USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 990 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 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 117 THR OG1 : rot 180:sc= -0.56 USER MOD Set 2.1: A 50 ASN : amide:sc= -2.83! C(o=-2!,f=-2.4!) USER MOD Set 2.2: A 52 THR OG1 : rot 53:sc= 0.792 USER MOD Set 3.1: A 43 HIS :FLIP no HD1:sc= -1.47 X(o=-2.4,f=-2.2) USER MOD Set 3.2: A 45 GLN : amide:sc= -0.7 X(o=-2.2,f=-2.4) USER MOD Set 4.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 16 ASN : amide:sc= -1.15 K(o=-1.8,f=-13!) USER MOD Set 5.2: A 94 TYR OH : rot 180:sc= -0.615 USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0 (180deg=-0.0543) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -73:sc= 0.692 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.393) USER MOD Single : A 31 SER OG : rot 15:sc= -0.364 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.685) USER MOD Single : A 38 GLN : amide:sc= -6.47! C(o=-6.5!,f=-7.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -31:sc= 1.01 USER MOD Single : A 80 MET CE :methyl 136:sc= -1.04 (180deg=-2.67) USER MOD Single : A 87 MET CE :methyl -164:sc=-0.00875 (180deg=-0.235) USER MOD Single : A 89 THR OG1 : rot -82:sc= 0.114 USER MOD Single : A 92 SER OG : rot 160:sc=0.000297 USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0888) USER MOD Single : A 95 CYS SG : rot 160:sc= -0.294 USER MOD Single : A 96 TYR OH : rot 130:sc= -0.14 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 101 SER OG : rot -132:sc= 0.371 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.289 F(o=-1.1,f=-0.29) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 131:sc= -2.06! (180deg=-3.38!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.109 -32.423 -6.220 1.00 0.00 N ATOM 2 CA GLY A 1 -11.969 -32.413 -5.322 1.00 0.00 C ATOM 3 C GLY A 1 -11.704 -31.041 -4.736 1.00 0.00 C ATOM 4 O GLY A 1 -10.552 -30.628 -4.601 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.177 -33.351 -6.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.979 -32.242 -5.679 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.989 -31.683 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.142 -33.123 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.084 -32.752 -5.860 1.00 0.00 H new ATOM 8 N SER A 2 -12.773 -30.332 -4.388 1.00 0.00 N ATOM 9 CA SER A 2 -12.651 -28.995 -3.818 1.00 0.00 C ATOM 10 C SER A 2 -11.511 -28.938 -2.805 1.00 0.00 C ATOM 11 O SER A 2 -11.620 -29.470 -1.701 1.00 0.00 O ATOM 12 CB SER A 2 -13.963 -28.581 -3.149 1.00 0.00 C ATOM 13 OG SER A 2 -13.897 -27.246 -2.679 1.00 0.00 O ATOM 0 H SER A 2 -13.733 -30.661 -4.491 1.00 0.00 H new ATOM 0 HA SER A 2 -12.429 -28.301 -4.628 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.784 -28.680 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.179 -29.252 -2.318 1.00 0.00 H new ATOM 0 HG SER A 2 -14.748 -27.005 -2.257 1.00 0.00 H new ATOM 19 N SER A 3 -10.417 -28.289 -3.191 1.00 0.00 N ATOM 20 CA SER A 3 -9.254 -28.165 -2.320 1.00 0.00 C ATOM 21 C SER A 3 -8.226 -27.210 -2.918 1.00 0.00 C ATOM 22 O SER A 3 -8.190 -26.998 -4.130 1.00 0.00 O ATOM 23 CB SER A 3 -8.617 -29.537 -2.086 1.00 0.00 C ATOM 24 OG SER A 3 -8.053 -30.048 -3.281 1.00 0.00 O ATOM 0 H SER A 3 -10.312 -27.841 -4.101 1.00 0.00 H new ATOM 0 HA SER A 3 -9.588 -27.759 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.845 -29.457 -1.321 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.368 -30.231 -1.709 1.00 0.00 H new ATOM 0 HG SER A 3 -8.770 -30.331 -3.886 1.00 0.00 H new ATOM 30 N GLY A 4 -7.390 -26.636 -2.058 1.00 0.00 N ATOM 31 CA GLY A 4 -6.372 -25.710 -2.519 1.00 0.00 C ATOM 32 C GLY A 4 -5.612 -25.067 -1.376 1.00 0.00 C ATOM 33 O GLY A 4 -4.761 -25.702 -0.753 1.00 0.00 O ATOM 0 H GLY A 4 -7.400 -26.796 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.671 -26.238 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.839 -24.932 -3.123 1.00 0.00 H new ATOM 37 N SER A 5 -5.918 -23.804 -1.100 1.00 0.00 N ATOM 38 CA SER A 5 -5.254 -23.073 -0.028 1.00 0.00 C ATOM 39 C SER A 5 -6.221 -22.790 1.118 1.00 0.00 C ATOM 40 O SER A 5 -7.280 -22.195 0.918 1.00 0.00 O ATOM 41 CB SER A 5 -4.677 -21.759 -0.558 1.00 0.00 C ATOM 42 OG SER A 5 -3.552 -21.994 -1.387 1.00 0.00 O ATOM 0 H SER A 5 -6.622 -23.265 -1.604 1.00 0.00 H new ATOM 0 HA SER A 5 -4.441 -23.693 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.442 -21.223 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.390 -21.121 0.278 1.00 0.00 H new ATOM 0 HG SER A 5 -3.203 -21.139 -1.714 1.00 0.00 H new ATOM 48 N SER A 6 -5.850 -23.223 2.318 1.00 0.00 N ATOM 49 CA SER A 6 -6.685 -23.021 3.496 1.00 0.00 C ATOM 50 C SER A 6 -6.193 -21.831 4.314 1.00 0.00 C ATOM 51 O SER A 6 -5.187 -21.207 3.979 1.00 0.00 O ATOM 52 CB SER A 6 -6.695 -24.282 4.363 1.00 0.00 C ATOM 53 OG SER A 6 -7.634 -25.226 3.880 1.00 0.00 O ATOM 0 H SER A 6 -4.976 -23.716 2.500 1.00 0.00 H new ATOM 0 HA SER A 6 -7.700 -22.812 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.700 -24.727 4.374 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.937 -24.017 5.392 1.00 0.00 H new ATOM 0 HG SER A 6 -7.620 -26.023 4.450 1.00 0.00 H new ATOM 59 N GLY A 7 -6.910 -21.523 5.390 1.00 0.00 N ATOM 60 CA GLY A 7 -6.532 -20.409 6.240 1.00 0.00 C ATOM 61 C GLY A 7 -7.207 -19.114 5.834 1.00 0.00 C ATOM 62 O GLY A 7 -7.274 -18.788 4.649 1.00 0.00 O ATOM 0 H GLY A 7 -7.746 -22.025 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.790 -20.641 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.450 -20.278 6.203 1.00 0.00 H new ATOM 66 N GLU A 8 -7.711 -18.377 6.818 1.00 0.00 N ATOM 67 CA GLU A 8 -8.386 -17.111 6.555 1.00 0.00 C ATOM 68 C GLU A 8 -7.743 -15.976 7.346 1.00 0.00 C ATOM 69 O GLU A 8 -8.431 -15.085 7.843 1.00 0.00 O ATOM 70 CB GLU A 8 -9.871 -17.217 6.910 1.00 0.00 C ATOM 71 CG GLU A 8 -10.737 -16.175 6.222 1.00 0.00 C ATOM 72 CD GLU A 8 -12.205 -16.554 6.207 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.506 -17.749 6.002 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.052 -15.657 6.399 1.00 0.00 O ATOM 0 H GLU A 8 -7.665 -18.634 7.804 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.288 -16.890 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.230 -18.210 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.986 -17.118 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.618 -15.217 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.390 -16.039 5.198 1.00 0.00 H new ATOM 81 N GLU A 9 -6.419 -16.017 7.458 1.00 0.00 N ATOM 82 CA GLU A 9 -5.683 -14.993 8.190 1.00 0.00 C ATOM 83 C GLU A 9 -5.656 -13.681 7.411 1.00 0.00 C ATOM 84 O GLU A 9 -5.680 -12.599 7.997 1.00 0.00 O ATOM 85 CB GLU A 9 -4.253 -15.462 8.470 1.00 0.00 C ATOM 86 CG GLU A 9 -3.595 -16.147 7.284 1.00 0.00 C ATOM 87 CD GLU A 9 -3.837 -17.644 7.267 1.00 0.00 C ATOM 88 OE1 GLU A 9 -4.024 -18.227 8.356 1.00 0.00 O ATOM 89 OE2 GLU A 9 -3.838 -18.233 6.166 1.00 0.00 O ATOM 0 H GLU A 9 -5.835 -16.748 7.052 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.194 -14.823 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.649 -14.604 8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.264 -16.149 9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.975 -15.711 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.522 -15.956 7.308 1.00 0.00 H new ATOM 96 N TRP A 10 -5.605 -13.787 6.088 1.00 0.00 N ATOM 97 CA TRP A 10 -5.574 -12.609 5.228 1.00 0.00 C ATOM 98 C TRP A 10 -6.607 -12.723 4.112 1.00 0.00 C ATOM 99 O TRP A 10 -7.361 -13.695 4.047 1.00 0.00 O ATOM 100 CB TRP A 10 -4.178 -12.425 4.631 1.00 0.00 C ATOM 101 CG TRP A 10 -3.165 -11.946 5.626 1.00 0.00 C ATOM 102 CD1 TRP A 10 -2.763 -12.590 6.762 1.00 0.00 C ATOM 103 CD2 TRP A 10 -2.428 -10.720 5.576 1.00 0.00 C ATOM 104 NE1 TRP A 10 -1.821 -11.837 7.420 1.00 0.00 N ATOM 105 CE2 TRP A 10 -1.596 -10.686 6.713 1.00 0.00 C ATOM 106 CE3 TRP A 10 -2.387 -9.648 4.680 1.00 0.00 C ATOM 107 CZ2 TRP A 10 -0.737 -9.623 6.975 1.00 0.00 C ATOM 108 CZ3 TRP A 10 -1.534 -8.593 4.942 1.00 0.00 C ATOM 109 CH2 TRP A 10 -0.718 -8.587 6.081 1.00 0.00 C ATOM 0 H TRP A 10 -5.584 -14.676 5.588 1.00 0.00 H new ATOM 0 HA TRP A 10 -5.819 -11.738 5.837 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.843 -13.373 4.210 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.234 -11.712 3.808 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -3.131 -13.549 7.094 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -1.363 -12.094 8.294 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.011 -9.644 3.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.108 -9.616 7.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.496 -7.759 4.257 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.061 -7.748 6.257 1.00 0.00 H new ATOM 120 N LEU A 11 -6.636 -11.726 3.235 1.00 0.00 N ATOM 121 CA LEU A 11 -7.576 -11.715 2.120 1.00 0.00 C ATOM 122 C LEU A 11 -6.844 -11.836 0.788 1.00 0.00 C ATOM 123 O LEU A 11 -5.847 -11.153 0.551 1.00 0.00 O ATOM 124 CB LEU A 11 -8.408 -10.431 2.142 1.00 0.00 C ATOM 125 CG LEU A 11 -9.134 -10.079 0.843 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.394 -9.280 1.135 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.213 -9.305 -0.089 1.00 0.00 C ATOM 0 H LEU A 11 -6.019 -10.915 3.274 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.239 -12.573 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.149 -10.515 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.752 -9.601 2.404 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.424 -11.006 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.897 -9.039 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.061 -9.870 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.128 -8.358 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.746 -9.063 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.893 -8.384 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.340 -9.913 -0.325 1.00 0.00 H new ATOM 139 N ASP A 12 -7.345 -12.709 -0.080 1.00 0.00 N ATOM 140 CA ASP A 12 -6.740 -12.918 -1.390 1.00 0.00 C ATOM 141 C ASP A 12 -7.347 -11.976 -2.425 1.00 0.00 C ATOM 142 O ASP A 12 -8.442 -12.218 -2.933 1.00 0.00 O ATOM 143 CB ASP A 12 -6.923 -14.370 -1.834 1.00 0.00 C ATOM 144 CG ASP A 12 -6.066 -15.332 -1.036 1.00 0.00 C ATOM 145 OD1 ASP A 12 -5.064 -14.882 -0.442 1.00 0.00 O ATOM 146 OD2 ASP A 12 -6.398 -16.535 -1.004 1.00 0.00 O ATOM 0 H ASP A 12 -8.169 -13.283 0.100 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.675 -12.703 -1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.971 -14.649 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.674 -14.458 -2.892 1.00 0.00 H new ATOM 151 N ILE A 13 -6.628 -10.901 -2.732 1.00 0.00 N ATOM 152 CA ILE A 13 -7.096 -9.923 -3.707 1.00 0.00 C ATOM 153 C ILE A 13 -7.067 -10.497 -5.119 1.00 0.00 C ATOM 154 O ILE A 13 -7.955 -10.228 -5.929 1.00 0.00 O ATOM 155 CB ILE A 13 -6.247 -8.639 -3.668 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.300 -8.008 -2.275 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.729 -7.653 -4.721 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.318 -6.873 -2.089 1.00 0.00 C ATOM 0 H ILE A 13 -5.720 -10.685 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.124 -9.677 -3.439 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.212 -8.899 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.309 -7.639 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.100 -8.777 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.119 -6.751 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.643 -8.105 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.771 -7.396 -4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.411 -6.473 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.303 -7.241 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.531 -6.085 -2.812 1.00 0.00 H new ATOM 170 N LEU A 14 -6.041 -11.290 -5.408 1.00 0.00 N ATOM 171 CA LEU A 14 -5.896 -11.905 -6.723 1.00 0.00 C ATOM 172 C LEU A 14 -6.432 -13.333 -6.719 1.00 0.00 C ATOM 173 O LEU A 14 -6.905 -13.832 -7.739 1.00 0.00 O ATOM 174 CB LEU A 14 -4.428 -11.900 -7.151 1.00 0.00 C ATOM 175 CG LEU A 14 -3.756 -10.529 -7.229 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.243 -10.671 -7.172 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.177 -9.800 -8.497 1.00 0.00 C ATOM 0 H LEU A 14 -5.297 -11.522 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.478 -11.321 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.865 -12.519 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.354 -12.375 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.077 -9.940 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.783 -9.685 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.958 -11.151 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.903 -11.279 -8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.689 -8.826 -8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.885 -10.387 -9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.259 -9.664 -8.497 1.00 0.00 H new ATOM 189 N GLY A 15 -6.356 -13.985 -5.562 1.00 0.00 N ATOM 190 CA GLY A 15 -6.839 -15.348 -5.446 1.00 0.00 C ATOM 191 C GLY A 15 -5.712 -16.353 -5.312 1.00 0.00 C ATOM 192 O GLY A 15 -5.863 -17.380 -4.652 1.00 0.00 O ATOM 0 H GLY A 15 -5.969 -13.593 -4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.495 -15.425 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.438 -15.594 -6.323 1.00 0.00 H new ATOM 196 N ASN A 16 -4.578 -16.056 -5.940 1.00 0.00 N ATOM 197 CA ASN A 16 -3.422 -16.943 -5.889 1.00 0.00 C ATOM 198 C ASN A 16 -2.874 -17.042 -4.468 1.00 0.00 C ATOM 199 O ASN A 16 -2.703 -18.136 -3.932 1.00 0.00 O ATOM 200 CB ASN A 16 -2.328 -16.443 -6.835 1.00 0.00 C ATOM 201 CG ASN A 16 -2.274 -14.930 -6.909 1.00 0.00 C ATOM 202 OD1 ASN A 16 -2.585 -14.238 -5.939 1.00 0.00 O ATOM 203 ND2 ASN A 16 -1.879 -14.408 -8.064 1.00 0.00 N ATOM 0 H ASN A 16 -4.436 -15.209 -6.489 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.743 -17.935 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.362 -16.822 -6.501 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.502 -16.847 -7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.824 -13.395 -8.174 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.631 -15.020 -8.842 1.00 0.00 H new ATOM 210 N GLY A 17 -2.601 -15.889 -3.863 1.00 0.00 N ATOM 211 CA GLY A 17 -2.077 -15.868 -2.510 1.00 0.00 C ATOM 212 C GLY A 17 -0.950 -14.869 -2.341 1.00 0.00 C ATOM 213 O GLY A 17 -0.591 -14.509 -1.219 1.00 0.00 O ATOM 0 H GLY A 17 -2.733 -14.970 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.881 -15.625 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.719 -16.863 -2.247 1.00 0.00 H new ATOM 217 N LEU A 18 -0.387 -14.420 -3.458 1.00 0.00 N ATOM 218 CA LEU A 18 0.708 -13.456 -3.429 1.00 0.00 C ATOM 219 C LEU A 18 0.264 -12.145 -2.789 1.00 0.00 C ATOM 220 O LEU A 18 0.682 -11.809 -1.680 1.00 0.00 O ATOM 221 CB LEU A 18 1.223 -13.197 -4.846 1.00 0.00 C ATOM 222 CG LEU A 18 2.234 -14.208 -5.388 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.312 -14.492 -4.353 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.534 -15.494 -5.799 1.00 0.00 C ATOM 0 H LEU A 18 -0.671 -14.708 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 