USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 LYS NZ :NH3+ 152:sc= -3 (180deg=-3.01) USER MOD Set 1.2: A 84 TYR OH : rot 132:sc= -3.02 USER MOD Set 2.1: A 44 ASN : amide:sc= -0.252 X(o=-0.33,f=-0.082) USER MOD Set 2.2: A 49 CYS SG : rot 67:sc= -0.0784 USER MOD Set 3.1: A 31 THR OG1 : rot 169:sc= 1.22 USER MOD Set 3.2: A 80 LYS NZ :NH3+ -179:sc= 1.21 (180deg=0.0997) USER MOD Single : A 1 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 1 HIS N :NH3+ -164:sc= 0 (180deg=-0.161) USER MOD Single : A 2 SER OG : rot 37:sc= 1.02 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.083 K(o=-0.083,f=-2.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 23 THR OG1 : rot 160:sc= -1.73! USER MOD Single : A 27 SER OG : rot -32:sc= 0.302 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -103:sc= -3.36! USER MOD Single : A 35 SER OG : rot 83:sc= -1.28 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.79! F(o=-2.9,f=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.102 K(o=-0.1,f=-0.94) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 61 HIS : no HD1:sc= -0.886 X(o=-0.89,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.1!) USER MOD Single : A 73 HIS : no HE2:sc= -10.9! C(o=-11!,f=-13!) USER MOD Single : A 76 SER OG : rot 83:sc= 1.33 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 66:sc= 1.39 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -178:sc= -0.835 USER MOD Single : A 104 LYS NZ :NH3+ -128:sc= 0.63 (180deg=0.0113) USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= -0.122 (180deg=-0.611) USER MOD Single : A 107 SER OG : rot 180:sc= 0.145 USER MOD Single : A 108 GLN : amide:sc=-0.00422 X(o=-0.0042,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 7.622 -19.624 4.550 1.00 0.00 N ATOM 2 CA HIS A 1 7.513 -18.428 3.675 1.00 0.00 C ATOM 3 C HIS A 1 6.150 -17.759 3.822 1.00 0.00 C ATOM 4 O HIS A 1 5.117 -18.429 3.841 1.00 0.00 O ATOM 5 CB HIS A 1 7.732 -18.863 2.226 1.00 0.00 C ATOM 6 CG HIS A 1 9.014 -19.607 2.011 1.00 0.00 C ATOM 7 ND1 HIS A 1 9.062 -20.950 1.703 1.00 0.00 N ATOM 8 CD2 HIS A 1 10.301 -19.188 2.061 1.00 0.00 C ATOM 9 CE1 HIS A 1 10.322 -21.326 1.572 1.00 0.00 C ATOM 10 NE2 HIS A 1 11.093 -20.275 1.784 1.00 0.00 N ATOM 0 H1 HIS A 1 8.621 -19.898 4.641 1.00 0.00 H new ATOM 0 H2 HIS A 1 7.237 -19.402 5.490 1.00 0.00 H new ATOM 0 H3 HIS A 1 7.084 -20.410 4.132 1.00 0.00 H new ATOM 0 HA HIS A 1 8.270 -17.700 3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 1 6.899 -19.493 1.915 1.00 0.00 H new ATOM 0 HB3 HIS A 1 7.721 -17.981 1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 1 10.641 -18.186 2.278 1.00 0.00 H new ATOM 0 HE1 HIS A 1 10.663 -22.322 1.333 1.00 0.00 H new ATOM 0 HE2 HIS A 1 12.112 -20.271 1.748 1.00 0.00 H new ATOM 21 N SER A 2 6.153 -16.434 3.926 1.00 0.00 N ATOM 22 CA SER A 2 4.916 -15.676 4.071 1.00 0.00 C ATOM 23 C SER A 2 5.110 -14.227 3.635 1.00 0.00 C ATOM 24 O SER A 2 5.748 -13.439 4.332 1.00 0.00 O ATOM 25 CB SER A 2 4.431 -15.725 5.521 1.00 0.00 C ATOM 26 OG SER A 2 5.325 -15.039 6.382 1.00 0.00 O ATOM 0 H SER A 2 6.998 -15.863 3.913 1.00 0.00 H new ATOM 0 HA SER A 2 4.163 -16.131 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.439 -15.279 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.337 -16.763 5.841 1.00 0.00 H new ATOM 0 HG SER A 2 5.678 -14.248 5.924 1.00 0.00 H new ATOM 32 N VAL A 3 4.555 -13.883 2.476 1.00 0.00 N ATOM 33 CA VAL A 3 4.667 -12.530 1.946 1.00 0.00 C ATOM 34 C VAL A 3 3.562 -12.247 0.927 1.00 0.00 C ATOM 35 O VAL A 3 3.642 -12.681 -0.222 1.00 0.00 O ATOM 36 CB VAL A 3 6.041 -12.298 1.285 1.00 0.00 C ATOM 37 CG1 VAL A 3 6.261 -13.280 0.144 1.00 0.00 C ATOM 38 CG2 VAL A 3 6.168 -10.862 0.796 1.00 0.00 C ATOM 0 H VAL A 3 4.023 -14.524 1.887 1.00 0.00 H new ATOM 0 HA VAL A 3 4.561 -11.847 2.789 1.00 0.00 H new ATOM 0 HB VAL A 3 6.814 -12.470 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.236 -13.099 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.223 -14.299 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.482 -13.146 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.145 -10.720 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.387 -10.656 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.064 -10.180 1.640 1.00 0.00 H new ATOM 48 N PRO A 4 2.510 -11.513 1.335 1.00 0.00 N ATOM 49 CA PRO A 4 1.390 -11.180 0.449 1.00 0.00 C ATOM 50 C PRO A 4 1.807 -10.242 -0.678 1.00 0.00 C ATOM 51 O PRO A 4 2.950 -9.789 -0.733 1.00 0.00 O ATOM 52 CB PRO A 4 0.377 -10.485 1.373 1.00 0.00 C ATOM 53 CG PRO A 4 0.836 -10.777 2.763 1.00 0.00 C ATOM 54 CD PRO A 4 2.323 -10.956 2.682 1.00 0.00 C ATOM 0 HA PRO A 4 0.991 -12.067 -0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.349 -9.411 1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.631 -10.864 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.578 -9.961 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.356 -11.675 3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 4 2.852 -10.011 2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.692 -11.631 3.454 1.00 0.00 H new ATOM 62 N GLU A 5 0.871 -9.953 -1.576 1.00 0.00 N ATOM 63 CA GLU A 5 1.140 -9.068 -2.703 1.00 0.00 C ATOM 64 C GLU A 5 -0.120 -8.326 -3.126 1.00 0.00 C ATOM 65 O GLU A 5 -0.197 -7.101 -3.038 1.00 0.00 O ATOM 66 CB GLU A 5 1.703 -9.865 -3.882 1.00 0.00 C ATOM 67 CG GLU A 5 2.974 -9.269 -4.465 1.00 0.00 C ATOM 68 CD GLU A 5 2.931 -9.165 -5.977 1.00 0.00 C ATOM 69 OE1 GLU A 5 1.823 -9.000 -6.529 1.00 0.00 O ATOM 70 OE2 GLU A 5 4.006 -9.247 -6.608 1.00 0.00 O ATOM 0 H GLU A 5 -0.081 -10.319 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 5 1.880 -8.333 -2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.906 -10.885 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.947 -9.924 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.133 -8.278 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.826 -9.882 -4.171 1.00 0.00 H new ATOM 77 N SER A 6 -1.099 -9.084 -3.583 1.00 0.00 N ATOM 78 CA SER A 6 -2.369 -8.521 -4.028 1.00 0.00 C ATOM 79 C SER A 6 -3.169 -7.981 -2.847 1.00 0.00 C ATOM 80 O SER A 6 -2.848 -8.255 -1.691 1.00 0.00 O ATOM 81 CB SER A 6 -3.187 -9.577 -4.772 1.00 0.00 C ATOM 82 OG SER A 6 -2.473 -10.084 -5.887 1.00 0.00 O ATOM 0 H SER A 6 -1.042 -10.100 -3.658 1.00 0.00 H new ATOM 0 HA SER A 6 -2.153 -7.695 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.436 -10.393 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.129 -9.143 -5.107 1.00 0.00 H new ATOM 0 HG SER A 6 -3.017 -10.759 -6.345 1.00 0.00 H new ATOM 88 N ILE A 7 -4.211 -7.211 -3.145 1.00 0.00 N ATOM 89 CA ILE A 7 -5.054 -6.633 -2.107 1.00 0.00 C ATOM 90 C ILE A 7 -6.532 -6.840 -2.425 1.00 0.00 C ATOM 91 O ILE A 7 -6.932 -6.840 -3.588 1.00 0.00 O ATOM 92 CB ILE A 7 -4.773 -5.126 -1.941 1.00 0.00 C ATOM 93 CG1 ILE A 7 -3.314 -4.897 -1.536 1.00 0.00 C ATOM 94 CG2 ILE A 7 -5.715 -4.507 -0.918 1.00 0.00 C ATOM 95 CD1 ILE A 7 -2.513 -4.126 -2.562 1.00 0.00 C ATOM 0 H ILE A 7 -4.491 -6.974 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.816 -7.143 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.948 -4.639 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.289 -4.358 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.837 -5.862 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.497 -3.444 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.746 -4.637 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.578 -4.997 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.490 -4.002 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.506 -4.673 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.965 -3.146 -2.715 1.00 0.00 H new ATOM 107 N ARG A 8 -7.338 -7.015 -1.382 1.00 0.00 N ATOM 108 CA ARG A 8 -8.773 -7.221 -1.551 1.00 0.00 C ATOM 109 C ARG A 8 -9.535 -6.778 -0.307 1.00 0.00 C ATOM 110 O ARG A 8 -9.597 -7.503 0.687 1.00 0.00 O ATOM 111 CB ARG A 8 -9.069 -8.692 -1.847 1.00 0.00 C ATOM 112 CG ARG A 8 -10.498 -8.944 -2.300 1.00 0.00 C ATOM 113 CD ARG A 8 -10.546 -9.855 -3.516 1.00 0.00 C ATOM 114 NE ARG A 8 -11.846 -9.813 -4.181 1.00 0.00 N ATOM 115 CZ ARG A 8 -12.913 -10.490 -3.766 1.00 0.00 C ATOM 116 NH1 ARG A 8 -12.842 -11.260 -2.687 1.00 0.00 N ATOM 117 NH2 ARG A 8 -14.056 -10.396 -4.431 1.00 0.00 N ATOM 0 H ARG A 8 -7.023 -7.018 -0.412 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.104 -6.615 -2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.384 -9.044 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.871 -9.282 -0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.065 -9.394 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.978 -7.995 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.769 -9.560 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.328 -10.878 -3.211 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.941 -9.230 -5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.965 -11.335 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.664 -11.777 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.117 -9.805 -5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.875 -10.915 -4.114 1.00 0.00 H new ATOM 131 N PHE A 9 -10.116 -5.585 -0.369 1.00 0.00 N ATOM 132 CA PHE A 9 -10.877 -5.044 0.750 1.00 0.00 C ATOM 133 C PHE A 9 -12.281 -4.646 0.306 1.00 0.00 C ATOM 134 O PHE A 9 -12.607 -3.461 0.227 1.00 0.00 O ATOM 135 CB PHE A 9 -10.153 -3.834 1.347 1.00 0.00 C ATOM 136 CG PHE A 9 -9.832 -2.771 0.337 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.834 -2.972 -0.602 1.00 0.00 C ATOM 138 CD2 PHE A 9 -10.528 -1.573 0.325 1.00 0.00 C ATOM 139 CE1 PHE A 9 -8.534 -1.999 -1.535 1.00 0.00 C ATOM 140 CE2 PHE A 9 -10.233 -0.595 -0.606 1.00 0.00 C ATOM 141 CZ PHE A 9 -9.235 -0.808 -1.537 1.00 0.00 C ATOM 0 H PHE A 9 -10.074 -4.973 -1.184 1.00 0.00 H new ATOM 0 HA PHE A 9 -10.962 -5.819 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.772 -3.402 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.228 -4.169 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.284 -3.901 -0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -11.309 -1.402 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.753 -2.168 -2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.782 0.335 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.003 -0.045 -2.265 1.00 0.00 H new ATOM 151 N GLY A 10 -13.107 -5.645 0.012 1.00 0.00 N ATOM 152 CA GLY A 10 -14.465 -5.379 -0.425 1.00 0.00 C ATOM 153 C GLY A 10 -14.581 -5.297 -1.936 1.00 0.00 C ATOM 154 O GLY A 10 -13.737 -5.831 -2.654 1.00 0.00 O ATOM 0 H GLY A 10 -12.860 -6.633 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.123 -6.165 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.808 -4.442 0.014 1.00 0.00 H new ATOM 158 N PRO A 11 -15.626 -4.628 -2.452 1.00 0.00 N ATOM 159 CA PRO A 11 -15.837 -4.485 -3.896 1.00 0.00 C ATOM 160 C PRO A 11 -14.627 -3.883 -4.605 1.00 0.00 C ATOM 161 O PRO A 11 -14.451 -4.063 -5.811 1.00 0.00 O ATOM 162 CB PRO A 11 -17.038 -3.540 -3.993 1.00 0.00 C ATOM 163 CG PRO A 11 -17.749 -3.689 -2.693 1.00 0.00 C ATOM 164 CD PRO A 11 -16.682 -3.960 -1.670 1.00 0.00 C ATOM 0 HA PRO A 11 -15.998 -5.449 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.718 -2.510 -4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.684 -3.807 -4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -18.306 -2.785 -2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.469 -4.506 -2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.322 -3.039 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.049 -4.596 -0.864 1.00 0.00 H new ATOM 172 N ASN A 12 -13.795 -3.167 -3.854 1.00 0.00 N ATOM 173 CA ASN A 12 -12.605 -2.541 -4.419 1.00 0.00 C ATOM 174 C ASN A 12 -11.404 -3.480 -4.352 1.00 0.00 C ATOM 175 O ASN A 12 -11.319 -4.336 -3.471 1.00 0.00 O ATOM 176 CB ASN A 12 -12.286 -1.238 -3.684 1.00 0.00 C ATOM 177 CG ASN A 12 -13.134 -0.077 -4.168 1.00 0.00 C ATOM 178 OD1 ASN A 12 -13.647 -0.092 -5.287 1.00 0.00 O ATOM 179 ND2 ASN A 12 -13.283 0.938 -3.325 1.00 0.00 N ATOM 0 H ASN A 12 -13.923 -3.006 -2.855 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.811 -2.320 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.445 -1.379 -2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.232 -0.996 -3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.841 1.748 -3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.839 0.908 -2.407 1.00 0.00 H new ATOM 186 N VAL A 13 -10.478 -3.308 -5.289 1.00 0.00 N ATOM 187 CA VAL A 13 -9.276 -4.132 -5.344 1.00 0.00 C ATOM 188 C VAL A 13 -8.037 -3.266 -5.547 1.00 0.00 C ATOM 189 O VAL A 13 -8.137 -2.120 -5.986 1.00 0.00 O ATOM 190 CB VAL A 13 -9.360 -5.169 -6.481 1.00 0.00 C ATOM 191 CG1 VAL A 13 -8.226 -6.177 -6.375 1.00 0.00 C ATOM 192 CG2 VAL A 13 -10.709 -5.872 -6.465 1.00 0.00 C ATOM 0 H VAL A 13 -10.537 -2.603 -6.023 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.200 -4.658 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.259 -4.644 -7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.304 -6.900 -7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.270 -5.658 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.290 -6.697 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.749 -6.600 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.842 -6.382 -5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.504 -5.138 -6.597 1.00 0.00 H new ATOM 202 N PHE A 14 -6.868 -3.814 -5.225 1.00 0.00 N ATOM 203 CA PHE A 14 -5.619 -3.078 -5.377 1.00 0.00 C ATOM 204 C PHE A 14 -4.493 -4.001 -5.831 1.00 0.00 C ATOM 205 O PHE A 14 -4.260 -5.053 -5.235 1.00 0.00 O ATOM 206 CB PHE A 14 -5.241 -2.401 -4.058 1.00 0.00 C ATOM 207 CG PHE A 14 -4.645 -1.033 -4.229 1.00 0.00 C ATOM 208 CD1 PHE A 14 -5.457 0.084 -4.331 1.00 0.00 C ATOM 209 CD2 PHE A 14 -3.271 -0.866 -4.282 1.00 0.00 C ATOM 210 CE1 PHE A 14 -4.909 1.344 -4.484 1.00 0.00 C ATOM 211 CE2 PHE A 14 -2.717 0.390 -4.434 1.00 0.00 C ATOM 212 CZ PHE A 14 -3.537 1.496 -4.535 1.00 0.00 C ATOM 0 H PHE A 14 -6.761 -4.760 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.766 -2.315 -6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.130 -2.324 -3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.530 -3.033 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.530 -0.030 -4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.625 -1.728 -4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.552 2.208 -4.563 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.644 0.507 -4.474 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.106 2.479 -4.654 1.00 0.00 H new ATOM 222 N TYR A 15 -3.797 -3.599 -6.889 1.00 0.00 N ATOM 223 CA TYR A 15 -2.695 -4.388 -7.424 1.00 0.00 C ATOM 224 C TYR A 15 -1.359 -3.701 -7.162 1.00 0.00 C ATOM 225 O TYR A 15 -1.049 -2.672 -7.762 1.00 0.00 O ATOM 226 CB TYR A 15 -2.882 -4.613 -8.924 1.00 0.00 C ATOM 227 CG TYR A 15 -4.118 -5.414 -9.268 1.00 0.00 C ATOM 228 CD1 TYR A 15 -5.375 -4.823 -9.265 1.00 0.00 C ATOM 229 CD2 TYR A 15 -4.027 -6.761 -9.596 1.00 0.00 C ATOM 230 CE1 TYR A 15 -6.507 -5.551 -9.577 1.00 0.00 C ATOM 231 CE2 TYR A 15 -5.155 -7.496 -9.911 1.00 0.00 C ATOM 232 CZ TYR A 15 -6.391 -6.887 -9.900 1.00 0.00 C ATOM 233 OH TYR A 15 -7.516 -7.615 -10.212 1.00 0.00 O ATOM 0 H TYR A 15 -3.977 -2.731 -7.393 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.692 -5.354 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.936 -3.646 -9.424 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.005 -5.127 -9.318 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.469 -3.777 -9.015 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.060 -7.242 -9.605 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.477 -5.077 -9.568 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.068 -8.542 -10.164 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.261 -8.539 -10.417 1.00 0.00 H new ATOM 243 N VAL A 16 -0.572 -4.279 -6.260 1.00 0.00 N ATOM 244 CA VAL A 16 0.733 -3.728 -5.911 1.00 0.00 C ATOM 245 C VAL A 16 1.616 -3.547 -7.143 1.00 0.00 C ATOM 246 O VAL A 16 2.547 -2.743 -7.137 1.00 0.00 O ATOM 247 CB VAL A 16 1.468 -4.626 -4.896 1.00 0.00 C ATOM 248 CG1 VAL A 16 0.934 -4.392 -3.492 1.00 0.00 C ATOM 249 CG2 VAL A 16 1.341 -6.092 -5.284 1.00 0.00 C ATOM 0 H VAL A 16 -0.816 -5.132 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 16 0.547 -2.753 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 16 2.526 -4.363 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.465 -5.034 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.084 -3.349 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.130 -4.625 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.867 -6.708 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.288 -6.373 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.777 -6.246 -6.271 1.00 0.00 H new ATOM 259 N LEU A 17 1.321 -4.301 -8.199 1.00 0.00 N ATOM 260 CA LEU A 17 2.095 -4.219 -9.432 1.00 0.00 C ATOM 261 C LEU A 17 1.352 -3.415 -10.496 1.00 0.00 C ATOM 262 O LEU A 17 1.938 -2.562 -11.163 1.00 0.00 O ATOM 263 CB LEU A 17 2.401 -5.622 -9.960 1.00 0.00 C ATOM 264 CG LEU A 17 3.083 -6.557 -8.961 1.00 0.00 C ATOM 265 CD1 LEU A 17 2.842 -8.010 -9.340 1.00 0.00 C ATOM 266 CD2 LEU A 17 4.574 -6.264 -8.889 1.00 0.00 C ATOM 0 H LEU A 17 0.554 -4.973 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 17 3.031 -3.708 -9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.468 -6.082 -10.286 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.036 -5.531 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 17 2.650 -6.383 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.335 -8.661 -8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.771 -8.213 -9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.247 -8.199 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.043 -6.939 -8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.021 -6.410 -9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.727 -5.233 -8.570 1.00 0.00 H new ATOM 278 N LYS A 18 0.062 -3.694 -10.653 1.00 0.00 N ATOM 279 CA LYS A 18 -0.755 -2.999 -11.641 1.00 0.00 C ATOM 280 C LYS A 18 -0.934 -1.528 -11.274 1.00 0.00 C ATOM 281 O LYS A 18 -0.918 -0.658 -12.145 1.00 0.00 O ATOM 282 CB LYS A 18 -2.120 -3.679 -11.774 1.00 0.00 C ATOM 283 CG LYS A 18 -2.536 -3.927 -13.215 1.00 0.00 C ATOM 284 CD LYS A 18 -3.026 -5.352 -13.419 1.00 0.00 C ATOM 285 CE LYS A 18 -2.726 -5.848 -14.824 1.00 0.00 C ATOM 286 NZ LYS A 18 -3.181 -7.251 -15.028 1.00 0.00 N ATOM 0 H LYS A 18 -0.440 -4.396 -10.109 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.238 -3.048 -12.599 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.097 -4.630 -11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.874 -3.060 -11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.325 -3.227 -13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.691 -3.734 -13.876 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.551 -6.009 -12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.100 -5.398 -13.237 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.215 -5.199 -15.550 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.654 -5.784 -15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.958 -7.551 -15.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.695 -7.875 -14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.208 -7.308 -14.876 1.00 0.00 H new ATOM 300 N LEU A 19 -1.104 -1.255 -9.983 1.00 0.00 N ATOM 301 CA LEU A 19 -1.286 0.112 -9.509 1.00 0.00 C ATOM 302 C LEU A 19 -2.575 0.712 -10.063 1.00 0.00 C ATOM 303 O LEU A 19 -2.621 1.888 -10.425 1.00 0.00 O ATOM 304 CB LEU A 19 -0.088 0.978 -9.910 1.00 0.00 C ATOM 305 CG LEU A 19 1.270 0.466 -9.425 1.00 0.00 C ATOM 306 CD1 LEU A 19 2.402 1.146 -10.181 1.00 0.00 C ATOM 307 CD2 LEU A 19 1.415 0.687 -7.927 1.00 0.00 C ATOM 0 H LEU A 19 -1.119 -1.962 -9.248 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.357 0.088 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.063 1.056 -10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.240 1.985 -9.521 1.00 0.00 H new ATOM 0 HG LEU A 19 1.326 -0.605 -9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.359 0.768 -9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.306 0.935 -11.246 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.353 2.223 -10.018 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.386 0.318 -7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.338 1.752 -7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.625 0.150 -7.402 1.00 0.00 H new ATOM 319 N THR A 20 -3.620 -0.107 -10.126 1.00 0.00 N ATOM 320 CA THR A 20 -4.912 0.338 -10.634 1.00 0.00 C ATOM 321 C THR A 20 -6.052 -0.309 -9.854 1.00 0.00 C ATOM 322 O THR A 20 -6.273 -1.517 -9.946 1.00 0.00 O ATOM 323 CB THR A 20 -5.042 0.002 -12.120 1.00 0.00 C ATOM 324 OG1 THR A 20 -3.840 0.298 -12.808 1.00 0.00 O ATOM 325 CG2 THR A 20 -6.161 0.752 -12.809 1.00 0.00 C ATOM 0 H THR A 20 -3.597 -1.083 -9.831 1.00 0.00 H new ATOM 0 HA THR A 20 -4.973 1.419 -10.506 1.00 0.00 H new ATOM 0 HB THR A 20 -5.266 -1.064 -12.155 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.943 0.075 -13.757 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.197 0.466 -13.860 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.111 0.506 -12.333 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.983 1.824 -12.730 1.00 0.00 H new ATOM 333 N VAL A 21 -6.772 0.501 -9.085 1.00 0.00 N ATOM 334 CA VAL A 21 -7.888 0.005 -8.289 1.00 0.00 C ATOM 335 C VAL A 21 -9.059 -0.402 -9.176 1.00 0.00 C ATOM 336 O VAL A 21 -9.580 0.407 -9.944 1.00 0.00 O ATOM 337 CB VAL A 21 -8.370 1.059 -7.275 1.00 0.00 C ATOM 338 CG1 VAL A 21 -9.396 0.457 -6.327 1.00 0.00 C ATOM 339 CG2 VAL A 21 -7.194 1.635 -6.502 1.00 0.00 C ATOM 0 H VAL A 21 -6.603 1.503 -8.996 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.524 -0.868 -7.748 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.847 1.871 -7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.725 1.216 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.252 0.098 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.947 -0.375 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.555 2.378 -5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.685 0.835 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.498 2.106 -7.196 1.00 0.00 H new ATOM 349 N GLU A 22 -9.470 -1.661 -9.065 1.00 0.00 N ATOM 350 CA GLU A 22 -10.581 -2.175 -9.858 1.00 0.00 C ATOM 351 C GLU A 22 -11.917 -1.829 -9.209 1.00 0.00 C ATOM 352 O GLU A 22 -12.379 -2.525 -8.305 1.00 0.00 O ATOM 353 CB GLU A 22 -10.460 -3.691 -10.023 1.00 0.00 C ATOM 354 CG GLU A 22 -11.039 -4.209 -11.330 1.00 0.00 C ATOM 355 CD GLU A 22 -10.101 -5.157 -12.050 1.00 0.00 C ATOM 356 OE1 GLU A 22 -8.998 -4.719 -12.439 1.00 0.00 O ATOM 357 OE2 GLU A 22 -10.469 -6.338 -12.225 1.00 0.00 O ATOM 0 H GLU A 22 -9.051 -2.344 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.541 -1.705 -10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.408 -3.972 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.967 -4.180 -9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.981 -4.720 -11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.267 -3.365 -11.981 1.00 0.00 H new ATOM 364 N THR A 23 -12.534 -0.749 -9.677 1.00 0.00 N ATOM 365 CA THR A 23 -13.818 -0.310 -9.143 1.00 0.00 C ATOM 366 C THR A 23 -14.973 -0.984 -9.879 1.00 0.00 C ATOM 367 O THR A 23 -14.784 -1.567 -10.946 1.00 0.00 O ATOM 368 CB THR A 23 -13.946 1.211 -9.250 1.00 0.00 C ATOM 369 OG1 THR A 23 -13.236 1.696 -10.375 1.00 0.00 O ATOM 370 CG2 THR A 23 -13.430 1.942 -8.030 1.00 0.00 C ATOM 0 H THR A 23 -12.165 -0.162 -10.425 1.00 0.00 H new ATOM 0 HA THR A 23 -13.864 -0.598 -8.093 1.00 0.00 H new ATOM 0 HB THR A 23 -15.014 1.405 -9.344 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.574 2.583 -10.618 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.550 3.016 -8.171 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.993 1.626 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.374 1.711 -7.887 1.00 0.00 H new ATOM 378 N PRO A 24 -16.191 -0.912 -9.314 1.00 0.00 N ATOM 379 CA PRO A 24 -17.381 -1.516 -9.919 1.00 0.00 C ATOM 380 C PRO A 24 -17.551 -1.129 -11.384 1.00 0.00 C ATOM 381 O PRO A 24 -17.986 -1.938 -12.204 1.00 0.00 O ATOM 382 CB PRO A 24 -18.525 -0.948 -9.079 1.00 0.00 C ATOM 383 CG PRO A 24 -17.916 -0.658 -7.756 1.00 0.00 C ATOM 384 CD PRO A 24 -16.504 -0.235 -8.041 1.00 0.00 C ATOM 0 HA PRO A 24 -17.331 -2.605 -9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.938 -0.046 -9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.343 -1.663 -8.990 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.463 0.129 -7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.939 -1.538 -7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.420 0.848 -8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.825 -0.542 -7.246 1.00 0.00 H new ATOM 392 N GLU A 25 -17.204 0.113 -11.708 1.00 0.00 N ATOM 393 CA GLU A 25 -17.319 0.608 -13.075 1.00 0.00 C ATOM 394 C GLU A 25 -16.295 -0.065 -13.985 1.00 0.00 C ATOM 395 O GLU A 25 -16.637 -0.571 -15.054 1.00 0.00 O ATOM 396 CB GLU A 25 -17.131 2.126 -13.108 1.00 0.00 C ATOM 397 CG GLU A 25 -18.201 2.855 -13.904 1.00 0.00 C ATOM 398 CD GLU A 25 -18.670 4.125 -13.223 1.00 0.00 C ATOM 399 OE1 GLU A 25 -19.428 4.024 -12.235 1.00 0.00 O ATOM 400 OE2 GLU A 25 -18.279 5.222 -13.676 1.00 0.00 O ATOM 0 H GLU A 25 -16.841 0.795 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.317 0.366 -13.440 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.128 2.506 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.154 2.353 -13.535 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.810 3.100 -14.892 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.053 2.191 -14.054 1.00 0.00 H new ATOM 407 N GLY A 26 -15.038 -0.066 -13.553 1.00 0.00 N ATOM 408 CA GLY A 26 -13.984 -0.678 -14.339 1.00 0.00 C ATOM 409 C GLY A 26 -12.647 -0.668 -13.624 1.00 0.00 C ATOM 410 O GLY A 26 -12.178 -1.705 -13.157 1.00 0.00 O ATOM 0 H GLY A 26 -14.731 0.346 -12.672 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.260 -1.706 -14.573 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.889 -0.150 -15.288 1.00 0.00 H new ATOM 414 N SER A 27 -12.034 0.508 -13.537 1.00 0.00 N ATOM 415 CA SER A 27 -10.744 0.651 -12.872 1.00 0.00 C ATOM 416 C SER A 27 -10.497 2.103 -12.474 1.00 0.00 C ATOM 417 O SER A 27 -11.237 3.001 -12.875 1.00 0.00 O ATOM 418 CB SER A 27 -9.618 0.162 -13.785 1.00 0.00 C ATOM 419 OG SER A 27 -9.955 -1.072 -14.394 1.00 0.00 O ATOM 0 H SER A 27 -12.410 1.376 -13.919 1.00 0.00 H new ATOM 0 HA SER A 27 -10.759 0.042 -11.968 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.419 0.908 -14.554 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.701 0.048 -13.207 1.00 0.00 H new ATOM 0 HG SER A 27 -10.523 -1.592 -13.788 1.00 0.00 H new ATOM 425 N VAL A 28 -9.454 2.326 -11.681 1.00 0.00 N ATOM 426 CA VAL A 28 -9.112 3.669 -11.230 1.00 0.00 C ATOM 427 C VAL A 28 -7.601 3.864 -11.173 1.00 0.00 C ATOM 428 O VAL A 28 -6.894 3.116 -10.497 1.00 0.00 O ATOM 429 CB VAL A 28 -9.707 3.963 -9.840 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.517 5.428 -9.478 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.179 3.581 -9.795 1.00 0.00 C ATOM 0 H VAL A 28 -8.832 1.594 -11.338 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.538 4.362 -11.955 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.178 3.358 -9.104 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.943 5.618 -8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.453 5.664 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.018 6.053 -10.217 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.581 3.796 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.727 4.156 -10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.285 2.517 -10.006 1.00 0.00 H new ATOM 441 N HIS A 29 -7.112 4.874 -11.885 1.00 0.00 N ATOM 442 CA HIS A 29 -5.684 5.169 -11.914 1.00 0.00 C ATOM 443 C HIS A 29 -5.283 6.022 -10.715 1.00 0.00 C ATOM 444 O HIS A 29 -6.100 6.766 -10.172 1.00 0.00 O ATOM 445 CB HIS A 29 -5.315 5.887 -13.213 1.00 0.00 C ATOM 446 CG HIS A 29 -5.127 4.963 -14.376 1.00 0.00 C ATOM 447 ND1 HIS A 29 -4.010 4.170 -14.533 1.00 0.00 N ATOM 448 CD2 HIS A 29 -5.922 4.705 -15.442 1.00 0.00 C ATOM 449 CE1 HIS A 29 -4.125 3.466 -15.646 1.00 0.00 C ATOM 450 NE2 HIS A 29 -5.276 3.772 -16.214 1.00 0.00 N ATOM 0 H HIS A 29 -7.684 5.502 -12.450 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.141 4.225 -11.865 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.096 