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 52 TYR OH : rot 0:sc= 1.09 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -169:sc= 1.28 (180deg=-0.0724) USER MOD Single : A 1 SER N :NH3+ -108:sc= 0.125 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc=0.000363 USER MOD Single : A 3 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.66) 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+ -173:sc= 0 (180deg=-0.121) USER MOD Single : A 19 ASN : amide:sc= 0.748 K(o=0.75,f=-2.4!) USER MOD Single : A 20 THR OG1 : rot 82:sc= -2.69! USER MOD Single : A 23 ASN : amide:sc=-0.00291 K(o=-0.0029,f=-1) USER MOD Single : A 24 SER OG : rot 22:sc= 0.455 USER MOD Single : A 25 MET CE :methyl 160:sc= -0.206 (180deg=-0.882) USER MOD Single : A 27 MET CE :methyl -143:sc= -0.107 (180deg=-1.11) USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.634 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+ -162:sc= 0.0724 (180deg=-0.213) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.348 K(o=-0.35,f=-1.3) USER MOD Single : A 43 SER OG : rot -52:sc= 0.205 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -99:sc= 1.29 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.21) USER MOD Single : A 76 LYS NZ :NH3+ -130:sc= 0.257 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.144 USER MOD Single : A 86 THR OG1 : rot -63:sc= 1.24 USER MOD Single : A 88 GLN : amide:sc= 1.23 K(o=1.2,f=-0.82) USER MOD Single : A 91 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-0.71) USER MOD Single : A 92 HIS : no HD1:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.0046) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc=-0.00765 X(o=-0.0076,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -21.079 -7.304 -21.208 1.00 0.00 N ATOM 2 CA SER A 1 -20.391 -6.084 -20.743 1.00 0.00 C ATOM 3 C SER A 1 -18.882 -6.234 -20.892 1.00 0.00 C ATOM 4 O SER A 1 -18.374 -7.339 -21.116 1.00 0.00 O ATOM 5 CB SER A 1 -20.743 -5.807 -19.279 1.00 0.00 C ATOM 6 OG SER A 1 -22.142 -5.629 -19.110 1.00 0.00 O ATOM 0 H1 SER A 1 -21.558 -7.110 -22.111 1.00 0.00 H new ATOM 0 H2 SER A 1 -20.383 -8.065 -21.342 1.00 0.00 H new ATOM 0 H3 SER A 1 -21.781 -7.598 -20.500 1.00 0.00 H new ATOM 0 HA SER A 1 -20.723 -5.245 -21.355 1.00 0.00 H new ATOM 0 HB2 SER A 1 -20.402 -6.635 -18.658 1.00 0.00 H new ATOM 0 HB3 SER A 1 -20.217 -4.915 -18.939 1.00 0.00 H new ATOM 0 HG SER A 1 -22.338 -5.455 -18.166 1.00 0.00 H new ATOM 14 N SER A 2 -18.172 -5.121 -20.783 1.00 0.00 N ATOM 15 CA SER A 2 -16.724 -5.129 -20.845 1.00 0.00 C ATOM 16 C SER A 2 -16.149 -5.648 -19.528 1.00 0.00 C ATOM 17 O SER A 2 -16.582 -5.229 -18.452 1.00 0.00 O ATOM 18 CB SER A 2 -16.224 -3.712 -21.119 1.00 0.00 C ATOM 19 OG SER A 2 -17.103 -3.035 -22.005 1.00 0.00 O ATOM 0 H SER A 2 -18.582 -4.196 -20.650 1.00 0.00 H new ATOM 0 HA SER A 2 -16.396 -5.787 -21.650 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.147 -3.160 -20.182 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.223 -3.750 -21.550 1.00 0.00 H new ATOM 0 HG SER A 2 -16.769 -2.128 -22.168 1.00 0.00 H new ATOM 25 N GLN A 3 -15.189 -6.563 -19.616 1.00 0.00 N ATOM 26 CA GLN A 3 -14.551 -7.120 -18.427 1.00 0.00 C ATOM 27 C GLN A 3 -13.836 -6.022 -17.648 1.00 0.00 C ATOM 28 O GLN A 3 -13.871 -5.995 -16.419 1.00 0.00 O ATOM 29 CB GLN A 3 -13.572 -8.230 -18.810 1.00 0.00 C ATOM 30 CG GLN A 3 -14.243 -9.435 -19.452 1.00 0.00 C ATOM 31 CD GLN A 3 -15.195 -10.148 -18.508 1.00 0.00 C ATOM 32 OE1 GLN A 3 -14.985 -10.178 -17.295 1.00 0.00 O ATOM 33 NE2 GLN A 3 -16.253 -10.720 -19.055 1.00 0.00 N ATOM 0 H GLN A 3 -14.835 -6.935 -20.498 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.323 -7.552 -17.791 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.830 -7.827 -19.499 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.036 -8.555 -17.918 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.790 -9.112 -20.338 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.478 -10.135 -19.788 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.393 -10.674 -20.064 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.930 -11.208 -18.468 1.00 0.00 H new ATOM 42 N THR A 4 -13.189 -5.123 -18.371 1.00 0.00 N ATOM 43 CA THR A 4 -12.604 -3.940 -17.768 1.00 0.00 C ATOM 44 C THR A 4 -13.419 -2.712 -18.161 1.00 0.00 C ATOM 45 O THR A 4 -13.396 -2.279 -19.318 1.00 0.00 O ATOM 46 CB THR A 4 -11.136 -3.759 -18.197 1.00 0.00 C ATOM 47 OG1 THR A 4 -10.404 -4.964 -17.937 1.00 0.00 O ATOM 48 CG2 THR A 4 -10.489 -2.599 -17.453 1.00 0.00 C ATOM 0 H THR A 4 -13.056 -5.192 -19.380 1.00 0.00 H new ATOM 0 HA THR A 4 -12.622 -4.062 -16.685 1.00 0.00 H new ATOM 0 HB THR A 4 -11.116 -3.538 -19.264 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.471 -4.846 -18.213 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.453 -2.493 -17.775 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.032 -1.679 -17.670 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.518 -2.793 -16.381 1.00 0.00 H new ATOM 56 N LEU A 5 -14.156 -2.174 -17.203 1.00 0.00 N ATOM 57 CA LEU A 5 -15.063 -1.071 -17.468 1.00 0.00 C ATOM 58 C LEU A 5 -14.394 0.262 -17.140 1.00 0.00 C ATOM 59 O LEU A 5 -13.567 0.344 -16.229 1.00 0.00 O ATOM 60 CB LEU A 5 -16.351 -1.246 -16.656 1.00 0.00 C ATOM 61 CG LEU A 5 -17.498 -0.302 -17.023 1.00 0.00 C ATOM 62 CD1 LEU A 5 -17.877 -0.462 -18.488 1.00 0.00 C ATOM 63 CD2 LEU A 5 -18.702 -0.564 -16.131 1.00 0.00 C ATOM 0 H LEU A 5 -14.143 -2.485 -16.232 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.317 -1.070 -18.528 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.697 -2.273 -16.775 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.115 -1.109 -15.601 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.164 0.724 -16.866 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.694 0.218 -18.729 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.015 -0.230 -19.114 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.193 -1.489 -18.672 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.511 0.114 -16.403 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.034 -1.594 -16.261 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -18.426 -0.400 -15.089 1.00 0.00 H new ATOM 75 N ASP A 6 -14.755 1.295 -17.894 1.00 0.00 N ATOM 76 CA ASP A 6 -14.154 2.620 -17.741 1.00 0.00 C ATOM 77 C ASP A 6 -14.728 3.385 -16.555 1.00 0.00 C ATOM 78 O ASP A 6 -14.264 4.482 -16.242 1.00 0.00 O ATOM 79 CB ASP A 6 -14.341 3.447 -19.016 1.00 0.00 C ATOM 80 CG ASP A 6 -13.286 3.158 -20.063 1.00 0.00 C ATOM 81 OD1 ASP A 6 -13.474 2.220 -20.869 1.00 0.00 O ATOM 82 OD2 ASP A 6 -12.261 3.873 -20.086 1.00 0.00 O ATOM 0 H ASP A 6 -15.466 1.241 -18.623 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.092 2.461 -17.556 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.327 3.243 -19.434 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -14.315 4.507 -18.763 1.00 0.00 H new ATOM 87 N ARG A 7 -15.734 2.816 -15.901 1.00 0.00 N ATOM 88 CA ARG A 7 -16.331 3.456 -14.734 1.00 0.00 C ATOM 89 C ARG A 7 -15.374 3.417 -13.552 1.00 0.00 C ATOM 90 O ARG A 7 -14.741 4.419 -13.220 1.00 0.00 O ATOM 91 CB ARG A 7 -17.649 2.782 -14.338 1.00 0.00 C ATOM 92 CG ARG A 7 -18.795 3.031 -15.301 1.00 0.00 C ATOM 93 CD ARG A 7 -20.108 2.520 -14.725 1.00 0.00 C ATOM 94 NE ARG A 7 -21.241 2.785 -15.607 1.00 0.00 N ATOM 95 CZ ARG A 7 -22.472 3.059 -15.178 1.00 0.00 C ATOM 96 NH1 ARG A 7 -22.733 3.111 -13.877 1.00 0.00 N ATOM 97 NH2 ARG A 7 -23.444 3.286 -16.047 1.00 0.00 N ATOM 0 H ARG A 7 -16.151 1.921 -16.156 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.535 4.492 -15.004 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.484 1.707 -14.259 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -17.940 3.134 -13.348 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.875 4.098 -15.509 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.592 2.535 -16.250 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.031 1.447 -14.548 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -20.285 2.991 -13.758 1.00 0.00 H new ATOM 0 HE ARG A 7 -21.080 2.759 -16.614 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -21.989 2.941 -13.200 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -23.677 3.321 -13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -23.251 3.251 -17.048 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -24.386 3.496 -15.716 1.00 0.00 H new ATOM 111 N ASP A 8 -15.266 2.247 -12.940 1.00 0.00 N ATOM 112 CA ASP A 8 -14.454 2.065 -11.744 1.00 0.00 C ATOM 113 C ASP A 8 -12.971 2.143 -12.072 1.00 0.00 C ATOM 114 O ASP A 8 -12.455 1.319 -12.832 1.00 0.00 O ATOM 115 CB ASP A 8 -14.750 0.708 -11.106 1.00 0.00 C ATOM 116 CG ASP A 8 -16.225 0.479 -10.860 1.00 0.00 C ATOM 117 OD1 ASP A 8 -16.925 0.040 -11.796 1.00 0.00 O ATOM 118 OD2 ASP A 8 -16.684 0.706 -9.721 1.00 0.00 O ATOM 0 H ASP A 8 -15.737 1.399 -13.256 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.706 2.865 -11.048 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.368 -0.082 -11.753 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.214 0.633 -10.160 1.00 0.00 H new ATOM 123 N PRO A 9 -12.265 3.137 -11.522 1.00 0.00 N ATOM 124 CA PRO A 9 -10.823 3.258 -11.675 1.00 0.00 C ATOM 125 C PRO A 9 -10.077 2.260 -10.795 1.00 0.00 C ATOM 126 O PRO A 9 -10.193 2.282 -9.564 1.00 0.00 O ATOM 127 CB PRO A 9 -10.520 4.700 -11.232 1.00 0.00 C ATOM 128 CG PRO A 9 -11.850 5.351 -11.024 1.00 0.00 C ATOM 129 CD PRO A 9 -12.811 4.240 -10.725 1.00 0.00 C ATOM 0 HA PRO A 9 -10.502 3.048 -12.695 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.931 4.712 -10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.940 5.228 -11.989 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.811 6.065 -10.201 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.157 5.904 -11.912 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.838 4.000 -9.662 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.829 4.491 -11.021 1.00 0.00 H new ATOM 137 N THR A 10 -9.323 1.373 -11.428 1.00 0.00 N ATOM 138 CA THR A 10 -8.505 0.421 -10.702 1.00 0.00 C ATOM 139 C THR A 10 -7.149 1.047 -10.415 1.00 0.00 C ATOM 140 O THR A 10 -6.230 0.985 -11.235 1.00 0.00 O ATOM 141 CB THR A 10 -8.317 -0.885 -11.503 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.565 -1.276 -12.099 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.817 -2.004 -10.599 1.00 0.00 C ATOM 0 H THR A 10 -9.263 1.295 -12.443 1.00 0.00 H new ATOM 0 HA THR A 10 -9.010 0.172 -9.769 1.00 0.00 H new ATOM 0 HB THR A 10 -7.577 -0.705 -12.283 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.439 -2.104 -12.607 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.691 -2.915 -11.184 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.860 -1.718 -10.162 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.541 -2.180 -9.804 1.00 0.00 H new ATOM 151 N LEU A 11 -7.038 1.672 -9.254 1.00 0.00 N ATOM 152 CA LEU A 11 -5.873 2.473 -8.930 1.00 0.00 C ATOM 153 C LEU A 11 -4.743 1.611 -8.386 1.00 0.00 C ATOM 154 O LEU A 11 -4.911 0.889 -7.404 1.00 0.00 O ATOM 155 CB LEU A 11 -6.248 3.561 -7.921 1.00 0.00 C ATOM 156 CG LEU A 11 -5.116 4.512 -7.535 1.00 0.00 C ATOM 157 CD1 LEU A 11 -4.522 5.160 -8.776 1.00 0.00 C ATOM 158 CD2 LEU A 11 -5.617 5.571 -6.567 1.00 0.00 C ATOM 0 H LEU A 11 -7.744 1.639 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.520 2.944 -9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.069 4.148 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.622 3.081 -7.016 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.334 3.937 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.717 5.835 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.127 4.388 -9.436 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.296 5.723 -9.298 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.798 6.239 -6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.416 6.144 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.997 5.090 -5.666 1.00 0.00 H new ATOM 170 N THR A 12 -3.599 1.684 -9.041 1.00 0.00 N ATOM 171 CA THR A 12 -2.415 0.977 -8.592 1.00 0.00 C ATOM 172 C THR A 12 -1.451 1.951 -7.919 1.00 0.00 C ATOM 173 O THR A 12 -0.983 2.906 -8.541 1.00 0.00 O ATOM 174 CB THR A 12 -1.711 0.277 -9.769 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.652 -0.544 -10.475 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.552 -0.580 -9.281 1.00 0.00 C ATOM 0 H THR A 12 -3.465 2.230 -9.892 1.00 0.00 H new ATOM 0 HA THR A 12 -2.724 0.217 -7.874 1.00 0.00 H new ATOM 0 HB THR A 12 -1.315 1.043 -10.436 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.202 -0.987 -11.224 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.073 -1.063 -10.133 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.173 0.049 -8.765 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.925 -1.341 -8.596 1.00 0.00 H new ATOM 184 N LEU A 13 -1.184 1.722 -6.645 1.00 0.00 N ATOM 185 CA LEU A 13 -0.289 2.582 -5.886 1.00 0.00 C ATOM 186 C LEU A 13 0.888 1.780 -5.358 1.00 0.00 C ATOM 187 O LEU A 13 0.737 0.625 -4.966 1.00 0.00 O ATOM 188 CB LEU A 13 -1.033 3.241 -4.722 1.00 0.00 C ATOM 189 CG LEU A 13 -2.223 4.116 -5.116 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.887 4.700 -3.881 1.00 0.00 C ATOM 191 CD2 LEU A 13 -1.782 5.225 -6.054 1.00 0.00 C ATOM 0 H LEU A 13 -1.575 0.945 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 13 0.081 3.363 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.386 2.459 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.326 3.851 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.949 3.492 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.732 5.320 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.239 3.891 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.167 5.308 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.643 5.837 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.036 5.846 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.350 4.789 -6.955 1.00 0.00 H new ATOM 203 N SER A 14 2.060 2.383 -5.372 1.00 0.00 N ATOM 204 CA SER A 14 3.243 1.740 -4.834 1.00 0.00 C ATOM 205 C SER A 14 3.204 1.753 -3.309 1.00 0.00 C ATOM 206 O SER A 14 2.856 2.766 -2.693 1.00 0.00 O ATOM 207 CB SER A 14 4.501 2.454 -5.337 1.00 0.00 C ATOM 208 OG SER A 14 5.683 1.774 -4.938 