18 1.514 -13.877 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.369 -13.170 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.680 -12.208 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 18 2.710 -13.780 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.023 -15.214 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.834 -13.567 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.853 -14.899 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.269 -16.202 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.030 -15.926 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.800 -15.277 -6.575 1.00 0.00 H new ATOM 236 N LEU A 19 -0.588 -11.408 -3.494 1.00 0.00 N ATOM 237 CA LEU A 19 -1.092 -10.134 -2.994 1.00 0.00 C ATOM 238 C LEU A 19 -2.179 -10.351 -1.946 1.00 0.00 C ATOM 239 O LEU A 19 -3.220 -10.945 -2.231 1.00 0.00 O ATOM 240 CB LEU A 19 -1.641 -9.292 -4.147 1.00 0.00 C ATOM 241 CG LEU A 19 -2.148 -7.897 -3.779 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.020 -7.054 -3.205 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.762 -7.215 -4.992 1.00 0.00 C ATOM 0 H LEU A 19 -0.944 -11.671 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.263 -9.603 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.858 -9.185 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.458 -9.842 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.920 -8.001 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.399 -6.065 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.626 -7.535 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.225 -6.958 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.117 -6.224 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.011 -7.122 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.599 -7.810 -5.359 1.00 0.00 H new ATOM 255 N ARG A 20 -1.931 -9.866 -0.734 1.00 0.00 N ATOM 256 CA ARG A 20 -2.889 -10.006 0.356 1.00 0.00 C ATOM 257 C ARG A 20 -3.082 -8.679 1.085 1.00 0.00 C ATOM 258 O ARG A 20 -2.260 -7.770 0.970 1.00 0.00 O ATOM 259 CB ARG A 20 -2.420 -11.078 1.341 1.00 0.00 C ATOM 260 CG ARG A 20 -2.483 -12.490 0.781 1.00 0.00 C ATOM 261 CD ARG A 20 -1.423 -13.384 1.404 1.00 0.00 C ATOM 262 NE ARG A 20 -1.828 -14.787 1.416 1.00 0.00 N ATOM 263 CZ ARG A 20 -0.974 -15.798 1.526 1.00 0.00 C ATOM 264 NH1 ARG A 20 0.326 -15.563 1.634 1.00 0.00 N ATOM 265 NH2 ARG A 20 -1.420 -17.048 1.529 1.00 0.00 N ATOM 0 H ARG A 20 -1.075 -9.373 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.845 -10.308 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.395 -10.861 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.033 -11.026 2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.471 -12.912 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.346 -12.460 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.490 -13.281 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.225 -13.055 2.424 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.822 -15.002 1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.673 -14.604 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.980 -16.341 1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.420 -17.233 1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.763 -17.824 1.614 1.00 0.00 H new ATOM 279 N LYS A 21 -4.174 -8.575 1.834 1.00 0.00 N ATOM 280 CA LYS A 21 -4.476 -7.361 2.583 1.00 0.00 C ATOM 281 C LYS A 21 -4.948 -7.696 3.995 1.00 0.00 C ATOM 282 O LYS A 21 -5.712 -8.639 4.198 1.00 0.00 O ATOM 283 CB LYS A 21 -5.546 -6.542 1.857 1.00 0.00 C ATOM 284 CG LYS A 21 -5.929 -5.264 2.582 1.00 0.00 C ATOM 285 CD LYS A 21 -6.970 -4.473 1.806 1.00 0.00 C ATOM 286 CE LYS A 21 -8.367 -5.038 2.012 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.956 -4.599 3.308 1.00 0.00 N ATOM 0 H LYS A 21 -4.865 -9.318 1.939 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.562 -6.771 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.184 -6.290 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.436 -7.157 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.318 -5.508 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.041 -4.650 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.948 -3.431 2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.723 -4.488 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.012 -4.720 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.327 -6.127 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.908 -5.005 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.354 -4.924 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.018 -3.561 3.327 1.00 0.00 H new ATOM 301 N LYS A 22 -4.489 -6.915 4.967 1.00 0.00 N ATOM 302 CA LYS A 22 -4.865 -7.126 6.360 1.00 0.00 C ATOM 303 C LYS A 22 -5.236 -5.806 7.029 1.00 0.00 C ATOM 304 O LYS A 22 -4.369 -4.983 7.326 1.00 0.00 O ATOM 305 CB LYS A 22 -3.720 -7.794 7.124 1.00 0.00 C ATOM 306 CG LYS A 22 -3.965 -7.897 8.620 1.00 0.00 C ATOM 307 CD LYS A 22 -2.844 -8.648 9.318 1.00 0.00 C ATOM 308 CE LYS A 22 -1.629 -7.760 9.537 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.512 -8.499 10.187 1.00 0.00 N ATOM 0 H LYS A 22 -3.856 -6.130 4.816 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.736 -7.781 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.560 -8.794 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.803 -7.231 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.054 -6.897 9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.912 -8.405 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.199 -9.024 10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.559 -9.515 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.293 -7.362 8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.909 -6.907 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.386 -8.014 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.669 -8.533 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.472 -9.468 9.811 1.00 0.00 H new ATOM 323 N THR A 23 -6.530 -5.611 7.266 1.00 0.00 N ATOM 324 CA THR A 23 -7.015 -4.391 7.900 1.00 0.00 C ATOM 325 C THR A 23 -6.464 -4.251 9.314 1.00 0.00 C ATOM 326 O THR A 23 -6.926 -4.917 10.241 1.00 0.00 O ATOM 327 CB THR A 23 -8.554 -4.361 7.955 1.00 0.00 C ATOM 328 OG1 THR A 23 -9.094 -4.464 6.633 1.00 0.00 O ATOM 329 CG2 THR A 23 -9.046 -3.080 8.612 1.00 0.00 C ATOM 0 H THR A 23 -7.260 -6.282 7.028 1.00 0.00 H new ATOM 0 HA THR A 23 -6.664 -3.557 7.292 1.00 0.00 H new ATOM 0 HB THR A 23 -8.891 -5.209 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.073 -4.446 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.136 -3.081 8.640 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.657 -3.020 9.628 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.698 -2.220 8.039 1.00 0.00 H new ATOM 337 N LEU A 24 -5.473 -3.380 9.474 1.00 0.00 N ATOM 338 CA LEU A 24 -4.859 -3.151 10.777 1.00 0.00 C ATOM 339 C LEU A 24 -5.781 -2.336 11.679 1.00 0.00 C ATOM 340 O LEU A 24 -5.960 -2.656 12.854 1.00 0.00 O ATOM 341 CB LEU A 24 -3.520 -2.429 10.612 1.00 0.00 C ATOM 342 CG LEU A 24 -2.472 -3.146 9.761 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.228 -2.284 9.607 1.00 0.00 C ATOM 344 CD2 LEU A 24 -2.116 -4.493 10.375 1.00 0.00 C ATOM 0 H LEU A 24 -5.078 -2.821 8.718 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.688 -4.120 11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.710 -1.450 10.171 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.099 -2.256 11.602 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.894 -3.320 8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.493 -2.811 8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.494 -1.345 9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.804 -2.078 10.590 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.369 -4.989 9.756 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.714 -4.341 11.377 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.010 -5.114 10.433 1.00 0.00 H new ATOM 356 N VAL A 25 -6.367 -1.282 11.119 1.00 0.00 N ATOM 357 CA VAL A 25 -7.274 -0.423 11.871 1.00 0.00 C ATOM 358 C VAL A 25 -8.386 0.117 10.978 1.00 0.00 C ATOM 359 O VAL A 25 -8.170 0.981 10.129 1.00 0.00 O ATOM 360 CB VAL A 25 -6.524 0.761 12.511 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.492 1.660 13.265 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.423 0.258 13.432 1.00 0.00 C ATOM 0 H VAL A 25 -6.230 -1.003 10.148 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.710 -1.036 12.659 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.062 1.349 11.718 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.945 2.491 13.711 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.241 2.047 12.575 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.984 1.087 14.051 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.903 1.107 13.876 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.860 -0.353 14.222 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.715 -0.342 12.859 1.00 0.00 H new ATOM 372 N PRO A 26 -9.607 -0.404 11.174 1.00 0.00 N ATOM 373 CA PRO A 26 -10.778 0.012 10.397 1.00 0.00 C ATOM 374 C PRO A 26 -11.222 1.431 10.732 1.00 0.00 C ATOM 375 O PRO A 26 -11.076 1.887 11.865 1.00 0.00 O ATOM 376 CB PRO A 26 -11.853 -0.996 10.809 1.00 0.00 C ATOM 377 CG PRO A 26 -11.441 -1.457 12.165 1.00 0.00 C ATOM 378 CD PRO A 26 -9.937 -1.438 12.169 1.00 0.00 C ATOM 0 HA PRO A 26 -10.573 0.024 9.326 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.840 -0.535 10.831 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.905 -1.828 10.107 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.842 -0.802 12.938 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.819 -2.459 12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.541 -1.189 13.154 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.522 -2.408 11.894 1.00 0.00 H new ATOM 386 N GLY A 27 -11.767 2.127 9.738 1.00 0.00 N ATOM 387 CA GLY A 27 -12.225 3.488 9.949 1.00 0.00 C ATOM 388 C GLY A 27 -13.647 3.547 10.468 1.00 0.00 C ATOM 389 O GLY A 27 -14.278 2.523 10.733 1.00 0.00 O ATOM 0 H GLY A 27 -11.899 1.772 8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.562 3.985 10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.161 4.039 9.011 1.00 0.00 H new ATOM 393 N PRO A 28 -14.174 4.771 10.623 1.00 0.00 N ATOM 394 CA PRO A 28 -15.537 4.989 11.117 1.00 0.00 C ATOM 395 C PRO A 28 -16.596 4.554 10.109 1.00 0.00 C ATOM 396 O PRO A 28 -16.320 4.369 8.923 1.00 0.00 O ATOM 397 CB PRO A 28 -15.597 6.503 11.335 1.00 0.00 C ATOM 398 CG PRO A 28 -14.578 7.061 10.403 1.00 0.00 C ATOM 399 CD PRO A 28 -13.481 6.036 10.327 1.00 0.00 C ATOM 0 HA PRO A 28 -15.743 4.406 12.015 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.590 6.895 11.116 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.372 6.763 12.369 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.009 7.245 9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.196 8.015 10.768 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.016 6.018 9.342 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.690 6.239 11.049 1.00 0.00 H new ATOM 407 N PRO A 29 -17.837 4.386 10.589 1.00 0.00 N ATOM 408 CA PRO A 29 -18.962 3.971 9.745 1.00 0.00 C ATOM 409 C PRO A 29 -19.383 5.060 8.764 1.00 0.00 C ATOM 410 O PRO A 29 -20.246 4.843 7.914 1.00 0.00 O ATOM 411 CB PRO A 29 -20.080 3.699 10.754 1.00 0.00 C ATOM 412 CG PRO A 29 -19.740 4.543 11.934 1.00 0.00 C ATOM 413 CD PRO A 29 -18.238 4.588 11.991 1.00 0.00 C ATOM 0 HA PRO A 29 -18.711 3.111 9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.055 3.964 10.345 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.123 2.643 11.022 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.157 5.545 11.831 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.153 4.119 12.849 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.879 5.542 12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.837 3.809 12.640 1.00 0.00 H new ATOM 421 N GLY A 30 -18.768 6.232 8.888 1.00 0.00 N ATOM 422 CA GLY A 30 -19.092 7.337 8.005 1.00 0.00 C ATOM 423 C GLY A 30 -18.265 7.327 6.735 1.00 0.00 C ATOM 424 O GLY A 30 -18.719 7.784 5.686 1.00 0.00 O ATOM 0 H GLY A 30 -18.051 6.436 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.150 7.293 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.932 8.278 8.532 1.00 0.00 H new ATOM 428 N SER A 31 -17.045 6.807 6.829 1.00 0.00 N ATOM 429 CA SER A 31 -16.150 6.744 5.680 1.00 0.00 C ATOM 430 C SER A 31 -16.739 5.869 4.579 1.00 0.00 C ATOM 431 O SER A 31 -17.801 5.269 4.749 1.00 0.00 O ATOM 432 CB SER A 31 -14.783 6.202 6.101 1.00 0.00 C ATOM 433 OG SER A 31 -14.914 5.211 7.106 1.00 0.00 O ATOM 0 H SER A 31 -16.654 6.423 7.689 1.00 0.00 H new ATOM 0 HA SER A 31 -16.028 7.755 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.273 5.781 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.163 7.019 6.470 1.00 0.00 H new ATOM 0 HG SER A 31 -15.847 4.915 7.154 1.00 0.00 H new ATOM 439 N SER A 32 -16.043 5.802 3.448 1.00 0.00 N ATOM 440 CA SER A 32 -16.499 5.003 2.316 1.00 0.00 C ATOM 441 C SER A 32 -15.427 4.936 1.233 1.00 0.00 C ATOM 442 O SER A 32 -14.802 5.943 0.899 1.00 0.00 O ATOM 443 CB SER A 32 -17.789 5.589 1.739 1.00 0.00 C ATOM 444 OG SER A 32 -17.704 6.999 1.628 1.00 0.00 O ATOM 0 H SER A 32 -15.162 6.291 3.291 1.00 0.00 H new ATOM 0 HA SER A 32 -16.695 3.991 2.671 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.982 5.155 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.631 5.321 2.377 1.00 0.00 H new ATOM 0 HG SER A 32 -18.540 7.349 1.255 1.00 0.00 H new ATOM 450 N ARG A 33 -15.221 3.743 0.686 1.00 0.00 N ATOM 451 CA ARG A 33 -14.224 3.543 -0.359 1.00 0.00 C ATOM 452 C ARG A 33 -14.210 4.720 -1.329 1.00 0.00 C ATOM 453 O ARG A 33 -15.253 5.234 -1.736 1.00 0.00 O ATOM 454 CB ARG A 33 -14.505 2.245 -1.119 1.00 0.00 C ATOM 455 CG ARG A 33 -14.266 0.992 -0.293 1.00 0.00 C ATOM 456 CD ARG A 33 -13.982 -0.212 -1.178 1.00 0.00 C ATOM 457 NE ARG A 33 -15.203 -0.929 -1.537 1.00 0.00 N ATOM 458 CZ ARG A 33 -15.233 -1.949 -2.387 1.00 0.00 C ATOM 459 NH1 ARG A 33 -14.115 -2.371 -2.961 1.00 0.00 N ATOM 460 NH2 ARG A 33 -16.383 -2.550 -2.663 1.00 0.00 N ATOM 0 H ARG A 33 -15.731 2.900 0.949 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.245 3.474 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.539 2.252 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.874 2.210 -2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.426 1.155 0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.140 0.791 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.475 0.117 -2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.303 -0.890 -0.661 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.080 -0.630 -1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.229 -1.912 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.141 -3.155 -3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.245 -2.229 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.405 -3.333 -3.316 1.00 0.00 H new ATOM 474 N PRO A 34 -13.001 5.160 -1.710 1.00 0.00 N ATOM 475 CA PRO A 34 -12.822 6.281 -2.636 1.00 0.00 C ATOM 476 C PRO A 34 -13.252 5.933 -4.058 1.00 0.00 C ATOM 477 O PRO A 34 -13.950 4.945 -4.281 1.00 0.00 O