USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 763 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 94 HIS : no HE2:sc= -3.73 K(o=-5.9,f=-10!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -2.14 K(o=-5.9,f=-7.8!) USER MOD Set 2.1: A 37 THR OG1 : rot 150:sc= 0 USER MOD Set 2.2: A 41 ASN : amide:sc= -2.2 X(o=-2.2,f=-2.7) USER MOD Single : A 1 SER N :NH3+ -151:sc= 0.0243 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.14 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0639 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.233 K(o=-0.23,f=-3.7!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.813 X(o=-0.81,f=-1.1) USER MOD Single : A 24 SER OG : rot -87:sc= 0.918 USER MOD Single : A 25 MET CE :methyl -117:sc= 0 (180deg=-0.102) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 38:sc= 0.0702 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.8! K(o=-5.8!,f=-2.7) USER MOD Single : A 47 ASN : amide:sc= -0.93 K(o=-0.93,f=-1.5) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0126 USER MOD Single : A 56 SER OG : rot 180:sc=0.000295 USER MOD Single : A 58 SER OG : rot -96:sc= -0.0624 USER MOD Single : A 63 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-6.2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= -0.0337 (180deg=-0.424) USER MOD Single : A 74 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.1!) USER MOD Single : A 76 LYS NZ :NH3+ -122:sc= 0.401 (180deg=0) USER MOD Single : A 81 SER OG : rot 16:sc= 1.63 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 91 HIS : no HD1:sc=-0.00292 X(o=-0.0029,f=-0.0029) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 93 HIS : no HE2:sc= -0.409 K(o=-0.41,f=-1.5) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -24.816 5.327 -27.113 1.00 1.00 N ATOM 2 CA SER A 1 -24.323 3.983 -26.710 1.00 1.00 C ATOM 3 C SER A 1 -23.495 4.107 -25.440 1.00 1.00 C ATOM 4 O SER A 1 -23.893 3.629 -24.378 1.00 1.00 O ATOM 5 CB SER A 1 -23.464 3.400 -27.826 1.00 1.00 C ATOM 6 OG SER A 1 -22.388 4.283 -28.100 1.00 1.00 O ATOM 0 H1 SER A 1 -25.717 5.228 -27.623 1.00 1.00 H new ATOM 0 H2 SER A 1 -24.960 5.912 -26.266 1.00 1.00 H new ATOM 0 H3 SER A 1 -24.116 5.782 -27.733 1.00 1.00 H new ATOM 0 HA SER A 1 -25.172 3.324 -26.526 1.00 1.00 H new ATOM 0 HB2 SER A 1 -23.081 2.422 -27.533 1.00 1.00 H new ATOM 0 HB3 SER A 1 -24.065 3.251 -28.723 1.00 1.00 H new ATOM 0 HG SER A 1 -21.833 3.910 -28.816 1.00 1.00 H new ATOM 14 N SER A 2 -22.342 4.757 -25.553 1.00 1.00 N ATOM 15 CA SER A 2 -21.449 4.951 -24.416 1.00 1.00 C ATOM 16 C SER A 2 -20.398 6.009 -24.730 1.00 1.00 C ATOM 17 O SER A 2 -20.284 7.005 -24.017 1.00 1.00 O ATOM 18 CB SER A 2 -20.769 3.630 -24.054 1.00 1.00 C ATOM 19 OG SER A 2 -19.965 3.816 -22.900 1.00 1.00 O ATOM 0 H SER A 2 -22.002 5.161 -26.426 1.00 1.00 H new ATOM 0 HA SER A 2 -22.041 5.294 -23.567 1.00 1.00 H new ATOM 0 HB2 SER A 2 -21.519 2.861 -23.869 1.00 1.00 H new ATOM 0 HB3 SER A 2 -20.156 3.284 -24.886 1.00 1.00 H new ATOM 0 HG SER A 2 -19.529 2.970 -22.665 1.00 1.00 H new ATOM 25 N GLN A 3 -19.623 5.812 -25.792 1.00 1.00 N ATOM 26 CA GLN A 3 -18.581 6.756 -26.192 1.00 1.00 C ATOM 27 C GLN A 3 -17.636 7.022 -25.027 1.00 1.00 C ATOM 28 O GLN A 3 -17.697 8.067 -24.380 1.00 1.00 O ATOM 29 CB GLN A 3 -19.212 8.068 -26.674 1.00 1.00 C ATOM 30 CG GLN A 3 -18.135 8.985 -27.269 1.00 1.00 C ATOM 31 CD GLN A 3 -18.768 10.272 -27.783 1.00 1.00 C ATOM 32 OE1 GLN A 3 -19.612 10.863 -27.107 1.00 1.00 O ATOM 33 NE2 GLN A 3 -18.409 10.748 -28.944 1.00 1.00 N ATOM 0 H GLN A 3 -19.698 4.996 -26.399 1.00 1.00 H new ATOM 0 HA GLN A 3 -18.010 6.321 -27.012 1.00 1.00 H new ATOM 0 HB2 GLN A 3 -19.977 7.859 -27.422 1.00 1.00 H new ATOM 0 HB3 GLN A 3 -19.708 8.569 -25.843 1.00 1.00 H new ATOM 0 HG2 GLN A 3 -17.385 9.216 -26.513 1.00 1.00 H new ATOM 0 HG3 GLN A 3 -17.620 8.474 -28.082 1.00 1.00 H new ATOM 0 HE21 GLN A 3 -17.710 10.258 -29.502 1.00 1.00 H new ATOM 0 HE22 GLN A 3 -18.827 11.610 -29.293 1.00 1.00 H new ATOM 42 N THR A 4 -16.760 6.065 -24.746 1.00 1.00 N ATOM 43 CA THR A 4 -15.808 6.191 -23.645 1.00 1.00 C ATOM 44 C THR A 4 -16.557 6.445 -22.348 1.00 1.00 C ATOM 45 O THR A 4 -17.057 7.544 -22.110 1.00 1.00 O ATOM 46 CB THR A 4 -14.826 7.343 -23.906 1.00 1.00 C ATOM 47 OG1 THR A 4 -14.214 7.158 -25.172 1.00 1.00 O ATOM 48 CG2 THR A 4 -13.747 7.367 -22.817 1.00 1.00 C ATOM 0 H THR A 4 -16.688 5.190 -25.266 1.00 1.00 H new ATOM 0 HA THR A 4 -15.243 5.262 -23.567 1.00 1.00 H new ATOM 0 HB THR A 4 -15.368 8.288 -23.892 1.00 1.00 H new ATOM 0 HG1 THR A 4 -13.588 7.892 -25.343 1.00 1.00 H new ATOM 0 HG21 THR A 4 -13.054 8.187 -23.009 1.00 1.00 H new ATOM 0 HG22 THR A 4 -14.216 7.509 -21.843 1.00 1.00 H new ATOM 0 HG23 THR A 4 -13.202 6.423 -22.823 1.00 1.00 H new ATOM 56 N LEU A 5 -16.651 5.430 -21.496 1.00 1.00 N ATOM 57 CA LEU A 5 -17.352 5.566 -20.218 1.00 1.00 C ATOM 58 C LEU A 5 -16.678 4.730 -19.139 1.00 1.00 C ATOM 59 O LEU A 5 -16.227 5.266 -18.126 1.00 1.00 O ATOM 60 CB LEU A 5 -18.822 5.135 -20.378 1.00 1.00 C ATOM 61 CG LEU A 5 -19.608 5.339 -19.059 1.00 1.00 C ATOM 62 CD1 LEU A 5 -19.611 6.832 -18.628 1.00 1.00 C ATOM 63 CD2 LEU A 5 -21.051 4.851 -19.264 1.00 1.00 C ATOM 0 H LEU A 5 -16.253 4.506 -21.663 1.00 1.00 H new ATOM 0 HA LEU A 5 -17.315 6.612 -19.914 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -19.289 5.712 -21.176 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -18.867 4.087 -20.674 1.00 1.00 H new ATOM 0 HG LEU A 5 -19.123 4.767 -18.268 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -20.171 6.941 -17.699 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -18.586 7.169 -18.476 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -20.079 7.435 -19.407 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -21.616 4.989 -18.342 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -21.518 5.423 -20.065 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -21.043 3.794 -19.530 1.00 1.00 H new ATOM 75 N ASP A 6 -16.616 3.419 -19.347 1.00 1.00 N ATOM 76 CA ASP A 6 -16.003 2.517 -18.386 1.00 1.00 C ATOM 77 C ASP A 6 -16.684 2.648 -17.024 1.00 1.00 C ATOM 78 O ASP A 6 -17.560 3.491 -16.832 1.00 1.00 O ATOM 79 CB ASP A 6 -14.508 2.811 -18.258 1.00 1.00 C ATOM 80 CG ASP A 6 -13.832 1.729 -17.421 1.00 1.00 C ATOM 81 OD1 ASP A 6 -14.139 0.566 -17.632 1.00 1.00 O ATOM 82 OD2 ASP A 6 -13.021 2.078 -16.582 1.00 1.00 O ATOM 0 H ASP A 6 -16.986 2.958 -20.178 1.00 1.00 H new ATOM 0 HA ASP A 6 -16.129 1.495 -18.743 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -14.052 2.855 -19.247 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -14.359 3.786 -17.795 1.00 1.00 H new ATOM 87 N ARG A 7 -16.279 1.805 -16.080 1.00 1.00 N ATOM 88 CA ARG A 7 -16.866 1.814 -14.725 1.00 1.00 C ATOM 89 C ARG A 7 -15.799 1.703 -13.650 1.00 1.00 C ATOM 90 O ARG A 7 -14.834 0.949 -13.773 1.00 1.00 O ATOM 91 CB ARG A 7 -17.863 0.651 -14.593 1.00 1.00 C ATOM 92 CG ARG A 7 -19.010 0.785 -15.624 1.00 1.00 C ATOM 93 CD ARG A 7 -19.947 1.950 -15.262 1.00 1.00 C ATOM 94 NE ARG A 7 -20.433 1.763 -13.900 1.00 1.00 N ATOM 95 CZ ARG A 7 -21.390 0.879 -13.627 1.00 1.00 C ATOM 96 NH1 ARG A 7 -21.917 0.173 -14.595 1.00 1.00 N ATOM 97 NH2 ARG A 7 -21.788 0.706 -12.399 1.00 1.00 N ATOM 0 H ARG A 7 -15.550 1.105 -16.218 1.00 1.00 H new ATOM 0 HA ARG A 7 -17.380 2.765 -14.584 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -17.344 -0.296 -14.741 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -18.276 0.634 -13.584 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -18.593 0.945 -16.618 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -19.578 -0.144 -15.663 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -19.417 2.899 -15.346 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -20.785 1.990 -15.958 1.00 1.00 H new ATOM 0 HE ARG A 7 -20.033 2.319 -13.144 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -21.594 0.301 -15.554 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -22.651 -0.506 -14.390 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -21.366 1.248 -11.645 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -22.521 0.028 -12.191 1.00 1.00 H new ATOM 111 N ASP A 8 -15.960 2.470 -12.576 1.00 1.00 N ATOM 112 CA ASP A 8 -15.032 2.483 -11.456 1.00 1.00 C ATOM 113 C ASP A 8 -13.562 2.447 -11.923 1.00 1.00 C ATOM 114 O ASP A 8 -13.036 1.372 -12.209 1.00 1.00 O ATOM 115 CB ASP A 8 -15.325 1.294 -10.533 1.00 1.00 C ATOM 116 CG ASP A 8 -15.212 -0.020 -11.290 1.00 1.00 C ATOM 117 OD1 ASP A 8 -16.180 -0.398 -11.931 1.00 1.00 O ATOM 118 OD2 ASP A 8 -14.162 -0.636 -11.216 1.00 1.00 O ATOM 0 H ASP A 8 -16.749 3.107 -12.460 1.00 1.00 H new ATOM 0 HA ASP A 8 -15.175 3.417 -10.912 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -14.627 1.297 -9.696 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -16.326 1.392 -10.114 1.00 1.00 H new ATOM 123 N PRO A 9 -12.877 3.554 -12.014 1.00 1.00 N ATOM 124 CA PRO A 9 -11.450 3.580 -12.470 1.00 1.00 C ATOM 125 C PRO A 9 -10.553 2.618 -11.690 1.00 1.00 C ATOM 126 O PRO A 9 -10.675 2.462 -10.475 1.00 1.00 O ATOM 127 CB PRO A 9 -11.002 5.044 -12.226 1.00 1.00 C ATOM 128 CG PRO A 9 -12.263 5.855 -12.236 1.00 1.00 C ATOM 129 CD PRO A 9 -13.370 4.925 -11.712 1.00 1.00 C ATOM 0 HA PRO A 9 -11.368 3.261 -13.509 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -10.480 5.141 -11.274 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -10.314 5.379 -13.002 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -12.164 6.738 -11.604 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -12.493 6.207 -13.242 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -13.531 5.063 -10.643 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -14.321 5.123 -12.206 1.00 1.00 H new ATOM 137 N THR A 10 -9.630 1.972 -12.395 1.00 1.00 N ATOM 138 CA THR A 10 -8.684 1.032 -11.774 1.00 1.00 C ATOM 139 C THR A 10 -7.258 1.366 -12.193 1.00 1.00 C ATOM 140 O THR A 10 -6.852 1.139 -13.333 1.00 1.00 O ATOM 141 CB THR A 10 -9.016 -0.402 -12.192 1.00 1.00 C ATOM 142 OG1 THR A 10 -10.361 -0.688 -11.836 1.00 1.00 O ATOM 143 CG2 THR A 10 -8.077 -1.384 -11.475 1.00 1.00 C ATOM 0 H THR A 10 -9.511 2.079 -13.402 1.00 1.00 H new ATOM 0 HA THR A 10 -8.769 1.120 -10.691 1.00 1.00 H new ATOM 0 HB THR A 10 -8.887 -0.507 -13.269 1.00 1.00 H new ATOM 0 HG1 THR A 10 -10.582 -1.605 -12.102 1.00 1.00 H new ATOM 0 HG21 THR A 10 -8.318 -2.403 -11.776 1.00 1.00 H new ATOM 0 HG22 THR A 10 -7.044 -1.161 -11.743 1.00 1.00 H new ATOM 0 HG23 THR A 10 -8.202 -1.285 -10.397 1.00 1.00 H new ATOM 151 N LEU A 11 -6.486 1.908 -11.257 1.00 1.00 N ATOM 152 CA LEU A 11 -5.087 2.288 -11.521 1.00 1.00 C ATOM 153 C LEU A 11 -4.137 1.370 -10.770 1.00 1.00 C ATOM 154 O LEU A 11 -4.505 0.711 -9.798 1.00 1.00 O ATOM 155 CB LEU A 11 -4.863 3.743 -11.094 1.00 1.00 C ATOM 156 CG LEU A 11 -5.898 4.662 -11.783 1.00 1.00 C ATOM 157 CD1 LEU A 11 -5.740 6.090 -11.250 1.00 1.00 C ATOM 158 CD2 LEU A 11 -5.716 4.652 -13.325 1.00 1.00 C ATOM 0 H LEU A 11 -6.798 2.098 -10.305 1.00 1.00 H new ATOM 0 HA LEU A 11 -4.887 2.190 -12.588 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -4.951 3.830 -10.011 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -3.853 4.057 -11.358 1.00 1.00 H new ATOM 0 HG LEU A 11 -6.898 4.290 -11.559 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -6.468 