6.607 -13.455 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.397 6.453 -13.057 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.884 5.150 -15.646 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.400 2.761 -16.026 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.629 3.379 -17.086 1.00 0.00 H new ATOM 459 N LEU A 30 -4.024 5.910 -10.306 1.00 0.00 N ATOM 460 CA LEU A 30 -3.521 6.673 -9.169 1.00 0.00 C ATOM 461 C LEU A 30 -1.997 6.738 -9.185 1.00 0.00 C ATOM 462 O LEU A 30 -1.345 6.042 -9.964 1.00 0.00 O ATOM 463 CB LEU A 30 -4.015 6.052 -7.856 1.00 0.00 C ATOM 464 CG LEU A 30 -3.248 4.814 -7.374 1.00 0.00 C ATOM 465 CD1 LEU A 30 -4.011 4.116 -6.258 1.00 0.00 C ATOM 466 CD2 LEU A 30 -2.992 3.849 -8.523 1.00 0.00 C ATOM 0 H LEU A 30 -3.334 5.300 -10.744 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.903 7.691 -9.245 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.968 6.812 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.064 5.783 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.284 5.144 -6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.453 3.240 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.139 4.802 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.989 3.806 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.447 2.980 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.943 3.527 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.402 4.347 -9.292 1.00 0.00 H new ATOM 478 N THR A 31 -1.434 7.575 -8.319 1.00 0.00 N ATOM 479 CA THR A 31 0.014 7.724 -8.237 1.00 0.00 C ATOM 480 C THR A 31 0.647 6.465 -7.649 1.00 0.00 C ATOM 481 O THR A 31 0.228 5.989 -6.593 1.00 0.00 O ATOM 482 CB THR A 31 0.379 8.940 -7.382 1.00 0.00 C ATOM 483 OG1 THR A 31 -0.594 9.158 -6.377 1.00 0.00 O ATOM 484 CG2 THR A 31 0.506 10.218 -8.183 1.00 0.00 C ATOM 0 H THR A 31 -1.957 8.159 -7.666 1.00 0.00 H new ATOM 0 HA THR A 31 0.400 7.874 -9.245 1.00 0.00 H new ATOM 0 HB THR A 31 1.350 8.705 -6.946 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.262 9.823 -5.739 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.766 11.041 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.286 10.100 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.442 10.435 -8.674 1.00 0.00 H new ATOM 492 N PRO A 32 1.662 5.899 -8.325 1.00 0.00 N ATOM 493 CA PRO A 32 2.335 4.686 -7.858 1.00 0.00 C ATOM 494 C PRO A 32 3.260 4.946 -6.679 1.00 0.00 C ATOM 495 O PRO A 32 3.554 4.042 -5.897 1.00 0.00 O ATOM 496 CB PRO A 32 3.133 4.235 -9.079 1.00 0.00 C ATOM 497 CG PRO A 32 3.418 5.494 -9.823 1.00 0.00 C ATOM 498 CD PRO A 32 2.228 6.388 -9.599 1.00 0.00 C ATOM 0 HA PRO A 32 1.626 3.942 -7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.053 3.729 -8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.563 3.534 -9.689 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.332 5.963 -9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.562 5.295 -10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.521 7.436 -9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.508 6.310 -10.414 1.00 0.00 H new ATOM 506 N SER A 33 3.710 6.184 -6.553 1.00 0.00 N ATOM 507 CA SER A 33 4.597 6.556 -5.460 1.00 0.00 C ATOM 508 C SER A 33 3.824 6.633 -4.159 1.00 0.00 C ATOM 509 O SER A 33 4.336 6.280 -3.097 1.00 0.00 O ATOM 510 CB SER A 33 5.287 7.890 -5.751 1.00 0.00 C ATOM 511 OG SER A 33 5.486 8.070 -7.142 1.00 0.00 O ATOM 0 H SER A 33 3.478 6.946 -7.190 1.00 0.00 H new ATOM 0 HA SER A 33 5.365 5.789 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.683 8.708 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.247 7.926 -5.236 1.00 0.00 H new ATOM 0 HG SER A 33 6.425 7.896 -7.363 1.00 0.00 H new ATOM 517 N GLU A 34 2.579 7.068 -4.254 1.00 0.00 N ATOM 518 CA GLU A 34 1.721 7.159 -3.089 1.00 0.00 C ATOM 519 C GLU A 34 1.185 5.785 -2.765 1.00 0.00 C ATOM 520 O GLU A 34 1.247 5.328 -1.624 1.00 0.00 O ATOM 521 CB GLU A 34 0.573 8.141 -3.332 1.00 0.00 C ATOM 522 CG GLU A 34 0.848 9.540 -2.807 1.00 0.00 C ATOM 523 CD GLU A 34 -0.302 10.495 -3.063 1.00 0.00 C ATOM 524 OE1 GLU A 34 -0.364 11.065 -4.173 1.00 0.00 O ATOM 525 OE2 GLU A 34 -1.140 10.672 -2.154 1.00 0.00 O ATOM 0 H GLU A 34 2.141 7.363 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 34 2.301 7.533 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.374 8.196 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.330 7.755 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.043 9.490 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.751 9.930 -3.277 1.00 0.00 H new ATOM 532 N SER A 35 0.695 5.114 -3.791 1.00 0.00 N ATOM 533 CA SER A 35 0.184 3.768 -3.630 1.00 0.00 C ATOM 534 C SER A 35 1.313 2.845 -3.184 1.00 0.00 C ATOM 535 O SER A 35 1.071 1.761 -2.657 1.00 0.00 O ATOM 536 CB SER A 35 -0.443 3.267 -4.932 1.00 0.00 C ATOM 537 OG SER A 35 0.546 2.771 -5.818 1.00 0.00 O ATOM 0 H SER A 35 0.641 5.479 -4.742 1.00 0.00 H new ATOM 0 HA SER A 35 -0.594 3.772 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.166 2.481 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.991 4.079 -5.411 1.00 0.00 H new ATOM 0 HG SER A 35 0.764 1.845 -5.580 1.00 0.00 H new ATOM 543 N GLY A 36 2.554 3.297 -3.379 1.00 0.00 N ATOM 544 CA GLY A 36 3.694 2.510 -2.969 1.00 0.00 C ATOM 545 C GLY A 36 3.777 2.400 -1.464 1.00 0.00 C ATOM 546 O GLY A 36 4.223 1.384 -0.930 1.00 0.00 O ATOM 0 H GLY A 36 2.782 4.192 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.625 1.513 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.608 2.963 -3.353 1.00 0.00 H new ATOM 550 N ILE A 37 3.330 3.446 -0.777 1.00 0.00 N ATOM 551 CA ILE A 37 3.341 3.456 0.681 1.00 0.00 C ATOM 552 C ILE A 37 2.407 2.387 1.222 1.00 0.00 C ATOM 553 O ILE A 37 2.746 1.659 2.155 1.00 0.00 O ATOM 554 CB ILE A 37 2.931 4.828 1.254 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.911 5.908 0.796 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.868 4.777 2.776 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.291 6.929 -0.124 1.00 0.00 C ATOM 0 H ILE A 37 2.957 4.294 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 37 4.364 3.250 0.995 1.00 0.00 H new ATOM 0 HB ILE A 37 1.938 5.076 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.315 6.417 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.751 5.434 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.577 5.754 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.135 4.032 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.847 4.508 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.042 7.665 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.912 6.432 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.470 7.429 0.389 1.00 0.00 H new ATOM 569 N LEU A 38 1.238 2.291 0.613 1.00 0.00 N ATOM 570 CA LEU A 38 0.253 1.296 1.014 1.00 0.00 C ATOM 571 C LEU A 38 0.732 -0.094 0.616 1.00 0.00 C ATOM 572 O LEU A 38 0.367 -1.094 1.234 1.00 0.00 O ATOM 573 CB LEU A 38 -1.115 1.598 0.386 1.00 0.00 C ATOM 574 CG LEU A 38 -1.355 0.997 -1.004 1.00 0.00 C ATOM 575 CD1 LEU A 38 -2.162 -0.287 -0.903 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.062 1.997 -1.905 1.00 0.00 C ATOM 0 H LEU A 38 0.946 2.888 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 38 0.139 1.333 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.892 1.233 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.233 2.680 0.319 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.386 0.760 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.321 -0.696 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.619 -1.011 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.126 -0.075 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.223 1.552 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.023 2.266 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.447 2.891 -2.009 1.00 0.00 H new ATOM 588 N LYS A 39 1.565 -0.139 -0.417 1.00 0.00 N ATOM 589 CA LYS A 39 2.114 -1.394 -0.901 1.00 0.00 C ATOM 590 C LYS A 39 3.161 -1.920 0.067 1.00 0.00 C ATOM 591 O LYS A 39 3.343 -3.129 0.202 1.00 0.00 O ATOM 592 CB LYS A 39 2.726 -1.213 -2.292 1.00 0.00 C ATOM 593 CG LYS A 39 3.197 -2.514 -2.924 1.00 0.00 C ATOM 594 CD LYS A 39 4.697 -2.507 -3.171 1.00 0.00 C ATOM 595 CE LYS A 39 5.046 -3.167 -4.495 1.00 0.00 C ATOM 596 NZ LYS A 39 6.511 -3.134 -4.762 1.00 0.00 N ATOM 0 H LYS A 39 1.874 0.683 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 39 1.303 -2.119 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.989 -0.747 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.570 -0.526 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.939 -3.349 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.673 -2.671 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.063 -1.480 -3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.203 -3.028 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.701 -4.201 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.518 -2.661 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.708 -3.594 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.836 -2.147 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.013 -3.639 -4.004 1.00 0.00 H new ATOM 610 N ARG A 40 3.843 -1.003 0.744 1.00 0.00 N ATOM 611 CA ARG A 40 4.868 -1.382 1.710 1.00 0.00 C ATOM 612 C ARG A 40 4.232 -1.928 2.977 1.00 0.00 C ATOM 613 O ARG A 40 4.690 -2.923 3.539 1.00 0.00 O ATOM 614 CB ARG A 40 5.770 -0.189 2.038 1.00 0.00 C ATOM 615 CG ARG A 40 7.086 -0.192 1.277 1.00 0.00 C ATOM 616 CD ARG A 40 6.875 0.071 -0.205 1.00 0.00 C ATOM 617 NE ARG A 40 6.762 1.498 -0.496 1.00 0.00 N ATOM 618 CZ ARG A 40 6.950 2.026 -1.703 1.00 0.00 C ATOM 619 NH1 ARG A 40 7.254 1.249 -2.736 1.00 0.00 N ATOM 620 NH2 ARG A 40 6.828 3.335 -1.879 1.00 0.00 N ATOM 0 H ARG A 40 3.706 0.003 0.643 1.00 0.00 H new ATOM 0 HA ARG A 40 5.482 -2.165 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.233 0.733 1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.979 -0.186 3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.748 0.568 1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.582 -1.154 1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.707 -0.350 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.972 -0.440 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 40 6.525 2.127 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.345 0.241 -2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.397 1.660 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.590 3.936 -1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.972 3.741 -2.804 1.00 0.00 H new ATOM 634 N LEU A 41 3.163 -1.281 3.406 1.00 0.00 N ATOM 635 CA LEU A 41 2.441 -1.710 4.596 1.00 0.00 C ATOM 636 C LEU A 41 1.702 -3.014 4.319 1.00 0.00 C ATOM 637 O LEU A 41 1.366 -3.761 5.238 1.00 0.00 O ATOM 638 CB LEU A 41 1.457 -0.627 5.049 1.00 0.00 C ATOM 639 CG LEU A 41 1.766 -0.003 6.412 1.00 0.00 C ATOM 640 CD1 LEU A 41 3.158 0.608 6.416 1.00 0.00 C ATOM 641 CD2 LEU A 41 0.721 1.044 6.767 1.00 0.00 C ATOM 0 H LEU A 41 2.774 -0.456 2.950 1.00 0.00 H new ATOM 0 HA LEU A 41 3.161 -1.876 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.440 0.164 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.456 -1.057 5.081 1.00 0.00 H new ATOM 0 HG LEU A 41 1.735 -0.789 7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.360 1.047 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.896 -0.166 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.218 1.382 5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.956 1.478 7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.720 1.829 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.263 0.577 6.806 1.00 0.00 H new ATOM 653 N LEU A 42 1.460 -3.283 3.039 1.00 0.00 N ATOM 654 CA LEU A 42 0.773 -4.497 2.625 1.00 0.00 C ATOM 655 C LEU A 42 1.698 -5.704 2.741 1.00 0.00 C ATOM 656 O LEU A 42 1.239 -6.838 2.877 1.00 0.00 O ATOM 657 CB LEU A 42 0.263 -4.352 1.186 1.00 0.00 C ATOM 658 CG LEU A 42 -1.256 -4.197 1.033 1.00 0.00 C ATOM 659 CD1 LEU A 42 -1.939 -5.552 1.096 1.00 0.00 C ATOM 660 CD2 LEU A 42 -1.819 -3.266 2.099 1.00 0.00 C ATOM 0 H LEU A 42 1.732 -2.672 2.269 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.080 -4.654 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.746 -3.486 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.580 -5.226 0.617 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.454 -3.754 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.016 -5.422 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.566 -6.185 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.727 -6.022 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.897 -3.173 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.607 -3.674 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.356 -2.284 2.005 1.00 0.00 H new ATOM 672 N ILE A 43 3.003 -5.453 2.696 1.00 0.00 N ATOM 673 CA ILE A 43 3.984 -6.527 2.809 1.00 0.00 C ATOM 674 C ILE A 43 4.067 -7.033 4.244 1.00 0.00 C ATOM 675 O ILE A 43 4.382 -8.198 4.486 1.00 0.00 O ATOM 676 CB ILE A 43 5.388 -6.075 2.359 1.00 0.00 C ATOM 677 CG1 ILE A 43 5.306 -5.253 1.072 1.00 0.00 C ATOM 678 CG2 ILE A 43 6.291 -7.284 2.162 1.00 0.00 C ATOM 679 CD1 ILE A 43 4.563 -5.949 -0.048 1.00 0.00 C ATOM 0 H ILE A 43 3.404 -4.522 2.583 1.00 0.00 H new ATOM 0 HA ILE A 43 3.648 -7.328 2.151 1.00 0.00 H new ATOM 0 HB ILE A 43 5.814 -5.443 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.814 -4.304 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.316 -5.019 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.279 -6.952 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.376 -7.831 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.865 -7.936 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.546 -5.306 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.066 -6.884 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.541 -6.159 0.268 1.00 0.00 H new ATOM 691 N ASN A 44 3.781 -6.148 5.195 1.00 0.00 N ATOM 692 CA ASN A 44 3.821 -6.503 6.608 1.00 0.00 C ATOM 693 C ASN A 44 2.458 -6.986 7.084 1.00 0.00 C ATOM 694 O ASN A 44 2.348 -7.992 7.784 1.00 0.00 O ATOM 695 CB ASN A 44 4.275 -5.305 7.444 1.00 0.00 C ATOM 696 CG ASN A 44 5.587 -4.723 6.955 1.00 0.00 C ATOM 697 OD1 ASN A 44 5.729 -3.508 6.822 1.00 0.00 