USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 hydrogens (15 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 NoAdj-H: A 35 LYS HZ1 : A 35 LYS NZ : A 135 BTI C11 :(NH2R) USER MOD NoAdj-H: A 35 LYS HZ2 : A 35 LYS NZ : A 135 BTI C11 :(NH2R) USER MOD NoAdj-H: A 135 BTI H11 : A 135 BTI C11 : A 35 LYS NZ :(H bumps) USER MOD Set 1.1: A 49 LYS NZ :NH3+ 175:sc= 2.13 (180deg=1.16) USER MOD Set 1.2: A 72 THR OG1 : rot 130:sc= 0.86 USER MOD Set 2.1: A 7 MET CE :methyl -120:sc= -0.0173 (180deg=-0.228) USER MOD Set 2.2: A 33 SER OG : rot -89:sc= 1.23 USER MOD Set 2.3: A 36 MET CE :methyl -174:sc= 0 (180deg=-0.0324) USER MOD Set 3.1: A 2 THR OG1 : rot -157:sc= 1.13 USER MOD Set 3.2: A 71 SER OG : rot 92:sc= 2.41 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.63! C(o=-2.6!,f=-2.5!) USER MOD Single : A 10 ASN : amide:sc= 0.775 K(o=0.78,f=-0.0009) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.259 X(o=-0.26,f=-0.56) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 1.31 (180deg=1.13) USER MOD Single : A 26 GLN : amide:sc= 0.904 K(o=0.9,f=-0.28) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.533 USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.16) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 2.13 (180deg=1.88) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.451 X(o=0.45,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.894 K(o=0.89,f=-5.5!) USER MOD Single : A 73 GLN : amide:sc= 0.802 K(o=0.8,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 2 1.536 -1.632 4.075 1.00 0.00 N ATOM 2 CA THR A 2 0.618 -1.712 5.233 1.00 0.00 C ATOM 3 C THR A 2 0.347 -3.176 5.604 1.00 0.00 C ATOM 4 O THR A 2 0.908 -3.651 6.594 1.00 0.00 O ATOM 5 CB THR A 2 -0.656 -0.875 5.002 1.00 0.00 C ATOM 6 OG1 THR A 2 -0.288 0.360 4.426 1.00 0.00 O ATOM 7 CG2 THR A 2 -1.429 -0.605 6.295 1.00 0.00 C ATOM 0 HA THR A 2 1.099 -1.263 6.102 1.00 0.00 H new ATOM 0 HB THR A 2 -1.310 -1.446 4.343 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.988 1.023 4.599 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.316 -0.012 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.729 -1.552 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.793 -0.059 6.992 1.00 0.00 H new ATOM 17 N VAL A 3 -0.480 -3.909 4.843 1.00 0.00 N ATOM 18 CA VAL A 3 -0.604 -5.355 5.022 1.00 0.00 C ATOM 19 C VAL A 3 0.597 -5.971 4.292 1.00 0.00 C ATOM 20 O VAL A 3 0.981 -5.495 3.216 1.00 0.00 O ATOM 21 CB VAL A 3 -1.961 -5.887 4.499 1.00 0.00 C ATOM 22 CG1 VAL A 3 -2.264 -7.286 5.055 1.00 0.00 C ATOM 23 CG2 VAL A 3 -3.147 -4.981 4.880 1.00 0.00 C ATOM 0 H VAL A 3 -1.067 -3.523 4.104 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.594 -5.630 6.077 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.857 -5.911 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.223 -7.631 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.479 -7.977 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.305 -7.244 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.070 -5.405 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.215 -4.908 5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.996 -3.987 4.459 1.00 0.00 H new ATOM 33 N SER A 4 1.172 -7.026 4.863 1.00 0.00 N ATOM 34 CA SER A 4 2.376 -7.676 4.371 1.00 0.00 C ATOM 35 C SER A 4 2.252 -9.179 4.613 1.00 0.00 C ATOM 36 O SER A 4 1.461 -9.633 5.447 1.00 0.00 O ATOM 37 CB SER A 4 3.597 -7.117 5.121 1.00 0.00 C ATOM 38 OG SER A 4 3.747 -5.724 4.887 1.00 0.00 O ATOM 0 H SER A 4 0.799 -7.463 5.706 1.00 0.00 H new ATOM 0 HA SER A 4 2.501 -7.488 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.486 -7.299 6.190 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.497 -7.642 4.800 1.00 0.00 H new ATOM 0 HG SER A 4 4.529 -5.392 5.376 1.00 0.00 H new ATOM 44 N ILE A 5 3.034 -9.948 3.868 1.00 0.00 N ATOM 45 CA ILE A 5 3.132 -11.390 3.977 1.00 0.00 C ATOM 46 C ILE A 5 3.958 -11.727 5.229 1.00 0.00 C ATOM 47 O ILE A 5 4.829 -10.959 5.645 1.00 0.00 O ATOM 48 CB ILE A 5 3.731 -11.921 2.651 1.00 0.00 C ATOM 49 CG1 ILE A 5 2.766 -11.666 1.465 1.00 0.00 C ATOM 50 CG2 ILE A 5 4.032 -13.419 2.741 1.00 0.00 C ATOM 51 CD1 ILE A 5 3.155 -10.428 0.648 1.00 0.00 C ATOM 0 H ILE A 5 3.641 -9.565 3.143 1.00 0.00 H new ATOM 0 HA ILE A 5 2.166 -11.878 4.109 1.00 0.00 H new ATOM 0 HB ILE A 5 4.662 -11.381 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.758 -12.540 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.752 -11.542 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.451 -13.763 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.748 -13.599 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.111 -13.963 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.447 -10.295 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.137 -9.548 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.158 -10.560 0.242 1.00 0.00 H new ATOM 63 N GLN A 6 3.701 -12.898 5.819 1.00 0.00 N ATOM 64 CA GLN A 6 4.265 -13.347 7.092 1.00 0.00 C ATOM 65 C GLN A 6 4.795 -14.790 7.011 1.00 0.00 C ATOM 66 O GLN A 6 5.156 -15.369 8.036 1.00 0.00 O ATOM 67 CB GLN A 6 3.232 -13.145 8.223 1.00 0.00 C ATOM 68 CG GLN A 6 2.034 -14.115 8.228 1.00 0.00 C ATOM 69 CD GLN A 6 1.241 -14.079 6.926 1.00 0.00 C ATOM 70 OE1 GLN A 6 1.501 -14.853 6.012 1.00 0.00 O ATOM 71 NE2 GLN A 6 0.341 -13.126 6.763 1.00 0.00 N ATOM 0 H GLN A 6 3.070 -13.584 5.406 1.00 0.00 H new ATOM 0 HA GLN A 6 5.136 -12.734 7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.748 -13.232 9.179 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.849 -12.127 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.394 -15.129 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.373 -13.865 9.058 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.131 -12.486 7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.144 -13.030 5.871 1.00 0.00 H new ATOM 80 N MET A 7 4.862 -15.375 5.810 1.00 0.00 N ATOM 81 CA MET A 7 5.484 -16.673 5.563 1.00 0.00 C ATOM 82 C MET A 7 6.095 -16.679 4.161 1.00 0.00 C ATOM 83 O MET A 7 5.687 -15.910 3.293 1.00 0.00 O ATOM 84 CB MET A 7 4.444 -17.808 5.711 1.00 0.00 C ATOM 85 CG MET A 7 4.871 -18.845 6.761 1.00 0.00 C ATOM 86 SD MET A 7 6.454 -19.680 6.452 1.00 0.00 S ATOM 87 CE MET A 7 5.904 -20.954 5.288 1.00 0.00 C ATOM 0 H MET A 7 4.476 -14.948 4.968 1.00 0.00 H new ATOM 0 HA MET A 7 6.271 -16.843 6.297 1.00 0.00 H new ATOM 0 HB2 MET A 7 3.481 -17.383 5.992 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.306 -18.301 4.749 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.926 -18.350 7.731 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.091 -19.603 6.834 1.00 0.00 H new ATOM 0 HE1 MET A 7 6.116 -21.940 5.701 1.00 0.00 H new ATOM 0 HE2 MET A 7 4.832 -20.854 5.119 1.00 0.00 H new ATOM 0 HE3 MET A 7 6.433 -20.836 4.342 1.00 0.00 H new ATOM 97 N ALA A 8 7.082 -17.541 3.933 1.00 0.00 N ATOM 98 CA ALA A 8 7.608 -17.811 2.608 1.00 0.00 C ATOM 99 C ALA A 8 6.518 -18.489 1.784 1.00 0.00 C ATOM 100 O ALA A 8 5.834 -19.384 2.290 1.00 0.00 O ATOM 101 CB ALA A 8 8.872 -18.661 2.735 1.00 0.00 C ATOM 0 H ALA A 8 7.540 -18.074 4.672 1.00 0.00 H new ATOM 0 HA ALA A 8 7.890 -16.892 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.273 -18.868 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.616 -18.122 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.630 -19.601 3.232 1.00 0.00 H new ATOM 107 N GLY A 9 6.330 -18.070 0.533 1.00 0.00 N ATOM 108 CA GLY A 9 5.245 -18.621 -0.261 1.00 0.00 C ATOM 109 C GLY A 9 5.027 -17.938 -1.600 1.00 0.00 C ATOM 110 O GLY A 9 5.890 -17.236 -2.131 1.00 0.00 O ATOM 0 H GLY A 9 6.901 -17.369 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.442 -19.679 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.323 -18.560 0.317 1.00 0.00 H new ATOM 114 N ASN A 10 3.840 -18.176 -2.147 1.00 0.00 N ATOM 115 CA ASN A 10 3.388 -17.739 -3.454 1.00 0.00 C ATOM 116 C ASN A 10 1.931 -17.337 -3.284 1.00 0.00 C ATOM 117 O ASN A 10 1.170 -18.022 -2.597 1.00 0.00 O ATOM 118 CB ASN A 10 3.490 -18.887 -4.467 1.00 0.00 C ATOM 119 CG ASN A 10 4.931 -19.324 -4.695 1.00 0.00 C ATOM 120 OD1 ASN A 10 5.656 -18.709 -5.471 1.00 0.00 O ATOM 121 ND2 ASN A 10 5.383 -20.371 -4.021 1.00 0.00 N ATOM 0 H ASN A 10 3.126 -18.713 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 10 3.997 -16.914 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.906 -19.736 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.053 -18.573 -5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.348 -20.678 -4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.766 -20.870 -3.380 1.00 0.00 H new ATOM 128 N LEU A 11 1.528 -16.229 -3.898 1.00 0.00 N ATOM 129 CA LEU A 11 0.184 -15.679 -3.766 1.00 0.00 C ATOM 130 C LEU A 11 -0.804 -16.504 -4.582 1.00 0.00 C ATOM 131 O LEU A 11 -1.113 -16.158 -5.718 1.00 0.00 O ATOM 132 CB LEU A 11 0.196 -14.195 -4.166 1.00 0.00 C ATOM 133 CG LEU A 11 0.580 -13.307 -2.973 1.00 0.00 C ATOM 134 CD1 LEU A 11 0.930 -11.915 -3.480 1.00 0.00 C ATOM 135 CD2 LEU A 11 -0.533 -13.176 -1.927 1.00 0.00 C ATOM 0 H LEU A 11 2.134 -15.681 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.145 -15.734 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.902 -14.040 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.787 -13.907 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 11 1.429 -13.787 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.204 -11.279 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.769 -11.980 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.068 -11.487 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.194 -12.536 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.417 -12.737 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.781 -14.162 -1.534 1.00 0.00 H new ATOM 147 N TRP A 12 -1.289 -17.606 -4.012 1.00 0.00 N ATOM 148 CA TRP A 12 -2.291 -18.484 -4.604 1.00 0.00 C ATOM 149 C TRP A 12 -3.462 -17.664 -5.148 1.00 0.00 C ATOM 150 O TRP A 12 -3.811 -17.823 -6.320 1.00 0.00 O ATOM 151 CB TRP A 12 -2.702 -19.505 -3.529 1.00 0.00 C ATOM 152 CG TRP A 12 -3.799 -20.501 -3.775 1.00 0.00 C ATOM 153 CD1 TRP A 12 -4.538 -20.692 -4.893 1.00 0.00 C ATOM 154 CD2 TRP A 12 -4.318 -21.464 -2.810 1.00 0.00 C ATOM 155 NE1 TRP A 12 -5.463 -21.694 -4.683 1.00 0.00 N ATOM 156 CE2 TRP A 12 -5.405 -22.174 -3.397 1.00 0.00 C ATOM 157 CE3 TRP A 12 -3.980 -21.793 -1.484 1.00 0.00 C ATOM 158 CZ2 TRP A 12 -6.151 -23.129 -2.692 1.00 0.00 C ATOM 159 CZ3 TRP A 12 -4.721 -22.745 -0.767 1.00 0.00 C ATOM 160 CH2 TRP A 12 -5.812 -23.405 -1.359 1.00 0.00 C ATOM 0 H TRP A 12 -0.982 -17.921 -3.092 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.895 -19.028 -5.462 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.808 -20.074 -3.274 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.982 -18.937 -2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.421 -20.141 -5.814 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.109 -22.036 -5.394 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.139 -21.306 -1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.973 -23.644 -3.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.450 -22.974 0.253 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.386 -24.121 -0.790 1.00 0.00 H new ATOM 171 N LYS A 13 -4.023 -16.747 -4.349 1.00 0.00 N ATOM 172 CA LYS A 13 -5.074 -15.835 -4.797 1.00 0.00 C ATOM 173 C LYS A 13 -4.926 -14.494 -4.086 1.00 0.00 C ATOM 174 O LYS A 13 -4.263 -14.400 -3.054 1.00 0.00 O ATOM 175 CB LYS A 13 -6.474 -16.437 -4.551 1.00 0.00 C ATOM 176 CG LYS A 13 -6.790 -17.620 -5.484 1.00 0.00 C ATOM 177 CD LYS A 13 -8.238 -18.121 -5.408 1.00 0.00 C ATOM 178 CE LYS A 13 -8.554 -18.691 -4.020 1.00 0.00 C ATOM 179 NZ LYS A 13 -9.905 -19.307 -3.956 1.00 0.00 N ATOM 0 H LYS A 13 -3.758 -16.619 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.969 -15.680 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.544 -16.769 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.227 -15.661 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.575 -17.324 -6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.120 -18.445 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.921 -17.302 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.401 -18.888 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.804 -19.437 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.485 -17.895 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.072 -19.678 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.624 -18.590 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.965 -20.085 -4.644 1.00 0.00 H new ATOM 193 N VAL A 14 -5.574 -13.473 -4.635 1.00 0.00 N ATOM 194 CA VAL A 14 -5.665 -12.113 -4.131 1.00 0.00 C ATOM 195 C VAL A 14 -7.129 -11.730 -4.372 1.00 0.00 C ATOM 196 O VAL A 14 -7.740 -12.169 -5.352 1.00 0.00 O ATOM 197 CB VAL A 14 -4.647 -11.189 -4.842 1.00 0.00 C ATOM 198 CG1 VAL A 14 -4.761 -9.730 -4.380 1.00 0.00 C ATOM 199 CG2 VAL A 14 -3.196 -11.629 -4.581 1.00 0.00 C ATOM 0 H VAL A 14 -6.087 -13.586 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.408 -12.016 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.888 -11.266 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.026 -9.123 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.762 -9.357 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.576 -9.672 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.513 -10.955 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.994 -11.600 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.052 -12.644 -4.950 1.00 0.00 H new ATOM 209 N HIS A 15 -7.685 -10.928 -3.468 1.00 0.00 N ATOM 210 CA HIS A 15 -9.117 -10.624 -3.378 1.00 0.00 C ATOM 211 C HIS A 15 -9.360 -9.126 -3.140 1.00 0.00 C ATOM 212 O HIS A 15 -10.422 -8.725 -2.665 1.00 0.00 O ATOM 213 CB HIS A 15 -9.748 -11.490 -2.270 1.00 0.00 C ATOM 214 CG HIS A 15 -9.490 -12.967 -2.443 1.00 0.00 C ATOM 215 ND1 HIS A 15 -10.026 -13.782 -3.416 1.00 0.00 N ATOM 216 CD2 HIS A 15 -8.617 -13.730 -1.716 1.00 0.00 C ATOM 217 CE1 HIS A 15 -9.484 -15.003 -3.276 1.00 0.00 C ATOM 218 NE2 HIS A 15 -8.609 -15.021 -2.254 1.00 0.00 N ATOM 0 H HIS A 15 -7.135 -10.454 -2.752 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.595 -10.865 -4.328 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.357 -11.171 -1.304 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -10.824 -11.316 -2.252 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.713 -13.507 -4.118 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.034 -13.393 -0.872 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.718 -15.854 -3.899 1.00 0.00 H new ATOM 226 N VAL A 16 -8.366 -8.300 -3.466 1.00 0.00 N ATOM 227 CA VAL A 16 -8.380 -6.850 -3.323 1.00 0.00 C ATOM 228 C VAL A 16 -7.916 -6.202 -4.625 1.00 0.00 C ATOM 229 O VAL A 16 -7.203 -6.823 -5.418 1.00 0.00 O ATOM 230 CB VAL A 16 -7.492 -6.421 -2.135 1.00 0.00 C ATOM 231 CG1 VAL A 16 -8.245 -6.627 -0.824 1.00 0.00 C ATOM 232 CG2 VAL A 16 -6.140 -7.153 -2.065 1.00 0.00 C ATOM 0 H VAL A 16 -7.488 -8.644 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.396 -6.515 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.266 -5.367 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.613 -6.322 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.154 -6.026 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.506 -7.680 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.577 -6.795 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.311 -8.225 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.573 -6.958 -2.976 1.00 0.00 H new ATOM 242 N LYS A 17 -8.307 -4.942 -4.824 1.00 0.00 N ATOM 243 CA LYS A 17 -7.891 -4.094 -5.934 1.00 0.00 C ATOM 244 C LYS A 17 -7.738 -2.682 -5.378 1.00 0.00 C ATOM 245 O LYS A 17 -8.356 -2.367 -4.358 1.00 0.00 O ATOM 246 CB LYS A 17 -8.952 -4.082 -7.053 1.00 0.00 C ATOM 247 CG LYS A 17 -9.234 -5.469 -7.647 1.00 0.00 C ATOM 248 CD LYS A 17 -10.145 -5.425 -8.884 1.00 0.00 C ATOM 249 CE LYS A 17 -11.553 -4.905 -8.554 1.00 0.00 C ATOM 250 NZ LYS A 17 -12.448 -4.918 -9.738 1.00 0.00 N ATOM 0 H LYS A 17 -8.949 -4.468 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.961 -4.469 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.880 -3.670 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.621 -3.415 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.289 -5.940 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.697 -6.096 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.693 -4.786 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.220 -6.424 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.989 -5.518 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.481 -3.889 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.386 -4.559 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.047 -4.313 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.539 -5.891 -10.094 1.00 0.00 H new ATOM 264 N ALA A 18 -6.973 -1.816 -6.043 1.00 0.00 N ATOM 265 CA ALA A 18 -6.925 -0.400 -5.688 1.00 0.00 C ATOM 266 C ALA A 18 -8.346 0.178 -5.715 1.00 0.00 C ATOM 267 O ALA A 18 -9.115 -0.094 -6.640 1.00 0.00 O ATOM 268 CB ALA A 18 -5.991 0.356 -6.639 1.00 0.00 C ATOM 0 H ALA A 18 -6.378 -2.072 -6.831 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.525 -0.286 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.965 1.410 -6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.987 -0.062 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.356 0.258 -7.661 1.00 