6.741 -11.733 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -5.906 6.097 -10.173 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -4.733 6.449 -11.464 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -6.457 5.307 -13.783 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -4.716 5.005 -13.576 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -5.847 3.637 -13.700 1.00 1.00 H new ATOM 170 N THR A 12 -2.890 1.321 -11.228 1.00 1.00 N ATOM 171 CA THR A 12 -1.867 0.468 -10.603 1.00 1.00 C ATOM 172 C THR A 12 -0.703 1.310 -10.088 1.00 1.00 C ATOM 173 O THR A 12 -0.040 2.021 -10.842 1.00 1.00 O ATOM 174 CB THR A 12 -1.351 -0.551 -11.625 1.00 1.00 C ATOM 175 OG1 THR A 12 -2.448 -1.280 -12.164 1.00 1.00 O ATOM 176 CG2 THR A 12 -0.377 -1.526 -10.947 1.00 1.00 C ATOM 0 H THR A 12 -2.557 1.859 -12.028 1.00 1.00 H new ATOM 0 HA THR A 12 -2.319 -0.054 -9.760 1.00 1.00 H new ATOM 0 HB THR A 12 -0.832 -0.022 -12.425 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.118 -1.930 -12.819 1.00 1.00 H new ATOM 0 HG21 THR A 12 -0.015 -2.247 -11.680 1.00 1.00 H new ATOM 0 HG22 THR A 12 0.466 -0.971 -10.536 1.00 1.00 H new ATOM 0 HG23 THR A 12 -0.891 -2.053 -10.143 1.00 1.00 H new ATOM 184 N LEU A 13 -0.464 1.216 -8.784 1.00 1.00 N ATOM 185 CA LEU A 13 0.624 1.966 -8.138 1.00 1.00 C ATOM 186 C LEU A 13 1.546 1.009 -7.385 1.00 1.00 C ATOM 187 O LEU A 13 1.096 0.147 -6.628 1.00 1.00 O ATOM 188 CB LEU A 13 0.039 3.019 -7.156 1.00 1.00 C ATOM 189 CG LEU A 13 -1.240 2.466 -6.446 1.00 1.00 C ATOM 190 CD1 LEU A 13 -1.344 3.025 -5.014 1.00 1.00 C ATOM 191 CD2 LEU A 13 -2.512 2.874 -7.221 1.00 1.00 C ATOM 0 H LEU A 13 -1.005 0.630 -8.148 1.00 1.00 H new ATOM 0 HA LEU A 13 1.199 2.481 -8.907 1.00 1.00 H new ATOM 0 HB2 LEU A 13 0.789 3.283 -6.410 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -0.207 3.932 -7.699 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.159 1.379 -6.417 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -2.239 2.631 -4.534 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -0.465 2.728 -4.443 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -1.402 4.113 -5.051 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -3.391 2.480 -6.711 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -2.577 3.961 -7.268 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -2.467 2.470 -8.232 1.00 1.00 H new ATOM 203 N SER A 14 2.848 1.173 -7.587 1.00 1.00 N ATOM 204 CA SER A 14 3.827 0.332 -6.919 1.00 1.00 C ATOM 205 C SER A 14 3.782 0.578 -5.420 1.00 1.00 C ATOM 206 O SER A 14 3.286 1.606 -4.960 1.00 1.00 O ATOM 207 CB SER A 14 5.228 0.638 -7.444 1.00 1.00 C ATOM 208 OG SER A 14 5.220 0.586 -8.861 1.00 1.00 O ATOM 0 H SER A 14 3.247 1.879 -8.206 1.00 1.00 H new ATOM 0 HA SER A 14 3.589 -0.712 -7.122 1.00 1.00 H new ATOM 0 HB2 SER A 14 5.548 1.624 -7.107 1.00 1.00 H new ATOM 0 HB3 SER A 14 5.943 -0.082 -7.046 1.00 1.00 H new ATOM 0 HG SER A 14 6.118 0.784 -9.201 1.00 1.00 H new ATOM 214 N LEU A 15 4.299 -0.373 -4.648 1.00 1.00 N ATOM 215 CA LEU A 15 4.314 -0.263 -3.181 1.00 1.00 C ATOM 216 C LEU A 15 5.746 -0.138 -2.659 1.00 1.00 C ATOM 217 O LEU A 15 6.615 -0.954 -2.964 1.00 1.00 O ATOM 218 CB LEU A 15 3.647 -1.506 -2.574 1.00 1.00 C ATOM 219 CG LEU A 15 3.515 -1.373 -1.033 1.00 1.00 C ATOM 220 CD1 LEU A 15 2.554 -0.216 -0.643 1.00 1.00 C ATOM 221 CD2 LEU A 15 2.993 -2.700 -0.460 1.00 1.00 C ATOM 0 H LEU A 15 4.715 -1.232 -5.008 1.00 1.00 H new ATOM 0 HA LEU A 15 3.765 0.633 -2.890 1.00 1.00 H new ATOM 0 HB2 LEU A 15 2.660 -1.646 -3.016 1.00 1.00 H new ATOM 0 HB3 LEU A 15 4.233 -2.392 -2.817 1.00 1.00 H new ATOM 0 HG LEU A 15 4.496 -1.143 -0.618 1.00 1.00 H new ATOM 0 HD11 LEU A 15 2.485 -0.151 0.443 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.937 0.724 -1.039 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.565 -0.409 -1.059 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.897 -2.616 0.623 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.019 -2.926 -0.894 1.00 1.00 H new ATOM 0 HD23 LEU A 15 3.692 -3.501 -0.701 1.00 1.00 H new ATOM 233 N ILE A 16 5.989 0.895 -1.858 1.00 1.00 N ATOM 234 CA ILE A 16 7.319 1.146 -1.270 1.00 1.00 C ATOM 235 C ILE A 16 7.267 1.070 0.257 1.00 1.00 C ATOM 236 O ILE A 16 6.219 0.828 0.858 1.00 1.00 O ATOM 237 CB ILE A 16 7.839 2.520 -1.717 1.00 1.00 C ATOM 238 CG1 ILE A 16 6.875 3.642 -1.281 1.00 1.00 C ATOM 239 CG2 ILE A 16 7.975 2.527 -3.247 1.00 1.00 C ATOM 240 CD1 ILE A 16 7.507 5.003 -1.589 1.00 1.00 C ATOM 0 H ILE A 16 5.282 1.582 -1.594 1.00 1.00 H new ATOM 0 HA ILE A 16 8.002 0.373 -1.623 1.00 1.00 H new ATOM 0 HB ILE A 16 8.807 2.700 -1.250 1.00 1.00 H new ATOM 0 HG12 ILE A 16 5.924 3.543 -1.804 1.00 1.00 H new ATOM 0 HG13 ILE A 16 6.662 3.560 -0.215 1.00 1.00 H new ATOM 0 HG21 ILE A 16 8.344 3.499 -3.575 1.00 1.00 H new ATOM 0 HG22 ILE A 16 8.676 1.751 -3.554 1.00 1.00 H new ATOM 0 HG23 ILE A 16 7.002 2.337 -3.700 1.00 1.00 H new ATOM 0 HD11 ILE A 16 6.827 5.798 -1.282 1.00 1.00 H new ATOM 0 HD12 ILE A 16 8.447 5.099 -1.046 1.00 1.00 H new ATOM 0 HD13 ILE A 16 7.697 5.082 -2.659 1.00 1.00 H new ATOM 252 N ALA A 17 8.412 1.275 0.899 1.00 1.00 N ATOM 253 CA ALA A 17 8.501 1.221 2.374 1.00 1.00 C ATOM 254 C ALA A 17 8.757 2.607 2.963 1.00 1.00 C ATOM 255 O ALA A 17 9.802 3.215 2.735 1.00 1.00 O ATOM 256 CB ALA A 17 9.634 0.281 2.780 1.00 1.00 C ATOM 0 H ALA A 17 9.296 1.480 0.433 1.00 1.00 H new ATOM 0 HA ALA A 17 7.551 0.854 2.761 1.00 1.00 H new ATOM 0 HB1 ALA A 17 9.701 0.240 3.867 1.00 1.00 H new ATOM 0 HB2 ALA A 17 9.435 -0.718 2.391 1.00 1.00 H new ATOM 0 HB3 ALA A 17 10.576 0.649 2.372 1.00 1.00 H new ATOM 262 N LYS A 18 7.793 3.108 3.728 1.00 1.00 N ATOM 263 CA LYS A 18 7.908 4.440 4.359 1.00 1.00 C ATOM 264 C LYS A 18 7.988 4.303 5.869 1.00 1.00 C ATOM 265 O LYS A 18 7.710 3.238 6.422 1.00 1.00 O ATOM 266 CB LYS A 18 6.698 5.312 3.959 1.00 1.00 C ATOM 267 CG LYS A 18 7.010 6.807 4.170 1.00 1.00 C ATOM 268 CD LYS A 18 5.866 7.655 3.622 1.00 1.00 C ATOM 269 CE LYS A 18 6.221 9.136 3.759 1.00 1.00 C ATOM 270 NZ LYS A 18 5.144 9.953 3.141 1.00 1.00 N ATOM 0 H LYS A 18 6.920 2.621 3.933 1.00 1.00 H new ATOM 0 HA LYS A 18 8.821 4.922 4.010 1.00 1.00 H new ATOM 0 HB2 LYS A 18 6.444 5.132 2.914 1.00 1.00 H new ATOM 0 HB3 LYS A 18 5.828 5.030 4.552 1.00 1.00 H new ATOM 0 HG2 LYS A 18 7.151 7.012 5.231 1.00 1.00 H new ATOM 0 HG3 LYS A 18 7.942 7.068 3.668 1.00 1.00 H new ATOM 0 HD2 LYS A 18 5.685 7.408 2.576 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.946 7.439 4.165 1.00 1.00 H new ATOM 0 HE2 LYS A 18 6.337 9.399 4.810 1.00 1.00 H new ATOM 0 HE3 LYS A 18 7.175 9.341 3.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 5.379 10.962 3.231 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 5.055 9.706 2.135 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 4.243 9.763 3.625 1.00 1.00 H new ATOM 284 N ASN A 19 8.374 5.378 6.547 1.00 1.00 N ATOM 285 CA ASN A 19 8.497 5.372 7.997 1.00 1.00 C ATOM 286 C ASN A 19 9.297 4.151 8.449 1.00 1.00 C ATOM 287 O ASN A 19 9.130 3.665 9.568 1.00 1.00 O ATOM 288 CB ASN A 19 7.095 5.346 8.633 1.00 1.00 C ATOM 289 CG ASN A 19 6.395 6.688 8.415 1.00 1.00 C ATOM 290 OD1 ASN A 19 6.847 7.496 7.602 1.00 1.00 O ATOM 291 ND2 ASN A 19 5.320 6.976 9.098 1.00 1.00 N ATOM 0 H ASN A 19 8.608 6.270 6.111 1.00 1.00 H new ATOM 0 HA ASN A 19 9.020 6.273 8.316 1.00 1.00 H new ATOM 0 HB2 ASN A 19 6.503 4.543 8.195 1.00 1.00 H new ATOM 0 HB3 ASN A 19 7.175 5.138 9.700 1.00 1.00 H new ATOM 0 HD21 ASN A 19 4.852 7.872 8.959 1.00 1.00 H new ATOM 0 HD22 ASN A 19 4.948 6.305 9.770 1.00 1.00 H new ATOM 298 N THR A 20 10.169 3.656 7.576 1.00 1.00 N ATOM 299 CA THR A 20 10.972 2.482 7.884 1.00 1.00 C ATOM 300 C THR A 20 11.942 2.731 9.063 1.00 1.00 C ATOM 301 O THR A 20 12.675 3.721 9.036 1.00 1.00 O ATOM 302 CB THR A 20 11.782 2.066 6.644 1.00 1.00 C ATOM 303 OG1 THR A 20 10.915 2.014 5.521 1.00 1.00 O ATOM 304 CG2 THR A 20 12.414 0.679 6.863 1.00 1.00 C ATOM 0 H THR A 20 10.336 4.051 6.650 1.00 1.00 H new ATOM 0 HA THR A 20 10.286 1.687 8.175 1.00 1.00 H new ATOM 0 HB THR A 20 12.575 2.794 6.472 1.00 1.00 H new ATOM 0 HG1 THR A 20 11.425 1.751 4.726 1.00 1.00 H new ATOM 0 HG21 THR A 20 12.985 0.395 5.979 1.00 1.00 H new ATOM 0 HG22 THR A 20 13.077 0.714 7.727 1.00 1.00 H new ATOM 0 HG23 THR A 20 11.628 -0.055 7.038 1.00 1.00 H new ATOM 312 N PRO A 21 11.979 1.883 10.054 1.00 1.00 N ATOM 313 CA PRO A 21 12.913 2.064 11.213 1.00 1.00 C ATOM 314 C PRO A 21 14.373 1.896 10.786 1.00 1.00 C ATOM 315 O PRO A 21 14.707 1.028 9.980 1.00 1.00 O ATOM 316 CB PRO A 21 12.476 0.973 12.234 1.00 1.00 C ATOM 317 CG PRO A 21 11.774 -0.077 11.414 1.00 1.00 C ATOM 318 CD PRO A 21 11.161 0.654 10.207 1.00 1.00 C ATOM 0 HA PRO A 21 12.859 3.066 11.639 1.00 1.00 H new ATOM 0 HB2 PRO A 21 13.337 0.555 12.756 1.00 1.00 H new ATOM 0 HB3 PRO A 21 11.813 1.388 12.994 1.00 1.00 H new ATOM 0 HG2 PRO A 21 12.473 -0.847 11.088 1.00 1.00 H new ATOM 0 HG3 PRO A 21 11.002 -0.575 12.000 1.00 1.00 H new ATOM 0 HD2 PRO A 21 11.201 0.038 9.309 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.113 0.896 10.381 1.00 1.00 H new ATOM 326 N ALA A 22 15.258 2.717 11.343 1.00 1.00 N ATOM 327 CA ALA A 22 16.682 2.664 11.032 1.00 1.00 C ATOM 328 C ALA A 22 17.297 1.340 11.480 1.00 1.00 C ATOM 329 O ALA A 22 16.875 0.719 12.456 1.00 1.00 O ATOM 330 CB ALA A 22 17.405 3.820 11.728 1.00 1.00 C ATOM 0 H ALA A 22 15.009 3.437 12.022 1.00 1.00 H new ATOM 0 HA ALA A 22 16.796 2.749 9.951 1.00 1.00 H new ATOM 0 HB1 ALA A 22 18.469 3.778 11.494 1.00 1.00 H new ATOM 0 HB2 ALA A 22 16.994 4.768 11.380 1.00 1.00 H new ATOM 0 HB3 ALA A 22 17.267 3.739 12.806 1.00 1.00 H new ATOM 336 N ASN A 23 18.316 0.897 10.750 1.00 1.00 N ATOM 337 CA ASN A 23 19.017 -0.360 11.062 1.00 1.00 C ATOM 338 C ASN A 23 18.174 -1.573 10.675 1.00 1.00 C ATOM 339 O ASN A 23 18.533 -2.715 10.963 1.00 1.00 O ATOM 340 CB ASN A 23 19.374 -0.435 12.569 1.00 1.00 C ATOM 341 CG ASN A 23 19.804 0.936 13.069 1.00 1.00 C ATOM 342 OD1 ASN A 23 20.550 1.637 12.389 1.00 1.00 O ATOM 343 ND2 ASN A 23 19.368 1.363 14.222 1.00 1.00 N ATOM 0 H ASN A 23 18.682 1.387 9.933 1.00 1.00 H new ATOM 0 HA ASN A 23 19.937 -0.372 10.478 1.00 1.00 H new ATOM 0 HB2 ASN A 23 18.513 -0.786 13.138 1.00 1.00 H new ATOM 0 HB3 ASN A 23 20.176 -1.157 12.726 1.00 1.00 H new ATOM 0 HD21 ASN A 23 19.646 2.283 14.563 1.00 1.00 H new ATOM 0 HD22 ASN A 23 18.749 0.777 14.782 1.00 1.00 H new ATOM 350 N SER A 24 17.042 -1.327 10.022 1.00 1.00 N ATOM 351 CA SER A 24 16.135 -2.404 9.596 1.00 1.00 C ATOM 352 C SER A 24 16.094 -2.505 8.082 1.00 1.00 C ATOM 353 O SER A 24 16.205 -1.513 7.363 1.00 1.00 O ATOM 354 CB SER A 24 14.721 -2.136 10.134 1.00 1.00 C ATOM 355 OG SER A 24 14.048 -1.234 9.265 1.00 1.00 O ATOM 0 H SER A 24 16.725 -0.390 9.773 1.00 1.00 H new ATOM 0 HA SER A 24 16.506 -3.347 9.997 1.00 1.00 H new ATOM 0 HB2 SER A 24 14.165 -3.071 10.208 1.00 1.00 H new ATOM 0 HB3 SER A 24 14.776 -1.718 11.139 1.00 1.00 H new ATOM 0 HG SER A 24 14.252 -0.312 9.529 1.00 1.00 H new ATOM 361 N MET A 25 15.935 -3.728 7.588 1.00 1.00 N ATOM 362 CA MET A 25 15.883 -3.975 6.143 1.00 1.00 C ATOM 363 C MET A 25 14.868 -5.067 5.834 1.00 1.00 C ATOM 364 O MET A 25 14.756 -6.062 6.549 1.00 1.00 O ATOM 365 CB MET A 25 17.269 -4.382 5.632 1.00 1.00 C ATOM 366 CG MET A 25 