O ATOM 698 ND2 ASN A 44 6.555 -5.591 6.685 1.00 0.00 N ATOM 0 H ASN A 44 3.519 -5.179 5.011 1.00 0.00 H new ATOM 0 HA ASN A 44 4.537 -7.315 6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.506 -4.533 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.382 -5.611 8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.460 -5.258 6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.393 -6.590 6.810 1.00 0.00 H new ATOM 705 N LYS A 45 1.427 -6.257 6.691 1.00 0.00 N ATOM 706 CA LYS A 45 0.054 -6.589 7.060 1.00 0.00 C ATOM 707 C LYS A 45 -0.062 -6.883 8.554 1.00 0.00 C ATOM 708 O LYS A 45 -0.001 -8.036 8.980 1.00 0.00 O ATOM 709 CB LYS A 45 -0.438 -7.789 6.249 1.00 0.00 C ATOM 710 CG LYS A 45 -0.632 -7.482 4.773 1.00 0.00 C ATOM 711 CD LYS A 45 -2.105 -7.424 4.401 1.00 0.00 C ATOM 712 CE LYS A 45 -2.692 -6.048 4.667 1.00 0.00 C ATOM 713 NZ LYS A 45 -4.007 -5.866 3.993 1.00 0.00 N ATOM 0 H LYS A 45 1.513 -5.423 6.111 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.571 -5.725 6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.277 -8.605 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.382 -8.138 6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.158 -6.530 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.135 -8.245 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.225 -7.675 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.655 -8.172 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.812 -5.906 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.997 -5.283 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.581 -5.185 4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.856 -5.507 3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.504 -6.779 3.949 1.00 0.00 H new ATOM 727 N GLY A 46 -0.231 -5.827 9.340 1.00 0.00 N ATOM 728 CA GLY A 46 -0.355 -5.976 10.776 1.00 0.00 C ATOM 729 C GLY A 46 0.982 -6.160 11.463 1.00 0.00 C ATOM 730 O GLY A 46 1.408 -7.283 11.729 1.00 0.00 O ATOM 0 H GLY A 46 -0.285 -4.865 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.852 -5.097 11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.992 -6.833 10.994 1.00 0.00 H new ATOM 734 N GLN A 47 1.641 -5.043 11.753 1.00 0.00 N ATOM 735 CA GLN A 47 2.938 -5.061 12.416 1.00 0.00 C ATOM 736 C GLN A 47 3.337 -3.650 12.838 1.00 0.00 C ATOM 737 O GLN A 47 2.918 -2.669 12.225 1.00 0.00 O ATOM 738 CB GLN A 47 4.003 -5.655 11.491 1.00 0.00 C ATOM 739 CG GLN A 47 4.231 -7.143 11.706 1.00 0.00 C ATOM 740 CD GLN A 47 3.887 -7.972 10.484 1.00 0.00 C ATOM 741 OE1 GLN A 47 4.626 -7.763 9.400 1.00 0.00 O flip ATOM 742 NE2 GLN A 47 2.968 -8.790 10.513 1.00 0.00 N flip ATOM 0 H GLN A 47 1.294 -4.108 11.537 1.00 0.00 H new ATOM 0 HA GLN A 47 2.862 -5.685 13.306 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.708 -5.487 10.455 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.943 -5.125 11.645 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.275 -7.311 11.972 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.629 -7.480 12.550 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.426 -8.918 11.368 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.748 -9.340 9.682 1.00 0.00 H new ATOM 751 N LEU A 48 4.143 -3.553 13.889 1.00 0.00 N ATOM 752 CA LEU A 48 4.588 -2.257 14.388 1.00 0.00 C ATOM 753 C LEU A 48 5.559 -1.602 13.411 1.00 0.00 C ATOM 754 O LEU A 48 6.684 -2.069 13.232 1.00 0.00 O ATOM 755 CB LEU A 48 5.246 -2.413 15.761 1.00 0.00 C ATOM 756 CG LEU A 48 4.720 -1.465 16.840 1.00 0.00 C ATOM 757 CD1 LEU A 48 5.137 -0.034 16.541 1.00 0.00 C ATOM 758 CD2 LEU A 48 3.204 -1.571 16.953 1.00 0.00 C ATOM 0 H LEU A 48 4.501 -4.353 14.411 1.00 0.00 H new ATOM 0 HA LEU A 48 3.714 -1.613 14.486 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.106 -3.439 16.100 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.319 -2.257 15.653 1.00 0.00 H new ATOM 0 HG LEU A 48 5.155 -1.756 17.796 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.754 0.627 17.319 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.225 0.030 16.514 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.731 0.269 15.576 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.848 -0.889 17.726 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.749 -1.307 15.998 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.929 -2.593 17.216 1.00 0.00 H new ATOM 770 N CYS A 49 5.115 -0.519 12.780 1.00 0.00 N ATOM 771 CA CYS A 49 5.944 0.200 11.820 1.00 0.00 C ATOM 772 C CYS A 49 5.825 1.708 12.016 1.00 0.00 C ATOM 773 O CYS A 49 4.918 2.344 11.479 1.00 0.00 O ATOM 774 CB CYS A 49 5.546 -0.173 10.391 1.00 0.00 C ATOM 775 SG CYS A 49 5.514 -1.953 10.075 1.00 0.00 S ATOM 0 H CYS A 49 4.186 -0.121 12.917 1.00 0.00 H new ATOM 0 HA CYS A 49 6.982 -0.088 11.989 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.560 0.240 10.180 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.243 0.296 9.697 1.00 0.00 H new ATOM 0 HG CYS A 49 4.554 -2.498 10.761 1.00 0.00 H new ATOM 781 N LEU A 50 6.749 2.273 12.786 1.00 0.00 N ATOM 782 CA LEU A 50 6.758 3.709 13.058 1.00 0.00 C ATOM 783 C LEU A 50 6.644 4.510 11.764 1.00 0.00 C ATOM 784 O LEU A 50 6.647 3.944 10.671 1.00 0.00 O ATOM 785 CB LEU A 50 8.040 4.107 13.801 1.00 0.00 C ATOM 786 CG LEU A 50 8.238 3.468 15.182 1.00 0.00 C ATOM 787 CD1 LEU A 50 6.908 3.302 15.904 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.948 2.128 15.053 1.00 0.00 C ATOM 0 H LEU A 50 7.505 1.757 13.235 1.00 0.00 H new ATOM 0 HA LEU A 50 5.896 3.935 13.686 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.895 3.848 13.176 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.048 5.191 13.919 1.00 0.00 H new ATOM 0 HG LEU A 50 8.862 4.135 15.776 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.078 2.847 16.880 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.441 4.278 16.035 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.251 2.662 15.315 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.080 1.689 16.042 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.350 1.458 14.436 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.923 2.276 14.589 1.00 0.00 H new ATOM 800 N ARG A 51 6.540 5.829 11.893 1.00 0.00 N ATOM 801 CA ARG A 51 6.421 6.698 10.727 1.00 0.00 C ATOM 802 C ARG A 51 7.786 7.143 10.232 1.00 0.00 C ATOM 803 O ARG A 51 7.987 7.352 9.036 1.00 0.00 O ATOM 804 CB ARG A 51 5.558 7.920 11.053 1.00 0.00 C ATOM 805 CG ARG A 51 6.183 8.854 12.077 1.00 0.00 C ATOM 806 CD ARG A 51 5.191 9.237 13.164 1.00 0.00 C ATOM 807 NE ARG A 51 5.855 9.544 14.429 1.00 0.00 N ATOM 808 CZ ARG A 51 5.210 9.909 15.535 1.00 0.00 C ATOM 809 NH1 ARG A 51 3.886 10.013 15.536 1.00 0.00 N ATOM 810 NH2 ARG A 51 5.889 10.169 16.644 1.00 0.00 N ATOM 0 H ARG A 51 6.536 6.318 12.788 1.00 0.00 H new ATOM 0 HA ARG A 51 5.939 6.125 9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.369 8.476 10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.591 7.582 11.425 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.050 8.372 12.528 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.542 9.754 11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.613 10.102 12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.485 8.420 13.314 1.00 0.00 H new ATOM 0 HE ARG A 51 6.872 9.475 14.467 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.358 9.813 14.687 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.397 10.293 16.386 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.906 10.089 16.650 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.394 10.449 17.491 1.00 0.00 H new ATOM 824 N LYS A 52 8.723 7.279 11.154 1.00 0.00 N ATOM 825 CA LYS A 52 10.071 7.690 10.800 1.00 0.00 C ATOM 826 C LYS A 52 10.726 6.637 9.938 1.00 0.00 C ATOM 827 O LYS A 52 11.009 6.873 8.770 1.00 0.00 O ATOM 828 CB LYS A 52 10.906 7.951 12.056 1.00 0.00 C ATOM 829 CG LYS A 52 12.341 8.361 11.762 1.00 0.00 C ATOM 830 CD LYS A 52 12.567 9.840 12.034 1.00 0.00 C ATOM 831 CE LYS A 52 12.030 10.702 10.902 1.00 0.00 C ATOM 832 NZ LYS A 52 11.370 11.936 11.410 1.00 0.00 N ATOM 0 H LYS A 52 8.577 7.112 12.150 1.00 0.00 H new ATOM 0 HA LYS A 52 10.012 8.619 10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.427 8.734 12.644 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.913 7.051 12.670 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.022 7.770 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.577 8.142 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.079 10.118 12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.633 10.029 12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.847 10.976 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.317 10.125 10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.017 12.496 10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.574 11.675 12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.057 12.499 11.951 1.00 0.00 H new ATOM 846 N HIS A 53 10.939 5.472 10.515 1.00 0.00 N ATOM 847 CA HIS A 53 11.544 4.365 9.787 1.00 0.00 C ATOM 848 C HIS A 53 10.783 4.100 8.500 1.00 0.00 C ATOM 849 O HIS A 53 11.344 3.591 7.530 1.00 0.00 O ATOM 850 CB HIS A 53 11.580 3.109 10.655 1.00 0.00 C ATOM 851 CG HIS A 53 12.370 1.988 10.055 1.00 0.00 C ATOM 852 ND1 HIS A 53 11.893 1.189 9.037 1.00 0.00 N ATOM 853 CD2 HIS A 53 13.615 1.535 10.334 1.00 0.00 C ATOM 854 CE1 HIS A 53 12.810 0.293 8.717 1.00 0.00 C ATOM 855 NE2 HIS A 53 13.865 0.482 9.489 1.00 0.00 N ATOM 0 H HIS A 53 10.704 5.263 11.485 1.00 0.00 H new ATOM 0 HA HIS A 53 12.569 4.637 9.534 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.004 3.361 11.627 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.559 2.770 10.831 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.287 1.929 11.082 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.713 -0.465 7.954 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.725 -0.065 9.462 1.00 0.00 H new ATOM 864 N LEU A 54 9.508 4.477 8.482 1.00 0.00 N ATOM 865 CA LEU A 54 8.699 4.302 7.291 1.00 0.00 C ATOM 866 C LEU A 54 9.310 5.092 6.145 1.00 0.00 C ATOM 867 O LEU A 54 9.160 4.736 4.977 1.00 0.00 O ATOM 868 CB LEU A 54 7.259 4.758 7.540 1.00 0.00 C ATOM 869 CG LEU A 54 6.247 4.308 6.483 1.00 0.00 C ATOM 870 CD1 LEU A 54 5.406 3.154 7.005 1.00 0.00 C ATOM 871 CD2 LEU A 54 5.359 5.470 6.063 1.00 0.00 C ATOM 0 H LEU A 54 9.021 4.901 9.272 1.00 0.00 H new ATOM 0 HA LEU A 54 8.677 3.244 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.938 4.383 8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.243 5.846 7.597 1.00 0.00 H new ATOM 0 HG LEU A 54 6.797 3.963 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.693 2.848 6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.055 2.314 7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.867 3.471 7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.647 5.130 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.818 5.847 6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.975 6.266 5.645 1.00 0.00 H new ATOM 883 N LEU A 55 10.011 6.169 6.495 1.00 0.00 N ATOM 884 CA LEU A 55 10.656 7.013 5.500 1.00 0.00 C ATOM 885 C LEU A 55 11.750 6.255 4.747 1.00 0.00 C ATOM 886 O LEU A 55 12.211 6.702 3.698 1.00 0.00 O ATOM 887 CB LEU A 55 11.210 8.289 6.165 1.00 0.00 C ATOM 888 CG LEU A 55 12.649 8.248 6.724 1.00 0.00 C ATOM 889 CD1 LEU A 55 12.770 9.197 7.904 1.00 0.00 C ATOM 890 CD2 LEU A 55 13.072 6.846 7.150 1.00 0.00 C ATOM 0 H LEU A 55 10.145 6.474 7.459 1.00 0.00 H new ATOM 0 HA LEU A 55 9.908 7.307 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.158 9.096 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.541 8.557 6.983 1.00 0.00 H new ATOM 0 HG LEU A 55 13.315 8.559 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.787 9.164 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.538 10.212 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.072 8.897 8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.091 6.875 7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.400 6.484 7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.027 6.176 6.292 1.00 0.00 H new ATOM 902 N GLU A 56 12.165 5.107 5.284 1.00 0.00 N ATOM 903 CA GLU A 56 13.204 4.309 4.647 1.00 0.00 C ATOM 904 C GLU A 56 12.611 3.338 3.630 1.00 0.00 C ATOM 905 O GLU A 56 13.316 2.846 2.748 1.00 0.00 O ATOM 906 CB GLU A 56 14.008 3.542 5.700 1.00 0.00 C ATOM 907 CG GLU A 56 15.326 4.206 6.064 1.00 0.00 C ATOM 908 CD GLU A 56 16.523 3.492 5.467 1.00 0.00 C ATOM 909 OE1 GLU A 56 16.374 2.888 4.384 1.00 0.00 O ATOM 910 OE2 GLU A 56 17.609 3.536 6.082 1.00 0.00 O ATOM 0 H GLU A 56 11.799 4.714 6.151 1.00 0.00 H new ATOM 0 HA GLU A 56 13.870 4.990 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.403 3.437 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.208 2.536 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.315 5.240 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.428 4.233 7.149 1.00 0.00 H new ATOM 917 N GLU A 57 11.317 3.064 3.753 1.00 0.00 N ATOM 918 CA GLU A 57 10.645 2.151 2.835 1.00 0.00 C ATOM 919 C GLU A 57 10.076 2.899 1.642 1.00 0.00 C ATOM 920 O GLU A 57 9.960 2.348 0.547 1.00 0.00 O ATOM 921 CB GLU A 57 9.539 1.377 3.555 1.00 0.00 C ATOM 922 CG GLU A 57 9.955 0.843 4.917 1.00 0.00 C ATOM 923 CD GLU A 57 10.298 -0.634 4.883 1.00 0.00 C ATOM 924 OE1 GLU A 57 9.370 -1.461 5.000 1.00 0.00 O ATOM 925 OE2 GLU A 57 11.495 -0.962 4.741 1.00 0.00 O ATOM 0 H GLU A 57 10.715 3.459 4.475 1.00 0.00 H new ATOM 0 HA GLU A 57 11.385 1.439 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.673 2.028 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.224 0.543 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.818 1.405 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.148 1.009 5.630 1.00 0.00 H new ATOM 932 N ILE A 58 9.745 4.162 1.852 1.00 0.00 N ATOM 933 CA ILE A 58 9.215 4.988 0.780 1.00 0.00 C ATOM 934 C ILE A 58 10.354 5.705 0.068 1.00 0.00 C ATOM 935 O ILE A 58 10.226 6.108 -1.087 1.00 0.00 O ATOM 936 CB ILE A 58 8.192 6.026 1.287 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.347 5.447 2.430 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.303 6.482 0.138 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.305 4.441 1.982 1.00 0.00 C ATOM 0 H ILE A 58 9.833 4.636 2.751 1.00 0.00 H new ATOM 0 HA ILE A 58 8.696 