0.00 H new ATOM 274 N GLY A 19 -8.688 0.971 -4.700 1.00 0.00 N ATOM 275 CA GLY A 19 -9.993 1.596 -4.543 1.00 0.00 C ATOM 276 C GLY A 19 -11.034 0.696 -3.868 1.00 0.00 C ATOM 277 O GLY A 19 -12.132 1.179 -3.583 1.00 0.00 O ATOM 0 H GLY A 19 -8.043 1.201 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.880 2.508 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.364 1.892 -5.524 1.00 0.00 H new ATOM 281 N ASP A 20 -10.743 -0.584 -3.605 1.00 0.00 N ATOM 282 CA ASP A 20 -11.696 -1.482 -2.947 1.00 0.00 C ATOM 283 C ASP A 20 -11.731 -1.223 -1.438 1.00 0.00 C ATOM 284 O ASP A 20 -10.684 -1.014 -0.822 1.00 0.00 O ATOM 285 CB ASP A 20 -11.313 -2.940 -3.228 1.00 0.00 C ATOM 286 CG ASP A 20 -12.370 -3.935 -2.716 1.00 0.00 C ATOM 287 OD1 ASP A 20 -13.584 -3.653 -2.836 1.00 0.00 O ATOM 288 OD2 ASP A 20 -11.980 -5.035 -2.270 1.00 0.00 O ATOM 0 H ASP A 20 -9.852 -1.021 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.691 -1.290 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.179 -3.077 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.355 -3.158 -2.757 1.00 0.00 H new ATOM 293 N GLN A 21 -12.920 -1.235 -0.830 1.00 0.00 N ATOM 294 CA GLN A 21 -13.090 -1.191 0.621 1.00 0.00 C ATOM 295 C GLN A 21 -12.737 -2.569 1.196 1.00 0.00 C ATOM 296 O GLN A 21 -13.138 -3.591 0.636 1.00 0.00 O ATOM 297 CB GLN A 21 -14.556 -0.824 0.932 1.00 0.00 C ATOM 298 CG GLN A 21 -14.941 -0.789 2.424 1.00 0.00 C ATOM 299 CD GLN A 21 -14.360 0.404 3.190 1.00 0.00 C ATOM 300 OE1 GLN A 21 -14.618 1.558 2.860 1.00 0.00 O ATOM 301 NE2 GLN A 21 -13.597 0.168 4.246 1.00 0.00 N ATOM 0 H GLN A 21 -13.802 -1.276 -1.340 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.437 -0.444 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -14.764 0.155 0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.204 -1.540 0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -16.028 -0.767 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -14.603 -1.711 2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.385 -0.792 4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.222 0.946 4.788 1.00 0.00 H new ATOM 310 N ILE A 22 -12.076 -2.590 2.353 1.00 0.00 N ATOM 311 CA ILE A 22 -11.830 -3.781 3.161 1.00 0.00 C ATOM 312 C ILE A 22 -12.128 -3.468 4.625 1.00 0.00 C ATOM 313 O ILE A 22 -12.291 -2.303 5.010 1.00 0.00 O ATOM 314 CB ILE A 22 -10.398 -4.327 2.955 1.00 0.00 C ATOM 315 CG1 ILE A 22 -9.307 -3.342 3.433 1.00 0.00 C ATOM 316 CG2 ILE A 22 -10.186 -4.742 1.491 1.00 0.00 C ATOM 317 CD1 ILE A 22 -7.891 -3.909 3.314 1.00 0.00 C ATOM 0 H ILE A 22 -11.683 -1.745 2.768 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.500 -4.577 2.836 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.297 -5.212 3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.374 -2.424 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.498 -3.074 4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.173 -5.124 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.903 -5.519 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.332 -3.878 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.172 -3.169 3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.808 -4.811 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.682 -4.151 2.272 1.00 0.00 H new ATOM 329 N GLU A 23 -12.198 -4.514 5.442 1.00 0.00 N ATOM 330 CA GLU A 23 -12.660 -4.468 6.814 1.00 0.00 C ATOM 331 C GLU A 23 -11.763 -5.433 7.582 1.00 0.00 C ATOM 332 O GLU A 23 -11.412 -6.481 7.036 1.00 0.00 O ATOM 333 CB GLU A 23 -14.138 -4.882 6.847 1.00 0.00 C ATOM 334 CG GLU A 23 -14.750 -4.664 8.233 1.00 0.00 C ATOM 335 CD GLU A 23 -16.247 -5.019 8.256 1.00 0.00 C ATOM 336 OE1 GLU A 23 -16.597 -6.196 8.504 1.00 0.00 O ATOM 337 OE2 GLU A 23 -17.096 -4.122 8.047 1.00 0.00 O ATOM 0 H GLU A 23 -11.922 -5.451 5.149 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.601 -3.476 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.695 -4.307 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.229 -5.932 6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.220 -5.274 8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.618 -3.623 8.530 1.00 0.00 H new ATOM 344 N LYS A 24 -11.363 -5.087 8.809 1.00 0.00 N ATOM 345 CA LYS A 24 -10.471 -5.905 9.631 1.00 0.00 C ATOM 346 C LYS A 24 -10.983 -7.350 9.658 1.00 0.00 C ATOM 347 O LYS A 24 -12.123 -7.594 10.063 1.00 0.00 O ATOM 348 CB LYS A 24 -10.372 -5.285 11.038 1.00 0.00 C ATOM 349 CG LYS A 24 -9.396 -6.042 11.958 1.00 0.00 C ATOM 350 CD LYS A 24 -9.307 -5.406 13.358 1.00 0.00 C ATOM 351 CE LYS A 24 -8.462 -4.120 13.431 1.00 0.00 C ATOM 352 NZ LYS A 24 -7.008 -4.392 13.540 1.00 0.00 N ATOM 0 H LYS A 24 -11.654 -4.221 9.263 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.466 -5.927 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.050 -4.247 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.361 -5.275 11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.718 -7.079 12.051 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.406 -6.055 11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.316 -5.181 13.704 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.889 -6.138 14.048 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.648 -3.517 12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.782 -3.529 14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.512 -3.522 13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.845 -5.130 14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.645 -4.715 12.620 1.00 0.00 H new ATOM 366 N GLY A 25 -10.147 -8.296 9.224 1.00 0.00 N ATOM 367 CA GLY A 25 -10.473 -9.717 9.215 1.00 0.00 C ATOM 368 C GLY A 25 -11.140 -10.209 7.922 1.00 0.00 C ATOM 369 O GLY A 25 -11.423 -11.405 7.829 1.00 0.00 O ATOM 0 H GLY A 25 -9.214 -8.090 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.559 -10.288 9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.135 -9.930 10.054 1.00 0.00 H new ATOM 373 N GLN A 26 -11.392 -9.351 6.925 1.00 0.00 N ATOM 374 CA GLN A 26 -11.844 -9.779 5.604 1.00 0.00 C ATOM 375 C GLN A 26 -10.657 -10.456 4.926 1.00 0.00 C ATOM 376 O GLN A 26 -9.535 -9.971 5.037 1.00 0.00 O ATOM 377 CB GLN A 26 -12.291 -8.563 4.775 1.00 0.00 C ATOM 378 CG GLN A 26 -12.995 -8.965 3.466 1.00 0.00 C ATOM 379 CD GLN A 26 -12.805 -7.912 2.375 1.00 0.00 C ATOM 380 OE1 GLN A 26 -13.473 -6.882 2.365 1.00 0.00 O ATOM 381 NE2 GLN A 26 -11.890 -8.144 1.446 1.00 0.00 N ATOM 0 H GLN A 26 -11.287 -8.341 7.016 1.00 0.00 H new ATOM 0 HA GLN A 26 -12.691 -10.459 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -12.965 -7.949 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.422 -7.948 4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.603 -9.921 3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.059 -9.106 3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.345 -9.006 1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.730 -7.461 0.705 1.00 0.00 H new ATOM 390 N GLU A 27 -10.883 -11.541 4.196 1.00 0.00 N ATOM 391 CA GLU A 27 -9.858 -12.156 3.360 1.00 0.00 C ATOM 392 C GLU A 27 -9.437 -11.163 2.269 1.00 0.00 C ATOM 393 O GLU A 27 -10.293 -10.553 1.620 1.00 0.00 O ATOM 394 CB GLU A 27 -10.413 -13.471 2.798 1.00 0.00 C ATOM 395 CG GLU A 27 -9.352 -14.326 2.095 1.00 0.00 C ATOM 396 CD GLU A 27 -9.929 -15.714 1.751 1.00 0.00 C ATOM 397 OE1 GLU A 27 -10.742 -15.826 0.806 1.00 0.00 O ATOM 398 OE2 GLU A 27 -9.603 -16.698 2.454 1.00 0.00 O ATOM 0 H GLU A 27 -11.783 -12.020 4.166 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.962 -12.396 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.854 -14.048 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.215 -13.248 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.017 -13.828 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.479 -14.436 2.738 1.00 0.00 H new ATOM 405 N VAL A 28 -8.127 -11.003 2.069 1.00 0.00 N ATOM 406 CA VAL A 28 -7.545 -10.146 1.045 1.00 0.00 C ATOM 407 C VAL A 28 -6.569 -10.929 0.158 1.00 0.00 C ATOM 408 O VAL A 28 -6.395 -10.551 -0.999 1.00 0.00 O ATOM 409 CB VAL A 28 -6.908 -8.896 1.691 1.00 0.00 C ATOM 410 CG1 VAL A 28 -7.974 -8.012 2.356 1.00 0.00 C ATOM 411 CG2 VAL A 28 -5.852 -9.221 2.760 1.00 0.00 C ATOM 0 H VAL A 28 -7.425 -11.482 2.634 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.336 -9.793 0.383 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.420 -8.378 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.497 -7.140 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.696 -7.687 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.487 -8.581 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.450 -8.294 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.311 -9.801 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.045 -9.800 2.310 1.00 0.00 H new ATOM 421 N ALA A 29 -5.992 -12.049 0.618 1.00 0.00 N ATOM 422 CA ALA A 29 -5.196 -12.942 -0.223 1.00 0.00 C ATOM 423 C ALA A 29 -5.141 -14.341 0.388 1.00 0.00 C ATOM 424 O ALA A 29 -5.630 -14.560 1.497 1.00 0.00 O ATOM 425 CB ALA A 29 -3.777 -12.375 -0.417 1.00 0.00 C ATOM 0 H ALA A 29 -6.067 -12.358 1.587 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.672 -13.015 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.198 -13.052 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.838 -11.398 -0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.290 -12.274 0.553 1.00 0.00 H new ATOM 431 N ILE A 30 -4.521 -15.283 -0.322 1.00 0.00 N ATOM 432 CA ILE A 30 -4.189 -16.604 0.201 1.00 0.00 C ATOM 433 C ILE A 30 -2.775 -16.917 -0.277 1.00 0.00 C ATOM 434 O ILE A 30 -2.434 -16.661 -1.435 1.00 0.00 O ATOM 435 CB ILE A 30 -5.185 -17.697 -0.258 1.00 0.00 C ATOM 436 CG1 ILE A 30 -6.656 -17.321 0.028 1.00 0.00 C ATOM 437 CG2 ILE A 30 -4.822 -19.027 0.435 1.00 0.00 C ATOM 438 CD1 ILE A 30 -7.662 -18.379 -0.443 1.00 0.00 C ATOM 0 H ILE A 30 -4.232 -15.146 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.252 -16.598 1.289 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.099 -17.799 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.781 -17.164 1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.882 -16.373 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.518 -19.804 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.807 -19.315 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.884 -18.903 1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.674 -18.048 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.565 -18.519 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.463 -19.322 0.065 1.00 0.00 H new ATOM 450 N LEU A 31 -1.974 -17.502 0.609 1.00 0.00 N ATOM 451 CA LEU A 31 -0.679 -18.066 0.286 1.00 0.00 C ATOM 452 C LEU A 31 -0.848 -19.554 0.058 1.00 0.00 C ATOM 453 O LEU A 31 -1.427 -20.263 0.891 1.00 0.00 O ATOM 454 CB LEU A 31 0.293 -17.891 1.455 1.00 0.00 C ATOM 455 CG LEU A 31 0.616 -16.434 1.789 1.00 0.00 C ATOM 456 CD1 LEU A 31 1.566 -16.397 2.987 1.00 0.00 C ATOM 457 CD2 LEU A 31 1.204 -15.661 0.608 1.00 0.00 C ATOM 0 H LEU A 31 -2.219 -17.596 1.595 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.288 -17.561 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.129 -18.370 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.221 -18.413 1.222 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.322 -15.935 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.802 -15.362 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.090 -16.874 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.484 -16.930 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.411 -14.635 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.130 -16.138 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.491 -15.659 -0.217 1.00 0.00 H new ATOM 469 N GLU A 32 -0.266 -20.015 -1.040 1.00 0.00 N ATOM 470 CA GLU A 32 0.405 -21.294 -1.059 1.00 0.00 C ATOM 471 C GLU A 32 1.756 -21.037 -0.401 1.00 0.00 C ATOM 472 O GLU A 32 2.363 -19.985 -0.605 1.00 0.00 O ATOM 473 CB GLU A 32 0.555 -21.747 -2.522 1.00 0.00 C ATOM 474 CG GLU A 32 1.501 -22.940 -2.757 1.00 0.00 C ATOM 475 CD GLU A 32 2.888 -22.515 -3.278 1.00 0.00 C ATOM 476 OE1 GLU A 32 3.790 -22.191 -2.471 1.00 0.00 O ATOM 477 OE2 GLU A 32 3.083 -22.513 -4.514 1.00 0.00 O ATOM 0 H GLU A 32 -0.249 -19.516 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.134 -22.083 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.431 -22.008 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.912 -20.902 -3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.622 -23.490 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.044 -23.624 -3.472 1.00 0.00 H new ATOM 484 N SER A 33 2.219 -22.002 0.374 1.00 0.00 N ATOM 485 CA SER A 33 3.491 -21.951 1.051 1.00 0.00 C ATOM 486 C SER A 33 4.077 -23.350 0.981 1.00 0.00 C ATOM 487 O SER A 33 3.922 -24.137 1.910 1.00 0.00 O ATOM 488 CB SER A 33 3.268 -21.462 2.483 1.00 0.00 C ATOM 489 OG SER A 33 3.236 -20.050 2.544 1.00 0.00 O ATOM 0 H SER A 33 1.702 -22.863 0.551 1.00 0.00 H new ATOM 0 HA SER A 33 4.193 -21.255 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.331 -21.866 2.866 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.064 -21.838 3.126 1.00 0.00 H new ATOM 0 HG SER A 33 4.143 -19.708 2.686 1.00 0.00 H new ATOM 495 N MET A 34 4.706 -23.675 -0.151 1.00 0.00 N ATOM 496 CA MET A 34 5.454 -24.914 -0.361 1.00 0.00 C ATOM 497 C MET A 34 4.653 -26.149 0.100 1.00 0.00 C ATOM 498 O MET A 34 5.150 -26.975 0.874 1.00 0.00 O ATOM 499 CB MET A 34 6.864 -24.808 0.262 1.00 0.00 C ATOM 500 CG MET A 34 7.716 -23.658 -0.304 1.00 0.00 C ATOM 501 SD MET A 34 7.355 -21.991 0.336 1.00 0.00 S ATOM 502 CE MET A 34 8.455 -21.008 -0.717 1.00 0.00 C ATOM 0 H MET A 34 4.708 -23.065 -0.969 1.00 0.00 H new ATOM 0 HA MET A 34 5.604 -25.060 -1.431 1.00 0.00 H new ATOM 0 HB2 MET A 34 6.765 -24.676 1.339 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.391 -25.749 0.103 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.765 -23.880 -0.106 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.593 -23.642 -1.387 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.360 -19.954 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.486 -21.328 -0.565 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.181 -21.151 -1.762 1.00 0.00 H new ATOM 512 N LYS A 35 3.403 -26.226 -0.392 1.00 0.00 N ATOM 513 CA LYS A 35 2.394 -27.259 -0.151 1.00 0.00 C ATOM 514 C LYS A 35 1.653 -27.090 1.192 1.00 0.00 C ATOM 515 O LYS A 35 1.057 -28.045 1.690 1.00 0.00 O ATOM 516 CB LYS A 35 2.888 -28.703 -0.423 1.00 0.00 C ATOM 517 CG LYS A 35 3.313 -28.999 -1.872 1.00 0.00 C ATOM 518 CD LYS A 35 4.769 -28.634 -2.203 1.00 0.00 C ATOM 519 CE LYS A 35 5.170 -29.062 -3.618 1.00 0.00 C ATOM 520 NZ LYS A 35 4.547 -28.183 -4.598 1.00 0.00 N ATOM 0 H LYS A 35 3.049 -25.504 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 35 1.634 -27.091 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.733 -28.908 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.094 -29.397 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.165 -30.061 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.654 -28.454 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.903 -27.557 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.433 -29.109 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.254 -29.028 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.865 -30.093 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.824 -28.479 -5.556 1.00 0.00 H new ATOM 532 N MET A 36 1.648 -25.870 1.756 1.00 0.00 N ATOM 533 CA MET A 36 0.830 -25.466 2.898 1.00 0.00 C ATOM 534 C MET A 36 -0.062 -24.303 2.446 1.00 0.00 C ATOM 535 O MET A 36 0.157 -23.721 1.378 1.00 0.00 O ATOM 536 CB MET A 36 1.707 -25.060 4.101 1.00 0.00 C ATOM 537 CG MET A 36 2.694 -26.162 4.512 1.00 0.00 C ATOM 538 SD MET A 36 3.774 -25.743 5.910 1.00 0.00 S ATOM 539 CE MET A 36 4.896 -24.568 5.100 1.00 0.00 C ATOM 0 H MET A 36 2.239 -25.114 1.411 1.00 0.00 H new ATOM 0 HA MET A 36 0.216 -26.303 3.231 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.262 -24.155 3.852 1.00 0.00 H new ATOM 0 HB3 MET A 36 1.065 -24.818 4.948 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.129 -27.059 4.765 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.317 -26.410 3.653 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.692 -24.290 5.790 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.329 -25.031 4.213 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.341 -23.676 4.809 1.00 0.00 H new ATOM 549 N GLU A 37 -1.063 -23.957 3.251 1.00 0.00 N ATOM 550 CA GLU A 37 -2.116 -23.015 2.896 1.00 0.00 C ATOM 551 C GLU A 37 -2.281 -22.022 4.043 1.00 0.00 C ATOM 552 O GLU A 37 -2.340 -22.433 5.206 1.00 0.00 O ATOM 553 CB GLU A 37 -3.418 -23.776 2.586 1.00 0.00 C ATOM 554 CG GLU A 37 -3.924 -24.742 3.673 1.00 0.00 C ATOM 555 CD GLU A 37 -5.185 -25.494 3.213 1.00 0.00 C ATOM 556 OE1 GLU A 37 -6.309 -24.958 3.360 1.00 0.00 O ATOM 557 OE2 GLU A 37 -5.074 -26.643 2.729 1.00 0.00 O ATOM 0 H GLU A 37 -1.165 -24.335 4.193 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.854 -22.459 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.202 -23.045 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.271 -24.343 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.140 -25.459 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.143 -24.185 4.584 1.00 0.00 H new ATOM 564 N ILE A 38 -2.312 -20.720 3.734 1.00 0.00 N ATOM 565 CA ILE A 38 -2.339 -19.673 4.757 1.00 0.00 C ATOM 566 C ILE A 38 -3.264 -18.547 4.261 1.00 0.00 C ATOM 567 O ILE A 38 -2.898 -17.845 3.315 1.00 0.00 O ATOM 568 CB ILE A 38 -0.908 -19.164 5.100 1.00 0.00 C ATOM 569 CG1 ILE A 38 0.139 -20.300 5.225 1.00 0.00 C ATOM 570 CG2 ILE A 38 -0.958 -18.329 6.393 1.00 0.00 C ATOM 571 CD1 ILE A 38 1.573 -19.825 5.461 1.00 0.00 C ATOM 0 H ILE A 38 -2.319 -20.367 2.777 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.732 -20.074 5.692 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.579 -18.546 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.152 -20.955 6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.115 -20.900 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.043 -17.972 6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.623 -17.477 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.330 -18.946 7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.235 -20.688 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.889 -19.196 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.619 -19.252 6.387 1.00 0.00 H new ATOM 583 N PRO A 39 -4.478 -18.389 4.824 1.00 0.00 N ATOM 584 CA PRO A 39 -5.325 -17.226 4.578 1.00 0.00 C ATOM 585 C PRO A 39 -4.585 -15.945 4.958 1.00 0.00 C ATOM 586 O PRO A 39 -3.859 -15.928 5.957 1.00 0.00 O ATOM 587 CB PRO A 39 -6.558 -17.384 5.481 1.00 0.00 C ATOM 588 CG PRO A 39 -6.587 -18.879 5.799 1.00 0.00 C ATOM 589 CD PRO A 39 -5.114 -19.282 5.775 1.00 0.00 C ATOM 0 HA PRO A 39 -5.600 -17.162 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.470 -16.784 6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.469 -17.065 4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.040 -19.073 6.771 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.166 -19.434 5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.665 -19.185 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.998 -20.323 5.473 1.00 0.00 H new ATOM 597 N ILE A 40 -4.839 -14.857 4.234 1.00 0.00 N ATOM 598 CA ILE A 40 -4.286 -13.544 4.523 1.00 0.00 C ATOM 599 C ILE A 40 -5.488 -12.615 4.578 1.00 0.00 C ATOM 600 O ILE A 40 -6.222 -12.459 3.597 1.00 0.00 O ATOM 601 CB ILE A 40 -3.241 -13.114 3.469 1.00 0.00 C ATOM 602 CG1 ILE A 40 -2.254 -14.233 3.068 1.00 0.00 C ATOM 603 CG2 ILE A 40 -2.466 -11.875 3.951 1.00 0.00 C ATOM 604 CD1 ILE A 40 -1.361 -14.740 4.208 1.00 0.00 C ATOM 0 H ILE A 40 -5.447 -14.868 3.415 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.735 -13.529 5.463 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.810 -12.873 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.822 -15.073 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.618 -13.866 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.735 -11.587 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.162 -11.052 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.952 -12.107 4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.702 -15.523 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.762 -13.916 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.984 -15.142 5.007 1.00 0.00 H new ATOM 616 N VAL A 41 -5.699 -12.030 5.750 1.00 0.00 N ATOM 617 CA VAL A 41 -6.857 -11.217 6.069 1.00 0.00 C ATOM 618 C VAL A 41 -6.389 -9.791 6.367 1.00 0.00 C ATOM 619 O VAL A 41 -5.235 -9.566 6.744 1.00 0.00 O ATOM 620 CB VAL A 41 -7.662 -11.850 7.227 1.00 0.00 C ATOM 621 CG1 VAL A 41 -8.516 -13.036 6.751 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.778 -12.385 8.370 1.00 0.00 C ATOM 0 H VAL A 41 -5.045 -12.114 6.528 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.540 -11.172 5.221 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.283 -11.032 7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.065 -13.451 7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.221 -12.696 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.869 -13.803 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.409 -12.815 9.148 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.107 -13.151 7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.192 -11.568 8.790 1.00 0.00 H new ATOM 632 N ALA A 42 -7.286 -8.828 6.155 1.00 0.00 N ATOM 633 CA ALA A 42 -7.020 -7.412 6.278 1.00 0.00 C ATOM 634 C ALA A 42 -6.627 -7.113 7.717 1.00 0.00 C ATOM 635 O ALA A 42 -7.412 -7.347 8.640 1.00 0.00 O ATOM 636 CB ALA A 42 -8.277 -6.623 5.910 1.00 0.00 C ATOM 0 H ALA A 42 -8.249 -9.029 5.884 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.211 -7.123 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.077 -5.556 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.562 -6.851 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.090 -6.899 6.582 1.00 0.00 H new ATOM 642 N ASP A 43 -5.428 -6.560 7.884 1.00 0.00 N ATOM 643 CA ASP A 43 -4.930 -6.095 9.182 1.00 0.00 C ATOM 644 C ASP A 43 -5.867 -5.068 9.820 1.00 0.00 C ATOM 645 O ASP A 43 -5.996 -5.030 11.043 1.00 0.00 O ATOM 646 CB ASP A 43 -3.535 -5.476 9.030 1.00 0.00 C ATOM 647 CG ASP A 43 -3.026 -4.909 10.369 1.00 0.00 C ATOM 648 OD1 ASP A 43 -2.554 -5.698 11.219 1.00 0.00 O ATOM 649 OD2 ASP A 43 -3.068 -3.671 10.553 1.00 0.00 O ATOM 0 H ASP A 43 -4.768 -6.420 7.119 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.881 -6.967 9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.838 -6.230 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.566 -4.681 8.284 1.00 0.00 H new ATOM 654 N ARG A 44 -6.538 -4.242 9.010 1.00 0.00 N ATOM 655 CA ARG A 44 -7.389 -3.145 9.462 1.00 0.00 C ATOM 656 C ARG A 44 -8.402 -2.801 8.374 1.00 0.00 C ATOM 657 O ARG A 44 -8.168 -3.097 7.201 1.00 0.00 O ATOM 658 CB ARG A 44 -6.502 -1.933 9.816 1.00 0.00 C ATOM 659 CG ARG A 44 -5.739 -1.341 8.611 1.00 0.00 C ATOM 660 CD ARG A 44 -4.322 -0.878 8.968 1.00 0.00 C ATOM 661 NE ARG A 44 -4.299 0.152 10.019 1.00 0.00 N ATOM 662 CZ ARG A 44 -3.860 0.008 11.276 1.00 0.00 C ATOM 663 NH1 ARG A 44 -3.407 -1.159 11.734 1.00 0.00 N ATOM 664 NH2 ARG A 44 -3.884 1.065 12.083 1.00 0.00 N ATOM 0 H ARG A 44 -6.500 -4.324 7.994 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.944 -3.437 10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.126 -1.155 10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.782 -2.233 10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.682 -2.089 7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.301 -0.497 8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.737 -1.737 9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.838 -0.487 8.073 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.655 1.073 9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.388 -1.974 11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.079 -1.236 12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.232 1.961 11.740 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.555 0.980 13.045 1.00 0.00 H new ATOM 678 N SER A 45 -9.509 -2.172 8.758 1.00 0.00 N ATOM 679 CA SER A 45 -10.484 -1.645 7.817 1.00 0.00 C ATOM 680 C SER A 45 -9.897 -0.433 7.094 1.00 0.00 C ATOM 681 O SER A 45 -9.124 0.328 7.682 1.00 0.00 O ATOM 682 CB SER A 45 -11.752 -1.262 8.588 1.00 0.00 C ATOM 683 OG SER A 45 -12.156 -2.343 9.418 1.00 0.00 O ATOM 0 H SER A 45 -9.753 -2.014 9.736 1.00 0.00 H new ATOM 0 HA SER A 45 -10.735 -2.397 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.566 -0.376 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.550 -1.009 7.890 1.00 0.00 H new ATOM 0 HG SER A 45 -12.966 -2.093 9.910 1.00 0.00 H new ATOM 689 N GLY A 46 -10.271 -0.218 5.833 1.00 0.00 N ATOM 690 CA GLY A 46 -9.774 0.909 5.054 1.00 0.00 C ATOM 691 C GLY A 46 -10.140 0.741 3.588 1.00 0.00 C ATOM 692 O GLY A 46 -10.767 -0.249 3.214 1.00 0.00 O ATOM 0 H GLY A 46 -10.923 -0.818 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.196 1.838 5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.692 0.983 5.159 1.00 0.00 H new ATOM 696 N ILE A 47 -9.735 1.691 2.750 1.00 0.00 N ATOM 697 CA ILE A 47 -9.823 1.555 1.303 1.00 0.00 C ATOM 698 C ILE A 47 -8.399 1.258 0.842 1.00 0.00 C ATOM 699 O ILE A 47 -7.443 1.880 1.310 1.00 0.00 O ATOM 700 CB ILE A 47 -10.456 2.812 0.661 1.00 0.00 C ATOM 701 CG1 ILE A 47 -11.913 2.954 1.166 1.00 0.00 C ATOM 702 CG2 ILE A 47 -10.420 2.720 -0.876 1.00 0.00 C ATOM 703 CD1 ILE A 47 -12.701 4.121 0.559 1.00 0.00 C ATOM 0 H ILE A 47 -9.336 2.578 3.058 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.486 0.748 0.989 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.883 3.693 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.446 2.027 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.896 3.072 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.871 3.615 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.386 2.638 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.978 1.842 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.708 