17.755 -5.634 6.371 1.00 1.00 C ATOM 367 SD MET A 25 19.468 -6.000 5.899 1.00 1.00 S ATOM 368 CE MET A 25 19.151 -6.747 4.277 1.00 1.00 C ATOM 0 H MET A 25 15.840 -4.566 8.162 1.00 1.00 H new ATOM 0 HA MET A 25 15.576 -3.059 5.638 1.00 1.00 H new ATOM 0 HB2 MET A 25 17.228 -4.576 4.560 1.00 1.00 H new ATOM 0 HB3 MET A 25 17.975 -3.565 5.781 1.00 1.00 H new ATOM 0 HG2 MET A 25 17.690 -5.480 7.448 1.00 1.00 H new ATOM 0 HG3 MET A 25 17.113 -6.481 6.131 1.00 1.00 H new ATOM 0 HE1 MET A 25 19.477 -7.787 4.285 1.00 1.00 H new ATOM 0 HE2 MET A 25 18.084 -6.703 4.059 1.00 1.00 H new ATOM 0 HE3 MET A 25 19.701 -6.200 3.511 1.00 1.00 H new ATOM 378 N ILE A 26 14.116 -4.877 4.753 1.00 1.00 N ATOM 379 CA ILE A 26 13.091 -5.842 4.349 1.00 1.00 C ATOM 380 C ILE A 26 13.678 -6.915 3.442 1.00 1.00 C ATOM 381 O ILE A 26 14.577 -6.663 2.640 1.00 1.00 O ATOM 382 CB ILE A 26 11.949 -5.120 3.616 1.00 1.00 C ATOM 383 CG1 ILE A 26 11.361 -4.028 4.535 1.00 1.00 C ATOM 384 CG2 ILE A 26 10.843 -6.139 3.254 1.00 1.00 C ATOM 385 CD1 ILE A 26 10.375 -3.162 3.746 1.00 1.00 C ATOM 0 H ILE A 26 14.195 -4.065 4.140 1.00 1.00 H new ATOM 0 HA ILE A 26 12.704 -6.321 5.249 1.00 1.00 H new ATOM 0 HB ILE A 26 12.333 -4.662 2.704 1.00 1.00 H new ATOM 0 HG12 ILE A 26 10.856 -4.488 5.385 1.00 1.00 H new ATOM 0 HG13 ILE A 26 12.162 -3.408 4.937 1.00 1.00 H new ATOM 0 HG21 ILE A 26 10.033 -5.627 2.734 1.00 1.00 H new ATOM 0 HG22 ILE A 26 11.258 -6.912 2.607 1.00 1.00 H new ATOM 0 HG23 ILE A 26 10.458 -6.597 4.165 1.00 1.00 H new ATOM 0 HD11 ILE A 26 9.963 -2.393 4.399 1.00 1.00 H new ATOM 0 HD12 ILE A 26 10.893 -2.690 2.911 1.00 1.00 H new ATOM 0 HD13 ILE A 26 9.567 -3.786 3.365 1.00 1.00 H new ATOM 397 N MET A 27 13.155 -8.129 3.570 1.00 1.00 N ATOM 398 CA MET A 27 13.607 -9.271 2.753 1.00 1.00 C ATOM 399 C MET A 27 12.490 -9.686 1.792 1.00 1.00 C ATOM 400 O MET A 27 12.742 -10.286 0.747 1.00 1.00 O ATOM 401 CB MET A 27 13.994 -10.445 3.661 1.00 1.00 C ATOM 402 CG MET A 27 14.691 -11.530 2.832 1.00 1.00 C ATOM 403 SD MET A 27 15.171 -12.904 3.905 1.00 1.00 S ATOM 404 CE MET A 27 16.249 -13.747 2.720 1.00 1.00 C ATOM 0 H MET A 27 12.414 -8.358 4.232 1.00 1.00 H new ATOM 0 HA MET A 27 14.483 -8.978 2.174 1.00 1.00 H new ATOM 0 HB2 MET A 27 14.655 -10.100 4.456 1.00 1.00 H new ATOM 0 HB3 MET A 27 13.105 -10.855 4.141 1.00 1.00 H new ATOM 0 HG2 MET A 27 14.024 -11.885 2.046 1.00 1.00 H new ATOM 0 HG3 MET A 27 15.571 -11.116 2.340 1.00 1.00 H new ATOM 0 HE1 MET A 27 16.664 -14.644 3.180 1.00 1.00 H new ATOM 0 HE2 MET A 27 15.673 -14.025 1.838 1.00 1.00 H new ATOM 0 HE3 MET A 27 17.060 -13.080 2.428 1.00 1.00 H new ATOM 414 N THR A 28 11.252 -9.358 2.140 1.00 1.00 N ATOM 415 CA THR A 28 10.093 -9.683 1.301 1.00 1.00 C ATOM 416 C THR A 28 9.873 -8.564 0.295 1.00 1.00 C ATOM 417 O THR A 28 9.679 -7.404 0.656 1.00 1.00 O ATOM 418 CB THR A 28 8.837 -9.838 2.172 1.00 1.00 C ATOM 419 OG1 THR A 28 8.726 -8.713 3.029 1.00 1.00 O ATOM 420 CG2 THR A 28 8.934 -11.114 3.012 1.00 1.00 C ATOM 0 H THR A 28 11.019 -8.864 3.001 1.00 1.00 H new ATOM 0 HA THR A 28 10.282 -10.621 0.778 1.00 1.00 H new ATOM 0 HB THR A 28 7.958 -9.904 1.531 1.00 1.00 H new ATOM 0 HG1 THR A 28 9.001 -7.906 2.546 1.00 1.00 H new ATOM 0 HG21 THR A 28 8.039 -11.214 3.626 1.00 1.00 H new ATOM 0 HG22 THR A 28 9.021 -11.978 2.353 1.00 1.00 H new ATOM 0 HG23 THR A 28 9.811 -11.060 3.656 1.00 1.00 H new ATOM 428 N LYS A 29 9.896 -8.891 -0.993 1.00 1.00 N ATOM 429 CA LYS A 29 9.704 -7.890 -2.031 1.00 1.00 C ATOM 430 C LYS A 29 8.310 -7.283 -1.948 1.00 1.00 C ATOM 431 O LYS A 29 7.334 -7.978 -1.664 1.00 1.00 O ATOM 432 CB LYS A 29 9.929 -8.521 -3.414 1.00 1.00 C ATOM 433 CG LYS A 29 10.159 -7.407 -4.482 1.00 1.00 C ATOM 434 CD LYS A 29 11.663 -6.985 -4.522 1.00 1.00 C ATOM 435 CE LYS A 29 12.443 -7.893 -5.479 1.00 1.00 C ATOM 436 NZ LYS A 29 13.871 -7.489 -5.479 1.00 1.00 N ATOM 0 H LYS A 29 10.045 -9.838 -1.340 1.00 1.00 H new ATOM 0 HA LYS A 29 10.431 -7.092 -1.881 1.00 1.00 H new ATOM 0 HB2 LYS A 29 10.791 -9.188 -3.382 1.00 1.00 H new ATOM 0 HB3 LYS A 29 9.066 -9.127 -3.690 1.00 1.00 H new ATOM 0 HG2 LYS A 29 9.851 -7.767 -5.463 1.00 1.00 H new ATOM 0 HG3 LYS A 29 9.539 -6.541 -4.251 1.00 1.00 H new ATOM 0 HD2 LYS A 29 11.748 -5.947 -4.843 1.00 1.00 H new ATOM 0 HD3 LYS A 29 12.092 -7.045 -3.522 1.00 1.00 H new ATOM 0 HE2 LYS A 29 12.347 -8.934 -5.171 1.00 1.00 H new ATOM 0 HE3 LYS A 29 12.032 -7.819 -6.486 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 14.405 -8.102 -6.127 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 13.952 -6.500 -5.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 14.258 -7.581 -4.518 1.00 1.00 H new ATOM 450 N LEU A 30 8.218 -5.980 -2.188 1.00 1.00 N ATOM 451 CA LEU A 30 6.940 -5.273 -2.117 1.00 1.00 C ATOM 452 C LEU A 30 6.103 -5.439 -3.416 1.00 1.00 C ATOM 453 O LEU A 30 6.541 -4.998 -4.477 1.00 1.00 O ATOM 454 CB LEU A 30 7.220 -3.782 -1.849 1.00 1.00 C ATOM 455 CG LEU A 30 7.442 -3.552 -0.344 1.00 1.00 C ATOM 456 CD1 LEU A 30 8.598 -4.429 0.170 1.00 1.00 C ATOM 457 CD2 LEU A 30 7.757 -2.085 -0.112 1.00 1.00 C ATOM 0 H LEU A 30 9.012 -5.389 -2.434 1.00 1.00 H new ATOM 0 HA LEU A 30 6.351 -5.703 -1.307 1.00 1.00 H new ATOM 0 HB2 LEU A 30 8.099 -3.462 -2.408 1.00 1.00 H new ATOM 0 HB3 LEU A 30 6.383 -3.178 -2.198 1.00 1.00 H new ATOM 0 HG LEU A 30 6.539 -3.826 0.201 1.00 1.00 H new ATOM 0 HD11 LEU A 30 8.741 -4.254 1.236 1.00 1.00 H new ATOM 0 HD12 LEU A 30 8.359 -5.480 0.004 1.00 1.00 H new ATOM 0 HD13 LEU A 30 9.513 -4.176 -0.366 1.00 1.00 H new ATOM 0 HD21 LEU A 30 7.916 -1.911 0.952 1.00 1.00 H new ATOM 0 HD22 LEU A 30 8.658 -1.815 -0.663 1.00 1.00 H new ATOM 0 HD23 LEU A 30 6.923 -1.475 -0.459 1.00 1.00 H new ATOM 469 N PRO A 31 4.941 -6.027 -3.336 1.00 1.00 N ATOM 470 CA PRO A 31 4.055 -6.223 -4.532 1.00 1.00 C ATOM 471 C PRO A 31 3.153 -5.010 -4.810 1.00 1.00 C ATOM 472 O PRO A 31 2.935 -4.147 -3.959 1.00 1.00 O ATOM 473 CB PRO A 31 3.232 -7.458 -4.129 1.00 1.00 C ATOM 474 CG PRO A 31 3.022 -7.286 -2.651 1.00 1.00 C ATOM 475 CD PRO A 31 4.295 -6.593 -2.121 1.00 1.00 C ATOM 0 HA PRO A 31 4.616 -6.346 -5.458 1.00 1.00 H new ATOM 0 HB2 PRO A 31 2.284 -7.499 -4.665 1.00 1.00 H new ATOM 0 HB3 PRO A 31 3.764 -8.383 -4.352 1.00 1.00 H new ATOM 0 HG2 PRO A 31 2.136 -6.683 -2.450 1.00 1.00 H new ATOM 0 HG3 PRO A 31 2.870 -8.249 -2.163 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.052 -5.812 -1.400 1.00 1.00 H new ATOM 0 HD3 PRO A 31 4.951 -7.301 -1.615 1.00 1.00 H new ATOM 483 N SER A 32 2.609 -4.946 -6.021 1.00 1.00 N ATOM 484 CA SER A 32 1.726 -3.847 -6.421 1.00 1.00 C ATOM 485 C SER A 32 0.381 -3.927 -5.701 1.00 1.00 C ATOM 486 O SER A 32 0.064 -4.935 -5.069 1.00 1.00 O ATOM 487 CB SER A 32 1.488 -3.906 -7.929 1.00 1.00 C ATOM 488 OG SER A 32 2.731 -3.776 -8.608 1.00 1.00 O ATOM 0 H SER A 32 2.763 -5.644 -6.748 1.00 1.00 H new ATOM 0 HA SER A 32 2.210 -2.909 -6.150 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.012 -4.849 -8.197 1.00 1.00 H new ATOM 0 HB3 SER A 32 0.810 -3.109 -8.233 1.00 1.00 H new ATOM 0 HG SER A 32 2.581 -3.815 -9.576 1.00 1.00 H new ATOM 494 N VAL A 33 -0.408 -2.862 -5.802 1.00 1.00 N ATOM 495 CA VAL A 33 -1.738 -2.809 -5.159 1.00 1.00 C ATOM 496 C VAL A 33 -2.781 -2.206 -6.100 1.00 1.00 C ATOM 497 O VAL A 33 -2.521 -1.233 -6.807 1.00 1.00 O ATOM 498 CB VAL A 33 -1.663 -1.971 -3.870 1.00 1.00 C ATOM 499 CG1 VAL A 33 -1.241 -0.533 -4.206 1.00 1.00 C ATOM 500 CG2 VAL A 33 -3.039 -1.951 -3.177 1.00 1.00 C ATOM 0 H VAL A 33 -0.159 -2.019 -6.320 1.00 1.00 H new ATOM 0 HA VAL A 33 -2.039 -3.829 -4.918 1.00 1.00 H new ATOM 0 HB VAL A 33 -0.927 -2.418 -3.201 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -1.190 0.055 -3.289 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -0.262 -0.544 -4.685 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -1.971 -0.088 -4.882 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -2.979 -1.356 -2.266 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -3.778 -1.513 -3.848 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -3.335 -2.970 -2.927 1.00 1.00 H new ATOM 510 N ARG A 34 -3.975 -2.790 -6.102 1.00 1.00 N ATOM 511 CA ARG A 34 -5.082 -2.307 -6.951 1.00 1.00 C ATOM 512 C ARG A 34 -6.057 -1.513 -6.095 1.00 1.00 C ATOM 513 O ARG A 34 -6.572 -2.001 -5.089 1.00 1.00 O ATOM 514 CB ARG A 34 -5.800 -3.516 -7.602 1.00 1.00 C ATOM 515 CG ARG A 34 -5.158 -3.886 -8.946 1.00 1.00 C ATOM 516 CD ARG A 34 -3.701 -4.296 -8.731 1.00 1.00 C ATOM 517 NE ARG A 34 -3.144 -4.803 -9.978 1.00 1.00 N ATOM 518 CZ ARG A 34 -3.409 -6.038 -10.402 1.00 1.00 C ATOM 519 NH1 ARG A 34 -4.172 -6.825 -9.687 1.00 1.00 N ATOM 520 NH2 ARG A 34 -2.908 -6.460 -11.526 1.00 1.00 N ATOM 0 H ARG A 34 -4.211 -3.600 -5.528 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.692 -1.664 -7.740 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -5.759 -4.372 -6.929 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -6.853 -3.279 -7.752 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -5.710 -4.703 -9.410 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -5.209 -3.038 -9.629 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -3.120 -3.442 -8.383 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -3.639 -5.060 -7.956 1.00 1.00 H new ATOM 0 HE ARG A 34 -2.540 -4.201 -10.537 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -4.563 -6.493 -8.806 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -4.375 -7.771 -10.011 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -2.313 -5.846 -12.082 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -3.110 -7.405 -11.852 1.00 1.00 H new ATOM 534 N VAL A 35 -6.314 -0.271 -6.496 1.00 1.00 N ATOM 535 CA VAL A 35 -7.231 0.600 -5.750 1.00 1.00 C ATOM 536 C VAL A 35 -8.406 1.041 -6.624 1.00 1.00 C ATOM 537 O VAL A 35 -8.239 1.604 -7.706 1.00 1.00 O ATOM 538 CB VAL A 35 -6.464 1.834 -5.245 1.00 1.00 C ATOM 539 CG1 VAL A 35 -7.321 2.588 -4.231 1.00 1.00 C ATOM 540 CG2 VAL A 35 -5.161 1.391 -4.575 1.00 1.00 C ATOM 0 H VAL A 35 -5.906 0.157 -7.327 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.630 0.040 -4.904 1.00 1.00 H new ATOM 0 HB VAL A 35 -6.236 2.486 -6.088 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -6.777 3.462 -3.873 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.249 2.907 -4.705 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -7.549 1.934 -3.390 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.619 2.267 -4.218 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.389 0.737 -3.733 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.546 0.853 -5.296 1.00 1.00 H new ATOM 550 N LYS A 36 -9.615 0.793 -6.128 1.00 1.00 N ATOM 551 CA LYS A 36 -10.839 1.167 -6.851 1.00 1.00 C ATOM 552 C LYS A 36 -11.394 2.485 -6.308 1.00 1.00 C ATOM 553 O LYS A 36 -11.276 2.785 -5.120 1.00 1.00 O ATOM 554 CB LYS A 36 -11.878 0.052 -6.692 1.00 1.00 C ATOM 555 CG LYS A 36 -11.397 -1.218 -7.396 1.00 1.00 C ATOM 556 CD LYS A 36 -12.442 -2.319 -7.206 1.00 1.00 C ATOM 557 CE LYS A 36 -11.964 -3.600 -7.882 1.00 1.00 C ATOM 558 NZ LYS A 36 -12.959 -4.685 -7.650 1.00 1.00 N ATOM 0 H LYS A 36 -9.779 0.336 -5.231 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.608 1.301 -7.908 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -12.047 -0.151 -5.634 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -12.832 0.371 -7.112 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -11.243 -1.025 -8.458 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -10.438 -1.535 -6.987 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -12.609 -2.497 -6.144 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -13.396 -2.006 -7.630 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -11.835 -3.433 -8.951 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -10.992 -3.892 -7.485 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -12.634 -5.559 -8.