4.324 0.089 1.00 0.00 H new ATOM 0 HB ILE A 58 8.734 6.888 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.010 4.970 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.847 6.265 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.583 7.215 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.918 6.934 -0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.771 5.624 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.751 4.080 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.616 4.917 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.797 3.602 1.491 1.00 0.00 H new ATOM 951 N LYS A 59 11.480 5.840 0.766 1.00 0.00 N ATOM 952 CA LYS A 59 12.657 6.484 0.203 1.00 0.00 C ATOM 953 C LYS A 59 13.467 5.479 -0.610 1.00 0.00 C ATOM 954 O LYS A 59 14.199 5.856 -1.526 1.00 0.00 O ATOM 955 CB LYS A 59 13.521 7.086 1.313 1.00 0.00 C ATOM 956 CG LYS A 59 14.722 7.863 0.796 1.00 0.00 C ATOM 957 CD LYS A 59 14.674 9.321 1.227 1.00 0.00 C ATOM 958 CE LYS A 59 16.061 9.942 1.251 1.00 0.00 C ATOM 959 NZ LYS A 59 16.011 11.420 1.078 1.00 0.00 N ATOM 0 H LYS A 59 11.599 5.510 1.724 1.00 0.00 H new ATOM 0 HA LYS A 59 12.331 7.289 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.906 7.748 1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.870 6.285 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.639 7.404 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.752 7.806 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.035 9.882 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.225 9.394 2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.549 9.703 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.668 9.504 0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.977 11.805 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.568 11.648 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.453 11.841 1.848 1.00 0.00 H new ATOM 973 N ASN A 60 13.322 4.193 -0.280 1.00 0.00 N ATOM 974 CA ASN A 60 14.029 3.142 -0.991 1.00 0.00 C ATOM 975 C ASN A 60 13.173 2.602 -2.133 1.00 0.00 C ATOM 976 O ASN A 60 13.180 1.405 -2.418 1.00 0.00 O ATOM 977 CB ASN A 60 14.403 2.006 -0.036 1.00 0.00 C ATOM 978 CG ASN A 60 15.754 2.221 0.617 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.204 3.354 0.784 1.00 0.00 O ATOM 980 ND2 ASN A 60 16.410 1.128 0.992 1.00 0.00 N ATOM 0 H ASN A 60 12.721 3.862 0.475 1.00 0.00 H new ATOM 0 HA ASN A 60 14.943 3.566 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.639 1.918 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.413 1.063 -0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.324 1.209 1.438 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.000 0.208 0.834 1.00 0.00 H new ATOM 987 N HIS A 61 12.433 3.498 -2.778 1.00 0.00 N ATOM 988 CA HIS A 61 11.564 3.128 -3.884 1.00 0.00 C ATOM 989 C HIS A 61 11.087 4.373 -4.625 1.00 0.00 C ATOM 990 O HIS A 61 11.140 4.439 -5.853 1.00 0.00 O ATOM 991 CB HIS A 61 10.364 2.331 -3.366 1.00 0.00 C ATOM 992 CG HIS A 61 9.774 1.405 -4.384 1.00 0.00 C ATOM 993 ND1 HIS A 61 9.089 1.846 -5.496 1.00 0.00 N ATOM 994 CD2 HIS A 61 9.767 0.052 -4.452 1.00 0.00 C ATOM 995 CE1 HIS A 61 8.685 0.805 -6.203 1.00 0.00 C ATOM 996 NE2 HIS A 61 9.085 -0.294 -5.592 1.00 0.00 N ATOM 0 H HIS A 61 12.420 4.492 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 61 12.129 2.505 -4.578 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.672 1.752 -2.496 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.594 3.026 -3.030 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.214 -0.628 -3.742 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.123 0.847 -7.124 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.915 -1.247 -5.915 1.00 0.00 H new ATOM 1005 N ALA A 62 10.629 5.363 -3.862 1.00 0.00 N ATOM 1006 CA ALA A 62 10.147 6.619 -4.428 1.00 0.00 C ATOM 1007 C ALA A 62 9.576 7.518 -3.339 1.00 0.00 C ATOM 1008 O ALA A 62 8.389 7.443 -3.022 1.00 0.00 O ATOM 1009 CB ALA A 62 9.097 6.364 -5.500 1.00 0.00 C ATOM 0 H ALA A 62 10.582 5.318 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 62 10.996 7.125 -4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.753 7.315 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.531 5.764 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.253 5.830 -5.063 1.00 0.00 H new ATOM 1015 N LYS A 63 10.425 8.367 -2.770 1.00 0.00 N ATOM 1016 CA LYS A 63 9.998 9.281 -1.717 1.00 0.00 C ATOM 1017 C LYS A 63 9.073 10.354 -2.281 1.00 0.00 C ATOM 1018 O LYS A 63 9.417 11.536 -2.305 1.00 0.00 O ATOM 1019 CB LYS A 63 11.212 9.932 -1.051 1.00 0.00 C ATOM 1020 CG LYS A 63 10.897 10.575 0.289 1.00 0.00 C ATOM 1021 CD LYS A 63 11.657 11.878 0.476 1.00 0.00 C ATOM 1022 CE LYS A 63 11.092 12.694 1.627 1.00 0.00 C ATOM 1023 NZ LYS A 63 11.790 14.001 1.777 1.00 0.00 N ATOM 0 H LYS A 63 11.411 8.441 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 63 9.451 8.708 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.987 9.178 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.621 10.688 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.826 10.764 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.153 9.885 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.709 11.663 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.610 12.463 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.029 12.867 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.182 12.126 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.375 14.527 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.800 13.836 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.683 14.554 0.903 1.00 0.00 H new ATOM 1037 N ALA A 64 7.900 9.932 -2.741 1.00 0.00 N ATOM 1038 CA ALA A 64 6.927 10.854 -3.311 1.00 0.00 C ATOM 1039 C ALA A 64 7.529 11.628 -4.477 1.00 0.00 C ATOM 1040 O ALA A 64 8.306 12.562 -4.277 1.00 0.00 O ATOM 1041 CB ALA A 64 6.422 11.813 -2.243 1.00 0.00 C ATOM 0 H ALA A 64 7.601 8.957 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 64 6.086 10.273 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.695 12.497 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.949 11.247 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.259 12.383 -1.840 1.00 0.00 H new ATOM 1047 N ILE A 65 7.165 11.239 -5.696 1.00 0.00 N ATOM 1048 CA ILE A 65 7.673 11.907 -6.889 1.00 0.00 C ATOM 1049 C ILE A 65 6.740 13.032 -7.323 1.00 0.00 C ATOM 1050 O ILE A 65 6.617 13.337 -8.509 1.00 0.00 O ATOM 1051 CB ILE A 65 7.868 10.916 -8.057 1.00 0.00 C ATOM 1052 CG1 ILE A 65 8.584 11.598 -9.226 1.00 0.00 C ATOM 1053 CG2 ILE A 65 6.529 10.346 -8.505 1.00 0.00 C ATOM 1054 CD1 ILE A 65 9.959 11.030 -9.504 1.00 0.00 C ATOM 0 H ILE A 65 6.523 10.468 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 65 8.644 12.328 -6.629 1.00 0.00 H new ATOM 0 HB ILE A 65 8.490 10.092 -7.709 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.972 11.502 -10.123 1.00 0.00 H new ATOM 0 HG13 ILE A 65 8.675 12.663 -9.014 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.687 9.650 -9.329 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.060 9.822 -7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.880 11.157 -8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.408 11.560 -10.344 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.587 11.150 -8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.873 9.971 -9.747 1.00 0.00 H new ATOM 1066 N VAL A 66 6.091 13.644 -6.343 1.00 0.00 N ATOM 1067 CA VAL A 66 5.167 14.740 -6.593 1.00 0.00 C ATOM 1068 C VAL A 66 4.597 15.285 -5.286 1.00 0.00 C ATOM 1069 O VAL A 66 3.422 15.643 -5.208 1.00 0.00 O ATOM 1070 CB VAL A 66 4.015 14.295 -7.514 1.00 0.00 C ATOM 1071 CG1 VAL A 66 3.079 13.332 -6.796 1.00 0.00 C ATOM 1072 CG2 VAL A 66 3.253 15.502 -8.040 1.00 0.00 C ATOM 0 H VAL A 66 6.189 13.397 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 66 5.729 15.531 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 66 4.447 13.767 -8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.276 13.035 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.636 12.449 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.655 13.822 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.443 15.167 -8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.839 16.064 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.930 16.141 -8.606 1.00 0.00 H new ATOM 1082 N ALA A 67 5.442 15.344 -4.262 1.00 0.00 N ATOM 1083 CA ALA A 67 5.029 15.842 -2.955 1.00 0.00 C ATOM 1084 C ALA A 67 6.222 16.378 -2.169 1.00 0.00 C ATOM 1085 O ALA A 67 7.307 16.565 -2.720 1.00 0.00 O ATOM 1086 CB ALA A 67 4.325 14.745 -2.171 1.00 0.00 C ATOM 0 H ALA A 67 6.418 15.053 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 67 4.332 16.665 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.022 15.131 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.444 14.414 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.004 13.904 -2.033 1.00 0.00 H new ATOM 1092 N ARG A 68 6.013 16.627 -0.879 1.00 0.00 N ATOM 1093 CA ARG A 68 7.072 17.146 -0.020 1.00 0.00 C ATOM 1094 C ARG A 68 7.464 16.136 1.057 1.00 0.00 C ATOM 1095 O ARG A 68 8.569 16.189 1.596 1.00 0.00 O ATOM 1096 CB ARG A 68 6.627 18.456 0.633 1.00 0.00 C ATOM 1097 CG ARG A 68 7.716 19.515 0.680 1.00 0.00 C ATOM 1098 CD ARG A 68 7.237 20.775 1.384 1.00 0.00 C ATOM 1099 NE ARG A 68 7.990 21.955 0.966 1.00 0.00 N ATOM 1100 CZ ARG A 68 7.955 23.121 1.608 1.00 0.00 C ATOM 1101 NH1 ARG A 68 7.206 23.266 2.694 1.00 0.00 N ATOM 1102 NH2 ARG A 68 8.670 24.145 1.162 1.00 0.00 N ATOM 0 H ARG A 68 5.121 16.478 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 68 7.946 17.331 -0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.771 18.852 0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.289 18.249 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.589 19.118 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.030 19.761 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.178 20.927 1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.333 20.647 2.462 1.00 0.00 H new ATOM 0 HE ARG A 68 8.576 21.881 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.653 22.482 3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.183 24.161 3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.247 24.039 0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.643 25.038 1.654 1.00 0.00 H new ATOM 1116 N ASN A 69 6.553 15.222 1.368 1.00 0.00 N ATOM 1117 CA ASN A 69 6.806 14.206 2.383 1.00 0.00 C ATOM 1118 C ASN A 69 5.931 12.977 2.154 1.00 0.00 C ATOM 1119 O ASN A 69 5.119 12.948 1.229 1.00 0.00 O ATOM 1120 CB ASN A 69 6.546 14.779 3.778 1.00 0.00 C ATOM 1121 CG ASN A 69 7.609 14.373 4.779 1.00 0.00 C ATOM 1122 OD1 ASN A 69 8.462 13.533 4.491 1.00 0.00 O ATOM 1123 ND2 ASN A 69 7.563 14.971 5.963 1.00 0.00 N ATOM 0 H ASN A 69 5.633 15.163 0.932 1.00 0.00 H new ATOM 0 HA ASN A 69 7.850 13.903 2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.504 15.867 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.571 14.441 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.253 14.740 6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.838 15.661 6.158 1.00 0.00 H new ATOM 1130 N VAL A 70 6.099 11.964 3.000 1.00 0.00 N ATOM 1131 CA VAL A 70 5.318 10.739 2.879 1.00 0.00 C ATOM 1132 C VAL A 70 4.031 10.824 3.687 1.00 0.00 C ATOM 1133 O VAL A 70 3.003 10.273 3.297 1.00 0.00 O ATOM 1134 CB VAL A 70 6.118 9.499 3.330 1.00 0.00 C ATOM 1135 CG1 VAL A 70 6.425 9.554 4.821 1.00 0.00 C ATOM 1136 CG2 VAL A 70 5.359 8.227 2.986 1.00 0.00 C ATOM 0 H VAL A 70 6.765 11.968 3.772 1.00 0.00 H new ATOM 0 HA VAL A 70 5.075 10.631 1.822 1.00 0.00 H new ATOM 0 HB VAL A 70 7.067 9.495 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.989 8.667 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.014 10.445 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.492 9.589 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.935 7.360 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.394 8.231 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.203 8.177 1.908 1.00 0.00 H new ATOM 1146 N ASP A 71 4.101 11.516 4.812 1.00 0.00 N ATOM 1147 CA ASP A 71 2.944 11.676 5.685 1.00 0.00 C ATOM 1148 C ASP A 71 1.842 12.458 4.988 1.00 0.00 C ATOM 1149 O ASP A 71 0.655 12.213 5.206 1.00 0.00 O ATOM 1150 CB ASP A 71 3.350 12.375 6.984 1.00 0.00 C ATOM 1151 CG ASP A 71 3.447 11.413 8.152 1.00 0.00 C ATOM 1152 OD1 ASP A 71 3.952 10.288 7.954 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.020 11.785 9.265 1.00 0.00 O ATOM 0 H ASP A 71 4.947 11.978 5.145 1.00 0.00 H new ATOM 0 HA ASP A 71 2.560 10.685 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.311 12.869 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.623 13.153 7.217 1.00 0.00 H new ATOM 1158 N VAL A 72 2.244 13.391 4.140 1.00 0.00 N ATOM 1159 CA VAL A 72 1.297 14.204 3.396 1.00 0.00 C ATOM 1160 C VAL A 72 0.768 13.432 2.200 1.00 0.00 C ATOM 1161 O VAL A 72 -0.395 13.565 1.819 1.00 0.00 O ATOM 1162 CB VAL A 72 1.922 15.530 2.914 1.00 0.00 C ATOM 1163 CG1 VAL A 72 1.629 16.648 3.900 1.00 0.00 C ATOM 1164 CG2 VAL A 72 3.423 15.390 2.690 1.00 0.00 C ATOM 0 H VAL A 72 3.223 13.604 3.950 1.00 0.00 H new ATOM 0 HA VAL A 72 0.479 14.445 4.075 1.00 0.00 H new ATOM 0 HB VAL A 72 1.467 15.783 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.078 17.575 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.551 16.779 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.048 16.394 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.831 16.342 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.905 15.101 3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.608 14.626 1.935 1.00 0.00 H new ATOM 1174 N HIS A 73 1.631 12.609 1.629 1.00 0.00 N ATOM 1175 CA HIS A 73 1.264 11.787 0.486 1.00 0.00 C ATOM 1176 C HIS A 73 0.409 10.612 0.939 1.00 0.00 C ATOM 1177 O HIS A 73 -0.399 10.084 0.174 1.00 0.00 O ATOM 1178 CB HIS A 73 2.518 11.284 -0.233 1.00 0.00 C ATOM 1179 CG HIS A 73 2.594 11.690 -1.672 1.00 0.00 C ATOM 1180 ND1 HIS A 73 3.548 11.203 -2.540 1.00 0.00 N ATOM 1181 CD2 HIS A 73 1.829 12.542 -2.396 1.00 0.00 C ATOM 1182 CE1 HIS A 73 3.368 11.737 -3.734 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.331 12.552 -3.674 1.00 0.00 N ATOM 0 H HIS A 73 2.595 12.491 1.939 1.00 0.00 