ATOM 478 CB PRO A 34 -11.316 6.549 -2.583 1.00 0.00 C ATOM 479 CG PRO A 34 -10.715 5.247 -2.177 1.00 0.00 C ATOM 480 CD PRO A 34 -11.716 4.595 -1.265 1.00 0.00 C ATOM 0 HA PRO A 34 -13.431 7.141 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.937 6.875 -3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.079 7.335 -1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.515 4.622 -3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.764 5.399 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.700 3.509 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.516 4.826 -0.219 1.00 0.00 H new ATOM 488 N VAL A 35 -12.829 6.752 -5.016 1.00 0.00 N ATOM 489 CA VAL A 35 -13.168 6.529 -6.416 1.00 0.00 C ATOM 490 C VAL A 35 -11.913 6.401 -7.272 1.00 0.00 C ATOM 491 O VAL A 35 -10.859 6.938 -6.933 1.00 0.00 O ATOM 492 CB VAL A 35 -14.039 7.672 -6.971 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.476 9.023 -6.557 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.148 7.572 -8.485 1.00 0.00 C ATOM 0 H VAL A 35 -12.251 7.576 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.732 5.597 -6.460 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.040 7.579 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.105 9.818 -6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.456 9.091 -5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.463 9.130 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.767 8.387 -8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.154 7.639 -8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.602 6.618 -8.755 1.00 0.00 H new ATOM 504 N LYS A 36 -12.034 5.685 -8.385 1.00 0.00 N ATOM 505 CA LYS A 36 -10.910 5.486 -9.293 1.00 0.00 C ATOM 506 C LYS A 36 -10.816 6.627 -10.300 1.00 0.00 C ATOM 507 O LYS A 36 -11.698 6.802 -11.139 1.00 0.00 O ATOM 508 CB LYS A 36 -11.052 4.151 -10.029 1.00 0.00 C ATOM 509 CG LYS A 36 -9.960 3.903 -11.055 1.00 0.00 C ATOM 510 CD LYS A 36 -10.268 2.687 -11.913 1.00 0.00 C ATOM 511 CE LYS A 36 -9.812 1.401 -11.241 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.878 0.818 -10.379 1.00 0.00 N ATOM 0 H LYS A 36 -12.899 5.233 -8.680 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.995 5.471 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.044 3.341 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.021 4.122 -10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.851 4.781 -11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.007 3.759 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.340 2.638 -12.105 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.775 2.788 -12.880 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.523 0.676 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.926 1.600 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.482 0.588 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.650 1.506 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.248 -0.048 -10.822 1.00 0.00 H new ATOM 526 N GLY A 37 -9.738 7.400 -10.213 1.00 0.00 N ATOM 527 CA GLY A 37 -9.548 8.514 -11.124 1.00 0.00 C ATOM 528 C GLY A 37 -9.340 9.828 -10.398 1.00 0.00 C ATOM 529 O GLY A 37 -9.233 10.881 -11.026 1.00 0.00 O ATOM 0 H GLY A 37 -8.993 7.275 -9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.687 8.315 -11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.416 8.597 -11.777 1.00 0.00 H new ATOM 533 N GLN A 38 -9.284 9.767 -9.071 1.00 0.00 N ATOM 534 CA GLN A 38 -9.090 10.963 -8.260 1.00 0.00 C ATOM 535 C GLN A 38 -7.733 10.934 -7.564 1.00 0.00 C ATOM 536 O GLN A 38 -7.083 9.891 -7.491 1.00 0.00 O ATOM 537 CB GLN A 38 -10.206 11.087 -7.221 1.00 0.00 C ATOM 538 CG GLN A 38 -11.562 11.424 -7.822 1.00 0.00 C ATOM 539 CD GLN A 38 -12.437 12.221 -6.875 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.590 11.865 -6.629 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.894 13.308 -6.339 1.00 0.00 N ATOM 0 H GLN A 38 -9.370 8.903 -8.536 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.121 11.829 -8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.285 10.149 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.936 11.858 -6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.417 11.991 -8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.074 10.501 -8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.935 13.566 -6.571 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.436 13.885 -5.696 1.00 0.00 H new ATOM 550 N VAL A 39 -7.311 12.087 -7.054 1.00 0.00 N ATOM 551 CA VAL A 39 -6.031 12.194 -6.363 1.00 0.00 C ATOM 552 C VAL A 39 -6.114 11.607 -4.959 1.00 0.00 C ATOM 553 O VAL A 39 -6.747 12.179 -4.071 1.00 0.00 O ATOM 554 CB VAL A 39 -5.565 13.659 -6.269 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.365 13.779 -5.342 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.238 14.204 -7.651 1.00 0.00 C ATOM 0 H VAL A 39 -7.836 12.960 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.307 11.627 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.377 14.254 -5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.050 14.821 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.638 13.430 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.546 13.172 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.911 15.240 -7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.443 13.608 -8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.126 14.155 -8.281 1.00 0.00 H new ATOM 566 N VAL A 40 -5.469 10.461 -4.764 1.00 0.00 N ATOM 567 CA VAL A 40 -5.468 9.796 -3.466 1.00 0.00 C ATOM 568 C VAL A 40 -4.120 9.951 -2.770 1.00 0.00 C ATOM 569 O VAL A 40 -3.067 9.802 -3.391 1.00 0.00 O ATOM 570 CB VAL A 40 -5.793 8.297 -3.603 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.293 8.065 -3.513 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.239 7.749 -4.910 1.00 0.00 C ATOM 0 H VAL A 40 -4.941 9.974 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.241 10.274 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.317 7.764 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.503 7.000 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.659 8.419 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.794 8.610 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.478 6.689 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.685 8.286 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.157 7.880 -4.930 1.00 0.00 H new ATOM 582 N THR A 41 -4.160 10.251 -1.476 1.00 0.00 N ATOM 583 CA THR A 41 -2.942 10.427 -0.695 1.00 0.00 C ATOM 584 C THR A 41 -2.880 9.432 0.459 1.00 0.00 C ATOM 585 O THR A 41 -3.728 9.447 1.351 1.00 0.00 O ATOM 586 CB THR A 41 -2.838 11.857 -0.131 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.246 12.806 -1.123 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.416 12.161 0.315 1.00 0.00 C ATOM 0 H THR A 41 -5.023 10.377 -0.947 1.00 0.00 H new ATOM 0 HA THR A 41 -2.105 10.249 -1.370 1.00 0.00 H new ATOM 0 HB THR A 41 -3.497 11.931 0.734 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.179 13.712 -0.756 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.368 13.176 0.709 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.119 11.456 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.741 12.070 -0.536 1.00 0.00 H new ATOM 596 N VAL A 42 -1.870 8.569 0.436 1.00 0.00 N ATOM 597 CA VAL A 42 -1.696 7.567 1.481 1.00 0.00 C ATOM 598 C VAL A 42 -0.245 7.501 1.943 1.00 0.00 C ATOM 599 O VAL A 42 0.611 8.231 1.443 1.00 0.00 O ATOM 600 CB VAL A 42 -2.134 6.171 0.999 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.433 6.260 0.213 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.038 5.529 0.162 1.00 0.00 C ATOM 0 H VAL A 42 -1.159 8.543 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.327 7.869 2.317 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.309 5.543 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.726 5.264 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.215 6.676 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.290 6.904 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.364 4.543 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.830 6.154 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.134 5.429 0.762 1.00 0.00 H new ATOM 612 N HIS A 43 0.026 6.621 2.902 1.00 0.00 N ATOM 613 CA HIS A 43 1.375 6.458 3.432 1.00 0.00 C ATOM 614 C HIS A 43 1.893 5.046 3.175 1.00 0.00 C ATOM 615 O HIS A 43 1.516 4.100 3.869 1.00 0.00 O ATOM 616 CB HIS A 43 1.396 6.758 4.931 1.00 0.00 C ATOM 617 CG HIS A 43 2.777 6.832 5.507 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.910 6.169 5.179 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 3.112 7.667 6.552 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.899 6.611 6.023 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.392 7.515 6.841 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.671 6.010 3.328 1.00 0.00 H new ATOM 0 HA HIS A 43 2.028 7.164 2.919 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.885 7.704 5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.833 5.986 5.456 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.434 8.340 7.055 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.925 6.274 6.018 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.902 8.011 7.572 1.00 0.00 H new ATOM 630 N LEU A 44 2.757 4.911 2.176 1.00 0.00 N ATOM 631 CA LEU A 44 3.327 3.613 1.827 1.00 0.00 C ATOM 632 C LEU A 44 4.769 3.505 2.310 1.00 0.00 C ATOM 633 O LEU A 44 5.564 4.427 2.132 1.00 0.00 O ATOM 634 CB LEU A 44 3.265 3.397 0.314 1.00 0.00 C ATOM 635 CG LEU A 44 4.406 2.580 -0.294 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.703 3.373 -0.270 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.571 1.261 0.448 1.00 0.00 C ATOM 0 H LEU A 44 3.079 5.683 1.593 1.00 0.00 H new ATOM 0 HA LEU A 44 2.739 2.840 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.323 2.902 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.244 4.373 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 44 4.158 2.362 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.503 2.775 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.579 4.290 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.958 3.623 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.387 0.692 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.797 1.459 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.648 0.686 0.378 1.00 0.00 H new ATOM 649 N GLN A 45 5.100 2.371 2.919 1.00 0.00 N ATOM 650 CA GLN A 45 6.448 2.141 3.426 1.00 0.00 C ATOM 651 C GLN A 45 6.936 0.743 3.061 1.00 0.00 C ATOM 652 O GLN A 45 6.411 -0.257 3.550 1.00 0.00 O ATOM 653 CB GLN A 45 6.484 2.327 4.944 1.00 0.00 C ATOM 654 CG GLN A 45 6.420 3.781 5.381 1.00 0.00 C ATOM 655 CD GLN A 45 6.971 3.996 6.777 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.267 4.473 7.667 1.00 0.00 O ATOM 657 NE2 GLN A 45 8.235 3.644 6.975 1.00 0.00 N ATOM 0 H GLN A 45 4.454 1.597 3.073 1.00 0.00 H new ATOM 0 HA GLN A 45 7.112 2.870 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.648 1.786 5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.397 1.879 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.981 4.394 4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.385 4.121 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.781 3.252 6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.660 3.765 7.894 1.00 0.00 H new ATOM 666 N THR A 46 7.945 0.681 2.197 1.00 0.00 N ATOM 667 CA THR A 46 8.503 -0.595 1.765 1.00 0.00 C ATOM 668 C THR A 46 9.580 -1.079 2.729 1.00 0.00 C ATOM 669 O THR A 46 10.481 -0.325 3.097 1.00 0.00 O ATOM 670 CB THR A 46 9.105 -0.494 0.350 1.00 0.00 C ATOM 671 OG1 THR A 46 8.169 0.129 -0.537 1.00 0.00 O ATOM 672 CG2 THR A 46 9.475 -1.871 -0.180 1.00 0.00 C ATOM 0 H THR A 46 8.392 1.499 1.783 1.00 0.00 H new ATOM 0 HA THR A 46 7.682 -1.311 1.753 1.00 0.00 H new ATOM 0 HB THR A 46 10.010 0.111 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.560 0.191 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.898 -1.774 -1.180 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.209 -2.330 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.583 -2.496 -0.222 1.00 0.00 H new ATOM 680 N SER A 47 9.480 -2.341 3.135 1.00 0.00 N ATOM 681 CA SER A 47 10.444 -2.924 4.060 1.00 0.00 C ATOM 682 C SER A 47 10.631 -4.413 3.782 1.00 0.00 C ATOM 683 O SER A 47 9.661 -5.149 3.598 1.00 0.00 O ATOM 684 CB SER A 47 9.986 -2.717 5.505 1.00 0.00 C ATOM 685 OG SER A 47 8.592 -2.935 5.634 1.00 0.00 O ATOM 0 H SER A 47 8.741 -2.979 2.838 1.00 0.00 H new ATOM 0 HA SER A 47 11.400 -2.422 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.526 -3.398 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.230 -1.704 5.826 1.00 0.00 H new ATOM 0 HG SER A 47 8.324 -2.798 6.567 1.00 0.00 H new ATOM 691 N LEU A 48 11.885 -4.849 3.752 1.00 0.00 N ATOM 692 CA LEU A 48 12.202 -6.250 3.497 1.00 0.00 C ATOM 693 C LEU A 48 11.524 -7.157 4.519 1.00 0.00 C ATOM 694 O LEU A 48 11.368 -6.788 5.682 1.00 0.00 O ATOM 695 CB LEU A 48 13.716 -6.466 3.532 1.00 0.00 C ATOM 696 CG LEU A 48 14.449 -6.301 2.200 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.117 -7.451 1.262 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.094 -4.967 1.558 1.00 0.00 C ATOM 0 H LEU A 48 12.699 -4.253 3.901 1.00 0.00 H new ATOM 0 HA LEU A 48 11.827 -6.506 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.146 -5.767 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.911 -7.470 3.909 1.00 0.00 H new ATOM 0 HG LEU A 48 15.522 -6.315 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.648 -7.316 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.422 -8.393 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.043 -7.469 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.624 -4.866 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.020 -4.924 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.383 -4.154 2.224 1.00 0.00 H new ATOM 710 N GLU A 49 11.125 -8.345 4.076 1.00 0.00 N ATOM 711 CA GLU A 49 10.465 -9.305 4.953 1.00 0.00 C ATOM 712 C GLU A 49 11.218 -9.442 6.273 1.00 0.00 C ATOM 713 O GLU A 49 10.627 -9.753 7.307 1.00 0.00 O ATOM 714 CB GLU A 49 10.362 -10.669 4.268 1.00 0.00 C ATOM 715 CG GLU A 49 9.879 -11.778 5.188 1.00 0.00 C ATOM 716 CD GLU A 49 10.975 -12.303 6.094 1.00 0.00 C ATOM 717 OE1 GLU A 49 11.968 -12.848 5.568 1.00 0.00 O ATOM 718 OE2 GLU A 49 10.841 -12.170 7.328 1.00 0.00 O ATOM 0 H GLU A 49 11.247 -8.666 3.115 1.00 0.00 H new ATOM 0 HA GLU A 49 9.461 -8.936 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.682 -10.590 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.339 -10.940 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.056 -11.406 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.486 -12.598 4.587 1.00 0.00 H new ATOM 725 N ASN A 50 12.525 -9.208 6.229 1.00 0.00 N ATOM 726 CA ASN A 50 13.360 -9.307 7.421 1.00 0.00 C ATOM 727 C ASN A 50 13.193 -8.075 8.306 1.00 0.00 C ATOM 728 O ASN A 50 13.042 -8.186 9.522 1.00 0.00 O ATOM 729 CB ASN A 50 14.829 -9.470 7.028 1.00 0.00 C ATOM 730 CG ASN A 50 15.457 -8.165 6.579 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.745 -7.289 7.394 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.671 -8.030 5.275 1.00 0.00 N ATOM 0 