4.136 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.198 5.060 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.757 3.998 -0.523 1.00 0.00 H new ATOM 715 N VAL A 48 -8.256 0.276 -0.042 1.00 0.00 N ATOM 716 CA VAL A 48 -6.980 -0.100 -0.623 1.00 0.00 C ATOM 717 C VAL A 48 -6.490 1.065 -1.479 1.00 0.00 C ATOM 718 O VAL A 48 -7.198 1.535 -2.370 1.00 0.00 O ATOM 719 CB VAL A 48 -7.149 -1.397 -1.429 1.00 0.00 C ATOM 720 CG1 VAL A 48 -5.840 -1.812 -2.113 1.00 0.00 C ATOM 721 CG2 VAL A 48 -7.604 -2.554 -0.527 1.00 0.00 C ATOM 0 H VAL A 48 -9.038 -0.287 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.232 -0.299 0.144 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.907 -1.193 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.999 -2.733 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.519 -1.024 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.071 -1.974 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.715 -3.459 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.860 -2.722 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.560 -2.303 -0.067 1.00 0.00 H new ATOM 731 N LYS A 49 -5.263 1.510 -1.228 1.00 0.00 N ATOM 732 CA LYS A 49 -4.590 2.514 -2.030 1.00 0.00 C ATOM 733 C LYS A 49 -3.787 1.818 -3.128 1.00 0.00 C ATOM 734 O LYS A 49 -3.817 2.284 -4.266 1.00 0.00 O ATOM 735 CB LYS A 49 -3.709 3.359 -1.100 1.00 0.00 C ATOM 736 CG LYS A 49 -3.128 4.596 -1.799 1.00 0.00 C ATOM 737 CD LYS A 49 -1.954 5.195 -1.014 1.00 0.00 C ATOM 738 CE LYS A 49 -2.306 5.547 0.441 1.00 0.00 C ATOM 739 NZ LYS A 49 -1.132 6.062 1.177 1.00 0.00 N ATOM 0 H LYS A 49 -4.702 1.174 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.299 3.180 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.296 3.676 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.893 2.744 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.795 4.324 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.909 5.348 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.125 4.487 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.607 6.094 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.100 6.294 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.693 4.662 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.425 6.368 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.417 5.311 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.727 6.870 0.663 1.00 0.00 H new ATOM 753 N GLU A 50 -3.117 0.694 -2.836 1.00 0.00 N ATOM 754 CA GLU A 50 -2.375 -0.061 -3.843 1.00 0.00 C ATOM 755 C GLU A 50 -2.274 -1.522 -3.412 1.00 0.00 C ATOM 756 O GLU A 50 -2.263 -1.807 -2.214 1.00 0.00 O ATOM 757 CB GLU A 50 -0.968 0.553 -4.009 1.00 0.00 C ATOM 758 CG GLU A 50 -0.112 -0.045 -5.136 1.00 0.00 C ATOM 759 CD GLU A 50 -0.805 -0.006 -6.510 1.00 0.00 C ATOM 760 OE1 GLU A 50 -1.677 -0.866 -6.769 1.00 0.00 O ATOM 761 OE2 GLU A 50 -0.475 0.874 -7.339 1.00 0.00 O ATOM 0 H GLU A 50 -3.077 0.289 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.895 -0.014 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.077 1.623 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.429 0.440 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.830 0.500 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.132 -1.078 -4.889 1.00 0.00 H new ATOM 768 N VAL A 51 -2.131 -2.430 -4.377 1.00 0.00 N ATOM 769 CA VAL A 51 -1.812 -3.835 -4.154 1.00 0.00 C ATOM 770 C VAL A 51 -0.376 -4.007 -4.651 1.00 0.00 C ATOM 771 O VAL A 51 -0.082 -3.769 -5.824 1.00 0.00 O ATOM 772 CB VAL A 51 -2.813 -4.766 -4.881 1.00 0.00 C ATOM 773 CG1 VAL A 51 -2.724 -6.191 -4.313 1.00 0.00 C ATOM 774 CG2 VAL A 51 -4.280 -4.315 -4.769 1.00 0.00 C ATOM 0 H VAL A 51 -2.238 -2.198 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.894 -4.112 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.526 -4.728 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.433 -6.835 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.714 -6.576 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.962 -6.174 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.919 -5.018 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.572 -4.285 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.390 -3.322 -5.205 1.00 0.00 H new ATOM 784 N LYS A 52 0.547 -4.363 -3.753 1.00 0.00 N ATOM 785 CA LYS A 52 1.979 -4.396 -4.050 1.00 0.00 C ATOM 786 C LYS A 52 2.384 -5.670 -4.806 1.00 0.00 C ATOM 787 O LYS A 52 3.553 -5.821 -5.161 1.00 0.00 O ATOM 788 CB LYS A 52 2.764 -4.258 -2.732 1.00 0.00 C ATOM 789 CG LYS A 52 2.445 -2.983 -1.925 1.00 0.00 C ATOM 790 CD LYS A 52 2.862 -1.681 -2.630 1.00 0.00 C ATOM 791 CE LYS A 52 2.494 -0.489 -1.742 1.00 0.00 C ATOM 792 NZ LYS A 52 2.976 0.811 -2.269 1.00 0.00 N ATOM 0 H LYS A 52 0.320 -4.637 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 52 2.218 -3.561 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.557 -5.128 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.831 -4.273 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.374 -2.950 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.948 -3.040 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.934 -1.687 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.362 -1.599 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.410 -0.448 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.910 -0.645 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.594 1.584 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.015 0.835 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.657 0.927 -3.252 1.00 0.00 H new ATOM 806 N LYS A 53 1.446 -6.596 -5.027 1.00 0.00 N ATOM 807 CA LYS A 53 1.648 -7.919 -5.614 1.00 0.00 C ATOM 808 C LYS A 53 0.387 -8.278 -6.407 1.00 0.00 C ATOM 809 O LYS A 53 -0.563 -7.493 -6.451 1.00 0.00 O ATOM 810 CB LYS A 53 1.888 -8.960 -4.503 1.00 0.00 C ATOM 811 CG LYS A 53 3.142 -8.778 -3.634 1.00 0.00 C ATOM 812 CD LYS A 53 4.413 -9.171 -4.397 1.00 0.00 C ATOM 813 CE LYS A 53 5.624 -9.054 -3.476 1.00 0.00 C ATOM 814 NZ LYS A 53 6.801 -9.798 -3.981 1.00 0.00 N ATOM 0 H LYS A 53 0.469 -6.430 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 53 2.520 -7.914 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.018 -8.961 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.938 -9.945 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.216 -7.739 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.054 -9.386 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.324 -10.192 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.541 -8.525 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.887 -8.002 -3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.360 -9.428 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.522 -9.857 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.512 -10.757 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.197 -9.303 -4.805 1.00 0.00 H new ATOM 828 N LYS A 54 0.357 -9.467 -7.007 1.00 0.00 N ATOM 829 CA LYS A 54 -0.807 -10.035 -7.682 1.00 0.00 C ATOM 830 C LYS A 54 -0.815 -11.544 -7.452 1.00 0.00 C ATOM 831 O LYS A 54 0.161 -12.095 -6.936 1.00 0.00 O ATOM 832 CB LYS A 54 -0.774 -9.693 -9.186 1.00 0.00 C ATOM 833 CG LYS A 54 0.516 -10.151 -9.899 1.00 0.00 C ATOM 834 CD LYS A 54 0.437 -10.028 -11.428 1.00 0.00 C ATOM 835 CE LYS A 54 -0.527 -11.061 -12.033 1.00 0.00 C ATOM 836 NZ LYS A 54 -0.549 -11.008 -13.516 1.00 0.00 N ATOM 0 H LYS A 54 1.171 -10.082 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.724 -9.609 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.632 -10.156 -9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.882 -8.615 -9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.355 -9.557 -9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.721 -11.188 -9.634 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.109 -9.024 -11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.430 -10.163 -11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.234 -12.060 -11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.532 -10.885 -11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.213 -11.722 -13.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.854 -10.063 -13.