H new ATOM 0 HA HIS A 73 0.686 12.395 -0.210 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.399 11.659 0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.550 10.196 -0.170 1.00 0.00 H new ATOM 0 HD1 HIS A 73 4.279 10.534 -2.298 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.983 13.108 -2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.967 11.541 -4.611 1.00 0.00 H new ATOM 1192 N ILE A 74 0.583 10.219 2.195 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.182 9.120 2.760 1.00 0.00 C ATOM 1194 C ILE A 74 -1.620 9.557 2.997 1.00 0.00 C ATOM 1195 O ILE A 74 -2.562 8.784 2.822 1.00 0.00 O ATOM 1196 CB ILE A 74 0.449 8.615 4.083 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.466 7.085 4.115 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -0.279 9.167 5.304 1.00 0.00 C ATOM 1199 CD1 ILE A 74 -0.881 6.456 3.825 1.00 0.00 C ATOM 0 H ILE A 74 1.248 10.647 2.840 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.169 8.295 2.047 1.00 0.00 H new ATOM 0 HB ILE A 74 1.475 8.982 4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.191 6.723 3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.808 6.754 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.194 8.790 6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.230 10.256 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.322 8.851 5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.792 5.370 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.605 6.788 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.217 6.756 2.832 1.00 0.00 H new ATOM 1211 N ALA A 75 -1.767 10.812 3.397 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.078 11.387 3.669 1.00 0.00 C ATOM 1213 C ALA A 75 -3.925 11.458 2.411 1.00 0.00 C ATOM 1214 O ALA A 75 -5.106 11.109 2.423 1.00 0.00 O ATOM 1215 CB ALA A 75 -2.937 12.767 4.296 1.00 0.00 C ATOM 0 H ALA A 75 -0.989 11.456 3.541 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.587 10.732 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.926 13.180 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.385 12.686 5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.398 13.424 3.613 1.00 0.00 H new ATOM 1221 N SER A 76 -3.316 11.897 1.325 1.00 0.00 N ATOM 1222 CA SER A 76 -4.022 11.992 0.054 1.00 0.00 C ATOM 1223 C SER A 76 -4.169 10.613 -0.549 1.00 0.00 C ATOM 1224 O SER A 76 -5.179 10.296 -1.176 1.00 0.00 O ATOM 1225 CB SER A 76 -3.289 12.926 -0.911 1.00 0.00 C ATOM 1226 OG SER A 76 -1.885 12.825 -0.750 1.00 0.00 O ATOM 0 H SER A 76 -2.340 12.193 1.294 1.00 0.00 H new ATOM 0 HA SER A 76 -5.012 12.411 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.559 12.678 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.605 13.955 -0.737 1.00 0.00 H new ATOM 0 HG SER A 76 -1.552 12.056 -1.258 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.166 9.785 -0.323 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.193 8.424 -0.808 1.00 0.00 C ATOM 1234 C LEU A 77 -4.244 7.639 -0.042 1.00 0.00 C ATOM 1235 O LEU A 77 -4.818 6.680 -0.556 1.00 0.00 O ATOM 1236 CB LEU A 77 -1.824 7.765 -0.656 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.709 6.364 -1.256 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -2.381 5.338 -0.360 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -2.306 6.327 -2.656 1.00 0.00 C ATOM 0 H LEU A 77 -2.323 10.035 0.194 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.445 8.431 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.076 8.406 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.580 7.710 0.405 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.651 6.112 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.287 4.348 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.903 5.341 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.436 5.587 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.214 5.321 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.359 6.605 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.773 7.029 -3.297 1.00 0.00 H new ATOM 1251 N ARG A 78 -4.503 8.071 1.190 1.00 0.00 N ATOM 1252 CA ARG A 78 -5.499 7.428 2.030 1.00 0.00 C ATOM 1253 C ARG A 78 -6.859 7.462 1.351 1.00 0.00 C ATOM 1254 O ARG A 78 -7.697 6.586 1.566 1.00 0.00 O ATOM 1255 CB ARG A 78 -5.570 8.117 3.396 1.00 0.00 C ATOM 1256 CG ARG A 78 -4.886 7.338 4.509 1.00 0.00 C ATOM 1257 CD ARG A 78 -4.107 8.257 5.438 1.00 0.00 C ATOM 1258 NE ARG A 78 -4.961 9.274 6.049 1.00 0.00 N ATOM 1259 CZ ARG A 78 -5.589 9.119 7.213 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -5.468 7.990 7.900 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -6.343 10.099 7.693 1.00 0.00 N ATOM 0 H ARG A 78 -4.034 8.865 1.625 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.209 6.388 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.112 9.103 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.616 8.271 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.633 6.789 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.211 6.600 4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.634 7.664 6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.308 8.744 4.879 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.083 10.157 5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.890 7.232 7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.953 7.881 8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.441 10.970 7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.825 9.982 8.584 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.069 8.480 0.524 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.328 8.626 -0.194 1.00 0.00 C ATOM 1277 C LYS A 79 -8.302 7.867 -1.518 1.00 0.00 C ATOM 1278 O LYS A 79 -9.350 7.566 -2.090 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.634 10.106 -0.437 1.00 0.00 C ATOM 1280 CG LYS A 79 -9.732 10.655 0.459 1.00 0.00 C ATOM 1281 CD LYS A 79 -9.717 12.175 0.491 1.00 0.00 C ATOM 1282 CE LYS A 79 -11.124 12.748 0.439 1.00 0.00 C ATOM 1283 NZ LYS A 79 -11.239 14.010 1.221 1.00 0.00 N ATOM 0 H LYS A 79 -6.386 9.214 0.335 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.117 8.198 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.725 10.687 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.924 10.242 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.702 10.307 0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.606 10.267 1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.218 12.516 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.138 12.552 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.401 12.937 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.829 12.014 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.213 14.369 1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.000 13.825 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.584 14.719 0.834 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.104 7.556 -1.999 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.951 6.830 -3.250 1.00 0.00 C ATOM 1299 C LYS A 80 -7.216 5.345 -3.052 1.00 0.00 C ATOM 1300 O LYS A 80 -8.147 4.780 -3.627 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.547 7.041 -3.821 1.00 0.00 C ATOM 1302 CG LYS A 80 -5.477 8.135 -4.876 1.00 0.00 C ATOM 1303 CD LYS A 80 -4.400 9.159 -4.551 1.00 0.00 C ATOM 1304 CE LYS A 80 -4.223 10.159 -5.683 1.00 0.00 C ATOM 1305 NZ LYS A 80 -2.795 10.536 -5.873 1.00 0.00 N ATOM 0 H LYS A 80 -6.225 7.796 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.683 7.219 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.866 7.289 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.196 6.105 -4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.274 7.689 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.444 8.633 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.663 9.688 -3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.455 8.648 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.612 9.733 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.810 11.053 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.719 11.232 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.425 10.950 -4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.242 9.690 -6.116 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.380 4.725 -2.239 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.489 3.303 -1.950 1.00 0.00 C ATOM 1321 C LEU A 81 -7.792 2.974 -1.218 1.00 0.00 C ATOM 1322 O LEU A 81 -8.342 1.885 -1.377 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.272 2.848 -1.135 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.423 2.898 0.389 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -4.237 2.223 1.061 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -5.556 4.337 0.860 1.00 0.00 C ATOM 0 H LEU A 81 -5.608 5.190 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.509 2.760 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.030 1.825 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.420 3.468 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.329 2.359 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.359 2.267 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.183 1.182 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.318 2.736 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.663 4.356 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.666 4.898 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.435 4.790 0.401 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.284 3.920 -0.421 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.519 3.701 0.312 1.00 0.00 C ATOM 1340 C GLY A 82 -9.307 3.594 1.812 1.00 0.00 C ATOM 1341 O GLY A 82 -8.397 4.212 2.364 1.00 0.00 O ATOM 0 H GLY A 82 -7.851 4.831 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.208 4.520 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.992 2.788 -0.049 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.158 2.811 2.472 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.071 2.626 3.918 1.00 0.00 C ATOM 1347 C ALA A 83 -8.739 2.007 4.327 1.00 0.00 C ATOM 1348 O ALA A 83 -8.306 2.143 5.471 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.227 1.768 4.410 1.00 0.00 C ATOM 0 H ALA A 83 -10.916 2.294 2.027 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.134 3.610 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.150 1.638 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.171 2.257 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.189 0.793 3.924 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.090 1.336 3.385 1.00 0.00 N ATOM 1356 CA TYR A 84 -6.803 0.704 3.645 1.00 0.00 C ATOM 1357 C TYR A 84 -5.784 1.746 4.088 1.00 0.00 C ATOM 1358 O TYR A 84 -4.856 1.445 4.839 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.304 -0.029 2.396 1.00 0.00 C ATOM 1360 CG TYR A 84 -6.315 -1.536 2.530 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -7.351 -2.187 3.189 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -5.289 -2.307 1.998 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -7.363 -3.563 3.314 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -5.295 -3.684 2.117 1.00 0.00 C ATOM 1365 CZ TYR A 84 -6.334 -4.307 2.776 1.00 0.00 C ATOM 1366 OH TYR A 84 -6.344 -5.677 2.898 1.00 0.00 O ATOM 0 H TYR A 84 -8.434 1.215 2.432 1.00 0.00 H new ATOM 0 HA TYR A 84 -6.930 -0.024 4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.924 0.256 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.289 0.300 2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.160 -1.608 3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.473 -1.822 1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.175 -4.054 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.490 -4.269 1.696 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.159 -6.084 2.026 1.00 0.00 H new ATOM 1376 N GLY A 85 -5.973 2.978 3.626 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.074 4.052 3.994 1.00 0.00 C ATOM 1378 C GLY A 85 -5.129 4.338 5.478 1.00 0.00 C ATOM 1379 O GLY A 85 -4.097 4.431 6.139 1.00 0.00 O ATOM 0 H GLY A 85 -6.734 3.250 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.055 3.788 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.336 4.953 3.439 1.00 0.00 H new ATOM 1383 N SER A 86 -6.342 4.461 6.006 1.00 0.00 N ATOM 1384 CA SER A 86 -6.534 4.722 7.426 1.00 0.00 C ATOM 1385 C SER A 86 -5.962 3.585 8.272 1.00 0.00 C ATOM 1386 O SER A 86 -5.778 3.734 9.480 1.00 0.00 O ATOM 1387 CB SER A 86 -8.021 4.909 7.734 1.00 0.00 C ATOM 1388 OG SER A 86 -8.829 4.419 6.678 1.00 0.00 O ATOM 0 H SER A 86 -7.207 4.384 5.471 1.00 0.00 H new ATOM 0 HA SER A 86 -6.001 5.639 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.272 4.389 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.231 5.966 7.896 1.00 0.00 H new ATOM 0 HG SER A 86 -8.720 3.448 6.607 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.683 2.448 7.633 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.132 1.290 8.333 1.00 0.00 C ATOM 1396 C ARG A 87 -3.910 1.662 9.169 1.00 0.00 C ATOM 1397 O ARG A 87 -3.581 0.971 10.133 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.764 0.195 7.341 1.00 0.00 C ATOM 1399 CG ARG A 87 -4.696 -1.181 7.978 1.00 0.00 C ATOM 1400 CD ARG A 87 -5.673 -2.149 7.330 1.00 0.00 C ATOM 1401 NE ARG A 87 -7.045 -1.649 7.374 1.00 0.00 N ATOM 1402 CZ ARG A 87 -8.081 -2.270 6.814 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -7.906 -3.416 6.167 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -9.296 -1.745 6.903 1.00 0.00 N ATOM 0 H ARG A 87 -5.830 2.306 6.634 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.904 0.922 9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.497 0.181 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.800 0.429 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.683 -1.573 7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.915 -1.101 9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.382 -2.319 6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.621 -3.112 7.838 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.220 -0.771 7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.974 -3.825 6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.703 -3.887 5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.436 -0.866 7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.090 -2.221 6.474 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.243 2.756 8.811 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.066 3.193 9.561 1.00 0.00 C ATOM 1420 C ILE A 88 -2.486 3.657 10.953 1.00 0.00 C ATOM 1421 O ILE A 88 -2.766 4.836 11.165 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.279 4.339 8.869 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.459 4.332 7.345 1.00 0.00 C ATOM 1424 CG2 ILE A 88 0.201 4.236 9.211 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.847 5.683 6.786 1.00 0.00 C ATOM 0 H ILE A 88 -3.491 3.349 8.019 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.401 2.331 9.615 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.683 5.279 9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.530 4.005 6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.224 3.602 7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.745 5.044 8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.331 4.313 10.290 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.588 3.277 8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.959 5.611 5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.791 6.002 7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.071 6.411 7.023 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.544 2.718 11.894 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.950 3.028 13.260 1.00 0.00 C ATOM 1439 C VAL A 89 -1.898 3.861 13.983 1.00 0.00 C ATOM 1440 O VAL A 89 -0.820 3.369 14.314 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.216 1.746 14.072 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -3.812 2.084 15.430 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.129 0.805 13.301 1.00 0.00 C ATOM 0 H VAL A 89 -2.315 1.737 11.735 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.872 3.605 13.185 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.265 1.240 14.236 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.992 1.165 15.987 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.118 2.715 15.985 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.754 2.615 15.292 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.305 -0.095 13.890 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.079 1.301 13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.658 0.533 12.356 1.00 0.00 H new ATOM 1453 N THR A 90 -2.226 5.124 14.232 1.00 0.00 N ATOM 1454 CA THR A 90 -1.318 6.028 14.925 1.00 0.00 C ATOM 1455 C THR A 90 -1.582 6.004 16.427 1.00 0.00 C ATOM 1456 O THR A 90 -2.247 6.890 16.965 1.00 0.00 O ATOM 1457 CB THR A 90 -1.472 7.452 14.387 1.00 0.00 C ATOM 1458 OG1 THR A 90 -0.601 8.341 15.063 1.00 0.00 O ATOM 1459 CG2 THR A 90 -2.877 7.995 14.524 1.00 0.00 C ATOM 0 H THR A 90 -3.116 5.545 13.963 1.00 0.00 H new ATOM 0 HA THR A 90 -0.296 5.693 14.746 1.00 0.00 H new ATOM 0 HB THR A 90 -1.226 7.387 13.327 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.714 9.246 14.704 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.916 9.008 14.123 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.568 7.359 13.971 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.160 8.010 15.576 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.062 4.981 17.097 1.00 0.00 N ATOM 1468 CA LEU A 91 -1.247 4.835 18.537 1.00 0.00 C ATOM 1469 C LEU A 91 -0.465 5.900 19.299 1.00 0.00 C ATOM 1470 O LEU A 91 0.699 6.165 18.999 1.00 0.00 O ATOM 1471 CB LEU A 91 -0.808 3.438 18.986 1.00 0.00 C ATOM 1472 CG LEU A 91 -1.926 2.560 19.556 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.817 1.139 19.023 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -1.885 2.564 21.076 1.00 0.00 C ATOM 0 H LEU A 91 -0.509 4.240 16.666 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.306 4.965 18.759 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.360 2.924 18.136 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.029 3.544 19.741 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.883 2.973 19.236 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.620 0.531 19.440 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.898 1.151 17.936 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.855 0.715 19.311 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.687 1.935 21.463 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.924 2.177 21.415 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.015 3.583 21.441 1.00 0.00 H new ATOM 1486 N ARG A 92 -1.115 6.506 20.287 1.00 0.00 N ATOM 1487 CA ARG A 92 -0.485 7.542 21.096 1.00 0.00 C ATOM 1488 C ARG A 92 0.490 6.927 22.098 1.00 0.00 C ATOM 1489 O ARG A 92 0.225 6.891 23.300 1.00 0.00 O ATOM 1490 CB ARG A 92 -1.552 8.364 21.826 1.00 0.00 C ATOM 1491 CG ARG A 92 -1.414 9.864 21.615 1.00 0.00 C ATOM 1492 CD ARG A 92 -2.665 10.464 20.990 1.00 0.00 C ATOM 1493 NE ARG A 92 -3.081 11.689 21.668 1.00 0.00 N ATOM 1494 CZ ARG A 92 -3.647 11.715 22.872 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -3.866 10.585 23.534 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -3.996 12.873 23.417 1.00 0.00 N ATOM 0 H ARG A 92 -2.079 6.297 20.547 1.00 0.00 H new ATOM 0 HA ARG A 92 0.076 8.202 20.435 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.538 8.047 21.487 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.497 8.149 22.893 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.217 10.349 22.571 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.556 10.063 20.973 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.478 10.678 19.938 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.475 9.735 21.028 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.929 12.577 21.190 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.600 9.692 23.120 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.300 10.610 24.457 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.831 13.744 22.913 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.430 12.892 24.340 1.00 0.00 H new ATOM 1510 N GLY A 93 1.619 6.442 21.592 1.00 0.00 N ATOM 1511 CA GLY A 93 2.616 5.833 22.452 1.00 0.00 C ATOM 1512 C GLY A 93 3.338 4.685 21.775 1.00 0.00 C ATOM 1513 O GLY A 93 4.505 4.421 22.062 1.00 0.00 O ATOM 0 H GLY A 93 1.861 6.460 20.601 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.342 6.588 22.754 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.136 5.471 23.361 1.00 0.00 H new ATOM 1517 N VAL A 94 2.641 4.002 20.873 1.00 0.00 N ATOM 1518 CA VAL A 94 3.223 2.876 20.152 1.00 0.00 C ATOM 1519 C VAL A 94 3.850 3.336 18.842 1.00 0.00 C ATOM 1520 O VAL A 94 4.941 2.899 18.475 1.00 0.00 O ATOM 1521 CB VAL A 94 2.172 1.791 19.841 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.851 0.468 19.520 1.00 0.00 C ATOM 1523 CG2 VAL A 94 1.199 1.628 20.999 1.00 0.00 C ATOM 0 H VAL A 94 1.674 4.208 20.624 1.00 0.00 H new ATOM 0 HA VAL A 94 3.989 2.452 20.801 1.00 0.00 H new ATOM 0 HB VAL A 94 1.604 2.109 18.967 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.094 -0.286 19.303 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.498 0.593 18.652 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.447 0.148 20.375 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.468 0.857 20.754 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.746 1.338 21.896 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.684 2.572 21.178 1.00 0.00 H new ATOM 1533 N GLY A 95 3.149 4.219 18.140 1.00 0.00 N ATOM 1534 CA GLY A 95 3.644 4.725 16.875 1.00 0.00 C ATOM 1535 C GLY A 95 2.668 4.491 15.742 1.00 0.00 C ATOM 1536 O GLY A 95 1.553 5.012 15.758 1.00 0.00 O ATOM 0 H GLY A 95 2.244 4.594 18.426 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.843 5.793 16.966 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.593 4.243 16.640 1.00 0.00 H new ATOM 1540 N TYR A 96 3.085 3.704 14.758 1.00 0.00 N ATOM 1541 CA TYR A 96 2.235 3.401 13.613 1.00 0.00 C ATOM 1542 C TYR A 96 2.053 1.894 13.461 1.00 0.00 C ATOM 1543 O TYR A 96 2.987 1.181 13.096 1.00 0.00 O ATOM 1544 CB TYR A 96 2.839 3.988 12.333 1.00 0.00 C ATOM 1545 CG TYR A 96 2.057 5.148 11.741 1.00 0.00 C ATOM 1546 CD1 TYR A 96 0.689 5.296 11.963 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.696 6.100 10.958 1.00 0.00 C ATOM 1548 CE1 TYR A 96 -0.011 6.357 11.422 1.00 0.00 C ATOM 1549 CE2 TYR A 96 2.001 7.164 10.414 1.00 0.00 C ATOM 1550 CZ TYR A 96 0.649 7.288 10.649 1.00 0.00 C ATOM 1551 OH TYR A 96 -0.046 8.346 10.109 1.00 0.00 O ATOM 0 H TYR A 96 4.005 3.265 14.730 1.00 0.00 H new ATOM 0 HA TYR A 96 1.258 3.853 13.783 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.855 4.322 12.546 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.913 3.198 11.586 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.168 4.569 12.568 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.756 6.008 10.770 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.071 6.457 11.604 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.515 7.895 9.808 1.00 0.00 H new ATOM 0 HH TYR A 96 0.566 8.910 9.592 1.00 0.00 H new ATOM 1561 N LEU A 97 0.847 1.413 13.746 1.00 0.00 N ATOM 1562 CA LEU A 97 0.557 -0.012 13.640 1.00 0.00 C ATOM 1563 C LEU A 97 -0.463 -0.298 12.553 1.00 0.00 C ATOM 1564 O LEU A 97 -1.380 0.487 12.313 1.00 0.00 O ATOM 1565 CB LEU A 97 0.037 -0.561 14.974 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.717 -1.898 14.891 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -0.170 -2.896 15.899 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -2.210 -1.685 15.101 1.00 0.00 C ATOM 0 H LEU A 97 0.059 1.985 14.050 1.00 0.00 H new ATOM 0 HA LEU A 97 1.492 -0.508 13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.882 -0.682 15.651 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.624 0.182 15.420 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.565 -2.310 13.893 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.721 -3.833 15.819 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.885 -3.077 15.696 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.282 -2.494 16.906 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.726 -2.643 15.039 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.380 -1.244 16.083 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.594 -1.015 14.332 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.315 -1.456 11.932 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.235 -1.896 10.906 1.00 0.00 C ATOM 1582 C PHE A 98 -2.263 -2.828 11.538 1.00 0.00 C ATOM 1583 O PHE A 98 -1.969 -3.978 11.849 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.478 -2.603 9.782 1.00 0.00 C ATOM 1585 CG PHE A 98 -1.277 -2.766 8.519 1.00 0.00 C ATOM 1586 CD1 PHE A 98 -2.310 -3.687 8.449 1.00 0.00 C ATOM 1587 CD2 PHE A 98 -0.989 -2.001 7.399 1.00 0.00 C ATOM 1588 CE1 PHE A 98 -3.042 -3.842 7.287 1.00 0.00 C ATOM 1589 CE2 PHE A 98 -1.717 -2.151 6.234 1.00 0.00 C ATOM 1590 CZ PHE A 98 -2.744 -3.073 6.177 1.00 0.00 C ATOM 0 H PHE A 98 0.442 -2.111 12.126 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.746 -1.036 10.472 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.428 -2.040 9.557 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.164 -3.587 10.131 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.546 -4.291 9.313 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.186 -1.279 7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.845 -4.563 7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.483 -1.548 5.369 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.313 -3.193 5.267 1.00 0.00 H new ATOM 1600 N SER A 99 -3.458 -2.305 11.765 1.00 0.00 N ATOM 1601 CA SER A 99 -4.536 -3.066 12.402 1.00 0.00 C ATOM 1602 C SER A 99 -4.566 -4.519 11.937 1.00 0.00 C ATOM 1603 O SER A 99 -4.104 -4.850 10.846 1.00 0.00 O ATOM 1604 CB SER A 99 -5.885 -2.408 12.120 1.00 0.00 C ATOM 1605 OG SER A 99 -6.420 -2.843 10.881 1.00 0.00 O ATOM 0 H SER A 99 -3.713 -1.349 11.517 1.00 0.00 H new ATOM 0 HA SER A 99 -4.342 -3.064 13.475 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.583 -2.645 12.923 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.768 -1.324 12.108 1.00 0.00 H new ATOM 0 HG SER A 99 -7.269 -2.383 10.712 1.00 0.00 H new ATOM 1611 N ASP A 100 -5.101 -5.382 12.795 1.00 0.00 N ATOM 1612 CA ASP A 100 -5.186 -6.808 12.511 1.00 0.00 C ATOM 1613 C ASP A 100 -5.981 -7.095 11.242 1.00 0.00 C ATOM 1614 O ASP A 100 -5.830 -8.155 10.636 1.00 0.00 O ATOM 1615 CB ASP A 100 -5.821 -7.538 13.694 1.00 0.00 C ATOM 1616 CG ASP A 100 -4.835 -8.428 14.425 1.00 0.00 C ATOM 1617 OD1 ASP A 100 -4.004 -7.891 15.189 1.00 0.00 O ATOM 1618 OD2 ASP A 100 -4.892 -9.660 14.234 1.00 0.00 O ATOM 0 H ASP A 100 -5.485 -5.114 13.701 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.170 -7.170 12.353 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.231 -6.806 14.391 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.656 -8.142 13.338 1.00 0.00 H new ATOM 1623 N ASP A 101 -6.835 -6.154 10.855 1.00 0.00 N ATOM 1624 CA ASP A 101 -7.669 -6.310 9.661 1.00 0.00 C ATOM 1625 C ASP A 101 -6.894 -6.969 8.519 1.00 0.00 C ATOM 1626 O ASP A 101 -7.149 -8.124 8.177 1.00 0.00 O ATOM 1627 CB ASP A 101 -8.205 -4.949 9.210 1.00 0.00 C ATOM 1628 CG ASP A 101 -9.699 -4.973 8.951 1.00 0.00 C ATOM 1629 OD1 ASP A 101 -10.249 -6.076 8.750 1.00 0.00 O ATOM 1630 OD2 ASP A 101 -10.318 -3.888 8.950 1.00 0.00 O ATOM 0 H ASP A 101 -6.971 -5.272 11.349 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.504 -6.960 9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.983 -4.203 9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -7.687 -4.640 8.302 1.00 0.00 H new ATOM 1635 N GLY A 102 -5.942 -6.229 7.948 1.00 0.00 N ATOM 1636 CA GLY A 102 -5.121 -6.743 6.855 1.00 0.00 C ATOM 1637 C GLY A 102 -5.830 -7.768 5.987 1.00 0.00 C ATOM 1638 O GLY A 102 -5.612 -8.971 6.133 1.00 0.00 O ATOM 0 H GLY A 102 -5.722 -5.272 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.802 -5.909 6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.220 -7.193 7.271 1.00 0.00 H new ATOM 1642 N ASP A 103 -6.678 -7.293 5.082 1.00 0.00 N ATOM 1643 CA ASP A 103 -7.417 -8.179 4.192 1.00 0.00 C ATOM 1644 C ASP A 103 -6.471 -8.910 3.242 1.00 0.00 C ATOM 1645 O ASP A 103 -6.192 -8.436 2.141 