H ASN A 50 13.029 -8.949 5.381 1.00 0.00 H new ATOM 0 HA ASN A 50 13.042 -10.184 7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.387 -9.865 7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.908 -10.203 6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.090 -7.173 4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.416 -8.783 4.636 1.00 0.00 H new ATOM 739 N GLY A 51 13.220 -6.899 7.685 1.00 0.00 N ATOM 740 CA GLY A 51 13.070 -5.663 8.430 1.00 0.00 C ATOM 741 C GLY A 51 14.036 -4.589 7.972 1.00 0.00 C ATOM 742 O GLY A 51 14.580 -3.843 8.787 1.00 0.00 O ATOM 0 H GLY A 51 13.343 -6.781 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.048 -5.299 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.227 -5.860 9.490 1.00 0.00 H new ATOM 746 N THR A 52 14.253 -4.509 6.663 1.00 0.00 N ATOM 747 CA THR A 52 15.163 -3.521 6.097 1.00 0.00 C ATOM 748 C THR A 52 14.416 -2.528 5.214 1.00 0.00 C ATOM 749 O THR A 52 14.211 -2.772 4.025 1.00 0.00 O ATOM 750 CB THR A 52 16.276 -4.190 5.270 1.00 0.00 C ATOM 751 OG1 THR A 52 16.939 -5.187 6.055 1.00 0.00 O ATOM 752 CG2 THR A 52 17.287 -3.160 4.790 1.00 0.00 C ATOM 0 H THR A 52 13.810 -5.117 5.974 1.00 0.00 H new ATOM 0 HA THR A 52 15.614 -2.990 6.936 1.00 0.00 H new ATOM 0 HB THR A 52 15.818 -4.660 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.275 -5.802 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 52 18.064 -3.656 4.208 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.785 -2.420 4.168 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.738 -2.665 5.650 1.00 0.00 H new ATOM 760 N ARG A 53 14.011 -1.407 5.803 1.00 0.00 N ATOM 761 CA ARG A 53 13.286 -0.377 5.069 1.00 0.00 C ATOM 762 C ARG A 53 14.021 -0.005 3.785 1.00 0.00 C ATOM 763 O ARG A 53 15.218 0.280 3.803 1.00 0.00 O ATOM 764 CB ARG A 53 13.100 0.866 5.942 1.00 0.00 C ATOM 765 CG ARG A 53 11.827 0.843 6.772 1.00 0.00 C ATOM 766 CD ARG A 53 11.304 2.247 7.028 1.00 0.00 C ATOM 767 NE ARG A 53 12.057 2.930 8.076 1.00 0.00 N ATOM 768 CZ ARG A 53 11.868 2.720 9.373 1.00 0.00 C ATOM 769 NH1 ARG A 53 10.955 1.849 9.781 1.00 0.00 N ATOM 770 NH2 ARG A 53 12.594 3.380 10.267 1.00 0.00 N ATOM 0 H ARG A 53 14.173 -1.189 6.786 1.00 0.00 H new ATOM 0 HA ARG A 53 12.307 -0.776 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.957 0.963 6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.092 1.750 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.065 0.258 6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.020 0.346 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.358 2.827 6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.253 2.196 7.312 1.00 0.00 H new ATOM 0 HE ARG A 53 12.768 3.606 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.396 1.338 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.812 1.690 10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.298 4.050 9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.447 3.217 11.263 1.00 0.00 H new ATOM 784 N VAL A 54 13.295 -0.012 2.671 1.00 0.00 N ATOM 785 CA VAL A 54 13.878 0.325 1.378 1.00 0.00 C ATOM 786 C VAL A 54 13.348 1.660 0.867 1.00 0.00 C ATOM 787 O VAL A 54 14.112 2.506 0.404 1.00 0.00 O ATOM 788 CB VAL A 54 13.586 -0.765 0.330 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.228 -0.411 -1.003 1.00 0.00 C ATOM 790 CG2 VAL A 54 14.073 -2.120 0.821 1.00 0.00 C ATOM 0 H VAL A 54 12.303 -0.247 2.638 1.00 0.00 H new ATOM 0 HA VAL A 54 14.955 0.398 1.526 1.00 0.00 H new ATOM 0 HB VAL A 54 12.508 -0.823 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.011 -1.193 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.827 0.538 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.307 -0.324 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.859 -2.878 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.148 -2.078 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.562 -2.376 1.749 1.00 0.00 H new ATOM 800 N GLN A 55 12.034 1.842 0.956 1.00 0.00 N ATOM 801 CA GLN A 55 11.401 3.075 0.502 1.00 0.00 C ATOM 802 C GLN A 55 10.437 3.611 1.555 1.00 0.00 C ATOM 803 O GLN A 55 9.606 2.873 2.082 1.00 0.00 O ATOM 804 CB GLN A 55 10.658 2.837 -0.814 1.00 0.00 C ATOM 805 CG GLN A 55 11.507 3.098 -2.047 1.00 0.00 C ATOM 806 CD GLN A 55 11.888 4.557 -2.196 1.00 0.00 C ATOM 807 OE1 GLN A 55 13.058 4.921 -2.073 1.00 0.00 O ATOM 808 NE2 GLN A 55 10.900 5.404 -2.462 1.00 0.00 N ATOM 0 H GLN A 55 11.388 1.152 1.338 1.00 0.00 H new ATOM 0 HA GLN A 55 12.183 3.817 0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.302 1.807 -0.840 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.778 3.479 -0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.413 2.494 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.961 2.777 -2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.944 5.060 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.097 6.399 -2.572 1.00 0.00 H new ATOM 817 N GLU A 56 10.556 4.900 1.857 1.00 0.00 N ATOM 818 CA GLU A 56 9.695 5.534 2.848 1.00 0.00 C ATOM 819 C GLU A 56 9.022 6.776 2.270 1.00 0.00 C ATOM 820 O GLU A 56 9.635 7.839 2.176 1.00 0.00 O ATOM 821 CB GLU A 56 10.502 5.911 4.092 1.00 0.00 C ATOM 822 CG GLU A 56 9.671 6.562 5.184 1.00 0.00 C ATOM 823 CD GLU A 56 10.522 7.161 6.287 1.00 0.00 C ATOM 824 OE1 GLU A 56 11.421 7.968 5.971 1.00 0.00 O ATOM 825 OE2 GLU A 56 10.288 6.822 7.466 1.00 0.00 O ATOM 0 H GLU A 56 11.240 5.525 1.430 1.00 0.00 H new ATOM 0 HA GLU A 56 8.921 4.819 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.975 5.015 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.303 6.591 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.049 7.343 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.997 5.821 5.613 1.00 0.00 H new ATOM 832 N GLU A 57 7.758 6.632 1.884 1.00 0.00 N ATOM 833 CA GLU A 57 7.003 7.741 1.314 1.00 0.00 C ATOM 834 C GLU A 57 5.864 8.157 2.240 1.00 0.00 C ATOM 835 O GLU A 57 4.821 7.507 2.314 1.00 0.00 O ATOM 836 CB GLU A 57 6.445 7.356 -0.058 1.00 0.00 C ATOM 837 CG GLU A 57 6.310 8.531 -1.012 1.00 0.00 C ATOM 838 CD GLU A 57 5.958 8.099 -2.423 1.00 0.00 C ATOM 839 OE1 GLU A 57 6.142 6.906 -2.742 1.00 0.00 O ATOM 840 OE2 GLU A 57 5.500 8.956 -3.207 1.00 0.00 O ATOM 0 H GLU A 57 7.236 5.759 1.956 1.00 0.00 H new ATOM 0 HA GLU A 57 7.681 8.587 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.096 6.606 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.468 6.892 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.541 9.209 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.246 9.089 -1.030 1.00 0.00 H new ATOM 847 N PRO A 58 6.066 9.268 2.965 1.00 0.00 N ATOM 848 CA PRO A 58 5.068 9.796 3.900 1.00 0.00 C ATOM 849 C PRO A 58 3.849 10.367 3.184 1.00 0.00 C ATOM 850 O PRO A 58 2.711 10.060 3.537 1.00 0.00 O ATOM 851 CB PRO A 58 5.824 10.904 4.637 1.00 0.00 C ATOM 852 CG PRO A 58 6.893 11.328 3.689 1.00 0.00 C ATOM 853 CD PRO A 58 7.285 10.093 2.927 1.00 0.00 C ATOM 0 HA PRO A 58 4.674 9.021 4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.164 11.735 4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.247 10.540 5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.531 12.104 3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.747 11.744 4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.579 10.328 1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.129 9.584 3.393 1.00 0.00 H new ATOM 861 N GLU A 59 4.096 11.200 2.177 1.00 0.00 N ATOM 862 CA GLU A 59 3.017 11.814 1.413 1.00 0.00 C ATOM 863 C GLU A 59 2.959 11.245 -0.001 1.00 0.00 C ATOM 864 O GLU A 59 3.348 11.905 -0.966 1.00 0.00 O ATOM 865 CB GLU A 59 3.202 13.332 1.356 1.00 0.00 C ATOM 866 CG GLU A 59 2.142 14.044 0.533 1.00 0.00 C ATOM 867 CD GLU A 59 2.179 15.550 0.710 1.00 0.00 C ATOM 868 OE1 GLU A 59 3.034 16.201 0.073 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.355 16.077 1.486 1.00 0.00 O ATOM 0 H GLU A 59 5.033 11.464 1.872 1.00 0.00 H new ATOM 0 HA GLU A 59 2.077 11.588 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.190 13.729 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.184 13.554 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.282 13.802 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.157 13.673 0.817 1.00 0.00 H new ATOM 876 N LEU A 60 2.472 10.014 -0.118 1.00 0.00 N ATOM 877 CA LEU A 60 2.363 9.354 -1.414 1.00 0.00 C ATOM 878 C LEU A 60 1.066 9.742 -2.116 1.00 0.00 C ATOM 879 O LEU A 60 -0.024 9.565 -1.571 1.00 0.00 O ATOM 880 CB LEU A 60 2.428 7.835 -1.241 1.00 0.00 C ATOM 881 CG LEU A 60 2.106 7.004 -2.484 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.620 7.072 -2.801 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.929 7.480 -3.672 1.00 0.00 C ATOM 0 H LEU A 60 2.146 9.453 0.669 1.00 0.00 H new ATOM 0 HA LEU A 60 3.200 9.680 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.429 7.571 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.736 7.550 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 60 2.366 5.965 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.410 6.475 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.050 6.682 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.334 8.108 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.687 6.877 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.701 8.526 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.990 7.378 -3.444 1.00 0.00 H new ATOM 895 N VAL A 61 1.190 10.271 -3.329 1.00 0.00 N ATOM 896 CA VAL A 61 0.028 10.681 -4.107 1.00 0.00 C ATOM 897 C VAL A 61 0.068 10.086 -5.510 1.00 0.00 C ATOM 898 O VAL A 61 1.137 9.947 -6.107 1.00 0.00 O ATOM 899 CB VAL A 61 -0.063 12.215 -4.214 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.224 12.788 -4.787 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.261 12.619 -5.061 1.00 0.00 C ATOM 0 H VAL A 61 2.084 10.426 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.852 10.308 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.200 12.625 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.141 13.873 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.059 12.528 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.396 12.374 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.310 13.706 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.157 12.200 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.175 12.241 -4.602 1.00 0.00 H new ATOM 911 N PHE A 62 -1.102 9.737 -6.033 1.00 0.00 N ATOM 912 CA PHE A 62 -1.201 9.157 -7.367 1.00 0.00 C ATOM 913 C PHE A 62 -2.637 9.216 -7.881 1.00 0.00 C ATOM 914 O PHE A 62 -3.562 9.549 -7.139 1.00 0.00 O ATOM 915 CB PHE A 62 -0.712 7.707 -7.354 1.00 0.00 C ATOM 916 CG PHE A 62 -1.614 6.778 -6.593 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.871 6.457 -7.080 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.204 6.224 -5.390 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.702 5.603 -6.381 1.00 0.00 C ATOM 920 CE2 PHE A 62 -2.032 5.369 -4.687 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.282 5.057 -5.184 1.00 0.00 C ATOM 0 H PHE A 62 -1.996 9.846 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.569 9.740 -8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.622 7.353 -8.381 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.286 7.672 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.205 6.879 -8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.227 6.463 -4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.680 5.362 -6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.702 4.945 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.930 4.387 -4.638 1.00 0.00 H new ATOM 931 N THR A 63 -2.816 8.892 -9.158 1.00 0.00 N ATOM 932 CA THR A 63 -4.137 8.909 -9.773 1.00 0.00 C ATOM 933 C THR A 63 -4.693 7.498 -9.923 1.00 0.00 C ATOM 934 O THR A 63 -4.443 6.824 -10.923 1.00 0.00 O ATOM 935 CB THR A 63 -4.104 9.585 -11.157 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.642 10.935 -11.032 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.483 9.573 -11.799 1.00 0.00 C ATOM 0 H THR A 63 -2.062 8.615 -9.786 1.00 0.00 H new ATOM 0 HA THR A 63 -4.785 9.483 -9.111 1.00 0.00 H new ATOM 0 HB THR A 63 -3.420 9.025 -11.794 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.622 11.357 -11.916 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.434 10.056 -12.775 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.819 8.543 -11.920 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.185 10.111 -11.163 1.00 0.00 H new ATOM 945 N LEU A 64 -5.449 7.055 -8.924 1.00 0.00 N ATOM 946 CA LEU A 64 -6.041 5.723 -8.945 1.00 0.00 C ATOM 947 C LEU A 64 -6.584 5.390 -10.331 1.00 0.00 C ATOM 948 O LEU A 64 -7.232 6.217 -10.970 1.00 0.00 O ATOM 949 CB LEU A 64 -7.162 5.625 -7.909 1.00 0.00 C ATOM 950 CG LEU A 64 -7.729 4.226 -7.663 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.664 3.315 -7.073 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.942 4.296 -6.746 1.00 0.00 C ATOM 0 H LEU A 64 -5.666 7.600 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.262 5.002 -8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.789 6.016 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.978 6.276 -8.223 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.045 3.809 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.085 2.324 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.825 3.240 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.317 3.727 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.332 3.292 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.651 4.733 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.712 4.914 -7.208 1.00 0.00 H new ATOM 964 N GLY A 65 -6.316 4.171 -10.789 1.00 0.00 N ATOM 965 CA GLY A 65 -6.787 3.749 -12.095 1.00 0.00 C ATOM 966 C GLY A 65 -5.658 3.589 -13.095 1.00 0.00 C ATOM 967 O GLY A 65 -5.702 2.711 -13.956 1.00 0.00 O ATOM 0 H GLY A 65 -5.781 3.468 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.319 2.803 -11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.502 4.479 -12.473 1.00 0.00 H new ATOM 971 N ASP A 66 -4.645 4.441 -12.981 1.00 0.00 N ATOM 972 CA ASP A 66 -3.499 4.391 -13.882 1.00 0.00 C ATOM 973 C ASP A 66 -2.465 3.382 -13.391 1.00 0.00 C ATOM 974 O ASP A 66 -1.633 2.906 -14.164 1.00 0.00 O ATOM 975 CB ASP A 66 -2.861 5.775 -14.007 1.00 0.00 C ATOM 976 CG ASP A 66 -1.918 5.873 -15.191 1.00 0.00 C ATOM 977 OD1 ASP A 66 -2.398 6.151 -16.310 1.00 0.00 O ATOM 978 OD2 ASP A 66 -0.701 5.672 -14.998 1.00 0.00 O ATOM 0 H ASP A 66 -4.594 5.174 -12.274 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.853 4.073 -14.863 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.645 6.526 -14.107 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.315 6.004 -13.092 1.00 0.00 H new ATOM 983 N CYS A 67 -2.523 3.063 -12.103 1.00 0.00 N ATOM 984 CA CYS A 67 -1.591 2.112 -11.508 1.00 0.00 C ATOM 985 C CYS A 67 -0.160 2.636 -11.582 1.00 0.00 C ATOM 986 O CYS A 67 0.763 1.902 -11.938 1.00 0.00 O ATOM 987 CB CYS A 67 -1.689 0.760 -12.215 1.00 0.00 C ATOM 988 SG CYS A 67 -3.351 0.048 -12.219 1.00 0.00 S ATOM 0 H CYS A 67 -3.206 3.449 -11.451 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.859 1.985 -10.459 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.352 0.876 -13.245 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.007 