 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.008 19.279 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.000 18.908 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.856 17.263 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.737 18.101 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.613 18.684 -8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.540 20.791 -7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.051 20.220 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.175 21.767 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.702 20.230 -8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.160 20.783 -9.339 1.00 0.00 H new ATOM 435 N LYS A 29 -4.812 16.591 -4.617 1.00 0.00 N ATOM 436 CA LYS A 29 -5.761 16.837 -3.545 1.00 0.00 C ATOM 437 C LYS A 29 -5.371 16.004 -2.323 1.00 0.00 C ATOM 438 O LYS A 29 -5.090 16.552 -1.258 1.00 0.00 O ATOM 439 CB LYS A 29 -7.191 16.589 -4.028 1.00 0.00 C ATOM 440 CG LYS A 29 -7.851 17.892 -4.484 1.00 0.00 C ATOM 441 CD LYS A 29 -9.118 18.177 -3.677 1.00 0.00 C ATOM 442 CE LYS A 29 -10.320 17.433 -4.261 1.00 0.00 C ATOM 443 NZ LYS A 29 -10.657 16.257 -3.428 1.00 0.00 N ATOM 0 H LYS A 29 -4.538 15.615 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.729 17.883 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.182 15.875 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.777 16.142 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.149 18.718 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.098 17.827 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.968 17.876 -2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.317 19.249 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.178 18.103 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.098 17.113 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.506 15.793 -3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.862 15.586 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.840 16.564 -2.451 1.00 0.00 H new ATOM 457 N THR A 30 -5.365 14.694 -2.517 1.00 0.00 N ATOM 458 CA THR A 30 -5.014 13.779 -1.444 1.00 0.00 C ATOM 459 C THR A 30 -5.702 14.195 -0.142 1.00 0.00 C ATOM 460 O THR A 30 -5.101 14.869 0.694 1.00 0.00 O ATOM 461 CB THR A 30 -3.488 13.738 -1.338 1.00 0.00 C ATOM 462 OG1 THR A 30 -3.098 15.107 -1.409 1.00 0.00 O ATOM 463 CG2 THR A 30 -2.833 13.101 -2.565 1.00 0.00 C ATOM 0 H THR A 30 -5.598 14.244 -3.402 1.00 0.00 H new ATOM 0 HA THR A 30 -5.367 12.769 -1.654 1.00 0.00 H new ATOM 0 HB THR A 30 -3.201 13.184 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.683 15.644 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.750 13.097 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.189 12.077 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.092 13.675 -3.455 1.00 0.00 H new ATOM 471 N GLU A 31 -6.952 13.777 -0.011 1.00 0.00 N ATOM 472 CA GLU A 31 -7.728 14.097 1.174 1.00 0.00 C ATOM 473 C GLU A 31 -7.889 12.857 2.055 1.00 0.00 C ATOM 474 O GLU A 31 -7.634 12.907 3.257 1.00 0.00 O ATOM 475 CB GLU A 31 -9.091 14.682 0.796 1.00 0.00 C ATOM 476 CG GLU A 31 -9.374 15.965 1.580 1.00 0.00 C ATOM 477 CD GLU A 31 -10.728 15.888 2.287 1.00 0.00 C ATOM 478 OE1 GLU A 31 -10.987 14.831 2.903 1.00 0.00 O ATOM 479 OE2 GLU A 31 -11.473 16.887 2.197 1.00 0.00 O ATOM 0 H GLU A 31 -7.447 13.219 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.189 14.855 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.117 14.892 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.873 13.950 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.585 16.128 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.361 16.819 0.903 1.00 0.00 H new ATOM 486 N GLY A 32 -8.312 11.772 1.423 1.00 0.00 N ATOM 487 CA GLY A 32 -8.510 10.521 2.134 1.00 0.00 C ATOM 488 C GLY A 32 -7.464 9.483 1.719 1.00 0.00 C ATOM 489 O GLY A 32 -7.811 8.379 1.303 1.00 0.00 O ATOM 0 H GLY A 32 -8.523 11.734 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.448 10.695 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.510 10.137 1.930 1.00 0.00 H new ATOM 493 N ALA A 33 -6.205 9.875 1.847 1.00 0.00 N ATOM 494 CA ALA A 33 -5.107 8.993 1.491 1.00 0.00 C ATOM 495 C ALA A 33 -4.887 7.979 2.616 1.00 0.00 C ATOM 496 O ALA A 33 -4.677 6.795 2.357 1.00 0.00 O ATOM 497 CB ALA A 33 -3.856 9.825 1.204 1.00 0.00 C ATOM 0 H ALA A 33 -5.921 10.792 2.192 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.342 8.435 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.032 9.163 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.055 10.508 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.588 10.397 2.092 1.00 0.00 H new ATOM 503 N LEU A 34 -4.944 8.481 3.841 1.00 0.00 N ATOM 504 CA LEU A 34 -4.754 7.634 5.006 1.00 0.00 C ATOM 505 C LEU A 34 -5.608 6.372 4.859 1.00 0.00 C ATOM 506 O LEU A 34 -5.084 5.259 4.875 1.00 0.00 O ATOM 507 CB LEU A 34 -5.032 8.418 6.290 1.00 0.00 C ATOM 508 CG LEU A 34 -4.342 7.901 7.554 1.00 0.00 C ATOM 509 CD1 LEU A 34 -2.828 8.109 7.476 1.00 0.00 C ATOM 510 CD2 LEU A 34 -4.945 8.540 8.807 1.00 0.00 C ATOM 0 H LEU A 34 -5.119 9.464 4.052 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.715 7.311 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.730 9.453 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.108 8.423 6.463 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.516 6.827 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.362 7.733 8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.431 7.570 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.612 9.172 7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.437 8.156 9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.822 9.622 8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.006 8.298 8.864 1.00 0.00 H new ATOM 522 N ASP A 35 -6.907 6.589 4.718 1.00 0.00 N ATOM 523 CA ASP A 35 -7.838 5.484 4.568 1.00 0.00 C ATOM 524 C ASP A 35 -7.289 4.496 3.537 1.00 0.00 C ATOM 525 O ASP A 35 -7.274 3.289 3.774 1.00 0.00 O ATOM 526 CB ASP A 35 -9.200 5.974 4.074 1.00 0.00 C ATOM 527 CG ASP A 35 -9.742 7.211 4.794 1.00 0.00 C ATOM 528 OD1 ASP A 35 -9.132 8.286 4.611 1.00 0.00 O ATOM 529 OD2 ASP A 35 -10.754 7.053 5.510 1.00 0.00 O ATOM 0 H ASP A 35 -7.337 7.514 4.704 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.957 5.010 5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.125 6.195 3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.922 5.164 4.181 1.00 0.00 H new ATOM 534 N LEU A 36 -6.850 5.045 2.414 1.00 0.00 N ATOM 535 CA LEU A 36 -6.301 4.228 1.345 1.00 0.00 C ATOM 536 C LEU A 36 -5.032 3.532 1.842 1.00 0.00 C ATOM 537 O LEU A 36 -4.924 2.309 1.775 1.00 0.00 O ATOM 538 CB LEU A 36 -6.089 5.067 0.084 1.00 0.00 C ATOM 539 CG LEU A 36 -7.357 5.590 -0.595 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.037 6.765 -1.522 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.091 4.465 -1.327 1.00 0.00 C ATOM 0 H LEU A 36 -6.863 6.046 2.221 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.005 3.445 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.460 5.919 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.535 4.468 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.030 5.963 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.955 7.118 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.591 7.574 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.337 6.441 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.988 4.864 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.437 4.039 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.371 3.689 -0.614 1.00 0.00 H new ATOM 553 N LEU A 37 -4.104 4.342 2.329 1.00 0.00 N ATOM 554 CA LEU A 37 -2.847 3.819 2.837 1.00 0.00 C ATOM 555 C LEU A 37 -3.133 2.715 3.856 1.00 0.00 C ATOM 556 O LEU A 37 -2.585 1.618 3.758 1.00 0.00 O ATOM 557 CB LEU A 37 -1.978 4.953 3.386 1.00 0.00 C ATOM 558 CG LEU A 37 -1.559 6.025 2.378 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.364 7.378 3.066 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.314 5.592 1.602 1.00 0.00 C ATOM 0 H LEU A 37 -4.197 5.356 2.383 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.269 3.367 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.519 5.438 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.077 4.517 3.818 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.364 6.145 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.066 8.122 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.299 7.686 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.588 7.291 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.038 6.372 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.509 5.426 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.525 4.669 1.062 1.00 0.00 H new ATOM 572 N LYS A 38 -3.990 3.043 4.812 1.00 0.00 N ATOM 573 CA LYS A 38 -4.356 2.093 5.848 1.00 0.00 C ATOM 574 C LYS A 38 -4.619 0.727 5.211 1.00 0.00 C