1.00 0.00 O ATOM 0 H SER A 14 2.219 3.317 -5.750 1.00 0.00 H new ATOM 0 HA SER A 14 3.266 0.704 -5.173 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.470 2.524 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.520 3.474 -4.952 1.00 0.00 H new ATOM 0 HG SER A 14 6.467 2.255 -5.277 1.00 0.00 H new ATOM 214 N LEU A 15 3.533 0.620 -2.705 1.00 0.00 N ATOM 215 CA LEU A 15 3.653 0.539 -1.259 1.00 0.00 C ATOM 216 C LEU A 15 5.003 1.107 -0.838 1.00 0.00 C ATOM 217 O LEU A 15 6.028 0.782 -1.436 1.00 0.00 O ATOM 218 CB LEU A 15 3.516 -0.916 -0.795 1.00 0.00 C ATOM 219 CG LEU A 15 3.544 -1.135 0.719 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.336 -0.489 1.376 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.594 -2.621 1.039 1.00 0.00 C ATOM 0 H LEU A 15 3.721 -0.255 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 15 2.856 1.120 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.579 -1.315 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.321 -1.498 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 15 4.443 -0.664 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.375 -0.656 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.342 0.582 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.424 -0.929 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.613 -2.760 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.713 -3.112 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.492 -3.058 0.601 1.00 0.00 H new ATOM 233 N ILE A 16 5.001 1.981 0.155 1.00 0.00 N ATOM 234 CA ILE A 16 6.234 2.594 0.624 1.00 0.00 C ATOM 235 C ILE A 16 6.385 2.447 2.133 1.00 0.00 C ATOM 236 O ILE A 16 5.400 2.417 2.875 1.00 0.00 O ATOM 237 CB ILE A 16 6.319 4.095 0.258 1.00 0.00 C ATOM 238 CG1 ILE A 16 5.153 4.874 0.879 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.343 4.276 -1.254 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.269 6.375 0.716 1.00 0.00 C ATOM 0 H ILE A 16 4.162 2.282 0.651 1.00 0.00 H new ATOM 0 HA ILE A 16 7.044 2.066 0.120 1.00 0.00 H new ATOM 0 HB ILE A 16 7.248 4.494 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.221 4.539 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.093 4.636 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.403 5.338 -1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.210 3.762 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.433 3.858 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.409 6.859 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.184 6.723 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.298 6.625 -0.345 1.00 0.00 H new ATOM 252 N ALA A 17 7.626 2.347 2.575 1.00 0.00 N ATOM 253 CA ALA A 17 7.934 2.289 3.991 1.00 0.00 C ATOM 254 C ALA A 17 8.042 3.702 4.544 1.00 0.00 C ATOM 255 O ALA A 17 8.994 4.423 4.236 1.00 0.00 O ATOM 256 CB ALA A 17 9.225 1.520 4.213 1.00 0.00 C ATOM 0 H ALA A 17 8.443 2.304 1.966 1.00 0.00 H new ATOM 0 HA ALA A 17 7.135 1.767 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.447 1.482 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.115 0.506 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.041 2.019 3.690 1.00 0.00 H new ATOM 262 N LYS A 18 7.065 4.105 5.342 1.00 0.00 N ATOM 263 CA LYS A 18 7.011 5.476 5.823 1.00 0.00 C ATOM 264 C LYS A 18 7.605 5.580 7.216 1.00 0.00 C ATOM 265 O LYS A 18 8.659 6.183 7.416 1.00 0.00 O ATOM 266 CB LYS A 18 5.567 5.981 5.837 1.00 0.00 C ATOM 267 CG LYS A 18 5.441 7.457 6.178 1.00 0.00 C ATOM 268 CD LYS A 18 6.102 8.336 5.128 1.00 0.00 C ATOM 269 CE LYS A 18 6.093 9.804 5.535 1.00 0.00 C ATOM 270 NZ LYS A 18 4.718 10.314 5.777 1.00 0.00 N ATOM 0 H LYS A 18 6.305 3.508 5.668 1.00 0.00 H new ATOM 0 HA LYS A 18 7.598 6.096 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.119 5.803 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.995 5.400 6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.387 7.722 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.897 7.646 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.130 8.008 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.583 8.219 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.690 9.932 6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.566 10.398 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.752 11.341 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.121 10.110 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.318 9.848 6.616 1.00 0.00 H new ATOM 284 N ASN A 19 6.930 4.968 8.166 1.00 0.00 N ATOM 285 CA ASN A 19 7.336 5.020 9.563 1.00 0.00 C ATOM 286 C ASN A 19 8.390 3.959 9.835 1.00 0.00 C ATOM 287 O ASN A 19 8.211 3.097 10.689 1.00 0.00 O ATOM 288 CB ASN A 19 6.125 4.797 10.474 1.00 0.00 C ATOM 289 CG ASN A 19 5.123 5.940 10.449 1.00 0.00 C ATOM 290 OD1 ASN A 19 5.039 6.702 9.484 1.00 0.00 O ATOM 291 ND2 ASN A 19 4.325 6.034 11.499 1.00 0.00 N ATOM 0 H ASN A 19 6.086 4.421 7.997 1.00 0.00 H new ATOM 0 HA ASN A 19 7.757 6.004 9.771 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.621 3.877 10.176 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.473 4.653 11.497 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.607 6.757 11.530 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.428 5.383 12.277 1.00 0.00 H new ATOM 298 N THR A 20 9.481 4.020 9.098 1.00 0.00 N ATOM 299 CA THR A 20 10.513 3.004 9.179 1.00 0.00 C ATOM 300 C THR A 20 11.821 3.570 9.730 1.00 0.00 C ATOM 301 O THR A 20 12.355 4.551 9.206 1.00 0.00 O ATOM 302 CB THR A 20 10.758 2.388 7.791 1.00 0.00 C ATOM 303 OG1 THR A 20 9.512 1.926 7.256 1.00 0.00 O ATOM 304 CG2 THR A 20 11.747 1.232 7.862 1.00 0.00 C ATOM 0 H THR A 20 9.677 4.767 8.432 1.00 0.00 H new ATOM 0 HA THR A 20 10.164 2.233 9.866 1.00 0.00 H new ATOM 0 HB THR A 20 11.185 3.154 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.029 2.678 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.897 0.820 6.864 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.699 1.591 8.253 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.354 0.457 8.519 1.00 0.00 H new ATOM 312 N PRO A 21 12.337 2.967 10.812 1.00 0.00 N ATOM 313 CA PRO A 21 13.635 3.331 11.384 1.00 0.00 C ATOM 314 C PRO A 21 14.784 2.950 10.453 1.00 0.00 C ATOM 315 O PRO A 21 14.715 1.938 9.753 1.00 0.00 O ATOM 316 CB PRO A 21 13.708 2.520 12.688 1.00 0.00 C ATOM 317 CG PRO A 21 12.322 2.022 12.929 1.00 0.00 C ATOM 318 CD PRO A 21 11.691 1.889 11.575 1.00 0.00 C ATOM 0 HA PRO A 21 13.726 4.405 11.543 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.411 1.692 12.596 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.051 3.140 13.516 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.336 1.064 13.449 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.761 2.716 13.555 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.881 0.910 11.134 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.609 2.015 11.618 1.00 0.00 H new ATOM 326 N ALA A 22 15.844 3.748 10.461 1.00 0.00 N ATOM 327 CA ALA A 22 16.970 3.541 9.552 1.00 0.00 C ATOM 328 C ALA A 22 17.847 2.371 9.992 1.00 0.00 C ATOM 329 O ALA A 22 18.680 1.887 9.228 1.00 0.00 O ATOM 330 CB ALA A 22 17.801 4.810 9.445 1.00 0.00 C ATOM 0 H ALA A 