0.060 -11.733 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.333 -1.093 -12.842 1.00 0.00 H new ATOM 994 N ASP A 68 0.017 3.909 -11.246 1.00 0.00 N ATOM 995 CA ASP A 68 1.335 4.532 -11.275 1.00 0.00 C ATOM 996 C ASP A 68 2.179 4.073 -10.090 1.00 0.00 C ATOM 997 O ASP A 68 3.407 4.151 -10.121 1.00 0.00 O ATOM 998 CB ASP A 68 1.203 6.055 -11.264 1.00 0.00 C ATOM 999 CG ASP A 68 2.502 6.751 -11.622 1.00 0.00 C ATOM 1000 OD1 ASP A 68 3.368 6.886 -10.732 1.00 0.00 O ATOM 1001 OD2 ASP A 68 2.652 7.161 -12.792 1.00 0.00 O ATOM 0 H ASP A 68 -0.736 4.530 -10.950 1.00 0.00 H new ATOM 0 HA ASP A 68 1.835 4.226 -12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.427 6.355 -11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.879 6.382 -10.276 1.00 0.00 H new ATOM 1006 N VAL A 69 1.511 3.595 -9.044 1.00 0.00 N ATOM 1007 CA VAL A 69 2.199 3.124 -7.848 1.00 0.00 C ATOM 1008 C VAL A 69 2.295 1.602 -7.833 1.00 0.00 C ATOM 1009 O VAL A 69 1.863 0.934 -8.773 1.00 0.00 O ATOM 1010 CB VAL A 69 1.484 3.595 -6.568 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.656 5.094 -6.381 1.00 0.00 C ATOM 1012 CG2 VAL A 69 0.011 3.220 -6.612 1.00 0.00 C ATOM 0 H VAL A 69 0.494 3.524 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 69 3.203 3.548 -7.872 1.00 0.00 H new ATOM 0 HB VAL A 69 1.937 3.093 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.144 5.408 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.717 5.331 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.231 5.619 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.479 3.561 -5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.459 3.693 -7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.087 2.137 -6.694 1.00 0.00 H new ATOM 1022 N ILE A 70 2.864 1.061 -6.761 1.00 0.00 N ATOM 1023 CA ILE A 70 3.015 -0.382 -6.623 1.00 0.00 C ATOM 1024 C ILE A 70 1.703 -1.102 -6.915 1.00 0.00 C ATOM 1025 O ILE A 70 0.625 -0.596 -6.607 1.00 0.00 O ATOM 1026 CB ILE A 70 3.496 -0.765 -5.211 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.583 0.202 -4.739 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.010 -2.197 -5.197 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.643 0.477 -5.783 1.00 0.00 C ATOM 0 H ILE A 70 3.228 1.600 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 70 3.766 -0.692 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 70 2.652 -0.696 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.118 1.144 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.060 -0.207 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.346 -2.453 -4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.209 -2.874 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.843 -2.291 -5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.381 1.170 -5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.135 -0.456 -6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.179 0.915 -6.666 1.00 0.00 H new ATOM 1041 N GLN A 71 1.804 -2.288 -7.507 1.00 0.00 N ATOM 1042 CA GLN A 71 0.625 -3.079 -7.839 1.00 0.00 C ATOM 1043 C GLN A 71 -0.050 -3.605 -6.577 1.00 0.00 C ATOM 1044 O GLN A 71 -1.200 -4.040 -6.612 1.00 0.00 O ATOM 1045 CB GLN A 71 1.008 -4.245 -8.751 1.00 0.00 C ATOM 1046 CG GLN A 71 0.943 -3.906 -10.232 1.00 0.00 C ATOM 1047 CD GLN A 71 1.203 -5.109 -11.118 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.340 -5.563 -11.250 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.147 -5.632 -11.730 1.00 0.00 N ATOM 0 H GLN A 71 2.690 -2.722 -7.766 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.079 -2.433 -8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.019 -4.571 -8.505 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.344 -5.086 -8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.039 -3.494 -10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.675 -3.130 -10.456 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.777 -5.223 -11.592 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.260 -6.443 -12.339 1.00 0.00 H new ATOM 1058 N ALA A 72 0.674 -3.563 -5.463 1.00 0.00 N ATOM 1059 CA ALA A 72 0.145 -4.034 -4.189 1.00 0.00 C ATOM 1060 C ALA A 72 -0.521 -2.899 -3.418 1.00 0.00 C ATOM 1061 O ALA A 72 -1.211 -3.131 -2.425 1.00 0.00 O ATOM 1062 CB ALA A 72 1.253 -4.661 -3.357 1.00 0.00 C ATOM 0 H ALA A 72 1.629 -3.207 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.612 -4.791 -4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.844 -5.008 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.681 -5.505 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.029 -3.920 -3.167 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.309 -1.672 -3.881 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.889 -0.500 -3.233 1.00 0.00 C ATOM 1070 C LEU A 73 -2.127 -0.020 -3.983 1.00 0.00 C ATOM 1071 O LEU A 73 -3.156 0.279 -3.376 1.00 0.00 O ATOM 1072 CB LEU A 73 0.143 0.627 -3.157 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.419 2.045 -3.048 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.240 2.198 -1.777 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.707 3.069 -3.084 1.00 0.00 C ATOM 0 H LEU A 73 0.259 -1.463 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.185 -0.783 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.787 0.446 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.774 0.575 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.073 2.223 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.632 3.213 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.068 1.490 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.609 2.001 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.289 4.073 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.386 2.892 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.253 2.976 -4.023 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.022 0.048 -5.306 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.135 0.488 -6.139 1.00 0.00 C ATOM 1089 C ASP A 74 -4.258 -0.545 -6.136 1.00 0.00 C ATOM 1090 O ASP A 74 -5.438 -0.196 -6.203 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.660 0.737 -7.572 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.465 1.816 -8.269 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.098 3.003 -8.147 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -4.462 1.473 -8.938 1.00 0.00 O ATOM 0 H ASP A 74 -1.178 -0.196 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.521 1.419 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.608 1.024 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.730 -0.190 -8.141 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.885 -1.817 -6.057 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.860 -2.902 -6.046 1.00 0.00 C ATOM 1101 C LEU A 75 -5.476 -3.065 -4.660 1.00 0.00 C ATOM 1102 O LEU A 75 -6.349 -3.909 -4.453 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.201 -4.212 -6.481 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.836 -4.321 -7.962 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.333 -2.985 -8.487 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.793 -5.407 -8.176 1.00 0.00 C ATOM 0 H LEU A 75 -2.914 -2.123 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.654 -2.651 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.294 -4.352 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.873 -5.033 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.733 -4.593 -8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.078 -3.081 -9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.112 -2.231 -8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.448 -2.683 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.546 -5.470 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.895 -5.166 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.190 -6.364 -7.838 1.00 0.00 H new ATOM 1118 N SER A 76 -5.018 -2.251 -3.715 1.00 0.00 N ATOM 1119 CA SER A 76 -5.524 -2.306 -2.348 1.00 0.00 C ATOM 1120 C SER A 76 -6.212 -0.998 -1.970 1.00 0.00 C ATOM 1121 O SER A 76 -7.155 -0.985 -1.179 1.00 0.00 O ATOM 1122 CB SER A 76 -4.382 -2.595 -1.371 1.00 0.00 C ATOM 1123 OG SER A 76 -3.522 -1.477 -1.246 1.00 0.00 O ATOM 0 H SER A 76 -4.298 -1.546 -3.870 1.00 0.00 H new ATOM 0 HA SER A 76 -6.256 -3.111 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.792 -2.853 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.813 -3.458 -1.717 1.00 0.00 H new ATOM 0 HG SER A 76 -3.502 -0.984 -2.093 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.733 0.102 -2.542 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.302 1.416 -2.267 1.00 0.00 C ATOM 1131 C VAL A 77 -7.823 1.389 -2.368 1.00 0.00 C ATOM 1132 O VAL A 77 -8.538 1.767 -1.441 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.752 2.480 -3.236 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.776 3.584 -3.454 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.443 3.051 -2.714 1.00 0.00 C ATOM 0 H VAL A 77 -4.952 0.109 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.014 1.679 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.556 2.004 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.370 4.326 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.686 3.158 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.007 4.060 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.069 3.801 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.610 3.512 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.710 2.250 -2.616 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.330 0.930 -3.522 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.772 0.841 -3.772 1.00 0.00 C ATOM 1147 C PRO A 78 -10.440 -0.243 -2.933 1.00 0.00 C ATOM 1148 O PRO A 78 -11.635 -0.505 -3.077 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.853 0.492 -5.260 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.560 -0.185 -5.561 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.536 0.463 -4.670 1.00 0.00 C ATOM 0 HA PRO A 78 -10.289 1.763 -3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.700 -0.162 -5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.983 1.386 -5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.625 -1.255 -5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.293 -0.068 -6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.765 -0.244 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.031 1.288 -5.172 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.663 -0.870 -2.058 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.180 -1.926 -1.194 1.00 0.00 C ATOM 1161 C LEU A 79 -10.109 -1.514 0.272 1.00 0.00 C ATOM 1162 O LEU A 79 -10.165 -2.357 1.167 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.393 -3.220 -1.411 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.127 -3.607 -2.866 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.465 -4.975 -2.942 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.421 -3.595 -3.667 1.00 0.00 C ATOM 0 H LEU A 79 -8.672 -0.666 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.225 -2.095 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.435 -3.129 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.934 -4.036 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.448 -2.872 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.283 -5.234 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.518 -4.951 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.119 -5.721 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.212 -3.873 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.123 -4.308 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.856 -2.596 -3.641 1.00 0.00 H new ATOM 1178 N MET A 80 -9.987 -0.213 0.511 1.00 0.00 N ATOM 1179 CA MET A 80 -9.912 0.311 1.870 1.00 0.00 C ATOM 1180 C MET A 80 -10.646 1.644 1.980 1.00 0.00 C ATOM 1181 O MET A 80 -10.530 2.501 1.104 1.00 0.00 O ATOM 1182 CB MET A 80 -8.452 0.483 2.294 1.00 0.00 C ATOM 1183 CG MET A 80 -7.795 1.728 1.720 1.00 0.00 C ATOM 1184 SD MET A 80 -5.999 1.591 1.639 1.00 0.00 S ATOM 1185 CE MET A 80 -5.595 1.404 3.374 1.00 0.00 C ATOM 0 H MET A 80 -9.938 0.498 -0.219 1.00 0.00 H new ATOM 0 HA MET A 80 -10.394 -0.405 2.536 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.401 0.524 3.382 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.886 -0.394 1.981 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.187 1.913 0.720 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.063 2.590 2.331 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.852 0.615 3.492 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.192 2.342 3.757 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.495 1.141 3.931 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.400 1.811 3.061 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.152 3.040 3.286 1.00 0.00 C ATOM 1197 C ASP A 81 -11.224 4.177 3.700 1.00 0.00 C ATOM 1198 O ASP A 81 -10.113 3.943 4.176 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.221 2.821 4.358 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.096 1.617 4.066 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -13.541 0.518 3.856 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -15.334 1.775 4.046 1.00 0.00 O ATOM 0 H ASP A 81 -11.507 1.111 3.795 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.639 3.315 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.739 2.690 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.846 3.711 4.431 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.686 5.410 3.516 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.898 6.583 3.870 1.00 0.00 C ATOM 1209 C VAL A 82 -10.704 6.679 5.379 1.00 0.00 C ATOM 1210 O VAL A 82 -11.662 6.862 6.129 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.561 7.879 3.366 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -13.070 7.813 3.550 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.981 9.088 4.083 1.00 0.00 C ATOM 0 H VAL A 82 -12.603 5.622 3.123 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.927 6.469 3.387 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.353 7.983 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.521 8.737 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.469 6.970 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.302 7.685 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.461 9.995 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.157 8.994 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.909 9.143 3.895 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.455 6.555 5.819 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.157 6.631 7.237 1.00 0.00 C ATOM 1225 C GLY A 83 -8.896 5.268 7.849 1.00 0.00 C ATOM 1226 O GLY A 83 -8.772 5.141 9.066 1.00 0.00 O ATOM 0 H GLY A 83 -8.645 6.403 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.285 7.267 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.991 7.105 7.755 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.815 4.247 7.002 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.571 2.887 7.467 1.00 0.00 C ATOM 1232 C GLU A 84 -7.150 2.444 7.131 1.00 0.00 C ATOM 1233 O GLU A 84 -6.700 2.571 5.991 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.579 1.921 6.843 