ATOM 575 O LYS A 38 -3.890 -0.231 5.464 1.00 0.00 O ATOM 576 CB LYS A 38 -5.531 2.624 6.672 1.00 0.00 C ATOM 577 CG LYS A 38 -5.090 3.778 7.574 1.00 0.00 C ATOM 578 CD LYS A 38 -6.007 3.903 8.792 1.00 0.00 C ATOM 579 CE LYS A 38 -5.914 5.301 9.407 1.00 0.00 C ATOM 580 NZ LYS A 38 -6.781 5.400 10.603 1.00 0.00 N ATOM 0 H LYS A 38 -4.442 3.954 4.891 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.535 1.964 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.324 2.962 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.946 1.820 7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.063 3.616 7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.100 4.710 7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.037 3.698 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.733 3.155 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.881 5.516 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.212 6.049 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.706 6.355 11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.768 5.215 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.479 4.700 11.310 1.00 0.00 H new ATOM 594 N LYS A 39 -5.664 0.680 4.398 1.00 0.00 N ATOM 595 CA LYS A 39 -6.033 -0.553 3.723 1.00 0.00 C ATOM 596 C LYS A 39 -4.771 -1.232 3.186 1.00 0.00 C ATOM 597 O LYS A 39 -4.499 -2.387 3.508 1.00 0.00 O ATOM 598 CB LYS A 39 -7.089 -0.281 2.650 1.00 0.00 C ATOM 599 CG LYS A 39 -8.499 -0.501 3.201 1.00 0.00 C ATOM 600 CD LYS A 39 -8.861 -1.987 3.205 1.00 0.00 C ATOM 601 CE LYS A 39 -10.378 -2.182 3.247 1.00 0.00 C ATOM 602 NZ LYS A 39 -10.830 -2.437 4.633 1.00 0.00 N ATOM 0 H LYS A 39 -6.267 1.476 4.191 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.496 -1.248 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.991 0.743 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.922 -0.937 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.563 -0.105 4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.219 0.051 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.454 -2.467 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.404 -2.474 4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.875 -1.296 2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.661 -3.017 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.862 -2.567 4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.369 -3.296 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.577 -1.628 5.235 1.00 0.00 H new ATOM 616 N LEU A 40 -4.035 -0.486 2.375 1.00 0.00 N ATOM 617 CA LEU A 40 -2.809 -1.001 1.790 1.00 0.00 C ATOM 618 C LEU A 40 -1.998 -1.721 2.869 1.00 0.00 C ATOM 619 O LEU A 40 -1.637 -2.886 2.707 1.00 0.00 O ATOM 620 CB LEU A 40 -2.040 0.118 1.086 1.00 0.00 C ATOM 621 CG LEU A 40 -2.753 0.783 -0.093 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.890 1.891 -0.701 1.00 0.00 C ATOM 623 CD2 LEU A 40 -3.173 -0.254 -1.136 1.00 0.00 C ATOM 0 H LEU A 40 -4.265 0.472 2.109 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.035 -1.736 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.802 0.887 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.093 -0.287 0.730 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.664 1.252 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.420 2.347 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.684 2.648 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.950 1.467 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.677 0.246 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.290 -0.773 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.851 -0.975 -0.680 1.00 0.00 H new ATOM 635 N ASN A 41 -1.734 -0.997 3.947 1.00 0.00 N ATOM 636 CA ASN A 41 -0.972 -1.552 5.053 1.00 0.00 C ATOM 637 C ASN A 41 -1.598 -2.880 5.483 1.00 0.00 C ATOM 638 O ASN A 41 -0.887 -3.824 5.825 1.00 0.00 O ATOM 639 CB ASN A 41 -0.985 -0.610 6.259 1.00 0.00 C ATOM 640 CG ASN A 41 0.019 -1.064 7.320 1.00 0.00 C ATOM 641 OD1 ASN A 41 -0.194 -2.024 8.043 1.00 0.00 O ATOM 642 ND2 ASN A 41 1.121 -0.322 7.375 1.00 0.00 N ATOM 0 H ASN A 41 -2.034 -0.031 4.078 1.00 0.00 H new ATOM 0 HA ASN A 41 0.055 -1.693 4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.745 0.403 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.986 -0.579 6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.851 -0.543 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.236 0.468 6.740 1.00 0.00 H new ATOM 649 N SER A 42 -2.922 -2.910 5.453 1.00 0.00 N ATOM 650 CA SER A 42 -3.652 -4.107 5.836 1.00 0.00 C ATOM 651 C SER A 42 -4.039 -4.905 4.589 1.00 0.00 C ATOM 652 O SER A 42 -5.114 -5.502 4.539 1.00 0.00 O ATOM 653 CB SER A 42 -4.900 -3.754 6.649 1.00 0.00 C ATOM 654 OG SER A 42 -5.019 -4.559 7.819 1.00 0.00 O ATOM 0 H SER A 42 -3.508 -2.125 5.170 1.00 0.00 H new ATOM 0 HA SER A 42 -3.003 -4.718 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.862 -2.703 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.786 -3.884 6.028 1.00 0.00 H new ATOM 0 HG SER A 42 -5.826 -4.303 8.312 1.00 0.00 H new ATOM 660 N CYS A 43 -3.143 -4.889 3.614 1.00 0.00 N ATOM 661 CA CYS A 43 -3.377 -5.604 2.370 1.00 0.00 C ATOM 662 C CYS A 43 -2.095 -6.349 1.996 1.00 0.00 C ATOM 663 O CYS A 43 -1.073 -5.728 1.709 1.00 0.00 O ATOM 664 CB CYS A 43 -3.837 -4.663 1.255 1.00 0.00 C ATOM 665 SG CYS A 43 -5.580 -4.174 1.526 1.00 0.00 S ATOM 0 H CYS A 43 -2.253 -4.392 3.660 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.186 -6.322 2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.202 -3.777 1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.735 -5.155 0.288 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.656 -3.396 2.564 1.00 0.00 H new ATOM 671 N GLN A 44 -2.191 -7.671 2.011 1.00 0.00 N ATOM 672 CA GLN A 44 -1.051 -8.508 1.677 1.00 0.00 C ATOM 673 C GLN A 44 -0.496 -8.125 0.304 1.00 0.00 C ATOM 674 O GLN A 44 -1.051 -8.511 -0.724 1.00 0.00 O ATOM 675 CB GLN A 44 -1.428 -9.990 1.722 1.00 0.00 C ATOM 676 CG GLN A 44 -0.419 -10.836 0.942 1.00 0.00 C ATOM 677 CD GLN A 44 -0.089 -12.127 1.694 1.00 0.00 C ATOM 678 OE1 GLN A 44 -0.342 -12.268 2.879 1.00 0.00 O ATOM 679 NE2 GLN A 44 0.489 -13.058 0.941 1.00 0.00 N ATOM 0 H GLN A 44 -3.041 -8.183 2.249 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.272 -8.342 2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.468 -10.328 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.425 -10.128 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.824 -11.077 -0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.493 -10.262 0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.673 -12.875 -0.045 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.749 -13.956 1.350 1.00 0.00 H new ATOM 688 N MET A 45 0.592 -7.369 0.331 1.00 0.00 N ATOM 689 CA MET A 45 1.229 -6.930 -0.899 1.00 0.00 C ATOM 690 C MET A 45 2.253 -7.958 -1.385 1.00 0.00 C ATOM 691 O MET A 45 2.774 -8.741 -0.593 1.00 0.00 O ATOM 692 CB MET A 45 1.924 -5.588 -0.663 1.00 0.00 C ATOM 693 CG MET A 45 2.494 -5.028 -1.968 1.00 0.00 C ATOM 694 SD MET A 45 1.171 -4.707 -3.123 1.00 0.00 S ATOM 695 CE MET A 45 0.247 -3.486 -2.206 1.00 0.00 C ATOM 0 H MET A 45 1.048 -7.049 1.185 1.00 0.00 H new ATOM 0 HA MET A 45 0.461 -6.822 -1.665 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.215 -4.878 -0.237 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.726 -5.713 0.064 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.045 -4.109 -1.769 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.201 -5.737 -2.400 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.453 -2.983 -2.873 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.305 -3.975 -1.403 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.934 -2.754 -1.781 1.00 0.00 H new ATOM 705 N SER A 46 2.511 -7.921 -2.684 1.00 0.00 N ATOM 706 CA SER A 46 3.463 -8.839 -3.284 1.00 0.00 C ATOM 707 C SER A 46 4.228 -8.139 -4.409 1.00 0.00 C ATOM 708 O SER A 46 3.796 -7.099 -4.904 1.00 0.00 O ATOM 709 CB SER A 46 2.761 -10.090 -3.817 1.00 0.00 C ATOM 710 OG SER A 46 2.574 -11.071 -2.801 1.00 0.00 O ATOM 0 H SER A 46 2.077 -7.269 -3.338 1.00 0.00 H new ATOM 0 HA SER A 46 4.168 -9.152 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.793 -9.812 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.349 -10.517 -4.630 1.00 0.00 H new ATOM 0 HG SER A 46 2.588 -10.638 -1.922 1.00 0.00 H new ATOM 716 N ILE A 47 5.350 -8.738 -4.780 1.00 0.00 N ATOM 717 CA ILE A 47 6.179 -8.185 -5.838 1.00 0.00 C ATOM 718 C ILE A 47 5.373 -8.134 -7.138 1.00 0.00 C ATOM 719 O ILE A 47 5.225 -7.072 -7.740 1.00 0.00 O ATOM 720 CB ILE A 47 7.489 -8.966 -5.956 1.00 0.00 C ATOM 721 CG1 ILE A 47 8.197 -9.057 -4.603 1.00 0.00 C ATOM 722 CG2 ILE A 47 8.390 -8.365 -7.037 1.00 0.00 C ATOM 723 CD1 ILE A 47 8.019 -10.444 -3.983 1.00 0.00 C ATOM 0 H ILE A 47 5.705 -9.601 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 47 6.466 -7.161 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 