22 15.950 4.546 11.087 1.00 0.00 H new ATOM 0 HA ALA A 22 16.561 3.296 8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.636 4.642 8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.180 5.620 9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.183 5.079 10.430 1.00 0.00 H new ATOM 336 N ASN A 23 17.651 1.920 11.225 1.00 0.00 N ATOM 337 CA ASN A 23 18.424 0.800 11.759 1.00 0.00 C ATOM 338 C ASN A 23 17.734 -0.525 11.452 1.00 0.00 C ATOM 339 O ASN A 23 18.199 -1.592 11.853 1.00 0.00 O ATOM 340 CB ASN A 23 18.629 0.954 13.269 1.00 0.00 C ATOM 341 CG ASN A 23 19.562 2.100 13.615 1.00 0.00 C ATOM 342 OD1 ASN A 23 20.478 2.419 12.860 1.00 0.00 O ATOM 343 ND2 ASN A 23 19.326 2.740 14.749 1.00 0.00 N ATOM 0 H ASN A 23 16.967 2.309 11.874 1.00 0.00 H new ATOM 0 HA ASN A 23 19.401 0.802 11.276 1.00 0.00 H new ATOM 0 HB2 ASN A 23 17.664 1.118 13.749 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.033 0.026 13.674 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.914 3.527 15.022 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.556 2.446 15.350 1.00 0.00 H new ATOM 350 N SER A 24 16.623 -0.450 10.737 1.00 0.00 N ATOM 351 CA SER A 24 15.892 -1.636 10.328 1.00 0.00 C ATOM 352 C SER A 24 15.684 -1.630 8.820 1.00 0.00 C ATOM 353 O SER A 24 15.118 -0.688 8.266 1.00 0.00 O ATOM 354 CB SER A 24 14.554 -1.712 11.065 1.00 0.00 C ATOM 355 OG SER A 24 13.945 -0.434 11.151 1.00 0.00 O ATOM 0 H SER A 24 16.206 0.428 10.426 1.00 0.00 H new ATOM 0 HA SER A 24 16.474 -2.520 10.588 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.888 -2.401 10.546 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.709 -2.112 12.067 1.00 0.00 H new ATOM 0 HG SER A 24 14.309 0.149 10.453 1.00 0.00 H new ATOM 361 N MET A 25 16.150 -2.677 8.159 1.00 0.00 N ATOM 362 CA MET A 25 16.098 -2.746 6.708 1.00 0.00 C ATOM 363 C MET A 25 15.159 -3.854 6.257 1.00 0.00 C ATOM 364 O MET A 25 15.289 -5.001 6.680 1.00 0.00 O ATOM 365 CB MET A 25 17.502 -2.976 6.142 1.00 0.00 C ATOM 366 CG MET A 25 17.533 -3.176 4.636 1.00 0.00 C ATOM 367 SD MET A 25 19.208 -3.378 3.995 1.00 0.00 S ATOM 368 CE MET A 25 19.789 -4.742 5.002 1.00 0.00 C ATOM 0 H MET A 25 16.569 -3.493 8.605 1.00 0.00 H new ATOM 0 HA MET A 25 15.716 -1.798 6.329 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.131 -2.123 6.399 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.939 -3.851 6.624 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.941 -4.054 4.378 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.063 -2.321 4.150 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.640 -5.217 4.515 1.00 0.00 H new ATOM 0 HE2 MET A 25 20.092 -4.369 5.980 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.988 -5.471 5.124 1.00 0.00 H new ATOM 378 N ILE A 26 14.212 -3.506 5.400 1.00 0.00 N ATOM 379 CA ILE A 26 13.247 -4.470 4.895 1.00 0.00 C ATOM 380 C ILE A 26 13.881 -5.340 3.812 1.00 0.00 C ATOM 381 O ILE A 26 14.541 -4.829 2.908 1.00 0.00 O ATOM 382 CB ILE A 26 12.003 -3.765 4.314 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.501 -2.683 5.275 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.900 -4.776 4.040 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.313 -1.907 4.748 1.00 0.00 C ATOM 0 H ILE A 26 14.091 -2.560 5.039 1.00 0.00 H new ATOM 0 HA ILE A 26 12.937 -5.094 5.733 1.00 0.00 H new ATOM 0 HB ILE A 26 12.285 -3.291 3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.229 -3.148 6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.315 -1.988 5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.030 -4.263 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.255 -5.517 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.624 -5.274 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.013 -1.159 5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.586 -1.412 3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.483 -2.590 4.567 1.00 0.00 H new ATOM 397 N MET A 27 13.698 -6.649 3.918 1.00 0.00 N ATOM 398 CA MET A 27 14.217 -7.579 2.917 1.00 0.00 C ATOM 399 C MET A 27 13.156 -7.878 1.866 1.00 0.00 C ATOM 400 O MET A 27 13.468 -8.224 0.727 1.00 0.00 O ATOM 401 CB MET A 27 14.681 -8.883 3.571 1.00 0.00 C ATOM 402 CG MET A 27 15.910 -8.725 4.451 1.00 0.00 C ATOM 403 SD MET A 27 16.455 -10.285 5.175 1.00 0.00 S ATOM 404 CE MET A 27 15.054 -10.693 6.214 1.00 0.00 C ATOM 0 H MET A 27 13.195 -7.094 4.686 1.00 0.00 H new ATOM 0 HA MET A 27 15.073 -7.108 2.434 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.866 -9.288 4.171 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.896 -9.613 2.791 1.00 0.00 H new ATOM 0 HG2 MET A 27 16.722 -8.300 3.861 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.691 -8.016 5.249 1.00 0.00 H new ATOM 0 HE1 MET A 27 15.407 -11.154 7.136 1.00 0.00 H new ATOM 0 HE2 MET A 27 14.500 -9.785 6.451 1.00 0.00 H new ATOM 0 HE3 MET A 27 14.401 -11.389 5.687 1.00 0.00 H new ATOM 414 N THR A 28 11.901 -7.748 2.259 1.00 0.00 N ATOM 415 CA THR A 28 10.792 -7.975 1.359 1.00 0.00 C ATOM 416 C THR A 28 10.501 -6.728 0.535 1.00 0.00 C ATOM 417 O THR A 28 10.187 -5.673 1.086 1.00 0.00 O ATOM 418 CB THR A 28 9.537 -8.376 2.148 1.00 0.00 C ATOM 419 OG1 THR A 28 9.440 -7.581 3.337 1.00 0.00 O ATOM 420 CG2 THR A 28 9.572 -9.849 2.515 1.00 0.00 C ATOM 0 H THR A 28 11.627 -7.484 3.205 1.00 0.00 H new ATOM 0 HA THR A 28 11.066 -8.786 0.684 1.00 0.00 H new ATOM 0 HB THR A 28 8.664 -8.202 1.519 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.208 -6.660 3.096 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.672 -10.106 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.620 -10.449 1.606 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.450 -10.050 3.129 1.00 0.00 H new ATOM 428 N LYS A 29 10.629 -6.845 -0.779 1.00 0.00 N ATOM 429 CA LYS A 29 10.341 -5.731 -1.667 1.00 0.00 C ATOM 430 C LYS A 29 8.856 -5.408 -1.641 1.00 0.00 C ATOM 431 O LYS A 29 8.013 -6.306 -1.552 1.00 0.00 O ATOM 432 CB LYS A 29 10.811 -6.040 -3.087 1.00 0.00 C ATOM 433 CG LYS A 29 12.312 -6.246 -3.179 1.00 0.00 C ATOM 434 CD LYS A 29 12.772 -6.448 -4.611 1.00 0.00 C ATOM 435 CE LYS A 29 14.270 -6.686 -4.673 1.00 0.00 C ATOM 436 NZ LYS A 29 14.753 -6.849 -6.068 1.00 0.00 N ATOM 0 H LYS A 29 10.929 -7.698 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 29 10.887 -4.855 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.303 -6.935 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.520 -5.223 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.823 -5.383 -2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.596 -7.112 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.247 -7.297 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.514 -5.572 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.789 -5.849 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.519 -7.577 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.781 -7.009 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.278 -7.663 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.539 -5.989 -6.612 1.00 0.00 H new ATOM 450 N LEU A 30 8.545 -4.126 -1.716 1.00 0.00 N ATOM 451 CA LEU A 30 7.184 -3.659 -1.523 1.00 0.00 C ATOM 452 C