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -13.061 -4.850 -6.628 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -13.878 -4.405 -8.049 1.00 1.00 H new ATOM 572 N THR A 37 -12.006 3.273 -7.187 1.00 1.00 N ATOM 573 CA THR A 37 -12.585 4.577 -6.795 1.00 1.00 C ATOM 574 C THR A 37 -14.029 4.714 -7.272 1.00 1.00 C ATOM 575 O THR A 37 -14.338 4.459 -8.435 1.00 1.00 O ATOM 576 CB THR A 37 -11.765 5.716 -7.400 1.00 1.00 C ATOM 577 OG1 THR A 37 -11.771 5.603 -8.815 1.00 1.00 O ATOM 578 CG2 THR A 37 -10.327 5.660 -6.880 1.00 1.00 C ATOM 0 H THR A 37 -12.119 3.043 -8.174 1.00 1.00 H new ATOM 0 HA THR A 37 -12.565 4.629 -5.706 1.00 1.00 H new ATOM 0 HB THR A 37 -12.207 6.670 -7.111 1.00 1.00 H new ATOM 0 HG1 THR A 37 -11.697 6.495 -9.215 1.00 1.00 H new ATOM 0 HG21 THR A 37 -9.750 6.475 -7.317 1.00 1.00 H new ATOM 0 HG22 THR A 37 -10.329 5.757 -5.794 1.00 1.00 H new ATOM 0 HG23 THR A 37 -9.876 4.707 -7.158 1.00 1.00 H new ATOM 586 N GLU A 38 -14.913 5.125 -6.368 1.00 1.00 N ATOM 587 CA GLU A 38 -16.322 5.299 -6.709 1.00 1.00 C ATOM 588 C GLU A 38 -16.459 6.209 -7.915 1.00 1.00 C ATOM 589 O GLU A 38 -16.777 5.773 -9.023 1.00 1.00 O ATOM 590 CB GLU A 38 -17.084 5.893 -5.514 1.00 1.00 C ATOM 591 CG GLU A 38 -18.593 5.893 -5.799 1.00 1.00 C ATOM 592 CD GLU A 38 -19.359 6.446 -4.598 1.00 1.00 C ATOM 593 OE1 GLU A 38 -18.775 6.538 -3.531 1.00 1.00 O ATOM 594 OE2 GLU A 38 -20.525 6.772 -4.766 1.00 1.00 O ATOM 0 H GLU A 38 -14.681 5.343 -5.399 1.00 1.00 H new ATOM 0 HA GLU A 38 -16.747 4.325 -6.952 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -16.876 5.313 -4.615 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -16.742 6.910 -5.324 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -18.803 6.496 -6.682 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -18.929 4.879 -6.018 1.00 1.00 H new ATOM 601 N GLY A 39 -16.210 7.497 -7.705 1.00 1.00 N ATOM 602 CA GLY A 39 -16.297 8.485 -8.771 1.00 1.00 C ATOM 603 C GLY A 39 -15.413 8.096 -9.950 1.00 1.00 C ATOM 604 O GLY A 39 -14.862 6.996 -9.993 1.00 1.00 O ATOM 0 H GLY A 39 -15.944 7.882 -6.799 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -17.331 8.577 -9.102 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -15.995 9.461 -8.392 1.00 1.00 H new ATOM 608 N TYR A 40 -15.284 9.005 -10.911 1.00 1.00 N ATOM 609 CA TYR A 40 -14.468 8.769 -12.115 1.00 1.00 C ATOM 610 C TYR A 40 -13.167 9.565 -12.057 1.00 1.00 C ATOM 611 O TYR A 40 -12.926 10.344 -11.133 1.00 1.00 O ATOM 612 CB TYR A 40 -15.262 9.168 -13.363 1.00 1.00 C ATOM 613 CG TYR A 40 -16.450 8.234 -13.524 1.00 1.00 C ATOM 614 CD1 TYR A 40 -16.297 7.017 -14.206 1.00 1.00 C ATOM 615 CD2 TYR A 40 -17.698 8.576 -12.984 1.00 1.00 C ATOM 616 CE1 TYR A 40 -17.387 6.151 -14.351 1.00 1.00 C ATOM 617 CE2 TYR A 40 -18.786 7.709 -13.128 1.00 1.00 C ATOM 618 CZ TYR A 40 -18.631 6.498 -13.812 1.00 1.00 C ATOM 619 OH TYR A 40 -19.705 5.644 -13.956 1.00 1.00 O ATOM 0 H TYR A 40 -15.734 9.920 -10.886 1.00 1.00 H new ATOM 0 HA TYR A 40 -14.221 7.708 -12.161 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -15.605 10.199 -13.275 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -14.624 9.118 -14.245 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -15.336 6.748 -14.620 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -17.819 9.510 -12.456 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -17.268 5.216 -14.878 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -19.746 7.974 -12.711 1.00 1.00 H new ATOM 0 HH TYR A 40 -20.493 6.034 -13.523 1.00 1.00 H new ATOM 629 N ASN A 41 -12.314 9.362 -13.054 1.00 1.00 N ATOM 630 CA ASN A 41 -11.018 10.056 -13.126 1.00 1.00 C ATOM 631 C ASN A 41 -10.749 10.551 -14.550 1.00 1.00 C ATOM 632 O ASN A 41 -9.914 9.987 -15.258 1.00 1.00 O ATOM 633 CB ASN A 41 -9.908 9.100 -12.692 1.00 1.00 C ATOM 634 CG ASN A 41 -10.134 8.665 -11.245 1.00 1.00 C ATOM 635 OD1 ASN A 41 -10.639 9.443 -10.436 1.00 1.00 O ATOM 636 ND2 ASN A 41 -9.787 7.464 -10.870 1.00 1.00 N ATOM 0 H ASN A 41 -12.490 8.723 -13.829 1.00 1.00 H new ATOM 0 HA ASN A 41 -11.042 10.919 -12.461 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -9.891 8.227 -13.345 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.938 9.588 -12.787 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -9.934 7.169 -9.905 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -9.369 6.821 -11.542 1.00 1.00 H new ATOM 643 N PRO A 42 -11.412 11.588 -14.977 1.00 1.00 N ATOM 644 CA PRO A 42 -11.215 12.154 -16.350 1.00 1.00 C ATOM 645 C PRO A 42 -9.737 12.432 -16.647 1.00 1.00 C ATOM 646 O PRO A 42 -9.263 12.231 -17.766 1.00 1.00 O ATOM 647 CB PRO A 42 -12.045 13.465 -16.330 1.00 1.00 C ATOM 648 CG PRO A 42 -13.100 13.233 -15.286 1.00 1.00 C ATOM 649 CD PRO A 42 -12.437 12.345 -14.220 1.00 1.00 C ATOM 0 HA PRO A 42 -11.532 11.464 -17.132 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -11.422 14.324 -16.080 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -12.490 13.667 -17.304 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -13.440 14.175 -14.856 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -13.975 12.744 -15.715 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -11.988 12.941 -13.426 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -13.160 11.679 -13.749 1.00 1.00 H new ATOM 657 N SER A 43 -9.009 12.898 -15.637 1.00 1.00 N ATOM 658 CA SER A 43 -7.581 13.210 -15.792 1.00 1.00 C ATOM 659 C SER A 43 -6.818 12.923 -14.498 1.00 1.00 C ATOM 660 O SER A 43 -6.441 11.782 -14.231 1.00 1.00 O ATOM 661 CB SER A 43 -7.425 14.686 -16.180 1.00 1.00 C ATOM 662 OG SER A 43 -8.017 14.905 -17.451 1.00 1.00 O ATOM 0 H SER A 43 -9.378 13.070 -14.702 1.00 1.00 H new ATOM 0 HA SER A 43 -7.164 12.579 -16.577 1.00 1.00 H new ATOM 0 HB2 SER A 43 -7.898 15.322 -15.432 1.00 1.00 H new ATOM 0 HB3 SER A 43 -6.369 14.957 -16.207 1.00 1.00 H new ATOM 0 HG SER A 43 -7.919 15.848 -17.699 1.00 1.00 H new ATOM 668 N ILE A 44 -6.590 13.964 -13.704 1.00 1.00 N ATOM 669 CA ILE A 44 -5.868 13.836 -12.439 1.00 1.00 C ATOM 670 C ILE A 44 -4.464 13.280 -12.689 1.00 1.00 C ATOM 671 O ILE A 44 -4.298 12.258 -13.356 1.00 1.00 O ATOM 672 CB ILE A 44 -6.648 12.918 -11.479 1.00 1.00 C ATOM 673 CG1 ILE A 44 -8.078 13.471 -11.291 1.00 1.00 C ATOM 674 CG2 ILE A 44 -5.937 12.863 -10.116 1.00 1.00 C ATOM 675 CD1 ILE A 44 -8.932 12.459 -10.522 1.00 1.00 C ATOM 0 H ILE A 44 -6.897 14.914 -13.915 1.00 1.00 H new ATOM 0 HA ILE A 44 -5.774 14.821 -11.981 1.00 1.00 H new ATOM 0 HB ILE A 44 -6.695 11.914 -11.900 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -8.043 14.416 -10.749 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -8.528 13.676 -12.262 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -6.493 12.212 -9.441 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.928 12.472 -10.247 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -5.885 13.866 -9.692 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -9.939 12.856 -10.393 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -8.979 11.524 -11.080 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -8.487 12.276 -9.544 1.00 1.00 H new ATOM 687 N ASN A 45 -3.453 13.955 -12.151 1.00 1.00 N ATOM 688 CA ASN A 45 -2.070 13.529 -12.320 1.00 1.00 C ATOM 689 C ASN A 45 -1.881 12.089 -11.830 1.00 1.00 C ATOM 690 O ASN A 45 -1.576 11.848 -10.663 1.00 1.00 O ATOM 691 CB ASN A 45 -1.149 14.486 -11.540 1.00 1.00 C ATOM 692 CG ASN A 45 -1.731 14.758 -10.150 1.00 1.00 C ATOM 693 OD1 ASN A 45 -1.283 15.672 -9.458 1.00 1.00 O ATOM 694 ND2 ASN A 45 -2.709 14.018 -9.697 1.00 1.00 N ATOM 0 H ASN A 45 -3.567 14.801 -11.593 1.00 1.00 H new ATOM 0 HA ASN A 45 -1.814 13.558 -13.379 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -0.154 14.051 -11.448 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -1.038 15.423 -12.086 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -3.099 14.199 -8.772 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -3.082 13.260 -10.269 1.00 1.00 H new ATOM 701 N VAL A 46 -2.052 11.128 -12.730 1.00 1.00 N ATOM 702 CA VAL A 46 -1.898 9.713 -12.391 1.00 1.00 C ATOM 703 C VAL A 46 -0.504 9.438 -11.815 1.00 1.00 C ATOM 704 O VAL A 46 -0.272 8.410 -11.179 1.00 1.00 O ATOM 705 CB VAL A 46 -2.122 8.852 -13.644 1.00 1.00 C ATOM 706 CG1 VAL A 46 -2.053 7.361 -13.275 1.00 1.00 C ATOM 707 CG2 VAL A 46 -3.501 9.166 -14.240 1.00 1.00 C ATOM 0 H VAL A 46 -2.298 11.301 -13.705 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.640 9.457 -11.634 1.00 1.00 H new ATOM 0 HB VAL A 46 -1.346 9.077 -14.375 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -2.213 6.757 -14.168 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -1.073 7.135 -12.855 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -2.824 7.132 -12.540 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -3.661 8.556 -15.129 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -4.274 8.945 -13.504 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -3.549 10.221 -14.511 1.00 1.00 H new ATOM 717 N ASN A 47 0.420 10.369 -12.034 1.00 1.00 N ATOM 718 CA ASN A 47 1.796 10.235 -11.546 1.00 1.00 C ATOM 719 C ASN A 47 1.884 10.682 -10.099 1.00 1.00 C ATOM 720 O ASN A 47 2.971 10.869 -9.550 1.00 1.00 O ATOM 721 CB ASN A 47 2.737 11.080 -12.407 1.00 1.00 C ATOM 722 CG ASN A 47 4.181 10.870 -11.960 1.00 1.00 C ATOM 723 OD1 ASN A 47 4.725 11.684 -11.213 1.00 1.00 O ATOM 724 ND2 ASN A 47 4.835 9.816 -12.368 1.00 1.00 N ATOM 0 H ASN A 47 0.242 11.231 -12.549 1.00 1.00 H new ATOM 0 HA ASN A 47 2.092 9.188 -11.611 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.629 10.805 -13.456 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.471 12.134 -12.324 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.798 9.666 -12.068 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.383 9.143 -12.987 1.00 1.00 H new ATOM 731 N GLU A 48 0.720 10.854 -9.484 1.00 1.00 N ATOM 732 CA GLU A 48 0.635 11.297 -8.087 1.00 1.00 C ATOM 733 C GLU A 48 -0.343 10.427 -7.320 1.00 1.00 C ATOM 734 O GLU A 48 -1.284 10.920 -6.699 1.00 1.00 O ATOM 735 CB GLU A 48 0.177 12.760 -8.049 1.00 1.00 C ATOM 736 CG GLU A 48 1.204 13.649 -8.768 1.00 1.00 C ATOM 737 CD GLU A 48 2.527 13.660 -8.009 1.00 1.00 C ATOM 738 OE1 GLU A 48 2.518 13.327 -6.836 1.00 1.00 O ATOM 739 OE2 GLU A 48 3.533 13.992 -8.614 1.00 1.00 O ATOM 0 H GLU A 48 -0.184 10.694 -9.928 1.00 1.00 H new ATOM 0 HA GLU A 48 1.616 11.210 -7.620 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -0.798 12.857 -8.526 1.00 1.00 H new ATOM 0 HB3 GLU A 48 0.060 13.087 -7.016 1.00 1.00 H new ATOM 0 HG2 GLU A 48 1.363 13.283 -9.782 1.00 1.00 H new ATOM 0 HG3 GLU A 48 0.818 14.665 -8.852 1.00 1.00 H new ATOM 746 N LEU A 49 -0.112 9.119 -7.358 1.00 1.00 N ATOM 747 CA LEU A 49 -0.967 