47 7.253 -9.985 -6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.259 -8.845 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.798 -8.299 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.315 -8.939 -7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.876 -8.397 -7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.622 -7.330 -6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.532 -10.482 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.958 -10.643 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.440 -11.197 -4.649 1.00 0.00 H new ATOM 735 N GLN A 48 4.873 -9.296 -7.532 1.00 0.00 N ATOM 736 CA GLN A 48 4.087 -9.398 -8.749 1.00 0.00 C ATOM 737 C GLN A 48 2.956 -8.367 -8.738 1.00 0.00 C ATOM 738 O GLN A 48 2.695 -7.715 -9.748 1.00 0.00 O ATOM 739 CB GLN A 48 3.536 -10.814 -8.930 1.00 0.00 C ATOM 740 CG GLN A 48 3.949 -11.394 -10.284 1.00 0.00 C ATOM 741 CD GLN A 48 5.289 -12.125 -10.181 1.00 0.00 C ATOM 742 OE1 GLN A 48 5.399 -13.198 -9.611 1.00 0.00 O ATOM 743 NE2 GLN A 48 6.300 -11.486 -10.764 1.00 0.00 N ATOM 0 H GLN A 48 4.997 -10.175 -7.030 1.00 0.00 H new ATOM 0 HA GLN A 48 4.738 -9.186 -9.597 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.902 -11.456 -8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.449 -10.798 -8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.182 -12.082 -10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.023 -10.593 -11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.139 -10.590 -11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.236 -11.892 -10.751 1.00 0.00 H new ATOM 752 N LEU A 49 2.315 -8.252 -7.585 1.00 0.00 N ATOM 753 CA LEU A 49 1.218 -7.312 -7.429 1.00 0.00 C ATOM 754 C LEU A 49 1.772 -5.885 -7.424 1.00 0.00 C ATOM 755 O LEU A 49 1.148 -4.971 -7.961 1.00 0.00 O ATOM 756 CB LEU A 49 0.390 -7.654 -6.188 1.00 0.00 C ATOM 757 CG LEU A 49 -0.091 -9.103 -6.082 1.00 0.00 C ATOM 758 CD1 LEU A 49 -0.620 -9.404 -4.679 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.125 -9.418 -7.165 1.00 0.00 C ATOM 0 H LEU A 49 2.534 -8.794 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 49 0.531 -7.386 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.984 -7.424 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.482 -7.000 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 49 0.762 -9.759 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.955 -10.440 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.174 -9.245 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.456 -8.741 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.450 -10.454 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.983 -8.756 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.679 -9.269 -8.148 1.00 0.00 H new ATOM 771 N LEU A 50 2.937 -5.739 -6.811 1.00 0.00 N ATOM 772 CA LEU A 50 3.582 -4.440 -6.729 1.00 0.00 C ATOM 773 C LEU A 50 3.708 -3.848 -8.134 1.00 0.00 C ATOM 774 O LEU A 50 3.775 -2.630 -8.295 1.00 0.00 O ATOM 775 CB LEU A 50 4.915 -4.549 -5.985 1.00 0.00 C ATOM 776 CG LEU A 50 4.853 -4.366 -4.468 1.00 0.00 C ATOM 777 CD1 LEU A 50 6.219 -4.625 -3.828 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.304 -2.985 -4.104 1.00 0.00 C ATOM 0 H LEU A 50 3.451 -6.499 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 50 2.974 -3.749 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.347 -5.527 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.598 -3.804 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 50 4.161 -5.105 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.147 -4.488 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.534 -5.646 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.950 -3.926 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.270 -2.881 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.951 -2.214 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.299 -2.874 -4.510 1.00 0.00 H new ATOM 790 N GLN A 51 3.736 -4.737 -9.115 1.00 0.00 N ATOM 791 CA GLN A 51 3.853 -4.318 -10.502 1.00 0.00 C ATOM 792 C GLN A 51 2.467 -4.070 -11.100 1.00 0.00 C ATOM 793 O GLN A 51 2.255 -3.076 -11.793 1.00 0.00 O ATOM 794 CB GLN A 51 4.628 -5.351 -11.323 1.00 0.00 C ATOM 795 CG GLN A 51 6.111 -5.347 -10.950 1.00 0.00 C ATOM 796 CD GLN A 51 6.908 -6.285 -11.860 1.00 0.00 C ATOM 797 OE1 GLN A 51 7.228 -5.968 -12.994 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.210 -7.453 -11.301 1.00 0.00 N ATOM 0 H GLN A 51 3.680 -5.746 -8.978 1.00 0.00 H new ATOM 0 HA GLN A 51 4.413 -3.383 -10.533 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.210 -6.343 -11.154 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.516 -5.135 -12.385 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.507 -4.335 -11.029 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.229 -5.655 -9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.911 -7.654 -10.347 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.741 -8.148 -11.826 1.00 0.00 H new ATOM 807 N THR A 52 1.559 -4.991 -10.810 1.00 0.00 N ATOM 808 CA THR A 52 0.199 -4.884 -11.311 1.00 0.00 C ATOM 809 C THR A 52 -0.515 -3.694 -10.667 1.00 0.00 C ATOM 810 O THR A 52 -0.995 -2.802 -11.364 1.00 0.00 O ATOM 811 CB THR A 52 -0.502 -6.221 -11.062 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.703 -6.251 -9.652 1.00 0.00 O ATOM 813 CG2 THR A 52 0.408 -7.420 -11.335 1.00 0.00 C ATOM 0 H THR A 52 1.738 -5.814 -10.235 1.00 0.00 H new ATOM 0 HA THR A 52 0.186 -4.688 -12.383 1.00 0.00 H new ATOM 0 HB THR A 52 -1.389 -6.288 -11.693 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.296 -6.996 -9.422 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.139 -8.343 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.733 -7.401 -12.375 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.279 -7.372 -10.682 1.00 0.00 H new ATOM 821 N THR A 53 -0.562 -3.720 -9.343 1.00 0.00 N ATOM 822 CA THR A 53 -1.209 -2.654 -8.596 1.00 0.00 C ATOM 823 C THR A 53 -0.409 -1.355 -8.719 1.00 0.00 C ATOM 824 O THR A 53 -0.959 -0.266 -8.559 1.00 0.00 O ATOM 825 CB THR A 53 -1.382 -3.126 -7.152 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.049 -3.325 -6.689 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.018 -4.515 -7.062 1.00 0.00 C ATOM 0 H THR A 53 -0.163 -4.462 -8.768 1.00 0.00 H new ATOM 0 HA THR A 53 -2.196 -2.431 -9.000 1.00 0.00 H new ATOM 0 HB THR A 53 -1.996 -2.409 -6.608 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.326 -4.128 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.118 -4.802 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.003 -4.495 -7.529 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.387 -5.238 -7.578 1.00 0.00 H new ATOM 835 N ARG A 54 0.875 -1.513 -9.003 1.00 0.00 N ATOM 836 CA ARG A 54 1.756 -0.367 -9.149 1.00 0.00 C ATOM 837 C ARG A 54 1.471 0.664 -8.055 1.00 0.00 C ATOM 838 O ARG A 54 1.642 1.864 -8.268 1.00 0.00 O ATOM 839 CB ARG A 54 1.580 0.291 -10.519 1.00 0.00 C ATOM 840 CG ARG A 54 2.653 -0.188 -11.499 1.00 0.00 C ATOM 841 CD ARG A 54 3.501 0.983 -11.999 1.00 0.00 C ATOM 842 NE ARG A 54 4.460 0.512 -13.024 1.00 0.00 N ATOM 843 CZ ARG A 54 5.158 1.324 -13.829 1.00 0.00 C ATOM 844 NH1 ARG A 54 5.008 2.652 -13.734 1.00 0.00 N ATOM 845 NH2 ARG A 54 6.005 0.808 -14.730 1.00 0.00 N ATOM 0 H ARG A 54 1.327 -2.418 -9.136 1.00 0.00 H new ATOM 0 HA ARG A 54 2.782 -0.723 -9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.591 0.058 -10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.634 1.375 -10.416 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.293 -0.923 -11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.181 -0.687 -12.345 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.857 1.756 -12.419 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.039 1.435 -11.166 1.00 0.00 H new ATOM 0 HE ARG A 54 4.598 -0.494 -13.123 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.362 3.045 -13.049 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.539 3.270 -14.347 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.118 -0.203 -14.803 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.536 1.426 -15.343 1.00 0.00 H new ATOM 859 N ILE A 55 1.041 0.159 -6.908 1.00 0.00 N ATOM 860 CA ILE A 55 0.731 1.022 -5.781 1.00 0.00 C ATOM 861 C ILE A 55 2.023 1.650 -5.254 1.00 0.00 C ATOM 862 O ILE A 55 1.997 2.728 -4.663 1.00 0.00 O ATOM 863 CB ILE A 55 -0.056 0.252 -4.718 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.627 1.202 -3.663 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.801 -0.851 -4.093 1.00 0.00 C ATOM 866 CD1 ILE A 55 -1.878 1.912 -4.184 1.00 0.00 C ATOM 0 H ILE A 55 0.900 -0.836 -6.735 1.00 0.00 H new ATOM 0 HA ILE A 55 0.083 1.840 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.902 -0.234 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.871 0.643 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.126 1.940 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.218 -1.383 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.117 -1.549 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.679 -0.408 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.264 2.581 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.625 2.489 -5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.638 1.172 -4.436 1.00 0.00 H new ATOM 878 N GLY A 56 3.123 0.949 -5.488 1.00 0.00 N ATOM 879 CA GLY A 56 4.422 1.424 -5.044 1.00 0.00 C ATOM 880 C GLY A 56 4.639 2.884 -5.449 1.00 0.00 C ATOM 881 O GLY A 56 5.129 3.686 -4.655 1.00 0.00 O ATOM 0 H GLY A 56 3.141 0.055 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.498 1.328 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.207 0.803 -5.475 1.00 0.00 H new ATOM 885 N VAL A 57 4.263 3.185 -6.683 1.00 0.00 N ATOM 886 CA VAL A 57 4.410 4.534 -7.202 1.00 0.00 C ATOM 887 C VAL A 57 3.271 5.407 -6.672 1.00 0.00 C ATOM 888 O VAL A 57 3.433 6.616 -6.515 1.00 0.00 O ATOM 889 CB VAL A 57 4.476 4.502 -8.731 1.00 0.00 C ATOM 890 CG1 VAL A 57 3.209 3.879 -9.322 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.716 5.902 -9.299 1.00 0.00 C ATOM 0 H VAL A 57 3.857 2.518 -7.339 1.00 0.00 H new ATOM 0 HA VAL A 57 5.345 4.975 -6.858 1.00 0.00 H new ATOM 0 HB VAL A 57 5.321 3.876 -9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.282 3.869 -10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.101 2.858 -8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.341 4.466 -9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.759 5.851 -10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.902 6.561 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.659 6.293 -8.917 1.00 0.00 H new ATOM 901 N ALA A 58 2.145 4.760 -6.410 1.00 0.00 N ATOM 902 CA ALA A 58 0.980 5.463 -5.900 1.00 0.00 C ATOM 903 C ALA A 58 1.320 6.091 -4.547 1.00 0.00 C ATOM 904 O ALA A 58 1.197 7.303 -4.373 1.00 0.00 O ATOM 905 CB ALA A 58 -0.203 4.495 -5.813 1.00 0.00 C ATOM 0 H ALA A 58 2.015 3.757 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 58 0.693 6.269 -6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.077 5.022 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.423 4.099 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.048 3.673 -5.142 1.00 0.00 H new ATOM 911 N VAL A 59 1.740 5.239 -3.624 1.00 0.00 N ATOM 912 CA VAL A 59 2.098 5.695 -2.292 1.00 0.00 C ATOM 913 C VAL A 59 3.095 6.851 -2.405 1.00 0.00 C ATOM 914 O VAL A 59 2.796 7.974 -2.001 1.00 0.00 O ATOM 915 CB VAL A 59 2.632 4.525 -1.464 1.00 0.00 C ATOM 916 CG1 VAL A 59 2.994 4.976 -0.047 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.627 3.372 -1.432 1.00 0.00 C ATOM 0 H VAL A 59 1.840 4.235 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 59 1.220 6.072 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 59 3.542 4.163 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.371 4.125 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.762 5.748 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.108 5.376 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.031 2.553 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.693 3.716 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.440 3.024 -2.448 1.00 0.00 H new ATOM 927 N ASN A 60 4.258 6.536 -2.955 1.00 0.00 N ATOM 928 CA ASN A 60 5.300 7.535 -3.126 1.00 0.00 C ATOM 929 C ASN A 60 4.677 8.830 -3.650 1.00 0.00 C ATOM 930 O ASN A 60 4.957 9.911 -3.133 1.00 0.00 O ATOM 931 CB ASN A 60 6.347 7.069 -4.139 1.00 0.00 C ATOM 932 CG ASN A 60 7.420 8.140 -4.349 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.312 9.005 -5.203 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.459 8.034 -3.526 1.00 0.00 N ATOM 0 H ASN A 60 4.502 5.603 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 60 5.779 7.693 -2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.812 6.147 -3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.863 6.842 -5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.228 8.701 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.487 7.286 -2.833 1.00 0.00 H new ATOM 941 N GLY A 61 3.845 8.679 -4.670 1.00 0.00 N ATOM 942 CA GLY A 61 3.181 9.824 -5.270 1.00 0.00 C ATOM 943 C GLY A 61 2.554 10.718 -4.198 1.00 0.00 C ATOM 944 O GLY A 61 2.572 11.942 -4.318 1.00 0.00 O ATOM 0 H GLY A 61 3.615 7.781 -5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.898 10.400 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.410 9.481 -5.960 1.00 0.00 H new ATOM 948 N VAL A 62 2.016 10.071 -3.175 1.00 0.00 N ATOM 949 CA VAL A 62 1.385 10.793 -2.083 1.00 0.00 C ATOM 950 C VAL A 62 2.464 11.325 -1.138 1.00 0.00 C ATOM 951 O VAL A 62 2.494 12.516 -0.833 1.00 0.00 O ATOM 952 CB VAL A 62 0.366 9.892 -1.380 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.718 10.724 -0.692 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.250 8.893 -2.361 1.00 0.00 C ATOM 0 H VAL A 62 2.004 9.056 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 62 0.833 11.653 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 62 0.892 9.326 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.429 10.060 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.259 11.378 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.239 11.328 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.970 8.265 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.755 9.433 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.536 8.268 -2.785 1.00 0.00 H new ATOM 964 N ARG A 63 3.323 10.416 -0.700 1.00 0.00 N ATOM 965 CA ARG A 63 4.401 10.779 0.204 1.00 0.00 C ATOM 966 C ARG A 63 5.166 11.987 -0.341 1.00 0.00 C ATOM 967 O ARG A 63 5.845 12.686 0.410 1.00 0.00 O ATOM 968 CB ARG A 63 5.373 9.613 0.398 1.00 0.00 C ATOM 969 CG ARG A 63 6.607 10.054 1.188 1.00 0.00 C ATOM 970 CD ARG A 63 7.480 8.853 1.557 1.00 0.00 C ATOM 971 NE ARG A 63 8.715 9.313 2.230 1.00 0.00 N ATOM 972 CZ ARG A 63 9.832 9.675 1.585 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.876 9.633 0.246 1.00 0.00 N ATOM 974 NH2 ARG A 63 10.905 10.079 2.278 1.00 0.00 N ATOM 0 H ARG A 63 3.294 9.429 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 63 3.956 11.030 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.872 8.800 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.678 9.224 -0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.188 10.762 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.296 10.574 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.928 8.179 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.734 8.288 0.660 1.00 0.00 H new ATOM 0 HE ARG A 63 8.716 9.357 3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.059 9.325 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.726 9.909 -0.245 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.872 10.111 3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.755 10.355 1.787 1.00 0.00 H new ATOM 988 N LYS A 64 5.031 12.195 -1.643 1.00 0.00 N ATOM 989 CA LYS A 64 5.702 13.306 -2.296 1.00 0.00 C ATOM 990 C LYS A 64 4.741 14.493 -2.388 1.00 0.00 C ATOM 991 O LYS A 64 5.132 15.633 -2.141 1.00 0.00 O ATOM 992 CB LYS A 64 6.269 12.869 -3.648 1.00 0.00 C ATOM 993 CG LYS A 64 6.390 14.058 -4.603 1.00 0.00 C ATOM 994 CD LYS A 64 6.872 13.607 -5.983 1.00 0.00 C ATOM 995 CE LYS A 64 8.034 14.477 -6.469 1.00 0.00 C ATOM 996 NZ LYS A 64 7.575 15.414 -7.519 1.00 0.00 N ATOM 0 H LYS A 64 4.467 11.613 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 64 6.559 13.633 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.248 12.412 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.624 12.109 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.424 14.554 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.086 14.789 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.187 12.564 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.049 13.662 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.453 15.036 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.831 13.845 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.375 15.997 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.197 14.875 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.830 16.029 -7.134 1.00 0.00 H new ATOM 1010 N HIS A 65 3.502 14.185 -2.743 1.00 0.00 N ATOM 1011 CA HIS A 65 2.483 15.212 -2.870 1.00 0.00 C ATOM 1012 C HIS A 65 1.807 15.435 -1.516 1.00 0.00 C ATOM 1013 O HIS A 65 0.725 16.015 -1.446 1.00 0.00 O ATOM 1014 CB HIS A 65 1.489 14.858 -3.978 1.00 0.00 C ATOM 1015 CG HIS A 65 2.089 14.853 -5.363 1.00 0.00 C ATOM 1016 ND1 HIS A 65 3.169 14.188 -5.864 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 1.571 15.599 -6.407 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 3.302 14.508 -7.146 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 2.312 15.384 -7.484 1.00 0.00 N flip ATOM 0 H HIS A 65 3.181 13.238 -2.947 1.00 0.00 H new ATOM 0 HA HIS A 65 2.946 16.154 -3.165 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.067 