LEU A 30 6.395 -3.709 -2.827 1.00 0.00 C ATOM 453 O LEU A 30 6.758 -3.062 -3.813 1.00 0.00 O ATOM 454 CB LEU A 30 7.202 -2.239 -0.954 1.00 0.00 C ATOM 455 CG LEU A 30 7.959 -2.091 0.370 1.00 0.00 C ATOM 456 CD1 LEU A 30 7.962 -0.643 0.828 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.349 -2.985 1.440 1.00 0.00 C ATOM 0 H LEU A 30 9.220 -3.387 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 30 6.687 -4.320 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.651 -1.572 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.174 -1.907 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 30 8.991 -2.402 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.505 -0.560 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.448 -0.024 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.936 -0.304 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.901 -2.865 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.307 -2.706 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.402 -4.025 1.118 1.00 0.00 H new ATOM 469 N PRO A 31 5.307 -4.497 -2.852 1.00 0.00 N ATOM 470 CA PRO A 31 4.467 -4.652 -4.039 1.00 0.00 C ATOM 471 C PRO A 31 3.591 -3.429 -4.298 1.00 0.00 C ATOM 472 O PRO A 31 3.576 -2.474 -3.516 1.00 0.00 O ATOM 473 CB PRO A 31 3.583 -5.869 -3.716 1.00 0.00 C ATOM 474 CG PRO A 31 4.089 -6.422 -2.424 1.00 0.00 C ATOM 475 CD PRO A 31 4.808 -5.302 -1.733 1.00 0.00 C ATOM 0 HA PRO A 31 5.072 -4.774 -4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.536 -5.578 -3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.643 -6.615 -4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.266 -6.791 -1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.759 -7.264 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.141 -4.729 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.620 -5.669 -1.105 1.00 0.00 H new ATOM 483 N SER A 32 2.869 -3.460 -5.403 1.00 0.00 N ATOM 484 CA SER A 32 1.948 -2.393 -5.736 1.00 0.00 C ATOM 485 C SER A 32 0.532 -2.789 -5.331 1.00 0.00 C ATOM 486 O SER A 32 0.059 -3.872 -5.678 1.00 0.00 O ATOM 487 CB SER A 32 2.007 -2.108 -7.235 1.00 0.00 C ATOM 488 OG SER A 32 3.351 -1.970 -7.679 1.00 0.00 O ATOM 0 H SER A 32 2.904 -4.216 -6.086 1.00 0.00 H new ATOM 0 HA SER A 32 2.231 -1.491 -5.194 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.522 -2.917 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.452 -1.196 -7.457 1.00 0.00 H new ATOM 0 HG SER A 32 3.360 -1.790 -8.642 1.00 0.00 H new ATOM 494 N VAL A 33 -0.131 -1.919 -4.587 1.00 0.00 N ATOM 495 CA VAL A 33 -1.491 -2.175 -4.148 1.00 0.00 C ATOM 496 C VAL A 33 -2.478 -1.728 -5.224 1.00 0.00 C ATOM 497 O VAL A 33 -2.383 -0.616 -5.749 1.00 0.00 O ATOM 498 CB VAL A 33 -1.795 -1.469 -2.798 1.00 0.00 C ATOM 499 CG1 VAL A 33 -1.617 0.038 -2.903 1.00 0.00 C ATOM 500 CG2 VAL A 33 -3.194 -1.806 -2.306 1.00 0.00 C ATOM 0 H VAL A 33 0.253 -1.027 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.601 -3.248 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.075 -1.842 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.838 0.498 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.589 0.264 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.296 0.433 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.379 -1.298 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.927 -1.479 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.280 -2.883 -2.163 1.00 0.00 H new ATOM 510 N ARG A 34 -3.398 -2.610 -5.580 1.00 0.00 N ATOM 511 CA ARG A 34 -4.384 -2.297 -6.599 1.00 0.00 C ATOM 512 C ARG A 34 -5.764 -2.210 -5.972 1.00 0.00 C ATOM 513 O ARG A 34 -6.337 -3.218 -5.552 1.00 0.00 O ATOM 514 CB ARG A 34 -4.361 -3.340 -7.721 1.00 0.00 C ATOM 515 CG ARG A 34 -3.013 -3.442 -8.416 1.00 0.00 C ATOM 516 CD ARG A 34 -3.066 -4.353 -9.633 1.00 0.00 C ATOM 517 NE ARG A 34 -3.518 -5.703 -9.300 1.00 0.00 N ATOM 518 CZ ARG A 34 -2.722 -6.772 -9.265 1.00 0.00 C ATOM 519 NH1 ARG A 34 -1.420 -6.647 -9.501 1.00 0.00 N ATOM 520 NH2 ARG A 34 -3.228 -7.968 -8.992 1.00 0.00 N ATOM 0 H ARG A 34 -3.482 -3.544 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.137 -1.331 -7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.624 -4.314 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.124 -3.089 -8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.687 -2.448 -8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.270 -3.819 -7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.736 -3.922 -10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.077 -4.406 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.505 -5.835 -9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.025 -5.730 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.815 -7.468 -9.473 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.226 -8.070 -8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.619 -8.786 -8.965 1.00 0.00 H new ATOM 534 N VAL A 35 -6.280 -0.998 -5.892 1.00 0.00 N ATOM 535 CA VAL A 35 -7.552 -0.752 -5.242 1.00 0.00 C ATOM 536 C VAL A 35 -8.624 -0.382 -6.258 1.00 0.00 C ATOM 537 O VAL A 35 -8.352 0.286 -7.256 1.00 0.00 O ATOM 538 CB VAL A 35 -7.443 0.367 -4.180 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.465 -0.026 -3.085 1.00 0.00 C ATOM 540 CG2 VAL A 35 -7.026 1.689 -4.811 1.00 0.00 C ATOM 0 H VAL A 35 -5.834 -0.163 -6.272 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.836 -1.679 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.430 0.500 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.403 0.775 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.809 -0.939 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.480 -0.196 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.958 2.455 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.055 1.572 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.766 1.987 -5.554 1.00 0.00 H new ATOM 550 N LYS A 36 -9.840 -0.832 -6.010 1.00 0.00 N ATOM 551 CA LYS A 36 -10.964 -0.466 -6.844 1.00 0.00 C ATOM 552 C LYS A 36 -11.723 0.650 -6.152 1.00 0.00 C ATOM 553 O LYS A 36 -12.151 0.495 -5.009 1.00 0.00 O ATOM 554 CB LYS A 36 -11.863 -1.683 -7.087 1.00 0.00 C ATOM 555 CG LYS A 36 -12.980 -1.448 -8.091 1.00 0.00 C ATOM 556 CD LYS A 36 -13.609 -2.767 -8.514 1.00 0.00 C ATOM 557 CE LYS A 36 -14.738 -2.574 -9.517 1.00 0.00 C ATOM 558 NZ LYS A 36 -15.940 -1.950 -8.901 1.00 0.00 N ATOM 0 H LYS A 36 -10.072 -1.453 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.619 -0.119 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.246 -2.511 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.303 -1.990 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.740 -0.801 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.587 -0.930 -8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.844 -3.408 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.992 -3.283 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.388 -1.949 -10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.011 -3.539 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.766 -2.112 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.111 -2.374 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.784 -0.927 -8.794 1.00 0.00 H new ATOM 572 N THR A 37 -11.851 1.781 -6.816 1.00 0.00 N ATOM 573 CA THR A 37 -12.456 2.946 -6.198 1.00 0.00 C ATOM 574 C THR A 37 -13.859 3.199 -6.733 1.00 0.00 C ATOM 575 O THR A 37 -14.219 2.721 -7.812 1.00 0.00 O ATOM 576 CB THR A 37 -11.581 4.197 -6.408 1.00 0.00 C ATOM 577 OG1 THR A 37 -11.234 4.329 -7.792 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.313 4.120 -5.567 1.00 0.00 C ATOM 0 H THR A 37 -11.546 1.919 -7.779 1.00 0.00 H new ATOM 0 HA THR A 37 -12.530 2.741 -5.130 1.00 0.00 H new ATOM 0 HB THR A 37 -12.155 5.069 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.679 5.127 -7.915 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.712 5.014 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.580 4.052 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.739 3.239 -5.854 1.00 0.00 H new ATOM 586 N GLU A 38 -14.648 3.938 -5.966 1.00 0.00 N ATOM 587 CA GLU A 38 -16.006 4.271 -6.353 1.00 0.00 C ATOM 588 C GLU A 38 -16.106 5.767 -6.620 1.00 0.00 C ATOM 589 O GLU A 38 -16.014 6.580 -5.694 1.00 0.00 O ATOM 590 CB GLU A 38 -16.998 3.859 -5.261 1.00 0.00 C ATOM 591 CG GLU A 38 -18.451 3.953 -5.694 1.00 0.00 C ATOM 592 CD GLU A 38 -19.422 3.606 -4.583 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.645 2.406 -4.336 1.00 0.00 O ATOM 594 OE2 GLU A 38 -19.984 4.533 -3.962 1.00 0.00 O ATOM 0 H GLU A 38 -14.365 4.320 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 38 -16.258 3.724 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.784 2.835 -4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.846 4.491 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.655 4.964 -6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.617 3.283 -6.537 1.00 0.00 H new ATOM 601 N GLY A 39 -16.267 6.122 -7.882 1.00 0.00 N ATOM 602 CA GLY A 39 -16.355 7.517 -8.256 1.00 0.00 C ATOM 603 C GLY A 39 -15.596 7.808 -9.531 1.00 0.00 C ATOM 604 O GLY A 39 -15.562 6.977 -10.440 1.00 0.00 O ATOM 0 H GLY A 39 -16.339 5.466 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.402 7.793 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.960 8.135 -7.449 1.00 0.00 H new ATOM 608 N TYR A 40 -14.986 8.982 -9.603 1.00 0.00 N ATOM 609 CA TYR A 40 -14.223 9.375 -10.777 1.00 0.00 C ATOM 610 C TYR A 40 -13.171 10.409 -10.395 1.00 0.00 C ATOM 611 O TYR A 40 -13.500 11.506 -9.951 1.00 0.00 O ATOM 612 CB TYR A 40 -15.160 9.945 -11.847 1.00 0.00 C ATOM 613 CG TYR A 40 -14.519 10.114 -13.207 1.00 0.00 C ATOM 614 CD1 TYR A 40 -13.881 11.298 -13.559 1.00 0.00 C ATOM 615 CD2 TYR A 40 -14.563 9.090 -14.143 1.00 0.00 C ATOM 616 CE1 TYR A 40 -13.308 11.454 -14.806 1.00 0.00 C ATOM 617 CE2 TYR A 40 -13.991 9.237 -15.391 1.00 0.00 C ATOM 618 CZ TYR A 40 -13.364 10.420 -15.718 1.00 0.00 C ATOM 619 OH TYR A 40 -12.803 10.574 -16.967 1.00 0.00 O ATOM 0 H TYR A 40 -15.005 9.680 -8.860 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.721 8.496 -11.182 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -16.024 9.288 -11.944 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.532 10.913 -11.510 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.833 12.108 -12.846 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -15.054 8.162 -13.891 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.818 12.381 -15.066 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -14.035 8.430 -16.107 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.929 9.752 -17.486 1.00 0.00 H new ATOM 629 N ASN A 41 -11.908 10.041 -10.553 1.00 0.00 N ATOM 630 CA ASN A 41 -10.795 10.935 -10.246 1.00 0.00 C ATOM 631 C ASN A 41 -10.357 11.708 -11.489 1.00 0.00 C ATOM 632 O ASN A 41 -9.725 11.152 -12.385 1.00 0.00 O ATOM 633 CB ASN A 41 -9.614 10.146 -9.664 1.00 0.00 C ATOM 634 CG ASN A 41 -9.510 8.736 -10.225 1.00 0.00 C ATOM 635 OD1 ASN A 41 -10.052 7.795 -9.653 1.00 0.00 O ATOM 636 ND2 ASN A 41 -8.838 8.580 -11.353 1.00 0.00 N ATOM 0 H ASN A 41 -11.624 9.123 -10.895 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.135 11.653 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.688 10.683 -9.870 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.717 10.094 -8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.758 7.655 -11.775 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.400 9.385 -11.801 1.00 0.00 H new ATOM 643 N PRO A 42 -10.700 13.006 -11.558 1.00 0.00 N ATOM 644 CA PRO A 42 -10.404 13.852 -12.716 1.00 0.00 C ATOM 645 C PRO A 42 -8.947 14.316 -12.760 1.00 0.00 C ATOM 646 O PRO A 42 -8.190 13.926 -13.645 1.00 0.00 O ATOM 647 CB PRO A 42 -11.343 15.060 -12.543 1.00 0.00 C ATOM 648 CG PRO A 42 -12.179 14.767 -11.336 1.00 0.00 C ATOM 649 CD PRO A 42 -11.421 13.756 -10.527 1.00 0.00 C ATOM 0 HA PRO A 42 -10.554 13.308 -13.649 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.774 15.980 -12.409 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.968 15.198 -13.426 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.355 15.674 -10.757 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.155 14.379 -11.626 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.741 14.229 -9.819 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.087 13.115 -9.950 1.00 0.00 H new ATOM 657 N SER A 43 -8.551 15.140 -11.797 1.00 0.00 N ATOM 658 CA SER A 43 -7.212 15.711 -11.792 1.00 0.00 C ATOM 659 C SER A 43 -6.513 15.420 -10.467 1.00 0.00 C ATOM 660 O SER A 43 -5.795 16.259 -9.925 1.00 0.00 O ATOM 661 CB SER A 43 -7.287 17.223 -12.045 1.00 0.00 C ATOM 662 OG SER A 43 -6.005 17.762 -12.333 1.00 0.00 O ATOM 0 H SER A 43 -9.137 15.426 -11.013 1.00 0.00 H new ATOM 0 HA SER A 43 -6.629 15.252 -12.591 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.963 17.422 -12.877 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.705 17.720 -11.169 1.00 0.00 H new ATOM 0 HG SER A 43 -5.375 17.501 -11.629 1.00 0.00 H new ATOM 668 N ILE A 44 -6.719 14.219 -9.957 1.00 0.00 N ATOM 669 CA ILE A 44 -6.083 13.805 -8.719 1.00 0.00 C ATOM 670 C ILE A 44 -4.763 13.111 -9.027 1.00 0.00 C ATOM 671 O ILE A 44 -4.710 12.220 -9.877 1.00 0.00 O ATOM 672 CB ILE A 44 -7.000 12.864 -7.908 1.00 0.00 C ATOM 673 CG1 ILE A 44 -8.329 13.565 -7.608 1.00 0.00 C ATOM 674 CG2 ILE A 44 -6.315 12.432 -6.618 1.00 0.00 C ATOM 675 CD1 ILE A 44 -9.333 12.691 -6.889 1.00 0.00 C ATOM 0 H ILE A 44 -7.321 13.513 -10.381 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.895 14.693 -8.116 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.201 11.970 -8.499 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.133 14.450 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.767 13.910 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.976 11.769 -6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.390 11.906 -6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.088 13.311 -6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.247 13.257 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.560 11.818 -7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.916 12.367 -5.935 1.00 0.00 H new ATOM 687 N ASN A 45 -3.699 13.527 -8.352 1.00 0.00 N ATOM 688 CA ASN A 45 -2.372 12.988 -8.611 1.00 0.00 C ATOM 689 C ASN A 