8.148 -6.659 1.00 1.00 C ATOM 748 C LEU A 49 -0.115 7.009 -6.119 1.00 1.00 C ATOM 749 O LEU A 49 0.413 6.194 -6.876 1.00 1.00 O ATOM 750 CB LEU A 49 -2.035 7.595 -7.612 1.00 1.00 C ATOM 751 CG LEU A 49 -3.092 8.680 -7.935 1.00 1.00 C ATOM 752 CD1 LEU A 49 -4.021 8.158 -9.029 1.00 1.00 C ATOM 753 CD2 LEU A 49 -3.916 9.071 -6.667 1.00 1.00 C ATOM 0 H LEU A 49 0.665 8.698 -7.868 1.00 1.00 H new ATOM 0 HA LEU A 49 -1.465 8.650 -5.830 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -1.565 7.252 -8.534 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -2.520 6.730 -7.160 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.578 9.577 -8.279 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -4.769 8.915 -9.263 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -3.440 7.933 -9.923 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -4.518 7.252 -8.682 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -4.648 9.834 -6.930 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -4.431 8.191 -6.282 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.244 9.461 -5.902 1.00 1.00 H new ATOM 765 N PHE A 50 0.020 6.950 -4.799 1.00 1.00 N ATOM 766 CA PHE A 50 0.820 5.909 -4.155 1.00 1.00 C ATOM 767 C PHE A 50 0.260 5.528 -2.793 1.00 1.00 C ATOM 768 O PHE A 50 -0.453 6.293 -2.143 1.00 1.00 O ATOM 769 CB PHE A 50 2.250 6.409 -3.964 1.00 1.00 C ATOM 770 CG PHE A 50 2.857 6.732 -5.314 1.00 1.00 C ATOM 771 CD1 PHE A 50 3.475 5.721 -6.064 1.00 1.00 C ATOM 772 CD2 PHE A 50 2.800 8.040 -5.819 1.00 1.00 C ATOM 773 CE1 PHE A 50 4.035 6.017 -7.310 1.00 1.00 C ATOM 774 CE2 PHE A 50 3.360 8.333 -7.068 1.00 1.00 C ATOM 775 CZ PHE A 50 3.978 7.322 -7.813 1.00 1.00 C ATOM 0 H PHE A 50 -0.413 7.609 -4.152 1.00 1.00 H new ATOM 0 HA PHE A 50 0.796 5.031 -4.801 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.255 7.295 -3.330 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.847 5.651 -3.457 1.00 1.00 H new ATOM 0 HD1 PHE A 50 3.518 4.713 -5.679 1.00 1.00 H new ATOM 0 HD2 PHE A 50 2.324 8.821 -5.244 1.00 1.00 H new ATOM 0 HE1 PHE A 50 4.512 5.238 -7.885 1.00 1.00 H new ATOM 0 HE2 PHE A 50 3.315 9.340 -7.457 1.00 1.00 H new ATOM 0 HZ PHE A 50 4.411 7.549 -8.776 1.00 1.00 H new ATOM 785 N ALA A 51 0.611 4.320 -2.362 1.00 1.00 N ATOM 786 CA ALA A 51 0.181 3.791 -1.057 1.00 1.00 C ATOM 787 C ALA A 51 1.418 3.511 -0.221 1.00 1.00 C ATOM 788 O ALA A 51 2.427 3.018 -0.727 1.00 1.00 O ATOM 789 CB ALA A 51 -0.628 2.505 -1.238 1.00 1.00 C ATOM 0 H ALA A 51 1.197 3.679 -2.897 1.00 1.00 H new ATOM 0 HA ALA A 51 -0.454 4.523 -0.558 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -0.937 2.129 -0.263 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -1.511 2.712 -1.843 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -0.014 1.756 -1.738 1.00 1.00 H new ATOM 795 N TYR A 52 1.359 3.832 1.067 1.00 1.00 N ATOM 796 CA TYR A 52 2.514 3.621 1.962 1.00 1.00 C ATOM 797 C TYR A 52 2.202 2.632 3.076 1.00 1.00 C ATOM 798 O TYR A 52 1.059 2.247 3.318 1.00 1.00 O ATOM 799 CB TYR A 52 2.928 4.966 2.578 1.00 1.00 C ATOM 800 CG TYR A 52 2.980 6.013 1.484 1.00 1.00 C ATOM 801 CD1 TYR A 52 4.154 6.204 0.739 1.00 1.00 C ATOM 802 CD2 TYR A 52 1.846 6.790 1.207 1.00 1.00 C ATOM 803 CE1 TYR A 52 4.186 7.167 -0.276 1.00 1.00 C ATOM 804 CE2 TYR A 52 1.883 7.751 0.196 1.00 1.00 C ATOM 805 CZ TYR A 52 3.053 7.939 -0.547 1.00 1.00 C ATOM 806 OH TYR A 52 3.093 8.887 -1.546 1.00 1.00 O ATOM 0 H TYR A 52 0.539 4.235 1.520 1.00 1.00 H new ATOM 0 HA TYR A 52 3.326 3.204 1.366 1.00 1.00 H new ATOM 0 HB2 TYR A 52 2.217 5.262 3.349 1.00 1.00 H new ATOM 0 HB3 TYR A 52 3.902 4.876 3.060 1.00 1.00 H new ATOM 0 HD1 TYR A 52 5.031 5.609 0.949 1.00 1.00 H new ATOM 0 HD2 TYR A 52 0.941 6.644 1.778 1.00 1.00 H new ATOM 0 HE1 TYR A 52 5.088 7.314 -0.851 1.00 1.00 H new ATOM 0 HE2 TYR A 52 1.009 8.349 -0.013 1.00 1.00 H new ATOM 0 HH TYR A 52 2.224 9.335 -1.607 1.00 1.00 H new ATOM 816 N VAL A 53 3.265 2.221 3.761 1.00 1.00 N ATOM 817 CA VAL A 53 3.157 1.273 4.877 1.00 1.00 C ATOM 818 C VAL A 53 3.777 1.889 6.125 1.00 1.00 C ATOM 819 O VAL A 53 4.821 2.537 6.068 1.00 1.00 O ATOM 820 CB VAL A 53 3.869 -0.046 4.526 1.00 1.00 C ATOM 821 CG1 VAL A 53 3.076 -0.796 3.454 1.00 1.00 C ATOM 822 CG2 VAL A 53 5.271 0.249 3.991 1.00 1.00 C ATOM 0 H VAL A 53 4.218 2.529 3.565 1.00 1.00 H new ATOM 0 HA VAL A 53 2.105 1.058 5.065 1.00 1.00 H new ATOM 0 HB VAL A 53 3.939 -0.658 5.425 1.00 1.00 H new ATOM 0 HG11 VAL A 53 3.585 -1.728 3.210 1.00 1.00 H new ATOM 0 HG12 VAL A 53 2.076 -1.016 3.828 1.00 1.00 H new ATOM 0 HG13 VAL A 53 3.001 -0.179 2.559 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.771 -0.688 3.744 1.00 1.00 H new ATOM 0 HG22 VAL A 53 5.196 0.867 3.096 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.846 0.778 4.751 1.00 1.00 H new ATOM 832 N ASP A 54 3.124 1.681 7.263 1.00 1.00 N ATOM 833 CA ASP A 54 3.629 2.230 8.529 1.00 1.00 C ATOM 834 C ASP A 54 4.366 1.160 9.316 1.00 1.00 C ATOM 835 O ASP A 54 3.843 0.589 10.274 1.00 1.00 O ATOM 836 CB ASP A 54 2.455 2.767 9.352 1.00 1.00 C ATOM 837 CG ASP A 54 1.458 1.651 9.657 1.00 1.00 C ATOM 838 OD1 ASP A 54 1.533 0.615 9.011 1.00 1.00 O ATOM 839 OD2 ASP A 54 0.631 1.847 10.531 1.00 1.00 O ATOM 0 H ASP A 54 2.259 1.147 7.342 1.00 1.00 H new ATOM 0 HA ASP A 54 4.326 3.040 8.313 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.823 3.198 10.283 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.957 3.568 8.806 1.00 1.00 H new ATOM 844 N LEU A 55 5.604 0.899 8.908 1.00 1.00 N ATOM 845 CA LEU A 55 6.433 -0.097 9.575 1.00 1.00 C ATOM 846 C LEU A 55 6.874 0.425 10.936 1.00 1.00 C ATOM 847 O LEU A 55 8.044 0.315 11.301 1.00 1.00 O ATOM 848 CB LEU A 55 7.657 -0.415 8.698 1.00 1.00 C ATOM 849 CG LEU A 55 7.211 -0.654 7.243 1.00 1.00 C ATOM 850 CD1 LEU A 55 8.428 -1.029 6.389 1.00 1.00 C ATOM 851 CD2 LEU A 55 6.156 -1.777 7.171 1.00 1.00 C ATOM 0 H LEU A 55 6.054 1.363 8.119 1.00 1.00 H new ATOM 0 HA LEU A 55 5.858 -1.011 9.724 1.00 1.00 H new ATOM 0 HB2 LEU A 55 8.369 0.410 8.739 1.00 1.00 H new ATOM 0 HB3 LEU A 55 8.170 -1.298 9.080 1.00 1.00 H new ATOM 0 HG LEU A 55 6.763 0.263 6.861 1.00 1.00 H new ATOM 0 HD11 LEU A 55 8.112 -1.198 5.360 1.00 1.00 H new ATOM 0 HD12 LEU A 55 9.156 -0.218 6.417 1.00 1.00 H new ATOM 0 HD13 LEU A 55 8.883 -1.938 6.783 1.00 1.00 H new ATOM 0 HD21 LEU A 55 5.856 -1.928 6.134 1.00 1.00 H new ATOM 0 HD22 LEU A 55 6.580 -2.701 7.564 1.00 1.00 H new ATOM 0 HD23 LEU A 55 5.285 -1.497 7.764 1.00 1.00 H new ATOM 863 N SER A 56 5.930 0.989 11.683 1.00 1.00 N ATOM 864 CA SER A 56 6.194 1.540 13.003 1.00 1.00 C ATOM 865 C SER A 56 6.781 0.486 13.931 1.00 1.00 C ATOM 866 O SER A 56 7.584 -0.352 13.521 1.00 1.00 O ATOM 867 CB SER A 56 4.897 2.090 13.600 1.00 1.00 C ATOM 868 OG SER A 56 4.274 2.950 12.661 1.00 1.00 O ATOM 0 H SER A 56 4.958 1.076 11.387 1.00 1.00 H new ATOM 0 HA SER A 56 6.922 2.345 12.899 1.00 1.00 H new ATOM 0 HB2 SER A 56 4.227 1.270 13.859 1.00 1.00 H new ATOM 0 HB3 SER A 56 5.109 2.632 14.521 1.00 1.00 H new ATOM 0 HG SER A 56 3.442 3.302 13.041 1.00 1.00 H new ATOM 874 N GLY A 57 6.391 0.533 15.202 1.00 1.00 N ATOM 875 CA GLY A 57 6.891 -0.415 16.211 1.00 1.00 C ATOM 876 C GLY A 57 8.316 -0.865 15.886 1.00 1.00 C ATOM 877 O GLY A 57 9.262 -0.076 15.918 1.00 1.00 O ATOM 0 H GLY A 57 5.728 1.218 15.565 1.00 1.00 H new ATOM 0 HA2 GLY A 57 6.870 0.052 17.196 1.00 1.00 H new ATOM 0 HA3 GLY A 57 6.234 -1.283 16.256 1.00 1.00 H new ATOM 881 N SER A 58 8.453 -2.143 15.554 1.00 1.00 N ATOM 882 CA SER A 58 9.760 -2.724 15.172 1.00 1.00 C ATOM 883 C SER A 58 9.801 -4.223 15.442 1.00 1.00 C ATOM 884 O SER A 58 10.785 -4.880 15.106 1.00 1.00 O ATOM 885 CB SER A 58 10.940 -2.056 15.938 1.00 1.00 C ATOM 886 OG SER A 58 10.505 -1.737 17.250 1.00 1.00 O ATOM 0 H SER A 58 7.680 -2.809 15.538 1.00 1.00 H new ATOM 0 HA SER A 58 9.873 -2.537 14.104 1.00 1.00 H new ATOM 0 HB2 SER A 58 11.796 -2.730 15.977 1.00 1.00 H new ATOM 0 HB3 SER A 58 11.267 -1.155 15.418 1.00 1.00 H new ATOM 0 HG SER A 58 10.221 -0.800 17.282 1.00 1.00 H new ATOM 892 N GLU A 59 8.753 -4.762 16.056 1.00 1.00 N ATOM 893 CA GLU A 59 8.690 -6.193 16.395 1.00 1.00 C ATOM 894 C GLU A 59 9.319 -7.070 15.293 1.00 1.00 C ATOM 895 O GLU A 59 8.645 -7.394 14.317 1.00 1.00 O ATOM 896 CB GLU A 59 7.218 -6.609 16.627 1.00 1.00 C ATOM 897 CG GLU A 59 6.690 -5.969 17.931 1.00 1.00 C ATOM 898 CD GLU A 59 6.603 -4.455 17.771 1.00 1.00 C ATOM 899 OE1 GLU A 59 5.857 -4.013 16.914 1.00 1.00 O ATOM 900 OE2 GLU A 59 7.293 -3.758 18.499 1.00 1.00 O ATOM 0 H GLU A 59 7.927 -4.232 16.334 1.00 1.00 H new ATOM 0 HA GLU A 59 9.265 -6.348 17.308 1.00 1.00 H new ATOM 0 HB2 GLU A 59 6.605 -6.294 15.783 1.00 1.00 H new ATOM 0 HB3 GLU A 59 7.143 -7.695 16.688 1.00 1.00 H new ATOM 0 HG2 GLU A 59 5.708 -6.374 18.173 1.00 1.00 H new ATOM 0 HG3 GLU A 59 7.351 -6.218 18.761 1.00 1.00 H new ATOM 907 N PRO A 60 10.562 -7.453 15.409 1.00 1.00 N ATOM 908 CA PRO A 60 11.248 -8.294 14.369 1.00 1.00 C ATOM 909 C PRO A 60 10.595 -9.667 14.203 1.00 1.00 C ATOM 910 O PRO A 60 10.228 -10.324 15.178 1.00 1.00 O ATOM 911 CB PRO A 60 12.708 -8.433 14.904 1.00 1.00 C ATOM 912 CG PRO A 60 12.870 -7.317 15.892 1.00 1.00 C ATOM 913 CD PRO A 60 11.495 -7.147 16.526 1.00 1.00 C ATOM 0 HA PRO A 60 11.193 -7.838 13.381 1.00 1.00 H new ATOM 0 HB2 PRO A 60 12.864 -9.403 15.376 1.00 1.00 H new ATOM 0 HB3 PRO A 60 13.434 -8.352 14.095 1.00 1.00 H new ATOM 0 HG2 PRO A 60 13.623 -7.560 16.642 1.00 1.00 H new ATOM 0 HG3 PRO A 60 13.194 -6.399 15.401 1.00 1.00 H new ATOM 0 HD2 PRO A 60 11.353 -7.827 17.366 1.00 1.00 H new ATOM 0 HD3 PRO A 60 11.350 -6.136 16.906 1.00 1.00 H new ATOM 921 N GLY A 61 10.463 -10.109 12.956 1.00 1.00 N ATOM 922 CA GLY A 61 9.868 -11.412 12.644 1.00 1.00 C ATOM 923 C GLY A 61 9.003 -11.321 11.391 1.00 1.00 C ATOM 924 O GLY A 61 9.491 -11.022 10.301 1.00 1.00 O ATOM 0 H GLY A 61 10.762 -9.581 12.136 1.00 1.00 H new ATOM 0 HA2 GLY A 61 10.655 -12.151 12.496 1.00 1.00 H new ATOM 0 HA3 GLY A 61 9.264 -11.753 13.485 1.00 1.00 H new ATOM 928 N GLU A 62 7.708 -11.580 11.541 1.00 1.00 N ATOM 929 CA GLU A 62 6.759 -11.528 10.411 1.00 1.00 C ATOM 930 C GLU A 62 5.466 -10.839 10.847 1.00 1.00 C ATOM 931 O GLU A 62 4.433 -11.482 11.033 1.00 1.00 O ATOM 932 CB GLU A 62 6.470 -12.957 9.917 1.00 1.00 C ATOM 933 CG GLU A 62 6.251 -13.889 11.118 1.00 1.00 C ATOM 934 CD GLU A 62 5.819 -15.267 10.630 1.00 1.00 C ATOM 935 OE1 GLU A 62 5.152 -15.329 9.609 1.00 1.00 O ATOM 936 OE2 GLU A 62 6.159 -16.241 11.281 1.00 1.00 O ATOM 0 H GLU A 62 7.281 -11.830 12.433 1.00 1.00 H new ATOM 0 HA GLU A 62 7.197 -10.954 9.594 1.00 1.00 H new ATOM 0 HB2 GLU A 62 5.587 -12.959 9.278 1.00 1.00 H new ATOM 0 HB3 GLU A 62 7.302 -13.318 9.312 1.00 1.00 H new ATOM 0 HG2 GLU A 62 7.170 -13.970 11.699 1.00 1.00 H new ATOM 0 HG3 GLU A 62 5.491 -13.473 11.779 1.00 1.00 H new ATOM 943 N HIS A 63 5.527 -9.520 11.004 1.00 1.00 N ATOM 944 CA HIS A 63 4.374 -8.740 11.444 1.00 1.00 C ATOM 945 C HIS A 63 3.505 -8.289 10.279 1.00 1.00 C ATOM 946 O HIS A 63 3.991 -7.818 9.251 1.00 1.00 O ATOM 947 CB HIS A 63 4.879 -7.493 12.183 1.00 1.00 C ATOM 948 CG HIS A 63 3.716 -6.694 12.723 1.00 1.00 C ATOM 949 ND1 HIS A 63 3.078 -5.707 11.980 1.00 1.00 N ATOM 950 CD2 HIS A 63 3.074 -6.720 13.935 1.00 1.00 C ATOM 951 CE1 HIS A 63 2.102 -5.192 12.747 1.00 