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.143 0.466 6.896 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.052 -0.445 6.095 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.208 -0.653 6.519 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.607 -0.951 5.044 1.00 0.00 O ATOM 0 H GLU A 84 -8.915 4.336 5.991 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.691 2.875 8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.534 2.024 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.745 2.204 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.125 0.382 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.125 0.134 7.934 1.00 0.00 H new ATOM 1245 N THR A 85 -6.445 1.923 8.131 1.00 0.00 N ATOM 1246 CA THR A 85 -5.076 1.463 7.942 1.00 0.00 C ATOM 1247 C THR A 85 -5.034 -0.033 7.650 1.00 0.00 C ATOM 1248 O THR A 85 -5.384 -0.851 8.500 1.00 0.00 O ATOM 1249 CB THR A 85 -4.209 1.757 9.182 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.205 3.162 9.454 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.782 1.272 8.971 1.00 0.00 C ATOM 0 H THR A 85 -6.801 1.809 9.080 1.00 0.00 H new ATOM 0 HA THR A 85 -4.674 2.008 7.088 1.00 0.00 H new ATOM 0 HB THR A 85 -4.635 1.224 10.032 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.654 3.341 10.244 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.189 1.490 9.859 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.786 0.197 8.792 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.348 1.781 8.111 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.602 -0.383 6.443 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.511 -1.781 6.040 1.00 0.00 C ATOM 1261 C ALA A 86 -3.132 -2.101 5.475 1.00 0.00 C ATOM 1262 O ALA A 86 -2.534 -1.287 4.772 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.591 -2.107 5.019 1.00 0.00 C ATOM 0 H ALA A 86 -4.310 0.282 5.727 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.664 -2.399 6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.511 -3.154 4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.572 -1.926 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.464 -1.475 4.140 1.00 0.00 H new ATOM 1269 N MET A 87 -2.631 -3.292 5.788 1.00 0.00 N ATOM 1270 CA MET A 87 -1.321 -3.719 5.310 1.00 0.00 C ATOM 1271 C MET A 87 -1.457 -4.638 4.100 1.00 0.00 C ATOM 1272 O MET A 87 -2.479 -5.301 3.923 1.00 0.00 O ATOM 1273 CB MET A 87 -0.556 -4.434 6.425 1.00 0.00 C ATOM 1274 CG MET A 87 0.728 -5.097 5.953 1.00 0.00 C ATOM 1275 SD MET A 87 1.803 -5.579 7.317 1.00 0.00 S ATOM 1276 CE MET A 87 2.446 -3.986 7.822 1.00 0.00 C ATOM 0 H MET A 87 -3.112 -3.978 6.370 1.00 0.00 H new ATOM 0 HA MET A 87 -0.764 -2.831 5.009 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.317 -3.715 7.209 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.203 -5.190 6.871 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.481 -5.979 5.361 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.265 -4.413 5.296 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.324 -4.131 8.451 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.723 -3.409 6.940 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.683 -3.447 8.383 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.420 -4.674 3.269 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.423 -5.512 2.077 1.00 0.00 C ATOM 1288 C VAL A 88 0.909 -6.234 1.908 1.00 0.00 C ATOM 1289 O VAL A 88 1.975 -5.625 2.008 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.711 -4.685 0.810 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.043 -3.962 0.934 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.418 -3.698 0.551 1.00 0.00 C ATOM 0 H VAL A 88 0.434 -4.131 3.400 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.216 -6.247 2.210 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.772 -5.365 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.228 -3.383 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.842 -4.691 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.015 -3.292 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.199 -3.122 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.513 -3.022 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.353 -4.242 0.414 1.00 0.00 H new ATOM 1302 N THR A 89 0.842 -7.536 1.651 1.00 0.00 N ATOM 1303 CA THR A 89 2.043 -8.342 1.468 1.00 0.00 C ATOM 1304 C THR A 89 2.013 -9.079 0.134 1.00 0.00 C ATOM 1305 O THR A 89 1.351 -10.108 -0.002 1.00 0.00 O ATOM 1306 CB THR A 89 2.209 -9.368 2.605 1.00 0.00 C ATOM 1307 OG1 THR A 89 0.949 -9.981 2.900 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.760 -8.703 3.858 1.00 0.00 C ATOM 0 H THR A 89 -0.032 -8.055 1.565 1.00 0.00 H new ATOM 0 HA THR A 89 2.890 -7.655 1.481 1.00 0.00 H new ATOM 0 HB THR A 89 2.915 -10.130 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.432 -9.397 3.493 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.869 -9.447 4.647 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.732 -8.262 3.638 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.074 -7.922 4.187 1.00 0.00 H new ATOM 1316 N ALA A 90 2.734 -8.547 -0.847 1.00 0.00 N ATOM 1317 CA ALA A 90 2.793 -9.157 -2.169 1.00 0.00 C ATOM 1318 C ALA A 90 4.223 -9.538 -2.536 1.00 0.00 C ATOM 1319 O ALA A 90 5.177 -9.087 -1.902 1.00 0.00 O ATOM 1320 CB ALA A 90 2.212 -8.212 -3.212 1.00 0.00 C ATOM 0 H ALA A 90 3.286 -7.694 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 90 2.197 -10.069 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.262 -8.680 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.173 -7.994 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.785 -7.285 -3.222 1.00 0.00 H new ATOM 1326 N ASP A 91 4.364 -10.370 -3.561 1.00 0.00 N ATOM 1327 CA ASP A 91 5.679 -10.812 -4.013 1.00 0.00 C ATOM 1328 C ASP A 91 6.394 -9.699 -4.772 1.00 0.00 C ATOM 1329 O ASP A 91 5.769 -8.932 -5.504 1.00 0.00 O ATOM 1330 CB ASP A 91 5.547 -12.050 -4.901 1.00 0.00 C ATOM 1331 CG ASP A 91 6.864 -12.448 -5.538 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.648 -13.165 -4.882 1.00 0.00 O ATOM 1333 OD2 ASP A 91 7.112 -12.041 -6.693 1.00 0.00 O ATOM 0 H ASP A 91 3.584 -10.753 -4.095 1.00 0.00 H new ATOM 0 HA ASP A 91 6.272 -11.067 -3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.168 -12.881 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.812 -11.856 -5.683 1.00 0.00 H new ATOM 1338 N SER A 92 7.709 -9.617 -4.592 1.00 0.00 N ATOM 1339 CA SER A 92 8.509 -8.595 -5.257 1.00 0.00 C ATOM 1340 C SER A 92 7.989 -8.330 -6.666 1.00 0.00 C ATOM 1341 O SER A 92 8.002 -7.194 -7.142 1.00 0.00 O ATOM 1342 CB SER A 92 9.976 -9.024 -5.315 1.00 0.00 C ATOM 1343 OG SER A 92 10.808 -7.946 -5.707 1.00 0.00 O ATOM 0 H SER A 92 8.242 -10.246 -3.992 1.00 0.00 H new ATOM 0 HA SER A 92 8.430 -7.674 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.289 -9.392 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.089 -9.849 -6.018 1.00 0.00 H new ATOM 0 HG SER A 92 11.732 -8.132 -5.439 1.00 0.00 H new ATOM 1349 N LYS A 93 7.531 -9.386 -7.330 1.00 0.00 N ATOM 1350 CA LYS A 93 7.005 -9.269 -8.685 1.00 0.00 C ATOM 1351 C LYS A 93 5.997 -8.129 -8.781 1.00 0.00 C ATOM 1352 O LYS A 93 6.079 -7.288 -9.677 1.00 0.00 O ATOM 1353 CB LYS A 93 6.347 -10.583 -9.113 1.00 0.00 C ATOM 1354 CG LYS A 93 4.962 -10.789 -8.525 1.00 0.00 C ATOM 1355 CD LYS A 93 4.370 -12.124 -8.947 1.00 0.00 C ATOM 1356 CE LYS A 93 5.109 -13.289 -8.306 1.00 0.00 C ATOM 1357 NZ LYS A 93 4.382 -14.575 -8.492 1.00 0.00 N ATOM 0 H LYS A 93 7.513 -10.333 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 93 7.838 -9.051 -9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.278 -10.608 -10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.986 -11.414 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.017 -10.742 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.305 -9.981 -8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.317 -12.161 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.415 -12.216 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.106 -13.369 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.239 -13.095 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.822 -15.311 -7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.388 -14.456 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.428 -14.858 -9.492 1.00 0.00 H new ATOM 1371 N TYR A 94 5.047 -8.104 -7.852 1.00 0.00 N ATOM 1372 CA TYR A 94 4.023 -7.067 -7.833 1.00 0.00 C ATOM 1373 C TYR A 94 4.588 -5.753 -7.302 1.00 0.00 C ATOM 1374 O TYR A 94 4.053 -4.678 -7.577 1.00 0.00 O ATOM 1375 CB TYR A 94 2.836 -7.508 -6.975 1.00 0.00 C ATOM 1376 CG TYR A 94 2.076 -8.682 -7.550 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.194 -8.511 -8.610 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.240 -9.961 -7.034 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.496 -9.580 -9.138 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.548 -11.037 -7.557 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.677 -10.841 -8.609 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.015 -11.909 -9.132 1.00 0.00 O ATOM 0 H TYR A 94 4.965 -8.791 -7.102 1.00 0.00 H new ATOM 0 HA TYR A 94 3.684 -6.909 -8.857 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.195 -7.771 -5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.153 -6.667 -6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.052 -7.526 -9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.920 -10.117 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.188 -9.429 -9.960 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.688 -12.025 -7.145 1.00 0.00 H new ATOM 0 HH TYR A 94 0.228 -12.725 -8.647 1.00 0.00 H new ATOM 1392 N CYS A 95 5.673 -5.848 -6.541 1.00 0.00 N ATOM 1393 CA CYS A 95 6.312 -4.667 -5.970 1.00 0.00 C ATOM 1394 C CYS A 95 7.166 -3.954 -7.013 1.00 0.00 C ATOM 1395 O CYS A 95 6.807 -2.880 -7.497 1.00 0.00 O ATOM 1396 CB CYS A 95 7.173 -5.059 -4.769 1.00 0.00 C ATOM 1397 SG CYS A 95 6.273 -5.939 -3.471 1.00 0.00 S ATOM 0 H CYS A 95 6.128 -6.730 -6.305 1.00 0.00 H new ATOM 0 HA CYS A 95 5.530 -3.984 -5.639 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.996 -5.685 -5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.615 -4.158 -4.343 1.00 0.00 H new ATOM 0 HG CYS A 95 7.115 -6.590 -2.724 1.00 0.00 H new ATOM 1403 N TYR A 96 8.300 -4.557 -7.355 1.00 0.00 N ATOM 1404 CA TYR A 96 9.208 -3.978 -8.337 1.00 0.00 C ATOM 1405 C TYR A 96 9.362 -4.897 -9.545 1.00 0.00 C ATOM 1406 O TYR A 96 9.417 -4.438 -10.686 1.00 0.00 O ATOM 1407 CB TYR A 96 10.576 -3.714 -7.705 1.00 0.00 C ATOM 1408 CG TYR A 96 10.582 -2.552 -6.738 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.884 -2.617 -5.539 1.00 0.00 C ATOM 1410 CD2 TYR A 96 11.287 -1.390 -7.023 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.886 -1.558 -4.652 1.00 0.00 C ATOM 1412 CE2 TYR A 96 11.297 -0.326 -6.142 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.594 -0.414 -4.958 1.00 0.00 C ATOM 1414 OH TYR A 96 10.601 0.643 -4.078 1.00 0.00 O ATOM 0 H TYR A 96 8.612 -5.447 -6.966 1.00 0.00 H new ATOM 0 HA TYR A 96 8.783 -3.033 -8.674 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.905 -4.612 -7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 96 11.301 -3.522 -8.496 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.330 -3.511 -5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.837 -1.317 -7.950 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.337 -1.625 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.852 0.570 -6.379 1.00 0.00 H new ATOM 0 HH TYR A 96 11.524 0.931 -3.920 1.00 0.00 H new ATOM 1424 N GLY A 97 9.429 -6.199 -9.285 1.00 0.00 N ATOM 1425 CA GLY A 97 9.576 -7.164 -10.360 1.00 0.00 C ATOM 1426 C GLY A 97 10.608 -8.229 -10.047 1.00 0.00 C ATOM 1427 O GLY A 97 11.452 -8.065 -9.166 1.00 0.00 O ATOM 0 H GLY A 97 9.384 -6.603 -8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.614 -7.640 -10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.861 -6.644 -11.274 1.00 0.00 H new ATOM 1431 N PRO A 98 10.546 -9.351 -10.778 1.00 0.00 N ATOM 1432 CA PRO A 98 11.474 -10.470 -10.591 1.00 0.00 C ATOM 1433 C PRO A 98 12.889 -10.133 -11.050 1.00 0.00 C ATOM 1434 O PRO A 98 13.801 -10.950 -10.928 1.00 0.00 O ATOM 1435 CB PRO A 98 10.878 -11.576 -11.465 1.00 0.00 C ATOM 1436 CG PRO A 98 10.097 -10.854 -12.509 1.00 0.00 C ATOM 1437 CD PRO A 98 9.565 -9.615 -11.844 1.00 0.00 C ATOM 0 HA PRO A 98 11.574 -10.745 -9.541 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.659 -12.193 -11.910 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.240 -12.241 -10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.727 -10.600 -13.362 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.284 -11.474 -12.887 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.497 -8.781 -12.543 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.565 -9.774 -11.440 1.00 0.00 H new ATOM 1445 N GLN A 99 13.063 -8.925 -11.576 1.00 0.00 N ATOM 1446 CA GLN A 99 14.367 -8.481 -12.053 1.00 0.00 C ATOM 1447 C GLN A 99 15.091 -7.670 -10.983 1.00 0.00 C ATOM 1448 O GLN A 99 16.320 -7.628 -10.946 1.00 0.00 O ATOM 1449 CB GLN A 99 14.211 -7.645 -13.325 1.00 0.00 C ATOM 1450 CG GLN A 99 13.458 -6.343 -13.108 1.00 0.00 C ATOM 1451 CD GLN A 99 13.168 -5.614 -14.406 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.218 -6.202 -15.486 1.00 0.00 O ATOM 1453 NE2 GLN A 99 12.862 -4.326 -14.305 1.00 0.00 N ATOM 0 H GLN A 99 12.318 -8.237 -11.683 1.00 0.00 H new ATOM 0 HA GLN A 99 14.963 -9.365 -12.279 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.199 -7.421 -13.726 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.688 -8.236 -14.077 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.519 -6.552 -12.595 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.041 -5.695 -12.454 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.832 -3.879 -13.389 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.657 -3.783 -15.144 1.00 0.00 H new ATOM 1462 N GLY A 100 14.319 -7.025 -10.113 1.00 0.00 N ATOM 1463 CA GLY A 100 14.904 -6.224 -9.054 1.00 0.00 C ATOM 1464 C GLY A 100 14.876 -4.741 -9.367 1.00 0.00 C ATOM 1465 O GLY A 100 14.316 -4.324 -10.380 1.00 0.00 O ATOM 0 H GLY A 100 13.299 -7.043 -10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.365 -6.406 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.935 -6.539 -8.892 1.00 0.00 H new ATOM 1469 N SER A 101 15.482 -3.942 -8.494 1.00 0.00 N ATOM 1470 CA SER A 101 15.519 -2.496 -8.679 1.00 0.00 C ATOM 1471 C SER A 101 16.953 -2.009 -8.861 1.00 0.00 C ATOM 1472 O SER A 101 17.894 -2.802 -8.865 1.00 0.00 O ATOM 1473 CB SER A 101 14.877 -1.790 -7.484 1.00 0.00 C ATOM 1474 OG SER A 101 14.395 -0.508 -7.847 1.00 0.00 O ATOM 0 H SER A 101 15.954 -4.272 -7.652 1.00 0.00 H new ATOM 0 HA SER A 101 14.954 -2.256 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.056 -2.395 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.607 -1.693 -6.680 1.00 0.00 H new ATOM 0 HG SER A 101 14.687 0.151 -7.183 1.00 0.00 H new ATOM 1480 N ARG A 102 17.112 -0.698 -9.012 1.00 0.00 N ATOM 1481 CA ARG A 102 18.430 -0.103 -9.195 1.00 0.00 C ATOM 1482 C ARG A 102 18.748 0.874 -8.067 1.00 0.00 C ATOM 1483 O ARG A 102 19.794 0.777 -7.426 1.00 0.00 O ATOM 1484 CB ARG A 