45 -2.224 11.594 -8.025 1.00 0.00 C ATOM 690 O ASN A 45 -1.803 11.422 -6.879 1.00 0.00 O ATOM 691 CB ASN A 45 -1.280 13.904 -8.053 1.00 0.00 C ATOM 692 CG ASN A 45 -1.142 15.196 -8.831 1.00 0.00 C ATOM 693 OD1 ASN A 45 -1.785 16.196 -8.516 1.00 0.00 O ATOM 694 ND2 ASN A 45 -0.294 15.190 -9.849 1.00 0.00 N ATOM 0 H ASN A 45 -3.730 14.237 -7.620 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.254 12.928 -9.693 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.503 14.135 -7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.327 13.375 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.156 16.035 -10.403 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.221 14.340 -10.079 1.00 0.00 H new ATOM 701 N VAL A 46 -2.572 10.601 -8.826 1.00 0.00 N ATOM 702 CA VAL A 46 -2.502 9.210 -8.407 1.00 0.00 C ATOM 703 C VAL A 46 -1.054 8.744 -8.282 1.00 0.00 C ATOM 704 O VAL A 46 -0.777 7.694 -7.708 1.00 0.00 O ATOM 705 CB VAL A 46 -3.258 8.293 -9.392 1.00 0.00 C ATOM 706 CG1 VAL A 46 -4.728 8.685 -9.460 1.00 0.00 C ATOM 707 CG2 VAL A 46 -2.626 8.343 -10.776 1.00 0.00 C ATOM 0 H VAL A 46 -2.909 10.734 -9.779 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.978 9.144 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.188 7.269 -9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.247 8.029 -10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.176 8.589 -8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.814 9.717 -9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.177 7.688 -11.451 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.658 9.365 -11.154 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.589 8.012 -10.715 1.00 0.00 H new ATOM 717 N ASN A 47 -0.133 9.527 -8.827 1.00 0.00 N ATOM 718 CA ASN A 47 1.288 9.215 -8.732 1.00 0.00 C ATOM 719 C ASN A 47 1.888 9.794 -7.456 1.00 0.00 C ATOM 720 O ASN A 47 2.961 9.374 -7.017 1.00 0.00 O ATOM 721 CB ASN A 47 2.044 9.754 -9.950 1.00 0.00 C ATOM 722 CG ASN A 47 1.733 8.991 -11.224 1.00 0.00 C ATOM 723 OD1 ASN A 47 0.788 9.319 -11.942 1.00 0.00 O ATOM 724 ND2 ASN A 47 2.535 7.981 -11.523 1.00 0.00 N ATOM 0 H ASN A 47 -0.344 10.383 -9.340 1.00 0.00 H new ATOM 0 HA ASN A 47 1.388 8.130 -8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.792 10.805 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.116 9.706 -9.756 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.381 7.442 -12.375 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.307 7.741 -10.901 1.00 0.00 H new ATOM 731 N GLU A 48 1.192 10.758 -6.860 1.00 0.00 N ATOM 732 CA GLU A 48 1.672 11.403 -5.642 1.00 0.00 C ATOM 733 C GLU A 48 1.043 10.754 -4.414 1.00 0.00 C ATOM 734 O GLU A 48 1.556 10.880 -3.300 1.00 0.00 O ATOM 735 CB GLU A 48 1.360 12.900 -5.658 1.00 0.00 C ATOM 736 CG GLU A 48 1.917 13.632 -6.870 1.00 0.00 C ATOM 737 CD GLU A 48 3.414 13.464 -7.033 1.00 0.00 C ATOM 738 OE1 GLU A 48 4.174 14.200 -6.375 1.00 0.00 O ATOM 739 OE2 GLU A 48 3.838 12.603 -7.834 1.00 0.00 O ATOM 0 H GLU A 48 0.296 11.109 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 48 2.754 11.276 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.279 13.036 -5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.764 13.355 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.417 13.268 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.684 14.693 -6.784 1.00 0.00 H new ATOM 746 N LEU A 49 -0.080 10.080 -4.621 1.00 0.00 N ATOM 747 CA LEU A 49 -0.720 9.323 -3.556 1.00 0.00 C ATOM 748 C LEU A 49 -0.047 7.965 -3.416 1.00 0.00 C ATOM 749 O LEU A 49 0.188 7.279 -4.410 1.00 0.00 O ATOM 750 CB LEU A 49 -2.213 9.142 -3.843 1.00 0.00 C ATOM 751 CG LEU A 49 -3.025 10.437 -3.920 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.473 10.134 -4.269 1.00 0.00 C ATOM 753 CD2 LEU A 49 -2.943 11.201 -2.606 1.00 0.00 C ATOM 0 H LEU A 49 -0.566 10.042 -5.517 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.615 9.876 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.323 8.607 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.642 8.509 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.602 11.062 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.037 11.065 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.517 9.630 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.905 9.490 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.527 12.118 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.340 10.583 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.903 11.449 -2.394 1.00 0.00 H new ATOM 765 N PHE A 50 0.278 7.587 -2.191 1.00 0.00 N ATOM 766 CA PHE A 50 0.961 6.325 -1.949 1.00 0.00 C ATOM 767 C PHE A 50 0.259 5.508 -0.875 1.00 0.00 C ATOM 768 O PHE A 50 -0.629 5.998 -0.174 1.00 0.00 O ATOM 769 CB PHE A 50 2.410 6.563 -1.516 1.00 0.00 C ATOM 770 CG PHE A 50 3.294 7.137 -2.585 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.795 6.329 -3.591 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.636 8.479 -2.573 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.620 6.849 -4.569 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.458 9.006 -3.549 1.00 0.00 C ATOM 775 CZ PHE A 50 4.952 8.189 -4.547 1.00 0.00 C ATOM 0 H PHE A 50 0.082 8.132 -1.352 1.00 0.00 H new ATOM 0 HA PHE A 50 0.943 5.771 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.414 7.237 -0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.835 5.617 -1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.538 5.280 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.256 9.120 -1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.005 6.209 -5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.714 10.055 -3.532 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.598 8.598 -5.310 1.00 0.00 H new ATOM 785 N ALA A 51 0.672 4.257 -0.764 1.00 0.00 N ATOM 786 CA ALA A 51 0.257 3.404 0.330 1.00 0.00 C ATOM 787 C ALA A 51 1.446 3.192 1.249 1.00 0.00 C ATOM 788 O ALA A 51 2.463 2.644 0.833 1.00 0.00 O ATOM 789 CB ALA A 51 -0.266 2.076 -0.194 1.00 0.00 C ATOM 0 H ALA A 51 1.302 3.808 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.554 3.878 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.573 1.450 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.121 2.254 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.520 1.571 -0.756 1.00 0.00 H new ATOM 795 N TYR A 52 1.334 3.641 2.482 1.00 0.00 N ATOM 796 CA TYR A 52 2.468 3.620 3.386 1.00 0.00 C ATOM 797 C TYR A 52 2.234 2.681 4.558 1.00 0.00 C ATOM 798 O TYR A 52 1.094 2.420 4.948 1.00 0.00 O ATOM 799 CB TYR A 52 2.801 5.036 3.878 1.00 0.00 C ATOM 800 CG TYR A 52 1.654 5.783 4.530 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.670 6.401 3.764 1.00 0.00 C ATOM 802 CD2 TYR A 52 1.574 5.896 5.912 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.361 7.105 4.359 1.00 0.00 C ATOM 804 CE2 TYR A 52 0.545 6.593 6.513 1.00 0.00 C ATOM 805 CZ TYR A 52 -0.419 7.197 5.734 1.00 0.00 C ATOM 806 OH TYR A 52 -1.439 7.904 6.335 1.00 0.00 O ATOM 0 H TYR A 52 0.476 4.023 2.880 1.00 0.00 H new ATOM 0 HA TYR A 52 3.324 3.240 2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.622 4.971 4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.160 