1.00 C ATOM 952 NE2 HIS A 63 2.056 -5.771 13.947 1.00 1.00 N ATOM 0 H HIS A 63 6.366 -8.967 10.832 1.00 1.00 H new ATOM 0 HA HIS A 63 3.769 -9.375 12.091 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.536 -7.788 13.001 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.470 -6.876 11.506 1.00 1.00 H new ATOM 0 HD1 HIS A 63 3.309 -5.425 11.027 1.00 1.00 H new ATOM 0 HD2 HIS A 63 3.321 -7.377 14.756 1.00 1.00 H new ATOM 0 HE1 HIS A 63 1.435 -4.404 12.429 1.00 1.00 H new ATOM 961 N ASP A 64 2.195 -8.427 10.462 1.00 1.00 N ATOM 962 CA ASP A 64 1.227 -8.027 9.444 1.00 1.00 C ATOM 963 C ASP A 64 0.971 -6.530 9.563 1.00 1.00 C ATOM 964 O ASP A 64 0.374 -6.055 10.528 1.00 1.00 O ATOM 965 CB ASP A 64 -0.076 -8.800 9.640 1.00 1.00 C ATOM 966 CG ASP A 64 -0.617 -8.579 11.048 1.00 1.00 C ATOM 967 OD1 ASP A 64 0.142 -8.134 11.896 1.00 1.00 O ATOM 968 OD2 ASP A 64 -1.785 -8.857 11.260 1.00 1.00 O ATOM 0 H ASP A 64 1.778 -8.814 11.308 1.00 1.00 H new ATOM 0 HA ASP A 64 1.620 -8.250 8.452 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.813 -8.476 8.905 1.00 1.00 H new ATOM 0 HB3 ASP A 64 0.095 -9.863 9.472 1.00 1.00 H new ATOM 973 N TYR A 65 1.440 -5.766 8.580 1.00 1.00 N ATOM 974 CA TYR A 65 1.278 -4.303 8.592 1.00 1.00 C ATOM 975 C TYR A 65 0.080 -3.864 7.760 1.00 1.00 C ATOM 976 O TYR A 65 -0.410 -4.589 6.894 1.00 1.00 O ATOM 977 CB TYR A 65 2.559 -3.632 8.072 1.00 1.00 C ATOM 978 CG TYR A 65 3.690 -3.858 9.068 1.00 1.00 C ATOM 979 CD1 TYR A 65 3.667 -3.190 10.301 1.00 1.00 C ATOM 980 CD2 TYR A 65 4.752 -4.731 8.771 1.00 1.00 C ATOM 981 CE1 TYR A 65 4.695 -3.389 11.231 1.00 1.00 C ATOM 982 CE2 TYR A 65 5.778 -4.927 9.702 1.00 1.00 C ATOM 983 CZ TYR A 65 5.749 -4.258 10.931 1.00 1.00 C ATOM 984 OH TYR A 65 6.765 -4.455 11.846 1.00 1.00 O ATOM 0 H TYR A 65 1.935 -6.128 7.765 1.00 1.00 H new ATOM 0 HA TYR A 65 1.097 -3.993 9.621 1.00 1.00 H new ATOM 0 HB2 TYR A 65 2.829 -4.043 7.099 1.00 1.00 H new ATOM 0 HB3 TYR A 65 2.392 -2.564 7.931 1.00 1.00 H new ATOM 0 HD1 TYR A 65 2.853 -2.519 10.534 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.776 -5.250 7.824 1.00 1.00 H new ATOM 0 HE1 TYR A 65 4.674 -2.872 12.179 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.594 -5.596 9.472 1.00 1.00 H new ATOM 0 HH TYR A 65 7.416 -5.089 11.480 1.00 1.00 H new ATOM 994 N GLU A 66 -0.390 -2.655 8.049 1.00 1.00 N ATOM 995 CA GLU A 66 -1.550 -2.075 7.362 1.00 1.00 C ATOM 996 C GLU A 66 -1.124 -1.012 6.359 1.00 1.00 C ATOM 997 O GLU A 66 -0.208 -0.227 6.609 1.00 1.00 O ATOM 998 CB GLU A 66 -2.480 -1.454 8.409 1.00 1.00 C ATOM 999 CG GLU A 66 -3.765 -0.947 7.743 1.00 1.00 C ATOM 1000 CD GLU A 66 -4.746 -0.446 8.803 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -4.544 -0.753 9.969 1.00 1.00 O ATOM 1002 OE2 GLU A 66 -5.686 0.234 8.434 1.00 1.00 O ATOM 0 H GLU A 66 0.016 -2.048 8.761 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.065 -2.863 6.814 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -2.725 -2.193 9.172 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -1.974 -0.631 8.913 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -3.529 -0.143 7.046 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -4.223 -1.748 7.163 1.00 1.00 H new ATOM 1009 N VAL A 67 -1.804 -0.988 5.217 1.00 1.00 N ATOM 1010 CA VAL A 67 -1.505 -0.019 4.164 1.00 1.00 C ATOM 1011 C VAL A 67 -2.140 1.332 4.493 1.00 1.00 C ATOM 1012 O VAL A 67 -3.346 1.438 4.710 1.00 1.00 O ATOM 1013 CB VAL A 67 -2.055 -0.528 2.823 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -1.533 0.343 1.672 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -1.606 -1.973 2.597 1.00 1.00 C ATOM 0 H VAL A 67 -2.567 -1.628 4.995 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.424 0.103 4.095 1.00 1.00 H new ATOM 0 HB VAL A 67 -3.144 -0.478 2.850 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -1.930 -0.027 0.727 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -1.854 1.374 1.821 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -0.444 0.302 1.650 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -1.998 -2.331 1.645 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -0.517 -2.017 2.581 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.983 -2.602 3.404 1.00 1.00 H new ATOM 1025 N LYS A 68 -1.321 2.379 4.527 1.00 1.00 N ATOM 1026 CA LYS A 68 -1.810 3.735 4.828 1.00 1.00 C ATOM 1027 C LYS A 68 -1.973 4.539 3.537 1.00 1.00 C ATOM 1028 O LYS A 68 -1.065 5.241 3.095 1.00 1.00 O ATOM 1029 CB LYS A 68 -0.828 4.438 5.769 1.00 1.00 C ATOM 1030 CG LYS A 68 -1.405 5.790 6.210 1.00 1.00 C ATOM 1031 CD LYS A 68 -0.480 6.432 7.243 1.00 1.00 C ATOM 1032 CE LYS A 68 -1.079 7.763 7.702 1.00 1.00 C ATOM 1033 NZ LYS A 68 -1.095 8.725 6.563 1.00 1.00 N ATOM 0 H LYS A 68 -0.318 2.323 4.352 1.00 1.00 H new ATOM 0 HA LYS A 68 -2.783 3.663 5.315 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -0.635 3.813 6.641 1.00 1.00 H new ATOM 0 HB3 LYS A 68 0.128 4.587 5.266 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -1.516 6.448 5.348 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -2.399 5.651 6.634 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -0.350 5.765 8.096 1.00 1.00 H new ATOM 0 HD3 LYS A 68 0.508 6.594 6.812 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -2.092 7.608 8.074 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -0.495 8.171 8.527 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -1.207 9.693 6.927 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -0.201 8.654 6.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -1.889 8.500 5.930 1.00 1.00 H new ATOM 1047 N VAL A 69 -3.153 4.444 2.933 1.00 1.00 N ATOM 1048 CA VAL A 69 -3.439 5.161 1.681 1.00 1.00 C ATOM 1049 C VAL A 69 -3.941 6.572 1.961 1.00 1.00 C ATOM 1050 O VAL A 69 -4.802 6.780 2.816 1.00 1.00 O ATOM 1051 CB VAL A 69 -4.494 4.392 0.871 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -4.755 5.104 -0.472 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -3.984 2.969 0.614 1.00 1.00 C ATOM 0 H VAL A 69 -3.928 3.881 3.283 1.00 1.00 H new ATOM 0 HA VAL A 69 -2.514 5.231 1.109 1.00 1.00 H new ATOM 0 HB VAL A 69 -5.428 4.355 1.432 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -5.504 4.550 -1.038 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.116 6.115 -0.284 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -3.829 5.151 -1.045 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -4.726 2.415 0.039 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -3.050 3.013 0.054 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -3.813 2.466 1.566 1.00 1.00 H new ATOM 1063 N GLU A 70 -3.405 7.541 1.225 1.00 1.00 N ATOM 1064 CA GLU A 70 -3.803 8.935 1.397 1.00 1.00 C ATOM 1065 C GLU A 70 -5.201 9.177 0.790 1.00 1.00 C ATOM 1066 O GLU A 70 -5.543 8.557 -0.216 1.00 1.00 O ATOM 1067 CB GLU A 70 -2.773 9.854 0.716 1.00 1.00 C ATOM 1068 CG GLU A 70 -1.431 9.785 1.464 1.00 1.00 C ATOM 1069 CD GLU A 70 -0.466 10.834 0.923 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -0.931 11.893 0.540 1.00 1.00 O ATOM 1071 OE2 GLU A 70 0.723 10.566 0.908 1.00 1.00 O ATOM 0 H GLU A 70 -2.697 7.388 0.507 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.843 9.160 2.463 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -2.636 9.553 -0.323 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -3.140 10.880 0.705 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -1.593 9.946 2.530 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -0.997 8.791 1.354 1.00 1.00 H new ATOM 1078 N PRO A 71 -5.995 10.047 1.352 1.00 1.00 N ATOM 1079 CA PRO A 71 -7.367 10.342 0.822 1.00 1.00 C ATOM 1080 C PRO A 71 -7.323 11.105 -0.502 1.00 1.00 C ATOM 1081 O PRO A 71 -6.368 11.819 -0.807 1.00 1.00 O ATOM 1082 CB PRO A 71 -8.018 11.186 1.950 1.00 1.00 C ATOM 1083 CG PRO A 71 -6.859 11.874 2.610 1.00 1.00 C ATOM 1084 CD PRO A 71 -5.701 10.865 2.555 1.00 1.00 C ATOM 0 HA PRO A 71 -7.928 9.436 0.593 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -8.732 11.905 1.548 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -8.562 10.557 2.655 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -6.601 12.796 2.090 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -7.096 12.144 3.639 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -4.737 11.367 2.470 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -5.663 10.252 3.455 1.00 1.00 H new ATOM 1092 N ILE A 72 -8.384 10.962 -1.291 1.00 1.00 N ATOM 1093 CA ILE A 72 -8.471 11.652 -2.597 1.00 1.00 C ATOM 1094 C ILE A 72 -9.584 12.732 -2.574 1.00 1.00 C ATOM 1095 O ILE A 72 -10.739 12.402 -2.303 1.00 1.00 O ATOM 1096 CB ILE A 72 -8.757 10.650 -3.733 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -7.739 9.500 -3.655 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -8.599 11.372 -5.094 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -8.086 8.431 -4.693 1.00 1.00 C ATOM 0 H ILE A 72 -9.193 10.384 -1.063 1.00 1.00 H new ATOM 0 HA ILE A 72 -7.509 12.131 -2.780 1.00 1.00 H new ATOM 0 HB ILE A 72 -9.769 10.257 -3.636 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -6.733 9.880 -3.833 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.744 9.065 -2.656 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -8.800 10.670 -5.904 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -9.304 12.202 -5.150 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.582 11.753 -5.188 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -7.362 7.618 -4.634 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -9.085 8.042 -4.495 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -8.059 8.870 -5.690 1.00 1.00 H new ATOM 1111 N PRO A 73 -9.286 13.970 -2.857 1.00 1.00 N ATOM 1112 CA PRO A 73 -10.326 15.056 -2.859 1.00 1.00 C ATOM 1113 C PRO A 73 -11.268 14.960 -4.064 1.00 1.00 C ATOM 1114 O PRO A 73 -10.838 14.755 -5.199 1.00 1.00 O ATOM 1115 CB PRO A 73 -9.494 16.366 -2.894 1.00 1.00 C ATOM 1116 CG PRO A 73 -8.198 15.981 -3.552 1.00 1.00 C ATOM 1117 CD PRO A 73 -7.950 14.505 -3.205 1.00 1.00 C ATOM 0 HA PRO A 73 -10.984 14.993 -1.992 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -10.007 17.145 -3.457 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -9.327 16.756 -1.890 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -8.255 16.121 -4.631 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -7.381 16.606 -3.193 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -7.516 13.968 -4.048 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -7.255 14.406 -2.372 1.00 1.00 H new ATOM 1125 N ASN A 74 -12.563 15.122 -3.818 1.00 1.00 N ATOM 1126 CA ASN A 74 -13.595 15.083 -4.862 1.00 1.00 C ATOM 1127 C ASN A 74 -13.938 13.646 -5.248 1.00 1.00 C ATOM 1128 O ASN A 74 -14.950 13.384 -5.896 1.00 1.00 O ATOM 1129 CB ASN A 74 -13.146 15.872 -6.119 1.00 1.00 C ATOM 1130 CG ASN A 74 -14.352 16.304 -6.947 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -15.462 15.827 -6.719 1.00 1.00 O ATOM 1132 ND2 ASN A 74 -14.193 17.177 -7.903 1.00 1.00 N ATOM 0 H ASN A 74 -12.935 15.286 -2.883 1.00 1.00 H new ATOM 0 HA ASN A 74 -14.488 15.555 -4.452 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -12.573 16.749 -5.818 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -12.486 15.253 -6.726 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -14.992 