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.404 -11.202 -13.884 1.00 0.00 H new ATOM 850 N GLU A 55 -1.897 -12.213 -7.844 1.00 0.00 N ATOM 851 CA GLU A 55 -1.948 -13.670 -7.887 1.00 0.00 C ATOM 852 C GLU A 55 -0.739 -14.204 -8.663 1.00 0.00 C ATOM 853 O GLU A 55 -0.385 -13.687 -9.727 1.00 0.00 O ATOM 854 CB GLU A 55 -3.236 -14.194 -8.549 1.00 0.00 C ATOM 855 CG GLU A 55 -4.537 -13.694 -7.908 1.00 0.00 C ATOM 856 CD GLU A 55 -5.113 -12.456 -8.625 1.00 0.00 C ATOM 857 OE1 GLU A 55 -4.468 -11.383 -8.608 1.00 0.00 O ATOM 858 OE2 GLU A 55 -6.213 -12.554 -9.214 1.00 0.00 O ATOM 0 H GLU A 55 -2.761 -11.760 -8.140 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.934 -14.023 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.231 -13.906 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.227 -15.284 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.276 -14.495 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.352 -13.450 -6.862 1.00 0.00 H new ATOM 865 N GLY A 56 -0.127 -15.257 -8.131 1.00 0.00 N ATOM 866 CA GLY A 56 1.005 -15.948 -8.718 1.00 0.00 C ATOM 867 C GLY A 56 2.344 -15.279 -8.409 1.00 0.00 C ATOM 868 O GLY A 56 3.371 -15.808 -8.841 1.00 0.00 O ATOM 0 H GLY A 56 -0.421 -15.665 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.026 -16.974 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.872 -15.998 -9.799 1.00 0.00 H new ATOM 872 N ASP A 57 2.379 -14.142 -7.696 1.00 0.00 N ATOM 873 CA ASP A 57 3.656 -13.512 -7.358 1.00 0.00 C ATOM 874 C ASP A 57 4.323 -14.294 -6.221 1.00 0.00 C ATOM 875 O ASP A 57 3.645 -14.929 -5.405 1.00 0.00 O ATOM 876 CB ASP A 57 3.484 -12.030 -6.991 1.00 0.00 C ATOM 877 CG ASP A 57 4.729 -11.185 -7.325 1.00 0.00 C ATOM 878 OD1 ASP A 57 5.869 -11.698 -7.297 1.00 0.00 O ATOM 879 OD2 ASP A 57 4.554 -9.990 -7.648 1.00 0.00 O ATOM 0 H ASP A 57 1.554 -13.652 -7.350 1.00 0.00 H new ATOM 0 HA ASP A 57 4.300 -13.540 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.623 -11.626 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.269 -11.947 -5.926 1.00 0.00 H new ATOM 884 N PHE A 58 5.650 -14.242 -6.158 1.00 0.00 N ATOM 885 CA PHE A 58 6.438 -14.833 -5.086 1.00 0.00 C ATOM 886 C PHE A 58 6.471 -13.843 -3.927 1.00 0.00 C ATOM 887 O PHE A 58 6.526 -12.626 -4.145 1.00 0.00 O ATOM 888 CB PHE A 58 7.857 -15.114 -5.590 1.00 0.00 C ATOM 889 CG PHE A 58 8.772 -15.716 -4.538 1.00 0.00 C ATOM 890 CD1 PHE A 58 8.692 -17.088 -4.233 1.00 0.00 C ATOM 891 CD2 PHE A 58 9.685 -14.900 -3.839 1.00 0.00 C ATOM 892 CE1 PHE A 58 9.524 -17.644 -3.245 1.00 0.00 C ATOM 893 CE2 PHE A 58 10.517 -15.456 -2.851 1.00 0.00 C ATOM 894 CZ PHE A 58 10.440 -16.829 -2.556 1.00 0.00 C ATOM 0 H PHE A 58 6.218 -13.778 -6.867 1.00 0.00 H new ATOM 0 HA PHE A 58 5.999 -15.775 -4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.803 -15.792 -6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.296 -14.184 -5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.989 -17.716 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.746 -13.845 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.460 -18.697 -3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.216 -14.828 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.083 -17.257 -1.801 1.00 0.00 H new ATOM 904 N VAL A 59 6.460 -14.351 -2.697 1.00 0.00 N ATOM 905 CA VAL A 59 6.377 -13.536 -1.497 1.00 0.00 C ATOM 906 C VAL A 59 7.129 -14.213 -0.354 1.00 0.00 C ATOM 907 O VAL A 59 7.419 -15.417 -0.391 1.00 0.00 O ATOM 908 CB VAL A 59 4.902 -13.283 -1.133 1.00 0.00 C ATOM 909 CG1 VAL A 59 4.228 -12.278 -2.072 1.00 0.00 C ATOM 910 CG2 VAL A 59 4.046 -14.556 -1.098 1.00 0.00 C ATOM 0 H VAL A 59 6.509 -15.352 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 59 6.846 -12.569 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 59 4.951 -12.871 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.190 -12.137 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.753 -11.324 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.260 -12.656 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.020 -14.298 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.060 -15.031 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.449 -15.245 -0.355 1.00 0.00 H new ATOM 920 N ASN A 60 7.465 -13.439 0.678 1.00 0.00 N ATOM 921 CA ASN A 60 8.204 -13.936 1.826 1.00 0.00 C ATOM 922 C ASN A 60 7.809 -13.185 3.082 1.00 0.00 C ATOM 923 O ASN A 60 7.145 -12.151 3.006 1.00 0.00 O ATOM 924 CB ASN A 60 9.722 -13.865 1.565 1.00 0.00 C ATOM 925 CG ASN A 60 10.346 -15.253 1.633 1.00 0.00 C ATOM 926 OD1 ASN A 60 11.135 -15.552 2.522 1.00 0.00 O ATOM 927 ND2 ASN A 60 9.969 -16.134 0.718 1.00 0.00 N ATOM 0 H ASN A 60 7.229 -12.448 0.736 1.00 0.00 H new ATOM 0 HA ASN A 60 7.949 -14.984 1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.907 -13.425 0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.192 -13.213 2.301 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.337 -17.085 0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.311 -15.861 -0.012 1.00 0.00 H new ATOM 934 N GLU A 61 8.217 -13.704 4.238 1.00 0.00 N ATOM 935 CA GLU A 61 7.982 -13.053 5.521 1.00 0.00 C ATOM 936 C GLU A 61 8.556 -11.626 5.485 1.00 0.00 C ATOM 937 O GLU A 61 9.760 -11.440 5.287 1.00 0.00 O ATOM 938 CB GLU A 61 8.605 -13.917 6.630 1.00 0.00 C ATOM 939 CG GLU A 61 8.267 -13.407 8.036 1.00 0.00 C ATOM 940 CD GLU A 61 9.053 -14.168 9.121 1.00 0.00 C ATOM 941 OE1 GLU A 61 8.620 -15.261 9.551 1.00 0.00 O ATOM 942 OE2 GLU A 61 10.110 -13.670 9.571 1.00 0.00 O ATOM 0 H GLU A 61 8.720 -14.588 4.310 1.00 0.00 H new ATOM 0 HA GLU A 61 6.916 -12.961 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.254 -14.944 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.688 -13.936 6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.493 -12.343 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.198 -13.517 8.216 1.00 0.00 H new ATOM 949 N GLY A 62 7.688 -10.626 5.655 1.00 0.00 N ATOM 950 CA GLY A 62 8.043 -9.213 5.676 1.00 0.00 C ATOM 951 C GLY A 62 7.941 -8.542 4.302 1.00 0.00 C ATOM 952 O GLY A 62 8.142 -7.329 4.217 1.00 0.00 O ATOM 0 H GLY A 62 6.689 -10.787 5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.390 -8.692 6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.061 -9.107 6.050 1.00 0.00 H new ATOM 956 N ASP A 63 7.646 -9.286 3.229 1.00 0.00 N ATOM 957 CA ASP A 63 7.401 -8.715 1.910 1.00 0.00 C ATOM 958 C ASP A 63 6.015 -8.070 1.921 1.00 0.00 C ATOM 959 O ASP A 63 5.104 -8.555 2.594 1.00 0.00 O ATOM 960 CB ASP A 63 7.501 -9.806 0.837 1.00 0.00 C ATOM 961 CG ASP A 63 7.660 -9.255 -0.585 1.00 0.00 C ATOM 962 OD1 ASP A 63 7.618 -8.024 -0.803 1.00 0.00 O ATOM 963 OD2 ASP A 63 7.866 -10.088 -1.495 1.00 0.00 O ATOM 0 H ASP A 63 7.572 -10.303 3.257 1.00 0.00 H new ATOM 0 HA ASP A 63 8.149 -7.958 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.349 -10.451 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.607 -10.428 0.879 1.00 0.00 H new ATOM 968 N VAL A 64 5.849 -6.959 1.219 1.00 0.00 N ATOM 969 CA VAL A 64 4.636 -6.152 1.248 1.00 0.00 C ATOM 970 C VAL A 64 3.525 -6.786 0.401 1.00 0.00 C ATOM 971 O VAL A 64 3.804 -7.526 -0.546 1.00 0.00 O ATOM 972 CB VAL A 64 4.959 -4.716 0.793 1.00 0.00 C ATOM 973 CG1 VAL A 64 5.751 -3.976 1.879 1.00 0.00 C ATOM 974 CG2 VAL A 64 5.726 -4.641 -0.540 1.00 0.00 C ATOM 0 H VAL A 64 6.568 -6.585 0.600 1.00 0.00 H new ATOM 0 HA VAL A 64 4.261 -6.111 2.271 1.00 0.00 H new ATOM 0 HB VAL A 64 3.995 -4.235 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.971 -2.963 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.161 -3.934 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.684 -4.505 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.916 -3.598 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.674 -5.170 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.131 -5.103 -1.328 1.00 0.00 H new ATOM 984 N LEU A 65 2.264 -6.453 0.709 1.00 0.00 N ATOM 985 CA LEU A 65 1.090 -6.952 -0.012 1.00 0.00 C ATOM 986 C LEU A 65 0.123 -5.831 -0.372 1.00 0.00 C ATOM 987 O LEU A 65 -0.373 -5.813 -1.499 1.00 0.00 O ATOM 988 CB LEU A 65 0.338 -7.986 0.854 1.00 0.00 C ATOM 989 CG LEU A 65 -0.960 -8.542 0.223 1.00 0.00 C ATOM 990 CD1 LEU A 65 -0.706 -9.272 -1.100 1.00 0.00 C ATOM 991 CD2 LEU A 65 -1.625 -9.506 1.209 1.00 0.00 C ATOM 0 H LEU A 65 2.030 -5.822 1.475 1.00 0.00 H new ATOM 0 HA LEU A 65 1.451 -7.410 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.009 -8.819 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.092 -7.526 1.811 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.609 -7.693 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.651 -9.642 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.255 -8.584 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.031 -10.111 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.541 -9.901 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.944 -10.328 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.864 -8.976 2.131 1.00 0.00 H new ATOM 1003 N LEU A 66 -0.143 -4.891 0.537 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.228 -3.937 0.369 1.00 0.00 C ATOM 1005 C LEU A 66 -0.862 -2.636 1.059 1.00 0.00 C ATOM 1006 O LEU A 66 -0.308 -2.658 2.163 1.00 0.00 O ATOM 1007 CB LEU A 66 -2.467 -4.561 1.049 1.00 