13.874 -3.773 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.664 15.570 -3.953 1.00 0.00 H new ATOM 0 HD1 HIS A 65 3.773 13.552 -5.342 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.709 16.247 -6.353 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.067 14.136 -7.811 1.00 0.00 H new ATOM 1027 N CYS A 66 2.473 14.961 -0.473 1.00 0.00 N ATOM 1028 CA CYS A 66 1.950 15.100 0.876 1.00 0.00 C ATOM 1029 C CYS A 66 3.131 15.267 1.834 1.00 0.00 C ATOM 1030 O CYS A 66 4.098 14.510 1.770 1.00 0.00 O ATOM 1031 CB CYS A 66 1.063 13.916 1.264 1.00 0.00 C ATOM 1032 SG CYS A 66 -0.524 14.519 1.948 1.00 0.00 S ATOM 0 H CYS A 66 3.370 14.480 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 66 1.311 15.981 0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.878 13.289 0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.573 13.295 2.000 1.00 0.00 H new ATOM 0 HG CYS A 66 -0.760 13.929 3.082 1.00 0.00 H new ATOM 1038 N SER A 67 3.012 16.262 2.701 1.00 0.00 N ATOM 1039 CA SER A 67 4.058 16.537 3.671 1.00 0.00 C ATOM 1040 C SER A 67 3.551 16.245 5.085 1.00 0.00 C ATOM 1041 O SER A 67 4.222 16.558 6.066 1.00 0.00 O ATOM 1042 CB SER A 67 4.536 17.987 3.569 1.00 0.00 C ATOM 1043 OG SER A 67 5.953 18.091 3.684 1.00 0.00 O ATOM 0 H SER A 67 2.208 16.887 2.752 1.00 0.00 H new ATOM 0 HA SER A 67 4.905 15.886 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.218 18.407 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.064 18.580 4.352 1.00 0.00 H new ATOM 0 HG SER A 67 6.219 19.032 3.612 1.00 0.00 H new ATOM 1049 N ASP A 68 2.369 15.647 5.143 1.00 0.00 N ATOM 1050 CA ASP A 68 1.764 15.308 6.420 1.00 0.00 C ATOM 1051 C ASP A 68 2.725 14.423 7.216 1.00 0.00 C ATOM 1052 O ASP A 68 3.906 14.326 6.883 1.00 0.00 O ATOM 1053 CB ASP A 68 0.460 14.532 6.223 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.494 15.125 5.184 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -0.409 16.353 4.971 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -1.287 14.336 4.627 1.00 0.00 O ATOM 0 H ASP A 68 1.815 15.389 4.326 1.00 0.00 H new ATOM 0 HA ASP A 68 1.554 16.237 6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.703 13.511 5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.059 14.474 7.180 1.00 0.00 H new ATOM 1061 N LYS A 69 2.184 13.800 8.253 1.00 0.00 N ATOM 1062 CA LYS A 69 2.979 12.927 9.099 1.00 0.00 C ATOM 1063 C LYS A 69 2.364 11.526 9.100 1.00 0.00 C ATOM 1064 O LYS A 69 3.063 10.537 8.884 1.00 0.00 O ATOM 1065 CB LYS A 69 3.135 13.531 10.496 1.00 0.00 C ATOM 1066 CG LYS A 69 3.752 12.520 11.465 1.00 0.00 C ATOM 1067 CD LYS A 69 4.428 13.229 12.640 1.00 0.00 C ATOM 1068 CE LYS A 69 3.853 12.749 13.974 1.00 0.00 C ATOM 1069 NZ LYS A 69 4.067 13.767 15.027 1.00 0.00 N ATOM 0 H LYS A 69 1.205 13.883 8.526 1.00 0.00 H new ATOM 0 HA LYS A 69 3.990 12.831 8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.763 14.420 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.162 13.850 10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.978 11.849 11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.482 11.905 10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.501 13.041 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.291 14.306 12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.787 12.548 13.866 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.327 11.811 14.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.671 13.425 15.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.086 13.939 15.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.594 14.653 14.755 1.00 0.00 H new ATOM 1083 N GLU A 70 1.062 11.487 9.344 1.00 0.00 N ATOM 1084 CA GLU A 70 0.345 10.224 9.375 1.00 0.00 C ATOM 1085 C GLU A 70 0.151 9.688 7.956 1.00 0.00 C ATOM 1086 O GLU A 70 0.395 8.511 7.694 1.00 0.00 O ATOM 1087 CB GLU A 70 -0.998 10.374 10.093 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.893 9.927 11.552 1.00 0.00 C ATOM 1089 CD GLU A 70 -1.519 8.545 11.749 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -0.870 7.563 11.329 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -2.633 8.501 12.315 1.00 0.00 O ATOM 0 H GLU A 70 0.486 12.310 9.522 1.00 0.00 H new ATOM 0 HA GLU A 70 0.941 9.504 9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.323 11.413 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.756 9.781 9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.154 9.902 11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.393 10.652 12.195 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.286 10.577 7.076 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.515 10.208 5.689 1.00 0.00 C ATOM 1100 C VAL A 71 0.828 9.925 5.013 1.00 0.00 C ATOM 1101 O VAL A 71 0.898 9.137 4.072 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.322 11.300 4.984 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.392 11.043 3.477 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -2.723 11.422 5.586 1.00 0.00 C ATOM 0 H VAL A 71 -0.488 11.552 7.297 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.107 9.295 5.629 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.808 12.249 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.971 11.833 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.384 11.031 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.871 10.081 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.275 12.205 5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.249 10.474 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.644 11.674 6.643 1.00 0.00 H new ATOM 1114 N VAL A 72 1.859 10.585 5.519 1.00 0.00 N ATOM 1115 CA VAL A 72 3.196 10.414 4.975 1.00 0.00 C ATOM 1116 C VAL A 72 3.863 9.210 5.642 1.00 0.00 C ATOM 1117 O VAL A 72 4.566 8.443 4.986 1.00 0.00 O ATOM 1118 CB VAL A 72 3.996 11.708 5.138 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.496 11.418 5.223 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.691 12.688 4.004 1.00 0.00 C ATOM 0 H VAL A 72 1.796 11.239 6.299 1.00 0.00 H new ATOM 0 HA VAL A 72 3.150 10.208 3.906 1.00 0.00 H new ATOM 0 HB VAL A 72 3.691 12.174 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.042 12.354 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.694 10.774 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.822 10.918 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.273 13.599 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.954 12.233 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.629 12.931 4.009 1.00 0.00 H new ATOM 1130 N SER A 73 3.621 9.082 6.938 1.00 0.00 N ATOM 1131 CA SER A 73 4.189 7.985 7.702 1.00 0.00 C ATOM 1132 C SER A 73 3.752 6.647 7.101 1.00 0.00 C ATOM 1133 O SER A 73 4.572 5.909 6.558 1.00 0.00 O ATOM 1134 CB SER A 73 3.778 8.065 9.173 1.00 0.00 C ATOM 1135 OG SER A 73 4.061 6.857 9.874 1.00 0.00 O ATOM 0 H SER A 73 3.038 9.721 7.479 1.00 0.00 H new ATOM 0 HA SER A 73 5.275 8.062 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.302 8.893 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.712 8.282 9.240 1.00 0.00 H new ATOM 0 HG SER A 73 3.785 6.950 10.810 1.00 0.00 H new ATOM 1141 N LEU A 74 2.460 6.377 7.218 1.00 0.00 N ATOM 1142 CA LEU A 74 1.904 5.141 6.693 1.00 0.00 C ATOM 1143 C LEU A 74 2.455 4.896 5.287 1.00 0.00 C ATOM 1144 O LEU A 74 2.740 3.757 4.919 1.00 0.00 O ATOM 1145 CB LEU A 74 0.375 5.172 6.757 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.273 4.221 7.765 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -1.797 4.347 7.736 1.00 0.00 C ATOM 1148 CD2 LEU A 74 0.187 2.780 7.533 1.00 0.00 C ATOM 0 H LEU A 74 1.783 6.992 7.668 1.00 0.00 H new ATOM 0 HA LEU A 74 2.209 4.294 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.061 6.189 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.015 4.940 5.766 1.00 0.00 H new ATOM 0 HG LEU A 74 0.055 4.507 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.233 3.660 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.082 5.369 7.986 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.163 4.102 6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.288 2.124 8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.092 2.466 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.270 2.721 7.644 1.00 0.00 H new ATOM 1160 N ALA A 75 2.589 5.982 4.540 1.00 0.00 N ATOM 1161 CA ALA A 75 3.102 5.898 3.183 1.00 0.00 C ATOM 1162 C ALA A 75 4.529 5.348 3.214 1.00 0.00 C ATOM 1163 O ALA A 75 4.891 4.506 2.394 1.00 0.00 O ATOM 1164 CB ALA A 75 3.022 7.276 2.522 1.00 0.00 C ATOM 0 H ALA A 75 2.351 6.925 4.849 1.00 0.00 H new ATOM 0 HA ALA A 75 2.499 5.214 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.407 7.214 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.984 7.608 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.618 7.988 3.092 1.00 0.00 H new ATOM 1170 N LYS A 76 5.300 5.846 4.170 1.00 0.00 N ATOM 1171 CA LYS A 76 6.680 5.414 4.318 1.00 0.00 C ATOM 1172 C