17.468 -8.466 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -13.270 17.569 -8.087 1.00 1.00 H new ATOM 1139 N ILE A 75 -13.089 12.702 -4.856 1.00 1.00 N ATOM 1140 CA ILE A 75 -13.302 11.275 -5.167 1.00 1.00 C ATOM 1141 C ILE A 75 -13.389 10.470 -3.881 1.00 1.00 C ATOM 1142 O ILE A 75 -12.743 10.770 -2.877 1.00 1.00 O ATOM 1143 CB ILE A 75 -12.163 10.745 -6.043 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -12.059 11.589 -7.334 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -12.411 9.274 -6.411 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -13.366 11.556 -8.165 1.00 1.00 C ATOM 0 H ILE A 75 -12.242 12.890 -4.320 1.00 1.00 H new ATOM 0 HA ILE A 75 -14.239 11.172 -5.714 1.00 1.00 H new ATOM 0 HB ILE A 75 -11.230 10.818 -5.483 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -11.823 12.621 -7.073 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -11.235 11.218 -7.943 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -11.593 8.912 -7.034 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -12.467 8.676 -5.501 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -13.349 9.189 -6.959 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -13.243 12.164 -9.061 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -13.589 10.528 -8.451 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -14.187 11.953 -7.568 1.00 1.00 H new ATOM 1158 N LYS A 76 -14.215 9.430 -3.914 1.00 1.00 N ATOM 1159 CA LYS A 76 -14.420 8.563 -2.744 1.00 1.00 C ATOM 1160 C LYS A 76 -13.809 7.177 -2.969 1.00 1.00 C ATOM 1161 O LYS A 76 -14.272 6.384 -3.789 1.00 1.00 O ATOM 1162 CB LYS A 76 -15.942 8.442 -2.467 1.00 1.00 C ATOM 1163 CG LYS A 76 -16.224 8.268 -0.960 1.00 1.00 C ATOM 1164 CD LYS A 76 -15.563 6.982 -0.446 1.00 1.00 C ATOM 1165 CE LYS A 76 -16.008 6.701 0.986 1.00 1.00 C ATOM 1166 NZ LYS A 76 -15.415 5.411 1.437 1.00 1.00 N ATOM 0 H LYS A 76 -14.757 9.161 -4.735 1.00 1.00 H new ATOM 0 HA LYS A 76 -13.921 9.007 -1.882 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -16.453 9.332 -2.835 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -16.348 7.592 -3.016 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -15.843 9.128 -0.409 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -17.299 8.229 -0.785 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -15.831 6.144 -1.089 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -14.478 7.080 -0.485 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -15.692 7.511 1.644 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -17.096 6.654 1.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -16.175 4.759 1.717 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -14.866 4.991 0.660 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -14.789 5.582 2.250 1.00 1.00 H new ATOM 1180 N ILE A 77 -12.760 6.874 -2.210 1.00 1.00 N ATOM 1181 CA ILE A 77 -12.095 5.589 -2.301 1.00 1.00 C ATOM 1182 C ILE A 77 -13.078 4.466 -1.981 1.00 1.00 C ATOM 1183 O ILE A 77 -13.977 4.617 -1.153 1.00 1.00 O ATOM 1184 CB ILE A 77 -10.919 5.552 -1.316 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -10.152 4.225 -1.467 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -11.435 5.694 0.131 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -8.846 4.295 -0.671 1.00 1.00 C ATOM 0 H ILE A 77 -12.354 7.509 -1.523 1.00 1.00 H new ATOM 0 HA ILE A 77 -11.722 5.449 -3.315 1.00 1.00 H new ATOM 0 HB ILE A 77 -10.248 6.382 -1.536 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -10.764 3.397 -1.110 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -9.939 4.034 -2.519 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -10.593 5.666 0.822 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -11.961 6.642 0.238 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -12.116 4.873 0.357 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -8.304 3.356 -0.778 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -8.233 5.113 -1.049 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -9.070 4.466 0.382 1.00 1.00 H new ATOM 1199 N VAL A 78 -12.908 3.321 -2.636 1.00 1.00 N ATOM 1200 CA VAL A 78 -13.793 2.160 -2.408 1.00 1.00 C ATOM 1201 C VAL A 78 -13.096 1.110 -1.549 1.00 1.00 C ATOM 1202 O VAL A 78 -13.700 0.533 -0.645 1.00 1.00 O ATOM 1203 CB VAL A 78 -14.212 1.559 -3.753 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -15.125 0.339 -3.536 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -14.972 2.624 -4.554 1.00 1.00 C ATOM 0 H VAL A 78 -12.174 3.163 -3.326 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.682 2.495 -1.875 1.00 1.00 H new ATOM 0 HB VAL A 78 -13.323 1.238 -4.295 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -15.414 -0.076 -4.502 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -14.591 -0.417 -2.961 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.018 0.645 -2.991 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -15.276 2.208 -5.515 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.856 2.936 -3.997 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.325 3.485 -4.720 1.00 1.00 H new ATOM 1215 N GLU A 79 -11.822 0.845 -1.816 1.00 1.00 N ATOM 1216 CA GLU A 79 -11.077 -0.149 -1.049 1.00 1.00 C ATOM 1217 C GLU A 79 -9.604 -0.138 -1.437 1.00 1.00 C ATOM 1218 O GLU A 79 -9.177 0.567 -2.351 1.00 1.00 O ATOM 1219 CB GLU A 79 -11.660 -1.550 -1.277 1.00 1.00 C ATOM 1220 CG GLU A 79 -11.688 -1.866 -2.773 1.00 1.00 C ATOM 1221 CD GLU A 79 -12.359 -3.218 -3.005 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -11.875 -4.198 -2.464 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -13.349 -3.250 -3.717 1.00 1.00 O ATOM 0 H GLU A 79 -11.285 1.301 -2.553 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.164 0.107 0.007 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.060 -2.293 -0.751 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -12.668 -1.605 -0.866 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -12.228 -1.085 -3.309 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -10.673 -1.881 -3.170 1.00 1.00 H new ATOM 1230 N ILE A 80 -8.816 -0.941 -0.728 1.00 1.00 N ATOM 1231 CA ILE A 80 -7.368 -1.043 -0.986 1.00 1.00 C ATOM 1232 C ILE A 80 -7.047 -2.403 -1.585 1.00 1.00 C ATOM 1233 O ILE A 80 -6.824 -2.538 -2.788 1.00 1.00 O ATOM 1234 CB ILE A 80 -6.579 -0.848 0.324 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -7.003 0.483 0.977 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -5.070 -0.810 0.017 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -6.386 0.607 2.375 1.00 1.00 C ATOM 0 H ILE A 80 -9.148 -1.534 0.032 1.00 1.00 H new ATOM 0 HA ILE A 80 -7.079 -0.263 -1.690 1.00 1.00 H new ATOM 0 HB ILE A 80 -6.788 -1.674 1.003 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -6.684 1.319 0.355 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -8.090 0.533 1.045 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -4.513 -0.672 0.944 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -4.770 -1.748 -0.450 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -4.857 0.017 -0.660 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -6.693 1.551 2.826 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -6.727 -0.220 2.998 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -5.299 0.579 2.297 1.00 1.00 H new ATOM 1249 N SER A 81 -7.008 -3.432 -0.745 1.00 1.00 N ATOM 1250 CA SER A 81 -6.717 -4.793 -1.182 1.00 1.00 C ATOM 1251 C SER A 81 -5.378 -4.886 -1.956 1.00 1.00 C ATOM 1252 O SER A 81 -5.322 -4.395 -3.085 1.00 1.00 O ATOM 1253 CB SER A 81 -7.836 -5.329 -2.081 1.00 1.00 C ATOM 1254 OG SER A 81 -7.896 -4.597 -3.286 1.00 1.00 O ATOM 0 H SER A 81 -7.177 -3.346 0.257 1.00 1.00 H new ATOM 0 HA SER A 81 -6.641 -5.395 -0.277 1.00 1.00 H new ATOM 0 HB2 SER A 81 -7.663 -6.383 -2.297 1.00 1.00 H new ATOM 0 HB3 SER A 81 -8.792 -5.263 -1.561 1.00 1.00 H new ATOM 0 HG SER A 81 -7.070 -4.081 -3.397 1.00 1.00 H new ATOM 1260 N PRO A 82 -4.339 -5.458 -1.411 1.00 1.00 N ATOM 1261 CA PRO A 82 -4.318 -6.084 -0.045 1.00 1.00 C ATOM 1262 C PRO A 82 -4.439 -5.027 1.071 1.00 1.00 C ATOM 1263 O PRO A 82 -3.610 -4.126 1.183 1.00 1.00 O ATOM 1264 CB PRO A 82 -2.947 -6.826 0.010 1.00 1.00 C ATOM 1265 CG PRO A 82 -2.427 -6.835 -1.406 1.00 1.00 C ATOM 1266 CD PRO A 82 -3.014 -5.583 -2.058 1.00 1.00 C ATOM 0 HA PRO A 82 -5.161 -6.756 0.116 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -2.253 -6.316 0.678 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -3.067 -7.841 0.389 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -1.337 -6.815 -1.425 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -2.738 -7.736 -1.934 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -2.393 -4.706 -1.878 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -3.102 -5.695 -3.139 1.00 1.00 H new ATOM 1274 N ARG A 83 -5.456 -5.155 1.915 1.00 1.00 N ATOM 1275 CA ARG A 83 -5.667 -4.222 3.022 1.00 1.00 C ATOM 1276 C ARG A 83 -4.560 -4.402 4.055 1.00 1.00 C ATOM 1277 O ARG A 83 -4.121 -3.457 4.710 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.039 -4.470 3.667 1.00 1.00 C ATOM 1279 CG ARG A 83 -8.154 -4.090 2.685 1.00 1.00 C ATOM 1280 CD ARG A 83 -9.511 -4.420 3.304 1.00 1.00 C ATOM 1281 NE ARG A 83 -9.640 -5.863 3.450 1.00 1.00 N ATOM 1282 CZ ARG A 83 -10.696 -6.418 4.039 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -11.662 -5.674 4.518 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -10.763 -7.715 4.142 1.00 1.00 N ATOM 0 H ARG A 83 -6.152 -5.898 1.856 1.00 1.00 H new ATOM 0 HA ARG A 83 -5.642 -3.200 2.643 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.133 -5.518 3.950 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -7.132 -3.884 4.581 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -8.099 -3.027 2.449 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -8.028 -4.632 1.748 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.607 -3.935 4.276 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.313 -4.034 2.675 1.00 1.00 H new ATOM 0 HE ARG A 83 -8.900 -6.466 3.090 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -11.609 -4.658 4.441 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -12.467 -6.110 4.968 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -10.010 -8.295 3.773 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -11.568 -8.150 4.592 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.106 -5.641 4.209 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.046 -6.003 5.159 1.00 1.00 C ATOM 1300 C VAL A 84 -1.991 -6.836 4.437 1.00 1.00 C ATOM 1301 O VAL A 84 -2.305 -7.660 3.578 1.00 1.00 O ATOM 1302 CB VAL A 84 -3.638 -6.802 6.325 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.534 -7.144 7.333 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -4.719 -5.969 7.025 1.00 1.00 C ATOM 0 H VAL A 84 -4.463 -6.434 3.676 1.00 1.00 H new ATOM 0 HA VAL A 84 -2.586 -5.097 5.555 1.00 1.00 H new ATOM 0 HB VAL A 84 -4.077 -7.722 5.939 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -2.960 -7.712 8.160 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -1.765 -7.740 6.842 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.092 -6.224 7.715 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.138 -6.540 7.854 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.279 -5.047 7.405 