102 18.506 0.616 -10.543 1.00 0.00 C ATOM 1485 CG ARG A 102 19.926 0.838 -11.037 1.00 0.00 C ATOM 1486 CD ARG A 102 20.558 -0.459 -11.518 1.00 0.00 C ATOM 1487 NE ARG A 102 21.992 -0.315 -11.753 1.00 0.00 N ATOM 1488 CZ ARG A 102 22.822 -1.344 -11.888 1.00 0.00 C ATOM 1489 NH1 ARG A 102 22.362 -2.585 -11.811 1.00 0.00 N ATOM 1490 NH2 ARG A 102 24.114 -1.131 -12.100 1.00 0.00 N ATOM 0 H ARG A 102 16.343 -0.027 -9.011 1.00 0.00 H new ATOM 0 HA ARG A 102 19.168 -0.905 -9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.959 0.036 -11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 102 18.005 1.580 -10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 102 19.920 1.564 -11.850 1.00 0.00 H new ATOM 0 HG3 ARG A 102 20.529 1.262 -10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.389 -1.241 -10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 102 20.070 -0.780 -12.438 1.00 0.00 H new ATOM 0 HE ARG A 102 22.378 0.627 -11.817 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.369 -2.752 -11.648 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.001 -3.373 -11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 102 24.471 -0.177 -12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 102 24.751 -1.921 -12.204 1.00 0.00 H new ATOM 1504 N SER A 103 17.839 1.814 -7.831 1.00 0.00 N ATOM 1505 CA SER A 103 18.024 2.811 -6.784 1.00 0.00 C ATOM 1506 C SER A 103 16.691 3.439 -6.390 1.00 0.00 C ATOM 1507 O SER A 103 16.124 4.260 -7.111 1.00 0.00 O ATOM 1508 CB SER A 103 18.994 3.898 -7.251 1.00 0.00 C ATOM 1509 OG SER A 103 19.188 4.876 -6.244 1.00 0.00 O ATOM 0 H SER A 103 16.966 1.906 -8.351 1.00 0.00 H new ATOM 0 HA SER A 103 18.443 2.311 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.951 3.447 -7.514 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.607 4.372 -8.153 1.00 0.00 H new ATOM 0 HG SER A 103 19.813 5.558 -6.567 1.00 0.00 H new ATOM 1515 N PRO A 104 16.176 3.045 -5.215 1.00 0.00 N ATOM 1516 CA PRO A 104 16.841 2.068 -4.348 1.00 0.00 C ATOM 1517 C PRO A 104 16.825 0.662 -4.939 1.00 0.00 C ATOM 1518 O PRO A 104 15.796 0.195 -5.428 1.00 0.00 O ATOM 1519 CB PRO A 104 16.014 2.116 -3.060 1.00 0.00 C ATOM 1520 CG PRO A 104 14.668 2.585 -3.492 1.00 0.00 C ATOM 1521 CD PRO A 104 14.905 3.521 -4.644 1.00 0.00 C ATOM 0 HA PRO A 104 17.895 2.303 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 104 15.959 1.135 -2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.455 2.796 -2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 104 14.041 1.746 -3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.152 3.092 -2.677 1.00 0.00 H new ATOM 0 HD2 PRO A 104 14.095 3.475 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 104 14.977 4.557 -4.312 1.00 0.00 H new ATOM 1529 N TYR A 105 17.971 -0.008 -4.890 1.00 0.00 N ATOM 1530 CA TYR A 105 18.088 -1.360 -5.423 1.00 0.00 C ATOM 1531 C TYR A 105 17.393 -2.367 -4.512 1.00 0.00 C ATOM 1532 O TYR A 105 17.477 -2.274 -3.287 1.00 0.00 O ATOM 1533 CB TYR A 105 19.561 -1.739 -5.590 1.00 0.00 C ATOM 1534 CG TYR A 105 19.777 -3.199 -5.921 1.00 0.00 C ATOM 1535 CD1 TYR A 105 19.516 -4.190 -4.983 1.00 0.00 C ATOM 1536 CD2 TYR A 105 20.243 -3.586 -7.171 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.713 -5.525 -5.280 1.00 0.00 C ATOM 1538 CE2 TYR A 105 20.441 -4.918 -7.478 1.00 0.00 C ATOM 1539 CZ TYR A 105 20.175 -5.884 -6.529 1.00 0.00 C ATOM 1540 OH TYR A 105 20.372 -7.212 -6.831 1.00 0.00 O ATOM 0 H TYR A 105 18.831 0.363 -4.487 1.00 0.00 H new ATOM 0 HA TYR A 105 17.601 -1.382 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.997 -1.128 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 105 20.095 -1.501 -4.670 1.00 0.00 H new ATOM 0 HD1 TYR A 105 19.153 -3.912 -4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 105 20.454 -2.833 -7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.506 -6.283 -4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 105 20.802 -5.202 -8.455 1.00 0.00 H new ATOM 0 HH TYR A 105 20.699 -7.293 -7.751 1.00 0.00 H new ATOM 1550 N ILE A 106 16.707 -3.330 -5.119 1.00 0.00 N ATOM 1551 CA ILE A 106 15.998 -4.355 -4.364 1.00 0.00 C ATOM 1552 C ILE A 106 16.129 -5.719 -5.032 1.00 0.00 C ATOM 1553 O ILE A 106 16.091 -5.845 -6.257 1.00 0.00 O ATOM 1554 CB ILE A 106 14.504 -4.011 -4.213 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.736 -4.413 -5.474 1.00 0.00 C ATOM 1556 CG2 ILE A 106 14.328 -2.527 -3.928 1.00 0.00 C ATOM 1557 CD1 ILE A 106 13.263 -5.850 -5.462 1.00 0.00 C ATOM 0 H ILE A 106 16.627 -3.421 -6.132 1.00 0.00 H new ATOM 0 HA ILE A 106 16.456 -4.392 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 106 14.100 -4.572 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.874 -3.756 -5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.374 -4.256 -6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 106 13.267 -2.300 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.846 -2.270 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.744 -1.947 -4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.727 -6.064 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.122 -6.515 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.599 -6.007 -4.612 1.00 0.00 H new ATOM 1569 N PRO A 107 16.286 -6.768 -4.211 1.00 0.00 N ATOM 1570 CA PRO A 107 16.424 -8.143 -4.700 1.00 0.00 C ATOM 1571 C PRO A 107 15.126 -8.679 -5.296 1.00 0.00 C ATOM 1572 O PRO A 107 14.029 -8.379 -4.825 1.00 0.00 O ATOM 1573 CB PRO A 107 16.801 -8.931 -3.443 1.00 0.00 C ATOM 1574 CG PRO A 107 16.247 -8.131 -2.315 1.00 0.00 C ATOM 1575 CD PRO A 107 16.341 -6.692 -2.741 1.00 0.00 C ATOM 0 HA PRO A 107 17.158 -8.218 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.376 -9.935 -3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.882 -9.044 -3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.214 -8.410 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.812 -8.304 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.520 -6.099 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.266 -6.230 -2.397 1.00 0.00 H new ATOM 1583 N PRO A 108 15.252 -9.491 -6.356 1.00 0.00 N ATOM 1584 CA PRO A 108 14.099 -10.087 -7.037 1.00 0.00 C ATOM 1585 C PRO A 108 13.405 -11.144 -6.186 1.00 0.00 C ATOM 1586 O PRO A 108 13.985 -11.670 -5.236 1.00 0.00 O ATOM 1587 CB PRO A 108 14.715 -10.725 -8.285 1.00 0.00 C ATOM 1588 CG PRO A 108 16.132 -10.994 -7.912 1.00 0.00 C ATOM 1589 CD PRO A 108 16.529 -9.891 -6.970 1.00 0.00 C ATOM 0 HA PRO A 108 13.328 -9.348 -7.255 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.196 -11.644 -8.557 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.652 -10.057 -9.144 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.232 -11.969 -7.435 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.773 -11.003 -8.794 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.243 -10.238 -6.223 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.998 -9.061 -7.498 1.00 0.00 H new ATOM 1597 N HIS A 109 12.159 -11.452 -6.532 1.00 0.00 N ATOM 1598 CA HIS A 109 11.385 -12.448 -5.800 1.00 0.00 C ATOM 1599 C HIS A 109 11.520 -12.241 -4.294 1.00 0.00 C ATOM 1600 O HIS A 109 11.360 -13.178 -3.512 1.00 0.00 O ATOM 1601 CB HIS A 109 11.843 -13.858 -6.176 1.00 0.00 C ATOM 1602 CG HIS A 109 11.874 -14.103 -7.653 1.00 0.00 C ATOM 1603 ND1 HIS A 109 12.907 -14.379 -8.483 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.745 -14.077 -8.444 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.389 -14.515 -9.747 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.082 -14.329 -9.696 1.00 0.00 N flip ATOM 0 H HIS A 109 11.664 -11.026 -7.315 1.00 0.00 H new ATOM 0 HA HIS A 109 10.336 -12.330 -6.073 1.00 0.00 H new ATOM 0 HB2 HIS A 109 12.839 -14.029 -5.767 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.177 -14.584 -5.709 1.00 0.00 H new ATOM 0 HD2 HIS A 109 9.742 -13.881 -8.095 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.957 -14.738 -10.638 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.442 -14.373 -10.489 1.00 0.00 H new ATOM 1615 N ALA A 110 11.817 -11.009 -3.895 1.00 0.00 N ATOM 1616 CA ALA A 110 11.972 -10.679 -2.484 1.00 0.00 C ATOM 1617 C ALA A 110 10.763 -9.910 -1.964 1.00 0.00 C ATOM 1618 O ALA A 110 10.660 -8.698 -2.147 1.00 0.00 O ATOM 1619 CB ALA A 110 13.245 -9.874 -2.267 1.00 0.00 C ATOM 0 H ALA A 110 11.955 -10.222 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 110 12.045 -11.611 -1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.348 -9.634 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.105 -10.459 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.195 -8.951 -2.845 1.00 0.00 H new ATOM 1625 N ALA A 111 9.849 -10.624 -1.314 1.00 0.00 N ATOM 1626 CA ALA A 111 8.646 -10.008 -0.766 1.00 0.00 C ATOM 1627 C ALA A 111 8.983 -8.731 -0.004 1.00 0.00 C ATOM 1628 O ALA A 111 10.122 -8.531 0.422 1.00 0.00 O ATOM 1629 CB ALA A 111 7.916 -10.989 0.139 1.00 0.00 C ATOM 0 H ALA A 111 9.919 -11.629 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 111 7.992 -9.743 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.020 -10.516 0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.634 -11.872 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.570 -11.283 0.960 1.00 0.00 H new ATOM 1635 N LEU A 112 7.987 -7.869 0.166 1.00 0.00 N ATOM 1636 CA LEU A 112 8.177 -6.610 0.878 1.00 0.00 C ATOM 1637 C LEU A 112 6.894 -6.184 1.584 1.00 0.00 C ATOM 1638 O LEU A 112 5.817 -6.178 0.986 1.00 0.00 O ATOM 1639 CB LEU A 112 8.626 -5.515 -0.093 1.00 0.00 C ATOM 1640 CG LEU A 112 9.859 -5.834 -0.939 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.818 -5.066 -2.251 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.132 -5.512 -0.170 1.00 0.00 C ATOM 0 H LEU A 112 7.039 -8.019 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 112 8.951 -6.760 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.797 -5.290 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.827 -4.609 0.479 1.00 0.00 H new ATOM 0 HG LEU A 112 9.855 -6.900 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.703 -5.305 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.924 -5.346 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.797 -3.996 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.999 -5.745 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.144 -4.453 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.166 -6.107 0.743 1.00 0.00 H new ATOM 1654 N CYS A 113 7.017 -5.826 2.857 1.00 0.00 N ATOM 1655 CA CYS A 113 5.866 -5.397 3.645 1.00 0.00 C ATOM 1656 C CYS A 113 5.528 -3.937 3.362 1.00 0.00 C ATOM 1657 O CYS A 113 6.387 -3.060 3.453 1.00 0.00 O ATOM 1658 CB CYS A 113 6.144 -5.589 5.137 1.00 0.00 C ATOM 1659 SG CYS A 113 5.732 -7.236 5.759 1.00 0.00 S ATOM 0 H CYS A 113 7.901 -5.824 3.366 1.00 0.00 H new ATOM 0 HA CYS A 113 5.012 -6.011 3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 113 7.200 -5.394 5.327 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.577 -4.848 5.700 1.00 0.00 H new ATOM 0 HG CYS A 113 6.004 -7.301 7.029 1.00 0.00 H new ATOM 1665 N LEU A 114 4.270 -3.684 3.016 1.00 0.00 N ATOM 1666 CA LEU A 114 3.817 -2.330 2.718 1.00 0.00 C ATOM 1667 C LEU A 114 2.548 -1.996 3.495 1.00 0.00 C ATOM 1668 O LEU A 114 1.530 -2.674 3.361 1.00 0.00 O ATOM 1669 CB LEU A 114 3.565 -2.175 1.217 1.00 0.00 C ATOM 1670 CG LEU A 114 4.550 -2.891 0.293 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.066 -2.839 -1.148 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.937 -2.275 0.413 1.00 0.00 C ATOM 0 H LEU A 114 3.546 -4.398 2.935 1.00 0.00 H new ATOM 0 HA LEU A 114 4.600 -1.636 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.562 -2.540 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.578 -1.112 0.975 1.00 0.00 H new ATOM 0 HG LEU A 114 4.609 -3.936 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.780 -3.354 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.094 -3.326 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.977 -1.800 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.626 -2.797 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.893 -1.222 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.287 -2.365 1.441 1.00 0.00 H new ATOM 1684 N GLU A 115 2.617 -0.946 4.308 1.00 0.00 N ATOM 1685 CA GLU A 115 1.473 -0.522 5.106 1.00 0.00 C ATOM 1686 C GLU A 115 0.766 0.665 4.456 1.00 0.00 C ATOM 1687 O GLU A 115 1.269 1.788 4.477 1.00 0.00 O ATOM 1688 CB GLU A 115 1.919 -0.151 6.521 1.00 0.00 C ATOM 1689 CG GLU A 115 0.786 -0.140 7.534 1.00 0.00 C ATOM 1690 CD GLU A 115 1.217 0.394 8.886 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.305 0.003 9.358 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.467 1.203 9.471 1.00 0.00 O ATOM 0 H GLU A 115 3.453 -0.374 4.431 1.00 0.00 H new ATOM 0 HA GLU A 115 0.772 -1.355 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.682 -0.857 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.385 0.834 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.033 0.469 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.401 -1.153 7.654 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.403 0.406 3.879 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.180 1.452 3.224 1.00 0.00 C ATOM 1701 C VAL A 116 -2.146 2.112 4.201 1.00 0.00 C ATOM 1702 O VAL A 116 -2.710 1.454 5.075 1.00 0.00 O ATOM 1703 CB VAL A 116 -1.976 0.894 2.029 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.583 2.028 1.217 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.086 0.020 1.158 1.00 0.00 C ATOM 0 H VAL A 116 -0.833 -0.519 3.852 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.470 2.195 2.862 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.789 0.277 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.142 1.615 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.255 2.609 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.788 2.673 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.664 -0.366 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.251 0.611 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.704 -0.813 1.749 1.00 0.00 H new ATOM 1715 N THR A 117 -2.335 3.419 4.046 1.00 0.00 N ATOM 1716 CA THR A 117 -3.233 4.170 4.914 1.00 0.00 C ATOM 1717 C THR A 117 -3.926 5.292 4.150 1.00 0.00 C ATOM 1718 O THR A 117 -3.315 6.316 3.840 1.00 0.00 O ATOM 1719 CB THR A 117 -2.479 4.772 6.116 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.924 3.726 6.920 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.408 5.631 6.961 1.00 0.00 C ATOM 0 H THR A 117 -1.878 3.979 3.327 1.00 0.00 H new ATOM 0 HA THR A 117 -3.982 3.467 5.279 1.00 0.00 H new ATOM 0 HB THR A 117 -1.675 5.401 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.445 4.117 7.681 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.854 6.045 7.804 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.805 6.444 6.353 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.231 5.020 7.333 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.205 5.094 3.849 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.983 6.091 3.121 1.00 0.00 C ATOM 1731 C LEU A 118 -6.212 7.333 3.975 1.00 0.00 C ATOM 1732 O LEU A 118 -6.974 7.304 4.941 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.326 5.501 2.688 