LYS A 76 6.710 3.917 4.630 1.00 0.00 C ATOM 1173 O LYS A 76 7.421 3.157 3.974 1.00 0.00 O ATOM 1174 CB LYS A 76 7.401 6.274 5.359 1.00 0.00 C ATOM 1175 CG LYS A 76 7.656 7.684 4.823 1.00 0.00 C ATOM 1176 CD LYS A 76 7.838 8.681 5.969 1.00 0.00 C ATOM 1177 CE LYS A 76 9.245 9.282 5.955 1.00 0.00 C ATOM 1178 NZ LYS A 76 10.146 8.513 6.842 1.00 0.00 N ATOM 0 H LYS A 76 4.996 6.544 4.849 1.00 0.00 H new ATOM 0 HA LYS A 76 7.227 5.557 3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.802 6.329 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.348 5.807 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.545 7.682 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.821 7.995 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.098 9.477 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.661 8.182 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.638 9.280 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.206 10.322 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.097 8.934 6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.779 8.536 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.197 7.527 6.515 1.00 0.00 H new ATOM 1192 N VAL A 77 5.931 3.537 5.632 1.00 0.00 N ATOM 1193 CA VAL A 77 5.860 2.144 6.038 1.00 0.00 C ATOM 1194 C VAL A 77 5.537 1.277 4.820 1.00 0.00 C ATOM 1195 O VAL A 77 6.135 0.219 4.631 1.00 0.00 O ATOM 1196 CB VAL A 77 4.846 1.981 7.173 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.500 0.507 7.391 1.00 0.00 C ATOM 1198 CG2 VAL A 77 5.360 2.621 8.464 1.00 0.00 C ATOM 0 H VAL A 77 5.343 4.170 6.175 1.00 0.00 H new ATOM 0 HA VAL A 77 6.822 1.811 6.428 1.00 0.00 H new ATOM 0 HB VAL A 77 3.932 2.500 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.778 0.419 8.203 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.071 0.095 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.404 -0.045 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.620 2.491 9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.294 2.144 8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.532 3.685 8.299 1.00 0.00 H new ATOM 1208 N LEU A 78 4.593 1.759 4.024 1.00 0.00 N ATOM 1209 CA LEU A 78 4.185 1.041 2.829 1.00 0.00 C ATOM 1210 C LEU A 78 5.397 0.847 1.916 1.00 0.00 C ATOM 1211 O LEU A 78 5.527 -0.187 1.262 1.00 0.00 O ATOM 1212 CB LEU A 78 3.013 1.753 2.151 1.00 0.00 C ATOM 1213 CG LEU A 78 1.658 1.635 2.853 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.667 2.666 2.310 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.113 0.208 2.755 1.00 0.00 C ATOM 0 H LEU A 78 4.100 2.637 4.184 1.00 0.00 H new ATOM 0 HA LEU A 78 3.819 0.048 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.261 2.810 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.911 1.360 1.140 1.00 0.00 H new ATOM 0 HG LEU A 78 1.801 1.853 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.287 2.560 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.059 3.670 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.522 2.504 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.150 0.151 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.988 -0.063 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.813 -0.482 3.227 1.00 0.00 H new ATOM 1227 N ILE A 79 6.254 1.857 1.901 1.00 0.00 N ATOM 1228 CA ILE A 79 7.452 1.810 1.079 1.00 0.00 C ATOM 1229 C ILE A 79 8.454 0.835 1.701 1.00 0.00 C ATOM 1230 O ILE A 79 8.962 -0.056 1.022 1.00 0.00 O ATOM 1231 CB ILE A 79 8.013 3.218 0.869 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.451 3.847 -0.407 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.543 3.205 0.877 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.967 4.184 -0.245 1.00 0.00 C ATOM 0 H ILE A 79 6.143 2.713 2.445 1.00 0.00 H new ATOM 0 HA ILE A 79 7.217 1.434 0.083 1.00 0.00 H new ATOM 0 HB ILE A 79 7.692 3.842 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 79 8.009 4.752 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.582 3.161 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.916 4.218 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.899 2.826 1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.906 2.561 0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.592 4.630 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.408 3.273 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.842 4.889 0.576 1.00 0.00 H new ATOM 1246 N LYS A 80 8.708 1.037 2.986 1.00 0.00 N ATOM 1247 CA LYS A 80 9.640 0.187 3.706 1.00 0.00 C ATOM 1248 C LYS A 80 9.188 -1.271 3.592 1.00 0.00 C ATOM 1249 O LYS A 80 9.902 -2.104 3.035 1.00 0.00 O ATOM 1250 CB LYS A 80 9.800 0.669 5.149 1.00 0.00 C ATOM 1251 CG LYS A 80 11.067 0.092 5.784 1.00 0.00 C ATOM 1252 CD LYS A 80 11.009 0.188 7.310 1.00 0.00 C ATOM 1253 CE LYS A 80 11.351 -1.156 7.957 1.00 0.00 C ATOM 1254 NZ LYS A 80 12.722 -1.129 8.514 1.00 0.00 N ATOM 0 H LYS A 80 8.285 1.777 3.546 1.00 0.00 H new ATOM 0 HA LYS A 80 10.633 0.249 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.842 1.758 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.929 0.373 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.185 -0.950 5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.940 0.630 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.706 0.951 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.013 0.502 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.635 -1.378 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.268 -1.953 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.938 -2.049 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.403 -0.938 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.790 -0.381 9.233 1.00 0.00 H new ATOM 1268 N ASN A 81 8.006 -1.534 4.128 1.00 0.00 N ATOM 1269 CA ASN A 81 7.450 -2.876 4.093 1.00 0.00 C ATOM 1270 C ASN A 81 7.597 -3.448 2.682 1.00 0.00 C ATOM 1271 O ASN A 81 8.116 -4.549 2.505 1.00 0.00 O ATOM 1272 CB ASN A 81 5.961 -2.865 4.445 1.00 0.00 C ATOM 1273 CG ASN A 81 5.749 -2.503 5.917 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.658 -2.096 6.620 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.500 -2.674 6.341 1.00 0.00 N ATOM 0 H ASN A 81 7.417 -0.840 4.589 1.00 0.00 H new ATOM 0 HA ASN A 81 7.989 -3.483 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.439 -2.148 3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.528 -3.844 4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.256 -2.460 7.308 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.786 -3.019 5.699 1.00 0.00 H new ATOM 1282 N TRP A 82 7.131 -2.674 1.712 1.00 0.00 N ATOM 1283 CA TRP A 82 7.205 -3.089 0.322 1.00 0.00 C ATOM 1284 C TRP A 82 8.681 -3.251 -0.046 1.00 0.00 C ATOM 1285 O TRP A 82 9.027 -4.070 -0.896 1.00 0.00 O ATOM 1286 CB TRP A 82 6.468 -2.102 -0.585 1.00 0.00 C ATOM 1287 CG TRP A 82 4.949 -2.100 -0.399 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.195 -3.009 0.234 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.025 -1.101 -0.879 1.00 0.00 C ATOM 1290 NE1 TRP A 82 2.858 -2.670 0.197 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.751 -1.473 -0.501 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.259 0.079 -1.607 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.611 -0.721 -0.807 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.108 0.819 -1.905 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.819 0.458 -1.532 1.00 0.00 C ATOM 0 H TRP A 82 6.701 -1.761 1.862 1.00 0.00 H new ATOM 0 HA TRP A 82 6.704 -4.046 0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.848 -1.098 -0.397 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.696 -2.339 -1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.585 -3.895 0.713 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.089 -3.201 0.607 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.247 0.390 -1.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.624 -1.034 -0.