1.00 0.00 O ATOM 1646 CB ASP A 103 -8.452 -7.383 3.394 1.00 0.00 C ATOM 1647 CG ASP A 103 -9.828 -8.017 3.439 1.00 0.00 C ATOM 1648 OD1 ASP A 103 -9.907 -9.260 3.535 1.00 0.00 O ATOM 1649 OD2 ASP A 103 -10.828 -7.270 3.379 1.00 0.00 O ATOM 0 H ASP A 103 -6.870 -6.301 4.946 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.932 -8.922 4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.509 -6.369 3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.125 -7.304 2.357 1.00 0.00 H new ATOM 1654 N LYS A 104 -5.980 -10.068 3.677 1.00 0.00 N ATOM 1655 CA LYS A 104 -5.065 -10.866 2.867 1.00 0.00 C ATOM 1656 C LYS A 104 -5.685 -11.207 1.515 1.00 0.00 C ATOM 1657 O LYS A 104 -6.907 -11.268 1.379 1.00 0.00 O ATOM 1658 CB LYS A 104 -4.684 -12.151 3.608 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.227 -12.195 4.043 1.00 0.00 C ATOM 1660 CD LYS A 104 -2.310 -12.574 2.889 1.00 0.00 C ATOM 1661 CE LYS A 104 -1.560 -13.866 3.172 1.00 0.00 C ATOM 1662 NZ LYS A 104 -2.472 -15.043 3.205 1.00 0.00 N ATOM 0 H LYS A 104 -6.201 -10.474 4.586 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.166 -10.275 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.320 -12.256 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.888 -13.006 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.934 -11.222 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.110 -12.915 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.898 -12.686 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.596 -11.770 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.798 -14.018 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.041 -13.782 4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.322 -15.574 4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.459 -14.719 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.273 -15.659 2.391 1.00 0.00 H new ATOM 1676 N LYS A 105 -4.835 -11.432 0.518 1.00 0.00 N ATOM 1677 CA LYS A 105 -5.296 -11.768 -0.819 1.00 0.00 C ATOM 1678 C LYS A 105 -4.283 -12.651 -1.541 1.00 0.00 C ATOM 1679 O LYS A 105 -3.207 -12.192 -1.925 1.00 0.00 O ATOM 1680 CB LYS A 105 -5.554 -10.498 -1.630 1.00 0.00 C ATOM 1681 CG LYS A 105 -6.563 -10.685 -2.751 1.00 0.00 C ATOM 1682 CD LYS A 105 -6.131 -11.778 -3.715 1.00 0.00 C ATOM 1683 CE LYS A 105 -7.055 -11.856 -4.919 1.00 0.00 C ATOM 1684 NZ LYS A 105 -7.155 -10.552 -5.630 1.00 0.00 N ATOM 0 H LYS A 105 -3.821 -11.387 0.614 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.229 -12.323 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.909 -9.715 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.612 -10.151 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.536 -10.936 -2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.683 -9.747 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.111 -11.587 -4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.123 -12.738 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.689 -12.618 -5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.047 -12.169 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.546 -10.705 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.780 -9.913 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.210 -10.126 -5.708 1.00 0.00 H new ATOM 1698 N PHE A 106 -4.635 -13.920 -1.723 1.00 0.00 N ATOM 1699 CA PHE A 106 -3.760 -14.867 -2.399 1.00 0.00 C ATOM 1700 C PHE A 106 -3.712 -14.587 -3.898 1.00 0.00 C ATOM 1701 O PHE A 106 -4.747 -14.406 -4.540 1.00 0.00 O ATOM 1702 CB PHE A 106 -4.233 -16.301 -2.147 1.00 0.00 C ATOM 1703 CG PHE A 106 -3.410 -17.033 -1.125 1.00 0.00 C ATOM 1704 CD1 PHE A 106 -3.661 -16.876 0.228 1.00 0.00 C ATOM 1705 CD2 PHE A 106 -2.385 -17.878 -1.519 1.00 0.00 C ATOM 1706 CE1 PHE A 106 -2.905 -17.547 1.170 1.00 0.00 C ATOM 1707 CE2 PHE A 106 -1.625 -18.552 -0.582 1.00 0.00 C ATOM 1708 CZ PHE A 106 -1.885 -18.387 0.764 1.00 0.00 C ATOM 0 H PHE A 106 -5.522 -14.315 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.755 -14.749 -1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -5.272 -16.280 -1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.207 -16.854 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.457 -16.221 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.178 -18.011 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.111 -17.415 2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.828 -19.207 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.293 -18.913 1.498 1.00 0.00 H new ATOM 1718 N SER A 107 -2.503 -14.552 -4.450 1.00 0.00 N ATOM 1719 CA SER A 107 -2.318 -14.293 -5.873 1.00 0.00 C ATOM 1720 C SER A 107 -2.970 -15.387 -6.713 1.00 0.00 C ATOM 1721 O SER A 107 -2.356 -16.417 -6.993 1.00 0.00 O ATOM 1722 CB SER A 107 -0.827 -14.194 -6.206 1.00 0.00 C ATOM 1723 OG SER A 107 -0.033 -14.733 -5.163 1.00 0.00 O ATOM 0 H SER A 107 -1.636 -14.700 -3.933 1.00 0.00 H new ATOM 0 HA SER A 107 -2.798 -13.344 -6.111 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.623 -14.727 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.557 -13.151 -6.371 1.00 0.00 H new ATOM 0 HG SER A 107 0.915 -14.659 -5.402 1.00 0.00 H new ATOM 1729 N GLN A 108 -4.217 -15.157 -7.112 1.00 0.00 N ATOM 1730 CA GLN A 108 -4.952 -16.122 -7.919 1.00 0.00 C ATOM 1731 C GLN A 108 -4.334 -16.259 -9.307 1.00 0.00 C ATOM 1732 O GLN A 108 -4.307 -17.348 -9.880 1.00 0.00 O ATOM 1733 CB GLN A 108 -6.418 -15.703 -8.040 1.00 0.00 C ATOM 1734 CG GLN A 108 -7.377 -16.876 -8.163 1.00 0.00 C ATOM 1735 CD GLN A 108 -8.238 -17.058 -6.928 1.00 0.00 C ATOM 1736 OE1 GLN A 108 -8.112 -18.050 -6.210 1.00 0.00 O ATOM 1737 NE2 GLN A 108 -9.119 -16.097 -6.675 1.00 0.00 N ATOM 0 H GLN A 108 -4.739 -14.310 -6.889 1.00 0.00 H new ATOM 0 HA GLN A 108 -4.896 -17.090 -7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.691 -15.111 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -6.532 -15.058 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.020 -16.725 -9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.808 -17.788 -8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -9.189 -15.292 -7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.726 -16.164 -5.858 1.00 0.00 H new ATOM 1746 N GLN A 109 -3.840 -15.148 -9.842 1.00 0.00 N ATOM 1747 CA GLN A 109 -3.223 -15.144 -11.165 1.00 0.00 C ATOM 1748 C GLN A 109 -2.043 -16.110 -11.220 1.00 0.00 C ATOM 1749 O GLN A 109 -1.014 -15.885 -10.583 1.00 0.00 O ATOM 1750 CB GLN A 109 -2.760 -13.733 -11.530 1.00 0.00 C ATOM 1751 CG GLN A 109 -2.225 -13.617 -12.948 1.00 0.00 C ATOM 1752 CD GLN A 109 -2.167 -12.182 -13.433 1.00 0.00 C ATOM 1753 OE1 GLN A 109 -2.968 -11.765 -14.269 1.00 0.00 O ATOM 1754 NE2 GLN A 109 -1.216 -11.418 -12.909 1.00 0.00 N ATOM 0 H GLN A 109 -3.854 -14.238 -9.381 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.970 -15.472 -11.887 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.595 -13.043 -11.408 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.984 -13.422 -10.831 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.227 -14.052 -12.993 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.857 -14.198 -13.620 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.573 -11.806 -12.218 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.128 -10.443 -13.197 1.00 0.00 H new ATOM 1763 N ASP A 110 -2.201 -17.185 -11.985 1.00 0.00 N ATOM 1764 CA ASP A 110 -1.148 -18.186 -12.124 1.00 0.00 C ATOM 1765 C ASP A 110 -0.551 -18.166 -13.527 1.00 0.00 C ATOM 1766 O ASP A 110 0.588 -18.584 -13.734 1.00 0.00 O ATOM 1767 CB ASP A 110 -1.696 -19.579 -11.810 1.00 0.00 C ATOM 1768 CG ASP A 110 -0.607 -20.548 -11.394 1.00 0.00 C ATOM 1769 OD1 ASP A 110 -0.126 -20.443 -10.246 1.00 0.00 O ATOM 1770 OD2 ASP A 110 -0.234 -21.412 -12.215 1.00 0.00 O ATOM 0 H ASP A 110 -3.047 -17.386 -12.518 1.00 0.00 H new ATOM 0 HA ASP A 110 -0.358 -17.943 -11.413 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.436 -19.504 -11.013 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.211 -19.970 -12.687 1.00 0.00 H new ATOM 1775 N THR A 111 -1.327 -17.680 -14.487 1.00 0.00 N ATOM 1776 CA THR A 111 -0.878 -17.606 -15.872 1.00 0.00 C ATOM 1777 C THR A 111 0.291 -16.639 -16.018 1.00 0.00 C ATOM 1778 O THR A 111 0.588 -15.865 -15.108 1.00 0.00 O ATOM 1779 CB THR A 111 -2.029 -17.173 -16.780 1.00 0.00 C ATOM 1780 OG1 THR A 111 -3.256 -17.721 -16.332 1.00 0.00 O ATOM 1781 CG2 THR A 111 -1.841 -17.587 -18.224 1.00 0.00 C ATOM 0 H THR A 111 -2.273 -17.330 -14.332 1.00 0.00 H new ATOM 0 HA THR A 111 -0.541 -18.599 -16.170 1.00 0.00 H new ATOM 0 HB THR A 111 -2.042 -16.084 -16.730 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.980 -17.431 -16.925 1.00 0.00 H new ATOM 0 HG21 THR A 111 -2.693 -17.249 -18.813 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.928 -17.138 -18.615 1.00 0.00 H new ATOM 0 HG23 THR A 111 -1.766 -18.673 -18.284 1.00 0.00 H new ATOM 1789 N LYS A 112 0.949 -16.686 -17.171 1.00 0.00 N ATOM 1790 CA LYS A 112 2.082 -15.815 -17.443 1.00 0.00 C ATOM 1791 C LYS A 112 2.340 -15.711 -18.943 1.00 0.00 C ATOM 1792 O LYS A 112 1.921 -16.573 -19.716 1.00 0.00 O ATOM 1793 CB LYS A 112 3.335 -16.330 -16.731 1.00 0.00 C ATOM 1794 CG LYS A 112 4.337 -15.237 -16.397 1.00 0.00 C ATOM 1795 CD LYS A 112 5.589 -15.808 -15.750 1.00 0.00 C ATOM 1796 CE LYS A 112 6.199 -14.830 -14.758 1.00 0.00 C ATOM 1797 NZ LYS A 112 6.915 -15.531 -13.656 1.00 0.00 N ATOM 0 H LYS A 112 0.715 -17.321 -17.934 1.00 0.00 H new ATOM 0 HA LYS A 112 1.843 -14.822 -17.064 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.039 -16.834 -15.811 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.820 -17.076 -17.361 1.00 0.00 H new ATOM 0 HG2 LYS A 112 4.608 -14.700 -17.306 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.877 -14.513 -15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.344 -16.740 -15.240 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.321 -16.050 -16.521 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.892 -14.169 -15.279 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.414 -14.201 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.316 -14.830 -13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.248 -16.142 -13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.681 -16.111 -14.054 1.00 0.00 H new ATOM 1811 N LEU A 113 3.033 -14.652 -19.348 1.00 0.00 N ATOM 1812 CA LEU A 113 3.348 -14.437 -20.750 1.00 0.00 C ATOM 1813 C LEU A 113 4.662 -13.677 -20.904 1.00 0.00 C ATOM 1814 O LEU A 113 4.722 -12.468 -20.681 1.00 0.00 O ATOM 1815 CB LEU A 113 2.216 -13.673 -21.441 1.00 0.00 C ATOM 1816 CG LEU A 113 2.446 -13.375 -22.924 1.00 0.00 C ATOM 1817 CD1 LEU A 113 2.484 -14.665 -23.728 1.00 0.00 C ATOM 1818 CD2 LEU A 113 1.363 -12.447 -23.454 1.00 0.00 C ATOM 0 H LEU A 113 3.387 -13.929 -18.721 1.00 0.00 H new ATOM 0 HA LEU A 113 3.457 -15.413 -21.224 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.296 -14.248 -21.340 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.062 -12.730 -20.916 1.00 0.00 H new ATOM 0 HG LEU A 113 3.409 -12.876 -23.030 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.648 -14.433 -24.780 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.295 -15.296 -23.365 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.536 -15.191 -23.616 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.542 -12.245 -24.510 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.388 -12.920 -23.335 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.382 -11.510 -22.897 1.00 0.00 H new ATOM 1830 N SER A 114 5.712 -14.397 -21.285 1.00 0.00 N ATOM 1831 CA SER A 114 7.027 -13.794 -21.467 1.00 0.00 C ATOM 1832 C SER A 114 6.989 -12.714 -22.544 1.00 0.00 C ATOM 1833 O SER A 114 6.712 -12.996 -23.710 1.00 0.00 O ATOM 1834 CB SER A 114 8.053 -14.866 -21.842 1.00 0.00 C ATOM 1835 OG SER A 114 9.321 -14.580 -21.278 1.00 0.00 O ATOM 0 H SER A 114 5.678 -15.399 -21.474 1.00 0.00 H new ATOM 0 HA SER A 114 7.319 -13.331 -20.525 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.709 -15.840 -21.495 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.140 -14.927 -22.927 1.00 0.00 H new ATOM 0 HG SER A 114 9.957 -15.281 -21.531 1.00 0.00 H new ATOM 1841 N LEU A 115 7.273 -11.477 -22.147 1.00 0.00 N ATOM 1842 CA LEU A 115 7.275 -10.361 -23.071 1.00 0.00 C ATOM 1843 C LEU A 115 8.282 -10.586 -24.194 1.00 0.00 C ATOM 1844 O LEU A 115 9.460 -10.844 -23.942 1.00 0.00 O ATOM 1845 CB LEU A 115 7.600 -9.072 -22.319 1.00 0.00 C ATOM 1846 CG LEU A 115 8.806 -9.145 -21.379 1.00 0.00 C ATOM 1847 CD1 LEU A 115 10.083 -8.773 -22.117 1.00 0.00 C ATOM 1848 CD2 LEU A 115 8.597 -8.235 -20.178 1.00 0.00 C ATOM 0 H LEU A 115 7.505 -11.227 -21.186 1.00 0.00 H new ATOM 0 HA LEU A 115 6.285 -10.277 -23.518 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.777 -8.281 -23.048 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.725 -8.780 -21.738 1.00 0.00 H new ATOM 0 HG LEU A 115 8.905 -10.170 -21.022 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.929 -8.831 -21.432 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.239 -9.464 -22.945 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.997 -7.757 -22.503 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.463 -8.298 -19.519 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.473 -7.207 -20.518 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.705 -8.548 -19.636 1.00 0.00 H new ATOM 1860 N GLU A 116 7.812 -10.491 -25.433 1.00 0.00 N ATOM 1861 CA GLU A 116 8.672 -10.688 -26.593 1.00 0.00 C ATOM 1862 C GLU A 116 8.195 -9.848 -27.774 1.00 0.00 C ATOM 1863 O GLU A 116 8.912 -9.806 -28.796 1.00 0.00 O ATOM 1864 CB GLU A 116 8.703 -12.167 -26.983 1.00 0.00 C ATOM 1865 CG GLU A 116 10.001 -12.594 -27.648 1.00 0.00 C ATOM 1866 CD GLU A 116 11.114 -12.842 -26.649 1.00 0.00 C ATOM 1867 OE1 GLU A 116 11.083 -13.892 -25.974 1.00 0.00 O ATOM 1868 OE2 GLU A 116 12.017 -11.986 -26.541 1.00 0.00 O ATOM 0 H GLU A 116 6.840 -10.279 -25.659 1.00 0.00 H new ATOM 0 HA GLU A 116 9.679 -10.367 -26.327 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.545 -12.773 -26.091 1.00 0.00 H new ATOM 0 HB3 GLU A 116 7.873 -12.373 -27.659 1.00 0.00 H new ATOM 0 HG2 GLU A 116 9.827 -13.502 -28.226 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.315 -11.823 -28.352 1.00 0.00 H new TER 1875 GLU A 116