0.00 C ATOM 1008 CG LEU A 66 -3.849 -4.214 0.482 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -3.971 -4.603 -0.987 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -4.903 -5.010 1.266 1.00 0.00 C ATOM 0 H LEU A 66 0.386 -4.774 1.401 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.421 -3.726 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.355 -5.645 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.454 -4.270 2.099 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.994 -3.137 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.964 -4.341 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.219 -4.070 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.817 -5.677 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.896 -4.779 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.710 -6.077 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.853 -4.740 2.321 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.222 -1.512 0.454 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.150 -0.196 1.067 1.00 0.00 C ATOM 1024 C GLU A 67 -2.570 0.338 1.063 1.00 0.00 C ATOM 1025 O GLU A 67 -3.316 0.103 0.110 1.00 0.00 O ATOM 1026 CB GLU A 67 -0.182 0.721 0.309 1.00 0.00 C ATOM 1027 CG GLU A 67 0.145 1.986 1.118 1.00 0.00 C ATOM 1028 CD GLU A 67 1.033 3.003 0.384 1.00 0.00 C ATOM 1029 OE1 GLU A 67 1.851 2.614 -0.481 1.00 0.00 O ATOM 1030 OE2 GLU A 67 0.910 4.211 0.698 1.00 0.00 O ATOM 0 H GLU A 67 -1.581 -1.492 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.758 -0.245 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.738 0.179 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.621 1.003 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.789 2.474 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.641 1.692 2.043 1.00 0.00 H new ATOM 1037 N LEU A 68 -2.947 1.040 2.128 1.00 0.00 N ATOM 1038 CA LEU A 68 -4.315 1.453 2.402 1.00 0.00 C ATOM 1039 C LEU A 68 -4.311 2.959 2.616 1.00 0.00 C ATOM 1040 O LEU A 68 -3.322 3.509 3.102 1.00 0.00 O ATOM 1041 CB LEU A 68 -4.837 0.742 3.671 1.00 0.00 C ATOM 1042 CG LEU A 68 -4.696 -0.792 3.702 1.00 0.00 C ATOM 1043 CD1 LEU A 68 -5.225 -1.347 5.028 1.00 0.00 C ATOM 1044 CD2 LEU A 68 -5.430 -1.463 2.544 1.00 0.00 C ATOM 0 H LEU A 68 -2.287 1.345 2.844 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.966 1.188 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.311 1.151 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.891 0.991 3.793 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.634 -1.016 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.119 -2.432 5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.656 -0.921 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.277 -1.084 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.301 -2.543 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.491 -1.220 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.022 -1.105 1.599 1.00 0.00 H new ATOM 1056 N SER A 69 -5.420 3.630 2.333 1.00 0.00 N ATOM 1057 CA SER A 69 -5.590 5.031 2.696 1.00 0.00 C ATOM 1058 C SER A 69 -5.675 5.199 4.224 1.00 0.00 C ATOM 1059 O SER A 69 -5.306 6.253 4.743 1.00 0.00 O ATOM 1060 CB SER A 69 -6.824 5.584 1.977 1.00 0.00 C ATOM 1061 OG SER A 69 -6.746 5.306 0.586 1.00 0.00 O ATOM 0 H SER A 69 -6.221 3.223 1.850 1.00 0.00 H new ATOM 0 HA SER A 69 -4.720 5.605 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.727 5.139 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.896 6.660 2.137 1.00 0.00 H new ATOM 0 HG SER A 69 -7.540 5.662 0.136 1.00 0.00 H new ATOM 1067 N ASN A 70 -6.081 4.142 4.954 1.00 0.00 N ATOM 1068 CA ASN A 70 -6.052 4.080 6.424 1.00 0.00 C ATOM 1069 C ASN A 70 -4.678 4.500 6.957 1.00 0.00 C ATOM 1070 O ASN A 70 -4.594 5.291 7.898 1.00 0.00 O ATOM 1071 CB ASN A 70 -6.409 2.656 6.906 1.00 0.00 C ATOM 1072 CG ASN A 70 -6.349 2.491 8.430 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -5.311 2.656 9.061 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -7.436 2.096 9.065 1.00 0.00 N ATOM 0 H ASN A 70 -6.446 3.291 4.527 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.795 4.776 6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.412 2.405 6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.726 1.943 6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.407 1.931 10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.305 1.956 8.550 1.00 0.00 H new ATOM 1081 N SER A 71 -3.614 4.002 6.321 1.00 0.00 N ATOM 1082 CA SER A 71 -2.236 4.164 6.765 1.00 0.00 C ATOM 1083 C SER A 71 -1.780 5.633 6.812 1.00 0.00 C ATOM 1084 O SER A 71 -0.800 5.945 7.492 1.00 0.00 O ATOM 1085 CB SER A 71 -1.280 3.356 5.865 1.00 0.00 C ATOM 1086 OG SER A 71 -1.953 2.398 5.055 1.00 0.00 O ATOM 0 H SER A 71 -3.695 3.461 5.460 1.00 0.00 H new ATOM 0 HA SER A 71 -2.201 3.784 7.786 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.728 4.042 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.548 2.845 6.490 1.00 0.00 H new ATOM 0 HG SER A 71 -2.174 2.800 4.189 1.00 0.00 H new ATOM 1092 N THR A 72 -2.471 6.528 6.099 1.00 0.00 N ATOM 1093 CA THR A 72 -2.056 7.908 5.861 1.00 0.00 C ATOM 1094 C THR A 72 -3.181 8.906 6.202 1.00 0.00 C ATOM 1095 O THR A 72 -3.179 10.041 5.717 1.00 0.00 O ATOM 1096 CB THR A 72 -1.512 8.016 4.417 1.00 0.00 C ATOM 1097 OG1 THR A 72 -2.282 7.253 3.498 1.00 0.00 O ATOM 1098 CG2 THR A 72 -0.080 7.474 4.327 1.00 0.00 C ATOM 0 H THR A 72 -3.363 6.301 5.659 1.00 0.00 H new ATOM 0 HA THR A 72 -1.245 8.187 6.534 1.00 0.00 H new ATOM 0 HB THR A 72 -1.556 9.076 4.165 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.522 7.812 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.278 7.562 3.301 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.569 8.048 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.068 6.426 4.627 1.00 0.00 H new ATOM 1106 N GLN A 73 -4.145 8.492 7.038 1.00 0.00 N ATOM 1107 CA GLN A 73 -5.148 9.382 7.621 1.00 0.00 C ATOM 1108 C GLN A 73 -4.448 10.540 8.335 1.00 0.00 C ATOM 1109 O GLN A 73 -3.478 10.296 9.086 1.00 0.00 O ATOM 1110 CB GLN A 73 -6.045 8.608 8.602 1.00 0.00 C ATOM 1111 CG GLN A 73 -7.013 7.644 7.901 1.00 0.00 C ATOM 1112 CD GLN A 73 -7.704 6.722 8.910 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -8.868 6.907 9.260 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -7.000 5.718 9.408 1.00 0.00 N ATOM 1115 OXT GLN A 73 -4.881 11.697 8.161 1.00 0.00 O ATOM 0 H GLN A 73 -4.247 7.520 7.328 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.779 9.782 6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.417 8.045 9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.617 9.318 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.763 8.213 7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.469 7.045 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.035 5.574 9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.422 5.088 10.090 1.00 0.00 H new TER 1124 GLN A 73 HETATM 1125 C11 BTI A 135 3.684 -28.564 -5.551 1.00 0.00 C HETATM 1126 O11 BTI A 135 3.307 -29.725 -5.712 1.00 0.00 O HETATM 1127 C10 BTI A 135 3.170 -27.453 -6.468 1.00 0.00 C HETATM 1128 C9 BTI A 135 1.670 -27.183 -6.298 1.00 0.00 C HETATM 1129 C8 BTI A 135 1.300 -26.797 -4.859 1.00 0.00 C HETATM 1130 C7 BTI A 135 -0.127 -26.240 -4.789 1.00 0.00 C HETATM 1131 C2 BTI A 135 -0.554 -25.995 -3.334 1.00 0.00 C HETATM 1132 S1 BTI A 135 -0.942 -27.464 -2.362 1.00 0.00 S HETATM 1133 C6 BTI A 135 -1.700 -26.396 -1.128 1.00 0.00 C HETATM 1134 C5 BTI A 135 -2.415 -25.245 -1.850 1.00 0.00 C HETATM 1135 N3 BTI A 135 -3.762 -25.620 -2.241 1.00 0.00 N HETATM 1136 C3 BTI A 135 -3.988 -25.714 -3.555 1.00 0.00 C HETATM 1137 O3 BTI A 135 -5.038 -26.020 -4.117 1.00 0.00 O HETATM 1138 N2 BTI A 135 -2.828 -25.372 -4.124 1.00 0.00 N HETATM 1139 C4 BTI A 135 -1.752 -25.035 -3.211 1.00 0.00 C HETATM 0 H103 BTI A 135 3.724 -26.536 -6.265 1.00 0.00 H new HETATM 0 H102 BTI A 135 3.370 -27.723 -7.505 1.00 0.00 H new HETATM 0 HN3 BTI A 135 -4.493 -25.801 -1.553 1.00 0.00 H new HETATM 0 HN2 BTI A 135 -2.707 -25.349 -5.137 1.00 0.00 H new HETATM 0 H93 BTI A 135 1.370 -26.382 -6.974 1.00 0.00 H new HETATM 0 H92 BTI A 135 1.109 -28.072 -6.588 1.00 0.00 H new HETATM 0 H83 BTI A 135 1.386 -27.669 -4.211 1.00 0.00 H new HETATM 0 H82 BTI A 135 2.003 -26.053 -4.486 1.00 0.00 H new HETATM 0 H73 BTI A 135 -0.185 -25.307 -5.350 1.00 0.00 H new HETATM 0 H72 BTI A 135 -0.817 -26.939 -5.261 1.00 0.00 H new HETATM 0 H63 BTI A 135 -2.409 -26.961 -0.522 1.00 0.00 H new HETATM 0 H62 BTI A 135 -0.942 -26.004 -0.450 1.00 0.00 H new HETATM 0 H5 BTI A 135 -2.387 -24.391 -1.173 1.00 0.00 H new HETATM 0 H4 BTI A 135 -1.353 -24.037 -3.393 1.00 0.00 H new HETATM 0 H2 BTI A 135 0.351 -25.551 -2.918 1.00 0.00 H new