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.231 1.735 -2.464 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.981 1.085 -1.800 1.00 0.00 H new ATOM 1306 N LYS A 83 9.513 -2.458 0.614 1.00 0.00 N ATOM 1307 CA LYS A 83 10.944 -2.503 0.367 1.00 0.00 C ATOM 1308 C LYS A 83 11.445 -3.936 0.554 1.00 0.00 C ATOM 1309 O LYS A 83 12.371 -4.368 -0.130 1.00 0.00 O ATOM 1310 CB LYS A 83 11.671 -1.479 1.241 1.00 0.00 C ATOM 1311 CG LYS A 83 12.885 -0.899 0.512 1.00 0.00 C ATOM 1312 CD LYS A 83 14.189 -1.432 1.109 1.00 0.00 C ATOM 1313 CE LYS A 83 15.003 -2.190 0.059 1.00 0.00 C ATOM 1314 NZ LYS A 83 16.096 -2.954 0.703 1.00 0.00 N ATOM 0 H LYS A 83 9.223 -1.781 1.319 1.00 0.00 H new ATOM 0 HA LYS A 83 11.161 -2.221 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.986 -0.675 1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.991 -1.951 2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.834 -1.154 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.868 0.189 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.778 -0.604 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.966 -2.092 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.353 -2.869 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.419 -1.488 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.245 -3.846 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.971 -2.392 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.840 -3.161 1.690 1.00 0.00 H new ATOM 1328 N ARG A 84 10.809 -4.634 1.484 1.00 0.00 N ATOM 1329 CA ARG A 84 11.179 -6.010 1.770 1.00 0.00 C ATOM 1330 C ARG A 84 10.459 -6.963 0.813 1.00 0.00 C ATOM 1331 O ARG A 84 11.017 -7.981 0.408 1.00 0.00 O ATOM 1332 CB ARG A 84 10.830 -6.386 3.212 1.00 0.00 C ATOM 1333 CG ARG A 84 11.598 -5.514 4.207 1.00 0.00 C ATOM 1334 CD ARG A 84 10.639 -4.698 5.076 1.00 0.00 C ATOM 1335 NE ARG A 84 10.680 -5.188 6.472 1.00 0.00 N ATOM 1336 CZ ARG A 84 9.944 -6.208 6.933 1.00 0.00 C ATOM 1337 NH1 ARG A 84 9.105 -6.853 6.111 1.00 0.00 N ATOM 1338 NH2 ARG A 84 10.046 -6.583 8.215 1.00 0.00 N ATOM 0 H ARG A 84 10.040 -4.273 2.049 1.00 0.00 H new ATOM 0 HA ARG A 84 12.257 -6.099 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.758 -6.270 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.066 -7.436 3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.223 -6.143 4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.266 -4.843 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.914 -3.644 5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.625 -4.775 4.684 1.00 0.00 H new ATOM 0 HE ARG A 84 11.309 -4.719 7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.027 -6.567 5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.544 -7.630 6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.684 -6.092 8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.485 -7.360 8.565 1.00 0.00 H new ATOM 1352 N LEU A 85 9.229 -6.598 0.480 1.00 0.00 N ATOM 1353 CA LEU A 85 8.427 -7.407 -0.422 1.00 0.00 C ATOM 1354 C LEU A 85 9.086 -7.430 -1.803 1.00 0.00 C ATOM 1355 O LEU A 85 9.357 -8.499 -2.347 1.00 0.00 O ATOM 1356 CB LEU A 85 6.979 -6.914 -0.440 1.00 0.00 C ATOM 1357 CG LEU A 85 6.151 -7.219 0.810 1.00 0.00 C ATOM 1358 CD1 LEU A 85 4.960 -6.266 0.925 1.00 0.00 C ATOM 1359 CD2 LEU A 85 5.716 -8.686 0.835 1.00 0.00 C ATOM 0 H LEU A 85 8.769 -5.753 0.819 1.00 0.00 H new ATOM 0 HA LEU A 85 8.384 -8.438 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.985 -5.835 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.477 -7.355 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 85 6.780 -7.055 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.388 -6.505 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.320 -5.239 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.321 -6.374 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.129 -8.876 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.111 -8.901 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.598 -9.327 0.835 1.00 0.00 H new ATOM 1371 N LEU A 86 9.324 -6.238 -2.329 1.00 0.00 N ATOM 1372 CA LEU A 86 9.946 -6.108 -3.636 1.00 0.00 C ATOM 1373 C LEU A 86 11.466 -6.204 -3.485 1.00 0.00 C ATOM 1374 O LEU A 86 12.110 -7.010 -4.155 1.00 0.00 O ATOM 1375 CB LEU A 86 9.477 -4.826 -4.327 1.00 0.00 C ATOM 1376 CG LEU A 86 10.580 -3.905 -4.853 1.00 0.00 C ATOM 1377 CD1 LEU A 86 11.281 -4.525 -6.064 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.030 -2.511 -5.161 1.00 0.00 C ATOM 0 H LEU A 86 9.098 -5.353 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 86 9.638 -6.926 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.833 -5.102 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.864 -4.261 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 86 11.330 -3.789 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.060 -3.850 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.728 -5.477 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.555 -4.690 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.834 -1.877 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.249 -2.587 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.615 -2.075 -4.253 1.00 0.00 H new ATOM 1390 N ASP A 87 11.994 -5.371 -2.601 1.00 0.00 N ATOM 1391 CA ASP A 87 13.426 -5.352 -2.353 1.00 0.00 C ATOM 1392 C ASP A 87 14.170 -5.561 -3.673 1.00 0.00 C ATOM 1393 O ASP A 87 14.935 -6.514 -3.815 1.00 0.00 O ATOM 1394 CB ASP A 87 13.834 -6.475 -1.397 1.00 0.00 C ATOM 1395 CG ASP A 87 15.340 -6.606 -1.159 1.00 0.00 C ATOM 1396 OD1 ASP A 87 16.039 -5.591 -1.373 1.00 0.00 O ATOM 1397 OD2 ASP A 87 15.758 -7.717 -0.769 1.00 0.00 O ATOM 0 H ASP A 87 11.456 -4.704 -2.047 1.00 0.00 H new ATOM 0 HA ASP A 87 13.679 -4.390 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.343 -6.312 -0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.460 -7.420 -1.790 1.00 0.00 H new ATOM 1402 N SER A 88 13.921 -4.654 -4.606 1.00 0.00 N ATOM 1403 CA SER A 88 14.558 -4.727 -5.910 1.00 0.00 C ATOM 1404 C SER A 88 16.009 -5.188 -5.759 1.00 0.00 C ATOM 1405 O SER A 88 16.611 -5.016 -4.700 1.00 0.00 O ATOM 1406 CB SER A 88 14.501 -3.377 -6.627 1.00 0.00 C ATOM 1407 OG SER A 88 15.792 -2.785 -6.754 1.00 0.00 O ATOM 0 H SER A 88 13.287 -3.864 -4.485 1.00 0.00 H new ATOM 0 HA SER A 88 14.015 -5.452 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.064 -3.510 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.845 -2.702 -6.077 1.00 0.00 H new ATOM 0 HG SER A 88 15.714 -1.926 -7.218 1.00 0.00 H new ATOM 1413 N PRO A 89 16.542 -5.779 -6.861 1.00 0.00 N ATOM 1414 CA PRO A 89 17.912 -6.266 -6.861 1.00 0.00 C ATOM 1415 C PRO A 89 18.905 -5.106 -6.959 1.00 0.00 C ATOM 1416 O PRO A 89 19.056 -4.501 -8.020 1.00 0.00 O ATOM 1417 CB PRO A 89 17.991 -7.218 -8.043 1.00 0.00 C ATOM 1418 CG PRO A 89 16.807 -6.877 -8.933 1.00 0.00 C ATOM 1419 CD PRO A 89 15.859 -6.000 -8.132 1.00 0.00 C ATOM 0 HA PRO A 89 18.177 -6.779 -5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 89 18.931 -7.096 -8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 89 17.945 -8.256 -7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 89 17.142 -6.357 -9.831 1.00 0.00 H new ATOM 0 HG3 PRO A 89 16.302 -7.785 -9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 89 15.662 -5.058 -8.645 1.00 0.00 H new ATOM 0 HD3 PRO A 89 14.896 -6.490 -7.984 1.00 0.00 H new ATOM 1427 N ARG A 90 19.558 -4.832 -5.840 1.00 0.00 N ATOM 1428 CA ARG A 90 20.533 -3.756 -5.786 1.00 0.00 C ATOM 1429 C ARG A 90 21.623 -4.077 -4.762 1.00 0.00 C ATOM 1430 O ARG A 90 21.414 -4.891 -3.863 1.00 0.00 O ATOM 1431 CB ARG A 90 19.869 -2.428 -5.415 1.00 0.00 C ATOM 1432 CG ARG A 90 20.328 -1.306 -6.348 1.00 0.00 C ATOM 1433 CD ARG A 90 21.066 -0.214 -5.570 1.00 0.00 C ATOM 1434 NE ARG A 90 21.236 0.986 -6.420 1.00 0.00 N ATOM 1435 CZ ARG A 90 21.993 2.040 -6.088 1.00 0.00 C ATOM 1436 NH1 ARG A 90 22.654 2.050 -4.922 1.00 0.00 N ATOM 1437 NH2 ARG A 90 22.088 3.085 -6.921 1.00 0.00 N ATOM 0 H ARG A 90 19.431 -5.337 -4.963 1.00 0.00 H new ATOM 0 HA ARG A 90 20.977 -3.662 -6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.785 -2.531 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 90 20.113 -2.171 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 90 20.982 -1.714 -7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 90 19.466 -0.875 -6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.507 0.044 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 90 22.040 -0.581 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 90 20.746 1.012 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 90 22.581 1.255 -4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 90 23.230 2.853 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 90 21.584 3.078 -7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 90 22.664 3.888 -6.668 1.00 0.00 H new ATOM 1451 N THR A 91 22.762 -3.422 -4.931 1.00 0.00 N ATOM 1452 CA THR A 91 23.885 -3.628 -4.033 1.00 0.00 C ATOM 1453 C THR A 91 23.786 -2.686 -2.831 1.00 0.00 C ATOM 1454 O THR A 91 23.389 -1.531 -2.974 1.00 0.00 O ATOM 1455 CB THR A 91 25.174 -3.452 -4.838 1.00 0.00 C ATOM 1456 OG1 THR A 91 26.211 -3.696 -3.892 1.00 0.00 O ATOM 1457 CG2 THR A 91 25.399 -2.002 -5.272 1.00 0.00 C ATOM 0 H THR A 91 22.931 -2.748 -5.677 1.00 0.00 H new ATOM 0 HA THR A 91 23.880 -4.636 -3.618 1.00 0.00 H new ATOM 0 HB THR A 91 25.143 -4.094 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 91 27.082 -3.604 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 91 26.327 -1.932 -5.840 1.00 0.00 H new ATOM 0 HG22 THR A 91 24.567 -1.675 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 91 25.464 -1.364 -4.390 1.00 0.00 H new ATOM 1465 N THR A 92 24.153 -3.215 -1.673 1.00 0.00 N ATOM 1466 CA THR A 92 24.111 -2.436 -0.447 1.00 0.00 C ATOM 1467 C THR A 92 25.077 -3.017 0.587 1.00 0.00 C ATOM 1468 O THR A 92 25.501 -4.165 0.470 1.00 0.00 O ATOM 1469 CB THR A 92 22.659 -2.392 0.034 1.00 0.00 C ATOM 1470 OG1 THR