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.509 -5.727 6.314 1.00 1.00 H new ATOM 1314 N VAL A 85 -0.726 -6.623 4.786 1.00 1.00 N ATOM 1315 CA VAL A 85 0.384 -7.364 4.154 1.00 1.00 C ATOM 1316 C VAL A 85 1.398 -7.851 5.185 1.00 1.00 C ATOM 1317 O VAL A 85 1.560 -7.271 6.259 1.00 1.00 O ATOM 1318 CB VAL A 85 1.085 -6.466 3.120 1.00 1.00 C ATOM 1319 CG1 VAL A 85 0.117 -6.138 1.986 1.00 1.00 C ATOM 1320 CG2 VAL A 85 1.535 -5.164 3.784 1.00 1.00 C ATOM 0 H VAL A 85 -0.435 -5.951 5.496 1.00 1.00 H new ATOM 0 HA VAL A 85 -0.037 -8.240 3.661 1.00 1.00 H new ATOM 0 HB VAL A 85 1.953 -6.993 2.723 1.00 1.00 H new ATOM 0 HG11 VAL A 85 0.616 -5.502 1.255 1.00 1.00 H new ATOM 0 HG12 VAL A 85 -0.205 -7.061 1.504 1.00 1.00 H new ATOM 0 HG13 VAL A 85 -0.751 -5.617 2.388 1.00 1.00 H new ATOM 0 HG21 VAL A 85 2.031 -4.532 3.047 1.00 1.00 H new ATOM 0 HG22 VAL A 85 0.667 -4.641 4.185 1.00 1.00 H new ATOM 0 HG23 VAL A 85 2.229 -5.389 4.594 1.00 1.00 H new ATOM 1330 N THR A 86 2.086 -8.932 4.834 1.00 1.00 N ATOM 1331 CA THR A 86 3.102 -9.536 5.714 1.00 1.00 C ATOM 1332 C THR A 86 4.504 -9.263 5.181 1.00 1.00 C ATOM 1333 O THR A 86 4.849 -9.643 4.062 1.00 1.00 O ATOM 1334 CB THR A 86 2.866 -11.049 5.784 1.00 1.00 C ATOM 1335 OG1 THR A 86 1.522 -11.296 6.175 1.00 1.00 O ATOM 1336 CG2 THR A 86 3.815 -11.683 6.806 1.00 1.00 C ATOM 0 H THR A 86 1.964 -9.416 3.944 1.00 1.00 H new ATOM 0 HA THR A 86 3.018 -9.097 6.708 1.00 1.00 H new ATOM 0 HB THR A 86 3.054 -11.486 4.803 1.00 1.00 H new ATOM 0 HG1 THR A 86 1.367 -12.263 6.219 1.00 1.00 H new ATOM 0 HG21 THR A 86 3.639 -12.758 6.848 1.00 1.00 H new ATOM 0 HG22 THR A 86 4.847 -11.495 6.509 1.00 1.00 H new ATOM 0 HG23 THR A 86 3.635 -11.247 7.789 1.00 1.00 H new ATOM 1344 N LEU A 87 5.315 -8.601 5.999 1.00 1.00 N ATOM 1345 CA LEU A 87 6.698 -8.268 5.618 1.00 1.00 C ATOM 1346 C LEU A 87 7.671 -8.757 6.679 1.00 1.00 C ATOM 1347 O LEU A 87 7.458 -8.568 7.876 1.00 1.00 O ATOM 1348 CB LEU A 87 6.845 -6.755 5.454 1.00 1.00 C ATOM 1349 CG LEU A 87 5.826 -6.223 4.421 1.00 1.00 C ATOM 1350 CD1 LEU A 87 5.856 -4.693 4.429 1.00 1.00 C ATOM 1351 CD2 LEU A 87 6.155 -6.734 2.995 1.00 1.00 C ATOM 0 H LEU A 87 5.047 -8.282 6.930 1.00 1.00 H new ATOM 0 HA LEU A 87 6.924 -8.760 4.672 1.00 1.00 H new ATOM 0 HB2 LEU A 87 6.690 -6.262 6.414 1.00 1.00 H new ATOM 0 HB3 LEU A 87 7.858 -6.515 5.132 1.00 1.00 H new ATOM 0 HG LEU A 87 4.835 -6.585 4.695 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.139 -4.311 3.702 1.00 1.00 H new ATOM 0 HD12 LEU A 87 5.594 -4.329 5.423 1.00 1.00 H new ATOM 0 HD13 LEU A 87 6.856 -4.347 4.168 1.00 1.00 H new ATOM 0 HD21 LEU A 87 5.421 -6.343 2.290 1.00 1.00 H new ATOM 0 HD22 LEU A 87 7.150 -6.395 2.708 1.00 1.00 H new ATOM 0 HD23 LEU A 87 6.125 -7.824 2.983 1.00 1.00 H new ATOM 1363 N GLN A 88 8.753 -9.386 6.231 1.00 1.00 N ATOM 1364 CA GLN A 88 9.764 -9.909 7.150 1.00 1.00 C ATOM 1365 C GLN A 88 10.872 -8.882 7.360 1.00 1.00 C ATOM 1366 O GLN A 88 11.411 -8.321 6.406 1.00 1.00 O ATOM 1367 CB GLN A 88 10.354 -11.210 6.588 1.00 1.00 C ATOM 1368 CG GLN A 88 11.265 -11.862 7.634 1.00 1.00 C ATOM 1369 CD GLN A 88 11.854 -13.152 7.083 1.00 1.00 C ATOM 1370 OE1 GLN A 88 12.290 -13.195 5.933 1.00 1.00 O ATOM 1371 NE2 GLN A 88 11.890 -14.212 7.842 1.00 1.00 N ATOM 0 H GLN A 88 8.954 -9.546 5.244 1.00 1.00 H new ATOM 0 HA GLN A 88 9.293 -10.115 8.111 1.00 1.00 H new ATOM 0 HB2 GLN A 88 9.552 -11.895 6.314 1.00 1.00 H new ATOM 0 HB3 GLN A 88 10.919 -11.001 5.680 1.00 1.00 H new ATOM 0 HG2 GLN A 88 12.066 -11.176 7.909 1.00 1.00 H new ATOM 0 HG3 GLN A 88 10.699 -12.070 8.542 1.00 1.00 H new ATOM 0 HE21 GLN A 88 11.527 -14.170 8.794 1.00 1.00 H new ATOM 0 HE22 GLN A 88 12.281 -15.083 7.483 1.00 1.00 H new ATOM 1380 N LEU A 89 11.209 -8.640 8.622 1.00 1.00 N ATOM 1381 CA LEU A 89 12.261 -7.675 8.977 1.00 1.00 C ATOM 1382 C LEU A 89 13.447 -8.398 9.586 1.00 1.00 C ATOM 1383 O LEU A 89 13.293 -9.338 10.364 1.00 1.00 O ATOM 1384 CB LEU A 89 11.720 -6.653 9.976 1.00 1.00 C ATOM 1385 CG LEU A 89 10.470 -5.956 9.407 1.00 1.00 C ATOM 1386 CD1 LEU A 89 9.946 -4.960 10.443 1.00 1.00 C ATOM 1387 CD2 LEU A 89 10.800 -5.215 8.089 1.00 1.00 C ATOM 0 H LEU A 89 10.772 -9.096 9.423 1.00 1.00 H new ATOM 0 HA LEU A 89 12.580 -7.159 8.072 1.00 1.00 H new ATOM 0 HB2 LEU A 89 11.472 -7.148 10.915 1.00 1.00 H new ATOM 0 HB3 LEU A 89 12.487 -5.912 10.200 1.00 1.00 H new ATOM 0 HG LEU A 89 9.712 -6.709 9.190 1.00 1.00 H new ATOM 0 HD11 LEU A 89 9.060 -4.460 10.051 1.00 1.00 H new ATOM 0 HD12 LEU A 89 9.688 -5.490 11.360 1.00 1.00 H new ATOM 0 HD13 LEU A 89 10.716 -4.219 10.657 1.00 1.00 H new ATOM 0 HD21 LEU A 89 9.900 -4.732 7.708 1.00 1.00 H new ATOM 0 HD22 LEU A 89 11.565 -4.462 8.277 1.00 1.00 H new ATOM 0 HD23 LEU A 89 11.167 -5.929 7.352 1.00 1.00 H new ATOM 1399 N GLU A 90 14.647 -7.954 9.227 1.00 1.00 N ATOM 1400 CA GLU A 90 15.874 -8.576 9.748 1.00 1.00 C ATOM 1401 C GLU A 90 16.921 -7.520 10.092 1.00 1.00 C ATOM 1402 O GLU A 90 16.963 -6.434 9.515 1.00 1.00 O ATOM 1403 CB GLU A 90 16.439 -9.563 8.713 1.00 1.00 C ATOM 1404 CG GLU A 90 17.634 -10.323 9.312 1.00 1.00 C ATOM 1405 CD GLU A 90 18.107 -11.417 8.359 1.00 1.00 C ATOM 1406 OE1 GLU A 90 17.372 -11.744 7.442 1.00 1.00 O ATOM 1407 OE2 GLU A 90 19.200 -11.919 8.569 1.00 1.00 O ATOM 0 H GLU A 90 14.803 -7.176 8.586 1.00 1.00 H new ATOM 0 HA GLU A 90 15.624 -9.115 10.662 1.00 1.00 H new ATOM 0 HB2 GLU A 90 15.665 -10.267 8.409 1.00 1.00 H new ATOM 0 HB3 GLU A 90 16.751 -9.025 7.817 1.00 1.00 H new ATOM 0 HG2 GLU A 90 18.450 -9.629 9.511 1.00 1.00 H new ATOM 0 HG3 GLU A 90 17.350 -10.764 10.268 1.00 1.00 H new ATOM 1414 N HIS A 91 17.774 -7.862 11.052 1.00 1.00 N ATOM 1415 CA HIS A 91 18.830 -6.956 11.494 1.00 1.00 C ATOM 1416 C HIS A 91 19.890 -6.785 10.406 1.00 1.00 C ATOM 1417 O HIS A 91 20.265 -7.745 9.732 1.00 1.00 O ATOM 1418 CB HIS A 91 19.474 -7.516 12.764 1.00 1.00 C ATOM 1419 CG HIS A 91 18.409 -7.724 13.806 1.00 1.00 C ATOM 1420 ND1 HIS A 91 17.811 -6.665 14.473 1.00 1.00 N ATOM 1421 CD2 HIS A 91 17.819 -8.861 14.303 1.00 1.00 C ATOM 1422 CE1 HIS A 91 16.906 -7.182 15.325 1.00 1.00 C ATOM 1423 NE2 HIS A 91 16.871 -8.516 15.263 1.00 1.00 N ATOM 0 H HIS A 91 17.756 -8.758 11.539 1.00 1.00 H new ATOM 0 HA HIS A 91 18.393 -5.979 11.700 1.00 1.00 H new ATOM 0 HB2 HIS A 91 19.976 -8.459 12.547 1.00 1.00 H new ATOM 0 HB3 HIS A 91 20.234 -6.828 13.135 1.00 1.00 H new ATOM 0 HD2 HIS A 91 18.055 -9.869 13.996 1.00 1.00 H new ATOM 0 HE1 HIS A 91 16.284 -6.590 15.979 1.00 1.00 H new ATOM 0 HE2 HIS A 91 16.278 -9.146 15.803 1.00 1.00 H new ATOM 1432 N HIS A 92 20.372 -5.560 10.237 1.00 1.00 N ATOM 1433 CA HIS A 92 21.385 -5.253 9.230 1.00 1.00 C ATOM 1434 C HIS A 92 22.729 -5.878 9.595 1.00 1.00 C ATOM 1435 O HIS A 92 23.497 -5.339 10.390 1.00 1.00 O ATOM 1436 CB HIS A 92 21.538 -3.733 9.107 1.00 1.00 C ATOM 1437 CG HIS A 92 22.514 -3.395 8.009 1.00 1.00 C ATOM 1438 ND1 HIS A 92 23.512 -2.446 8.177 1.00 1.00 N ATOM 1439 CD2 HIS A 92 22.657 -3.864 6.727 1.00 1.00 C ATOM 1440 CE1 HIS A 92 24.203 -2.376 7.025 1.00 1.00 C ATOM 1441 NE2 HIS A 92 23.724 -3.219 6.107 1.00 1.00 N ATOM 0 H HIS A 92 20.076 -4.755 10.789 1.00 1.00 H new ATOM 0 HA HIS A 92 21.062 -5.671 8.277 1.00 1.00 H new ATOM 0 HB2 HIS A 92 20.570 -3.279 8.896 1.00 1.00 H new ATOM 0 HB3 HIS A 92 21.885 -3.317 10.053 1.00 1.00 H new ATOM 0 HD2 HIS A 92 22.036 -4.619 6.268 1.00 1.00 H new ATOM 0 HE1 HIS A 92 25.044 -1.718 6.862 1.00 1.00 H new ATOM 0 HE2 HIS A 92 24.066 -3.360 5.156 1.00 1.00 H new ATOM 1450 N HIS A 93 23.021 -7.030 8.998 1.00 1.00 N ATOM 1451 CA HIS A 93 24.281 -7.728 9.258 1.00 1.00 C ATOM 1452 C HIS A 93 25.430 -7.042 8.524 1.00 1.00 C ATOM 1453 O HIS A 93 25.605 -7.207 7.316 1.00 1.00 O ATOM 1454 CB HIS A 93 24.172 -9.186 8.805 1.00 1.00 C ATOM 1455 CG HIS A 93 25.430 -9.929 9.170 1.00 1.00 C ATOM 1456 ND1 HIS A 93 26.599 -9.810 8.432 1.00 1.00 N ATOM 1457 CD2 HIS A 93 25.719 -10.798 10.193 1.00 1.00 C ATOM 1458 CE1 HIS A 93 27.527 -10.588 9.016 1.00 1.00 C ATOM 1459 NE2 HIS A 93 27.043 -11.212 10.094 1.00 1.00 N ATOM 0 H HIS A 93 22.407 -7.500 8.333 1.00 1.00 H new ATOM 0 HA HIS A 93 24.482 -7.699 10.329 1.00 1.00 H new ATOM 0 HB2 HIS A 93 23.310 -9.659 9.275 1.00 1.00 H new ATOM 0 HB3 HIS A 93 24.012 -9.231 7.728 1.00 1.00 H new ATOM 0 HD1 HIS A 93 26.730 -9.237 7.599 1.00 1.00 H new ATOM 0 HD2 HIS A 93 25.024 -11.112 10.958 1.00 1.00 H new ATOM 0 HE1 HIS A 93 28.540 -10.696 8.658 1.00 1.00 H new ATOM 1468 N HIS A 94 26.217 -6.264 9.259 1.00 1.00 N ATOM 1469 CA HIS A 94 27.353 -5.559 8.663 1.00 1.00 C ATOM 1470 C HIS A 94 28.298 -5.040 9.745 1.00 1.00 C ATOM 1471 O HIS A 94 27.872 -4.376 10.690 1.00 1.00 O ATOM 1472 CB HIS A 94 26.853 -4.384 7.796 1.00 1.00 C ATOM 1473 CG HIS A 94 27.939 -3.941 6.848 1.00 1.00 C ATOM 1474 ND1 HIS A 94 28.334 -2.616 6.729 1.00 1.00 N ATOM 1475 CD2 HIS A 94 28.724 -4.644 5.970 1.00 1.00 C ATOM 1476 CE1 HIS A 94 29.315 -2.569 5.810 1.00 1.00 C ATOM 1477 NE2 HIS A 94 29.591 -3.778 5.316 1.00 1.00 N ATOM 0 H HIS A 94 26.094 -6.104 10.259 1.00 1.00 H new ATOM 0 HA HIS A 94 27.899 -6.262 8.034 1.00 1.00 H new ATOM 0 HB2 HIS A 94 25.970 -4.687 7.234 1.00 1.00 H new ATOM 0 HB3 HIS A 94 26.555 -3.552 8.434 1.00 1.00 H new ATOM 0 HD1 HIS A 94 27.951 -1.823 7.244 1.00 1.00 H new ATOM 0 HD2 HIS A 94 28.675 -5.711 5.811 1.00 1.00 H new ATOM 0 HE1 HIS A 94 29.819 -1.663 5.508 1.00 1.00 H new ATOM 1486 N HIS A 95 29.585 -5.342 9.605 1.00 1.00 N ATOM 1487 CA HIS A 95 30.579 -4.893 10.570 1.00 1.00 C ATOM 1488 C HIS A 95 30.573 -3.373 10.656 1.00 1.00 C ATOM 1489 O HIS A 95 30.523 -2.803 11.747 1.00 1.00 O ATOM 1490 CB HIS A 95 31.966 -5.381 10.147 1.00 1.00 C ATOM 1491 CG HIS A 95 32.262 -4.899 8.751 1.00 1.00 C ATOM 1492 ND1 HIS A 95 31.633 -5.435 7.635 1.00 1.00 N ATOM 1493 CD2 HIS A 95 33.117 -3.938 8.271 1.00 1.00 C ATOM 1494 CE1 HIS A 95 32.116 -4.798 6.553 1.00 1.00 C ATOM 1495 NE2 HIS A 95 33.022 -3.876 6.884 1.00 1.00 N ATOM 0 H HIS A 95 29.962 -5.894 8.835 1.00 1.00 H new ATOM 0 HA HIS A 95 30.335 -5.305 11.549 1.00 1.00 H new ATOM 0 HB2 HIS A 95 32.721 -5.009 10.840 1.00 1.00 H new ATOM 0 HB3 HIS A 95 32.008 -6.470 10.184 1.00 1.00 H new ATOM 0 HD2 HIS A 95 33.765 -3.323 8.878 1.00 1.00 H new ATOM 0 HE1 HIS A 95 31.808 -5.007 5.539 1.00 1.00 H new ATOM 0 HE2 HIS A 95 33.535 -3.258 6.255 1.00 1.00 H new ATOM 1504 N HIS A 96 30.620 -2.719 9.500 1.00 1.00 N ATOM 1505 CA HIS A 96 30.617 -1.264 9.431 1.00 1.00 C ATOM 1506 C HIS A 96 30.433 -0.815 7.983 1.00 1.00 C ATOM 1507 O HIS A 96 31.405 -0.846 7.248 1.00 1.00 O ATOM 1508 CB HIS A 96 31.933 -0.708 9.982 1.00 1.00 C ATOM 1509 CG HIS A 96 31.900 0.797 9.960 1.00 1.00 C ATOM 1510 ND1 HIS A 96 31.218 1.535 10.916 1.00 1.00 N ATOM 1511 CD2 HIS A 96 32.458 1.716 9.105 1.00 1.00 C ATOM 1512 CE1 HIS A 96 31.381 2.836 10.616 1.00 1.00 C ATOM 1513 NE2 HIS A 96 32.128 3.004 9.522 1.00 1.00 N ATOM 1514 OXT HIS A 96 29.323 -0.453 7.630 1.00 1.00 O ATOM 0 H HIS A 96 30.661 -3.180 8.591 1.00 1.00 H new ATOM 0 HA HIS A 96 29.792 -0.884 10.033 1.00 1.00 H new ATOM 0 HB2 HIS A 96 32.090 -1.063 11.001 1.00 1.00 H new ATOM 0 HB3 HIS A 96 32.770 -1.071 9.386 1.00 1.00 H new ATOM 0 HD2 HIS A 96 33.061 1.477 8.241 1.00 1.00 H new ATOM 0 HE1 HIS A 96 30.959 3.647 11.191 1.00 1.00 H new ATOM 0 HE2 HIS A 96 32.399 3.885 9.086 1.00 1.00 H new TER 1523 HIS A 96