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.922 6.066 1.398 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.521 7.442 1.645 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.865 6.130 0.305 1.00 0.00 C ATOM 0 H LEU A 118 -5.725 4.253 4.098 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.418 6.381 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.206 4.424 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.044 5.654 3.494 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.718 5.400 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.940 7.828 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.308 7.367 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.744 8.118 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.307 6.534 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.046 6.773 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.483 5.128 0.109 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.548 8.425 3.611 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.681 9.681 4.341 1.00 0.00 C ATOM 1750 C LYS A 119 -6.881 10.477 3.839 1.00 0.00 C ATOM 1751 O LYS A 119 -7.831 10.726 4.583 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.406 10.515 4.199 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.133 9.730 4.467 1.00 0.00 C ATOM 1754 CD LYS A 119 -2.723 9.815 5.927 1.00 0.00 C ATOM 1755 CE LYS A 119 -3.718 9.101 6.828 1.00 0.00 C ATOM 1756 NZ LYS A 119 -4.773 10.024 7.331 1.00 0.00 N ATOM 0 H LYS A 119 -4.912 8.466 2.815 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.838 9.446 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.363 10.929 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.455 11.358 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.283 8.686 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.329 10.114 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.734 9.375 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.647 10.861 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.183 8.283 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.190 8.658 7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.709 9.595 7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.628 10.197 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.720 10.926 6.815 1.00 0.00 H new ATOM 1770 N THR A 120 -6.833 10.875 2.572 1.00 0.00 N ATOM 1771 CA THR A 120 -7.916 11.643 1.970 1.00 0.00 C ATOM 1772 C THR A 120 -7.970 11.429 0.462 1.00 0.00 C ATOM 1773 O THR A 120 -6.956 11.135 -0.169 1.00 0.00 O ATOM 1774 CB THR A 120 -7.764 13.149 2.258 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.416 13.562 2.010 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.140 13.465 3.698 1.00 0.00 C ATOM 0 H THR A 120 -6.055 10.678 1.942 1.00 0.00 H new ATOM 0 HA THR A 120 -8.843 11.286 2.418 1.00 0.00 H new ATOM 0 HB THR A 120 -8.437 13.693 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.329 14.521 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.025 14.534 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.176 13.177 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.489 12.911 4.374 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.160 11.580 -0.110 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.345 11.406 -1.545 1.00 0.00 C ATOM 1786 C ALA A 121 -10.056 12.608 -2.157 1.00 0.00 C ATOM 1787 O ALA A 121 -11.216 12.882 -1.845 1.00 0.00 O ATOM 1788 CB ALA A 121 -10.126 10.130 -1.826 1.00 0.00 C ATOM 0 H ALA A 121 -10.010 11.822 0.399 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.360 11.326 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.257 10.013 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.578 9.274 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -11.103 10.188 -1.346 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.354 13.325 -3.029 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.918 14.498 -3.685 1.00 0.00 C ATOM 1796 C VAL A 122 -9.494 14.567 -5.148 1.00 0.00 C ATOM 1797 O VAL A 122 -8.559 13.886 -5.567 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.491 15.797 -2.976 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.854 15.744 -1.500 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.001 16.038 -3.159 1.00 0.00 C ATOM 0 H VAL A 122 -8.393 13.113 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.002 14.402 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.029 16.631 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.545 16.670 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.932 15.622 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.346 14.902 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.717 16.960 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.443 15.203 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.774 16.124 -4.222 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.188 15.396 -5.921 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.883 15.556 -7.338 1.00 0.00 C ATOM 1812 C ASP A 123 -8.744 16.550 -7.539 1.00 0.00 C ATOM 1813 O ASP A 123 -7.878 16.353 -8.392 1.00 0.00 O ATOM 1814 CB ASP A 123 -11.124 16.022 -8.099 1.00 0.00 C ATOM 1815 CG ASP A 123 -11.060 15.682 -9.575 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.410 16.435 -10.331 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.659 14.662 -9.975 1.00 0.00 O ATOM 0 H ASP A 123 -10.965 15.967 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.570 14.588 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -12.009 15.561 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.235 17.100 -7.982 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.751 17.619 -6.749 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.720 18.645 -6.842 1.00 0.00 C ATOM 1824 C ARG A 124 -6.353 18.077 -6.473 1.00 0.00 C ATOM 1825 O ARG A 124 -6.220 17.248 -5.573 1.00 0.00 O ATOM 1826 CB ARG A 124 -8.059 19.823 -5.927 1.00 0.00 C ATOM 1827 CG ARG A 124 -9.179 20.704 -6.456 1.00 0.00 C ATOM 1828 CD ARG A 124 -9.963 21.348 -5.324 1.00 0.00 C ATOM 1829 NE ARG A 124 -9.248 22.478 -4.737 1.00 0.00 N ATOM 1830 CZ ARG A 124 -9.828 23.399 -3.976 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -11.125 23.324 -3.710 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -9.110 24.398 -3.478 1.00 0.00 N ATOM 0 H ARG A 124 -9.460 17.797 -6.037 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.682 18.994 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.342 19.440 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.166 20.431 -5.786 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.761 21.480 -7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.852 20.108 -7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.929 21.686 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.162 20.605 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.249 22.565 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.680 22.557 -4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.567 24.033 -3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.112 24.459 -3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.556 25.105 -2.894 1.00 0.00 H new ATOM 1846 N PRO A 125 -5.311 18.533 -7.184 1.00 0.00 N ATOM 1847 CA PRO A 125 -3.935 18.084 -6.950 1.00 0.00 C ATOM 1848 C PRO A 125 -3.378 18.591 -5.624 1.00 0.00 C ATOM 1849 O PRO A 125 -3.828 19.610 -5.100 1.00 0.00 O ATOM 1850 CB PRO A 125 -3.160 18.689 -8.123 1.00 0.00 C ATOM 1851 CG PRO A 125 -3.958 19.878 -8.531 1.00 0.00 C ATOM 1852 CD PRO A 125 -5.395 19.522 -8.272 1.00 0.00 C ATOM 0 HA PRO A 125 -3.865 16.998 -6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -2.150 18.973 -7.826 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.063 17.977 -8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -3.665 20.759 -7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.798 20.113 -9.583 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.978 20.394 -7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.872 19.104 -9.159 1.00 0.00 H new ATOM 1860 N ASP A 126 -2.396 17.875 -5.088 1.00 0.00 N ATOM 1861 CA ASP A 126 -1.776 18.253 -3.823 1.00 0.00 C ATOM 1862 C ASP A 126 -0.369 18.798 -4.050 1.00 0.00 C ATOM 1863 O ASP A 126 0.014 19.817 -3.473 1.00 0.00 O ATOM 1864 CB ASP A 126 -1.725 17.054 -2.876 1.00 0.00 C ATOM 1865 CG ASP A 126 -0.984 17.363 -1.590 1.00 0.00 C ATOM 1866 OD1 ASP A 126 -1.329 18.367 -0.933 1.00 0.00 O ATOM 1867 OD2 ASP A 126 -0.057 16.601 -1.242 1.00 0.00 O ATOM 0 H ASP A 126 -2.012 17.029 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 126 -2.382 19.037 -3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -2.741 16.738 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.240 16.218 -3.379 1.00 0.00 H new ATOM 1872 N LEU A 127 0.396 18.113 -4.893 1.00 0.00 N ATOM 1873 CA LEU A 127 1.762 18.528 -5.195 1.00 0.00 C ATOM 1874 C LEU A 127 1.781 19.563 -6.315 1.00 0.00 C ATOM 1875 O LEU A 127 1.809 19.215 -7.495 1.00 0.00 O ATOM 1876 CB LEU A 127 2.608 17.316 -5.591 1.00 0.00 C ATOM 1877 CG LEU A 127 4.106 17.420 -5.302 1.00 0.00 C ATOM 1878 CD1 LEU A 127 4.344 18.060 -3.943 1.00 0.00 C ATOM 1879 CD2 LEU A 127 4.758 16.047 -5.369 1.00 0.00 C ATOM 0 H LEU A 127 0.094 17.269 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 127 2.185 18.982 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 127 2.218 16.441 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 127 2.476 17.139 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 127 4.561 18.054 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 127 5.416 18.126 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 127 3.911 19.060 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 127 3.876 17.453 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 127 5.824 16.140 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 127 4.300 15.390 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.618 15.626 -6.365 1.00 0.00 H new ATOM 1891 N GLU A 128 1.769 20.838 -5.936 1.00 0.00 N ATOM 1892 CA GLU A 128 1.786 21.924 -6.909 1.00 0.00 C ATOM 1893 C GLU A 128 3.098 21.935 -7.688 1.00 0.00 C ATOM 1894 O GLU A 128 3.983 22.747 -7.421 1.00 0.00 O ATOM 1895 CB GLU A 128 1.584 23.269 -6.209 1.00 0.00 C ATOM 1896 CG GLU A 128 2.390 23.416 -4.929 1.00 0.00 C ATOM 1897 CD GLU A 128 1.645 22.910 -3.709 1.00 0.00 C ATOM 1898 OE1 GLU A 128 0.417 23.124 -3.633 1.00 0.00 O ATOM 1899 OE2 GLU A 128 2.289 22.300 -2.831 1.00 0.00 O ATOM 0 H GLU A 128 1.748 21.143 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 128 0.968 21.762 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 128 1.858 24.071 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.526 23.394 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.328 22.870 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.646 24.465 -4.784 1.00 0.00 H new ATOM 1906 N MET A 129 3.216 21.027 -8.651 1.00 0.00 N ATOM 1907 CA MET A 129 4.419 20.933 -9.469 1.00 0.00 C ATOM 1908 C MET A 129 4.090 21.127 -10.946 1.00 0.00 C ATOM 1909 O MET A 129 3.717 20.180 -11.638 1.00 0.00 O ATOM 1910 CB MET A 129 5.100 19.579 -9.260 1.00 0.00 C ATOM 1911 CG MET A 129 6.397 19.424 -10.036 1.00 0.00 C ATOM 1912 SD MET A 129 6.870 17.699 -10.263 1.00 0.00 S ATOM 1913 CE MET A 129 6.168 17.365 -11.877 1.00 0.00 C ATOM 0 H MET A 129 2.493 20.346 -8.884 1.00 0.00 H new ATOM 0 HA MET A 129 5.100 21.726 -9.160 1.00 0.00 H new ATOM 0 HB2 MET A 129 5.304 19.444 -8.198 1.00 0.00 H new ATOM 0 HB3 MET A 129 4.413 18.786 -9.556 1.00 0.00 H new ATOM 0 HG2 MET A 129 6.291 19.899 -11.011 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.195 19.949 -9.511 1.00 0.00 H new ATOM 0 HE1 MET A 129 6.377 16.333 -12.158 1.00 0.00 H new ATOM 0 HE2 MET A 129 5.090 17.520 -11.844 1.00 0.00 H new ATOM 0 HE3 MET A 129 6.609 18.038 -12.612 1.00 0.00 H new ATOM 1923 N SER A 130 4.229 22.360 -11.422 1.00 0.00 N ATOM 1924 CA SER A 130 3.942 22.678 -12.816 1.00 0.00 C ATOM 1925 C SER A 130 4.945 22.001 -13.746 1.00 0.00 C ATOM 1926 O SER A 130 6.152 22.047 -13.514 1.00 0.00 O ATOM 1927 CB SER A 130 3.971 24.192 -13.032 1.00 0.00 C ATOM 1928 OG SER A 130 2.973 24.837 -12.259 1.00 0.00 O ATOM 0 H SER A 130 4.539 23.155 -10.863 1.00 0.00 H new ATOM 0 HA SER A 130 2.946 22.303 -13.050 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.953 24.582 -12.763 1.00 0.00 H new ATOM 0 HB3 SER A 130 3.818 24.415 -14.088 1.00 0.00 H new ATOM 0 HG SER A 130 3.014 25.804 -12.414 1.00 0.00 H new ATOM 1934 N GLY A 131 4.434 21.373 -14.800 1.00 0.00 N ATOM 1935 CA GLY A 131 5.297 20.695 -15.750 1.00 0.00 C ATOM 1936 C GLY A 131 4.517 19.915 -16.789 1.00 0.00 C ATOM 1937 O GLY A 131 3.430 19.400 -16.523 1.00 0.00 O ATOM 0 H GLY A 131 3.438 21.321 -15.013 1.00 0.00 H new ATOM 0 HA2 GLY A 131 5.929 21.429 -16.250 1.00 0.00 H new ATOM 0 HA3 GLY A 131 5.960 20.017 -15.213 1.00 0.00 H new ATOM 1941 N PRO A 132 5.074 19.820 -18.005 1.00 0.00 N ATOM 1942 CA PRO A 132 4.439 19.100 -19.113 1.00 0.00 C ATOM 1943 C PRO A 132 4.429 17.591 -18.893 1.00 0.00 C ATOM 1944 O PRO A 132 5.030 17.089 -17.943 1.00 0.00 O ATOM 1945 CB PRO A 132 5.313 19.459 -20.317 1.00 0.00 C ATOM 1946 CG PRO A 132 6.644 19.788 -19.734 1.00 0.00 C ATOM 1947 CD PRO A 132 6.367 20.409 -18.393 1.00 0.00 C ATOM 0 HA PRO A 132 3.392 19.377 -19.232 1.00 0.00 H new ATOM 0 HB2 PRO A 132 5.382 18.627 -21.018 1.00 0.00 H new ATOM 0 HB3 PRO A 132 4.901 20.305 -20.867 1.00 0.00 H new ATOM 0 HG2 PRO A 132 7.257 18.892 -19.630 1.00 0.00 H new ATOM 0 HG3 PRO A 132 7.192 20.476 -20.377 1.00 0.00 H new ATOM 0 HD2 PRO A 132 7.149 20.173 -17.671 1.00 0.00 H new ATOM 0 HD3 PRO A 132 6.311 21.496 -18.457 1.00 0.00 H new ATOM 1955 N SER A 133 3.743 16.873 -19.777 1.00 0.00 N ATOM 1956 CA SER A 133 3.652 15.421 -19.677 1.00 0.00 C ATOM 1957 C SER A 133 4.347 14.751 -20.858 1.00 0.00 C ATOM 1958 O SER A 133 5.292 13.982 -20.681 1.00 0.00 O ATOM 1959 CB SER A 133 2.188 14.984 -19.617 1.00 0.00 C ATOM 1960 OG SER A 133 2.081 13.577 -19.487 1.00 0.00 O ATOM 0 H SER A 133 3.242 17.273 -20.570 1.00 0.00 H new ATOM 0 HA SER A 133 4.154 15.112 -18.760 1.00 0.00 H new ATOM 0 HB2 SER A 133 1.695 15.469 -18.775 1.00 0.00 H new ATOM 0 HB3 SER A 133 1.671 15.309 -20.520 1.00 0.00 H new ATOM 0 HG SER A 133 1.135 13.323 -19.449 1.00 0.00 H new ATOM 1966 N SER A 134 3.872 15.049 -22.063 1.00 0.00 N ATOM 1967 CA SER A 134 4.445 14.473 -23.274 1.00 0.00 C ATOM 1968 C SER A 134 5.043 15.560 -24.162 1.00 0.00 C ATOM 1969 O SER A 134 4.852 16.751 -23.919 1.00 0.00 O ATOM 1970 CB SER A 134 3.378 13.696 -24.048 1.00 0.00 C ATOM 1971 OG SER A 134 2.434 14.574 -24.637 1.00 0.00 O ATOM 0 H SER A 134 3.092 15.686 -22.227 1.00 0.00 H new ATOM 0 HA SER A 134 5.241 13.789 -22.980 1.00 0.00 H new ATOM 0 HB2 SER A 134 3.853 13.094 -24.823 1.00 0.00 H new ATOM 0 HB3 SER A 134 2.868 13.006 -23.376 1.00 0.00 H new ATOM 0 HG SER A 134 1.764 14.053 -25.127 1.00 0.00 H new ATOM 1977 N GLY A 135 5.769 15.139 -25.194 1.00 0.00 N ATOM 1978 CA GLY A 135 6.385 16.088 -26.103 1.00 0.00 C ATOM 1979 C GLY A 135 7.727 16.583 -25.603 1.00 0.00 C ATOM 1980 O GLY A 135 8.245 17.589 -26.087 1.00 0.00 O ATOM 0 H GLY A 135 5.941 14.159 -25.416 1.00 0.00 H new ATOM 0 HA2 GLY A 135 6.515 15.620 -27.079 1.00 0.00 H new ATOM 0 HA3 GLY A 135 5.717 16.938 -26.243 1.00 0.00 H new TER 1984 GLY A 135