A 92 22.766 -2.184 1.440 1.00 0.00 O ATOM 1471 CG2 THR A 92 21.959 -3.746 -0.090 1.00 0.00 C ATOM 0 H THR A 92 24.481 -4.174 -1.558 1.00 0.00 H new ATOM 0 HA THR A 92 24.444 -1.412 -0.616 1.00 0.00 H new ATOM 0 HB THR A 92 22.109 -1.646 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 92 21.869 -2.141 1.833 1.00 0.00 H new ATOM 0 HG21 THR A 92 20.932 -3.659 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.957 -4.060 -1.134 1.00 0.00 H new ATOM 0 HG23 THR A 92 22.489 -4.486 0.510 1.00 0.00 H new ATOM 1479 N LYS A 93 25.396 -2.196 1.577 1.00 0.00 N ATOM 1480 CA LYS A 93 26.304 -2.614 2.632 1.00 0.00 C ATOM 1481 C LYS A 93 25.725 -2.207 3.989 1.00 0.00 C ATOM 1482 O LYS A 93 24.909 -1.291 4.069 1.00 0.00 O ATOM 1483 CB LYS A 93 27.710 -2.069 2.375 1.00 0.00 C ATOM 1484 CG LYS A 93 28.417 -2.869 1.279 1.00 0.00 C ATOM 1485 CD LYS A 93 28.341 -2.143 -0.065 1.00 0.00 C ATOM 1486 CE LYS A 93 29.537 -2.500 -0.950 1.00 0.00 C ATOM 1487 NZ LYS A 93 30.744 -1.765 -0.512 1.00 0.00 N ATOM 0 H LYS A 93 25.042 -1.244 1.671 1.00 0.00 H new ATOM 0 HA LYS A 93 26.404 -3.699 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 93 27.650 -1.021 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 93 28.294 -2.111 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 93 29.460 -3.025 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 93 27.960 -3.854 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 93 27.415 -2.409 -0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 93 28.315 -1.066 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 93 29.722 -3.573 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 93 29.313 -2.257 -1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 31.493 -1.871 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 30.514 -0.757 -0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 31.074 -2.150 0.396 1.00 0.00 H new ATOM 1501 N GLY A 94 26.170 -2.909 5.021 1.00 0.00 N ATOM 1502 CA GLY A 94 25.707 -2.632 6.370 1.00 0.00 C ATOM 1503 C GLY A 94 25.721 -3.900 7.225 1.00 0.00 C ATOM 1504 O GLY A 94 25.067 -4.887 6.890 1.00 0.00 O ATOM 0 H GLY A 94 26.846 -3.669 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 94 26.342 -1.873 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 94 24.697 -2.224 6.335 1.00 0.00 H new ATOM 1508 N GLU A 95 26.474 -3.833 8.313 1.00 0.00 N ATOM 1509 CA GLU A 95 26.582 -4.964 9.220 1.00 0.00 C ATOM 1510 C GLU A 95 26.869 -4.478 10.642 1.00 0.00 C ATOM 1511 O GLU A 95 27.558 -3.478 10.833 1.00 0.00 O ATOM 1512 CB GLU A 95 27.657 -5.944 8.747 1.00 0.00 C ATOM 1513 CG GLU A 95 27.622 -7.234 9.569 1.00 0.00 C ATOM 1514 CD GLU A 95 28.991 -7.918 9.574 1.00 0.00 C ATOM 1515 OE1 GLU A 95 29.309 -8.560 8.550 1.00 0.00 O ATOM 1516 OE2 GLU A 95 29.689 -7.784 10.603 1.00 0.00 O ATOM 0 H GLU A 95 27.015 -3.013 8.587 1.00 0.00 H new ATOM 0 HA GLU A 95 25.630 -5.495 9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 95 27.504 -6.176 7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 95 28.640 -5.481 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 95 27.320 -7.010 10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 95 26.874 -7.912 9.157 1.00 0.00 H new ATOM 1523 N ARG A 96 26.326 -5.210 11.604 1.00 0.00 N ATOM 1524 CA ARG A 96 26.514 -4.867 13.003 1.00 0.00 C ATOM 1525 C ARG A 96 26.868 -6.116 13.813 1.00 0.00 C ATOM 1526 O ARG A 96 25.981 -6.835 14.270 1.00 0.00 O ATOM 1527 CB ARG A 96 25.253 -4.228 13.588 1.00 0.00 C ATOM 1528 CG ARG A 96 25.481 -2.746 13.894 1.00 0.00 C ATOM 1529 CD ARG A 96 26.182 -2.566 15.242 1.00 0.00 C ATOM 1530 NE ARG A 96 27.646 -2.483 15.044 1.00 0.00 N ATOM 1531 CZ ARG A 96 28.276 -1.419 14.528 1.00 0.00 C ATOM 1532 NH1 ARG A 96 27.573 -0.340 14.155 1.00 0.00 N ATOM 1533 NH2 ARG A 96 29.608 -1.432 14.385 1.00 0.00 N ATOM 0 H ARG A 96 25.755 -6.040 11.442 1.00 0.00 H new ATOM 0 HA ARG A 96 27.332 -4.149 13.061 1.00 0.00 H new ATOM 0 HB2 ARG A 96 24.427 -4.335 12.885 1.00 0.00 H new ATOM 0 HB3 ARG A 96 24.965 -4.751 14.500 1.00 0.00 H new ATOM 0 HG2 ARG A 96 26.083 -2.296 13.104 1.00 0.00 H new ATOM 0 HG3 ARG A 96 24.525 -2.222 13.904 1.00 0.00 H new ATOM 0 HD2 ARG A 96 25.821 -1.661 15.731 1.00 0.00 H new ATOM 0 HD3 ARG A 96 25.943 -3.401 15.900 1.00 0.00 H new ATOM 0 HE ARG A 96 28.211 -3.287 15.318 1.00 0.00 H new ATOM 0 HH11 ARG A 96 26.559 -0.329 14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 96 28.052 0.470 13.762 1.00 0.00 H new ATOM 0 HH21 ARG A 96 30.143 -2.252 14.669 1.00 0.00 H new ATOM 0 HH22 ARG A 96 30.087 -0.622 13.992 1.00 0.00 H new ATOM 1547 N GLU A 97 28.165 -6.336 13.965 1.00 0.00 N ATOM 1548 CA GLU A 97 28.647 -7.485 14.712 1.00 0.00 C ATOM 1549 C GLU A 97 27.994 -8.768 14.192 1.00 0.00 C ATOM 1550 O GLU A 97 26.841 -9.054 14.512 1.00 0.00 O ATOM 1551 CB GLU A 97 28.395 -7.310 16.211 1.00 0.00 C ATOM 1552 CG GLU A 97 29.603 -7.773 17.028 1.00 0.00 C ATOM 1553 CD GLU A 97 29.423 -9.216 17.504 1.00 0.00 C ATOM 1554 OE1 GLU A 97 28.431 -9.456 18.225 1.00 0.00 O ATOM 1555 OE2 GLU A 97 30.281 -10.046 17.136 1.00 0.00 O ATOM 0 H GLU A 97 28.898 -5.738 13.583 1.00 0.00 H new ATOM 0 HA GLU A 97 29.724 -7.563 14.565 1.00 0.00 H new ATOM 0 HB2 GLU A 97 28.184 -6.263 16.428 1.00 0.00 H new ATOM 0 HB3 GLU A 97 27.513 -7.880 16.504 1.00 0.00 H new ATOM 0 HG2 GLU A 97 30.507 -7.696 16.423 1.00 0.00 H new ATOM 0 HG3 GLU A 97 29.738 -7.117 17.888 1.00 0.00 H new ATOM 1562 N SER A 98 28.759 -9.505 13.400 1.00 0.00 N ATOM 1563 CA SER A 98 28.268 -10.749 12.834 1.00 0.00 C ATOM 1564 C SER A 98 28.841 -11.938 13.608 1.00 0.00 C ATOM 1565 O SER A 98 29.909 -12.447 13.271 1.00 0.00 O ATOM 1566 CB SER A 98 28.629 -10.859 11.351 1.00 0.00 C ATOM 1567 OG SER A 98 27.785 -11.778 10.663 1.00 0.00 O ATOM 0 H SER A 98 29.715 -9.264 13.137 1.00 0.00 H new ATOM 0 HA SER A 98 27.181 -10.758 12.918 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.551 -9.877 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.667 -11.177 11.253 1.00 0.00 H new ATOM 0 HG SER A 98 28.046 -11.819 9.719 1.00 0.00 H new ATOM 1573 N GLY A 99 28.105 -12.347 14.631 1.00 0.00 N ATOM 1574 CA GLY A 99 28.526 -13.467 15.456 1.00 0.00 C ATOM 1575 C GLY A 99 27.436 -13.849 16.459 1.00 0.00 C ATOM 1576 O GLY A 99 27.320 -13.237 17.519 1.00 0.00 O ATOM 0 H GLY A 99 27.220 -11.923 14.907 1.00 0.00 H new ATOM 0 HA2 GLY A 99 28.758 -14.323 14.822 1.00 0.00 H new ATOM 0 HA3 GLY A 99 29.441 -13.207 15.989 1.00 0.00 H new ATOM 1580 N PRO A 100 26.643 -14.887 16.079 1.00 0.00 N ATOM 1581 CA PRO A 100 25.567 -15.359 16.933 1.00 0.00 C ATOM 1582 C PRO A 100 26.115 -16.164 18.112 1.00 0.00 C ATOM 1583 O PRO A 100 27.067 -16.928 17.958 1.00 0.00 O ATOM 1584 CB PRO A 100 24.670 -16.178 16.019 1.00 0.00 C ATOM 1585 CG PRO A 100 25.516 -16.522 14.804 1.00 0.00 C ATOM 1586 CD PRO A 100 26.751 -15.636 14.830 1.00 0.00 C ATOM 0 HA PRO A 100 25.007 -14.545 17.393 1.00 0.00 H new ATOM 0 HB2 PRO A 100 24.321 -17.081 16.521 1.00 0.00 H new ATOM 0 HB3 PRO A 100 23.785 -15.611 15.731 1.00 0.00 H new ATOM 0 HG2 PRO A 100 25.800 -17.574 14.822 1.00 0.00 H new ATOM 0 HG3 PRO A 100 24.950 -16.361 13.887 1.00 0.00 H new ATOM 0 HD2 PRO A 100 27.665 -16.229 14.802 1.00 0.00 H new ATOM 0 HD3 PRO A 100 26.778 -14.968 13.969 1.00 0.00 H new ATOM 1594 N SER A 101 25.491 -15.966 19.264 1.00 0.00 N ATOM 1595 CA SER A 101 25.905 -16.665 20.469 1.00 0.00 C ATOM 1596 C SER A 101 27.395 -16.432 20.723 1.00 0.00 C ATOM 1597 O SER A 101 28.236 -17.192 20.244 1.00 0.00 O ATOM 1598 CB SER A 101 25.611 -18.163 20.366 1.00 0.00 C ATOM 1599 OG SER A 101 24.275 -18.473 20.751 1.00 0.00 O ATOM 0 H SER A 101 24.702 -15.332 19.389 1.00 0.00 H new ATOM 0 HA SER A 101 25.334 -16.268 21.308 1.00 0.00 H new ATOM 0 HB2 SER A 101 25.779 -18.496 19.342 1.00 0.00 H new ATOM 0 HB3 SER A 101 26.307 -18.713 20.999 1.00 0.00 H new ATOM 0 HG SER A 101 24.127 -19.438 20.670 1.00 0.00 H new ATOM 1605 N SER A 102 27.678 -15.379 21.476 1.00 0.00 N ATOM 1606 CA SER A 102 29.052 -15.037 21.799 1.00 0.00 C ATOM 1607 C SER A 102 29.207 -14.863 23.312 1.00 0.00 C ATOM 1608 O SER A 102 29.196 -13.741 23.815 1.00 0.00 O ATOM 1609 CB SER A 102 29.489 -13.765 21.071 1.00 0.00 C ATOM 1610 OG SER A 102 30.717 -13.945 20.371 1.00 0.00 O ATOM 0 H SER A 102 26.978 -14.751 21.872 1.00 0.00 H new ATOM 0 HA SER A 102 29.694 -15.852 21.466 1.00 0.00 H new ATOM 0 HB2 SER A 102 28.712 -13.465 20.368 1.00 0.00 H new ATOM 0 HB3 SER A 102 29.598 -12.954 21.791 1.00 0.00 H new ATOM 0 HG SER A 102 30.961 -13.111 19.918 1.00 0.00 H new ATOM 1616 N GLY A 103 29.346 -15.990 23.994 1.00 0.00 N ATOM 1617 CA GLY A 103 29.502 -15.976 25.438 1.00 0.00 C ATOM 1618 C GLY A 103 29.175 -17.345 26.039 1.00 0.00 C ATOM 1619 O GLY A 103 28.117 -17.526 26.640 1.00 0.00 O ATOM 0 H GLY A 103 29.354 -16.919 23.573 1.00 0.00 H new ATOM 0 HA2 GLY A 103 30.524 -15.697 25.694 1.00 0.00 H new ATOM 0 HA3 GLY A 103 28.847 -15.219 25.871 1.00 0.00 H new TER 1623 GLY A 103