5.622 3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.712 6.330 2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.330 5.431 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.116 7.580 3.751 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.495 6.665 7.589 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.030 8.275 5.647 1.00 0.00 H new ATOM 816 N VAL A 53 3.323 2.152 5.093 1.00 0.00 N ATOM 817 CA VAL A 53 3.258 1.280 6.253 1.00 0.00 C ATOM 818 C VAL A 53 3.961 1.907 7.452 1.00 0.00 C ATOM 819 O VAL A 53 4.973 2.615 7.308 1.00 0.00 O ATOM 820 CB VAL A 53 3.873 -0.110 5.968 1.00 0.00 C ATOM 821 CG1 VAL A 53 3.029 -0.874 4.958 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.307 0.015 5.476 1.00 0.00 C ATOM 0 H VAL A 53 4.266 2.313 4.740 1.00 0.00 H new ATOM 0 HA VAL A 53 2.201 1.148 6.483 1.00 0.00 H new ATOM 0 HB VAL A 53 3.884 -0.668 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.479 -1.849 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.022 -1.009 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.981 -0.312 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.714 -0.978 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.326 0.599 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.910 0.513 6.235 1.00 0.00 H new ATOM 832 N ASP A 54 3.403 1.652 8.628 1.00 0.00 N ATOM 833 CA ASP A 54 3.979 2.104 9.886 1.00 0.00 C ATOM 834 C ASP A 54 4.773 0.979 10.530 1.00 0.00 C ATOM 835 O ASP A 54 4.208 -0.010 10.996 1.00 0.00 O ATOM 836 CB ASP A 54 2.879 2.589 10.840 1.00 0.00 C ATOM 837 CG ASP A 54 3.339 2.682 12.288 1.00 0.00 C ATOM 838 OD1 ASP A 54 4.202 3.527 12.598 1.00 0.00 O ATOM 839 OD2 ASP A 54 2.822 1.914 13.130 1.00 0.00 O ATOM 0 H ASP A 54 2.537 1.125 8.736 1.00 0.00 H new ATOM 0 HA ASP A 54 4.649 2.938 9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.529 3.568 10.513 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.029 1.910 10.779 1.00 0.00 H new ATOM 844 N LEU A 55 6.086 1.116 10.532 1.00 0.00 N ATOM 845 CA LEU A 55 6.941 0.117 11.149 1.00 0.00 C ATOM 846 C LEU A 55 7.404 0.602 12.514 1.00 0.00 C ATOM 847 O LEU A 55 8.576 0.925 12.716 1.00 0.00 O ATOM 848 CB LEU A 55 8.143 -0.214 10.257 1.00 0.00 C ATOM 849 CG LEU A 55 7.796 -0.748 8.863 1.00 0.00 C ATOM 850 CD1 LEU A 55 9.054 -1.186 8.134 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.809 -1.900 8.957 1.00 0.00 C ATOM 0 H LEU A 55 6.582 1.904 10.116 1.00 0.00 H new ATOM 0 HA LEU A 55 6.362 -0.798 11.275 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.749 0.685 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.761 -0.952 10.768 1.00 0.00 H new ATOM 0 HG LEU A 55 7.328 0.057 8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.789 -1.563 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.729 -0.336 8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.548 -1.974 8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.577 -2.263 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.247 -2.708 9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.894 -1.557 9.439 1.00 0.00 H new ATOM 863 N SER A 56 6.464 0.679 13.440 1.00 0.00 N ATOM 864 CA SER A 56 6.753 1.119 14.794 1.00 0.00 C ATOM 865 C SER A 56 7.300 -0.034 15.632 1.00 0.00 C ATOM 866 O SER A 56 7.633 0.133 16.808 1.00 0.00 O ATOM 867 CB SER A 56 5.488 1.709 15.419 1.00 0.00 C ATOM 868 OG SER A 56 4.349 0.923 15.095 1.00 0.00 O ATOM 0 H SER A 56 5.486 0.440 13.277 1.00 0.00 H new ATOM 0 HA SER A 56 7.521 1.892 14.765 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.603 1.761 16.502 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.344 2.729 15.064 1.00 0.00 H new ATOM 0 HG SER A 56 3.866 1.339 14.351 1.00 0.00 H new ATOM 874 N GLY A 57 7.392 -1.205 15.015 1.00 0.00 N ATOM 875 CA GLY A 57 7.976 -2.354 15.671 1.00 0.00 C ATOM 876 C GLY A 57 9.381 -2.618 15.174 1.00 0.00 C ATOM 877 O GLY A 57 9.578 -2.974 14.013 1.00 0.00 O ATOM 0 H GLY A 57 7.069 -1.378 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.994 -2.190 16.748 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.354 -3.232 15.493 1.00 0.00 H new ATOM 881 N SER A 58 10.359 -2.431 16.048 1.00 0.00 N ATOM 882 CA SER A 58 11.762 -2.592 15.685 1.00 0.00 C ATOM 883 C SER A 58 12.208 -4.052 15.778 1.00 0.00 C ATOM 884 O SER A 58 13.406 -4.349 15.785 1.00 0.00 O ATOM 885 CB SER A 58 12.623 -1.711 16.590 1.00 0.00 C ATOM 886 OG SER A 58 12.260 -1.871 17.951 1.00 0.00 O ATOM 0 H SER A 58 10.206 -2.166 17.021 1.00 0.00 H new ATOM 0 HA SER A 58 11.886 -2.284 14.647 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.674 -1.966 16.458 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.510 -0.666 16.300 1.00 0.00 H new ATOM 0 HG SER A 58 12.826 -1.299 18.510 1.00 0.00 H new ATOM 892 N GLU A 59 11.243 -4.959 15.832 1.00 0.00 N ATOM 893 CA GLU A 59 11.537 -6.380 15.914 1.00 0.00 C ATOM 894 C GLU A 59 11.744 -6.964 14.522 1.00 0.00 C ATOM 895 O GLU A 59 10.846 -6.914 13.679 1.00 0.00 O ATOM 896 CB GLU A 59 10.410 -7.120 16.630 1.00 0.00 C ATOM 897 CG GLU A 59 10.231 -6.690 18.072 1.00 0.00 C ATOM 898 CD GLU A 59 9.233 -7.548 18.813 1.00 0.00 C ATOM 899 OE1 GLU A 59 9.582 -8.689 19.178 1.00 0.00 O ATOM 900 OE2 GLU A 59 8.099 -7.083 19.042 1.00 0.00 O ATOM 0 H GLU A 59 10.248 -4.734 15.820 1.00 0.00 H new ATOM 0 HA GLU A 59 12.456 -6.505 16.486 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.477 -6.956 16.091 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.611 -8.191 16.600 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.193 -6.734 18.583 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.903 -5.651 18.100 1.00 0.00 H new ATOM 907 N PRO A 60 12.940 -7.515 14.263 1.00 0.00 N ATOM 908 CA PRO A 60 13.271 -8.128 12.976 1.00 0.00 C ATOM 909 C PRO A 60 12.534 -9.447 12.755 1.00 0.00 C ATOM 910 O PRO A 60 11.688 -9.847 13.558 1.00 0.00 O ATOM 911 CB PRO A 60 14.785 -8.373 13.059 1.00 0.00 C ATOM 912 CG PRO A 60 15.247 -7.640 14.274 1.00 0.00 C ATOM 913 CD PRO A 60 14.069 -7.584 15.197 1.00 0.00 C ATOM 0 HA PRO A 60 12.978 -7.489 12.143 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.006 -9.438 13.137 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.290 -8.007 12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.086 -8.153 14.744 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.590 -6.637 14.018 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.013 -8.464 15.838 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.108 -6.714 15.853 1.00 0.00 H new ATOM 921 N GLY A 61 12.863 -10.121 11.664 1.00 0.00 N ATOM 922 CA GLY A 61 12.216 -11.373 11.351 1.00 0.00 C ATOM 923 C GLY A 61 11.097 -11.189 10.354 1.00 0.00 C ATOM 924 O GLY A 61 11.237 -10.431 9.395 1.00 0.00 O ATOM 0 H GLY A 61 13.568 -9.821 10.990 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.950 -12.072 10.949 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.820 -11.817 12.265 1.00 0.00 H new ATOM 928 N GLU A 62 9.982 -11.858 10.588 1.00 0.00 N ATOM 929 CA GLU A 62 8.856 -11.809 9.674 1.00 0.00 C ATOM 930 C GLU A 62 7.589 -11.397 10.422 1.00 0.00 C ATOM 931 O GLU A 62 7.110 -12.120 11.296 1.00 0.00 O ATOM 932 CB GLU A 62 8.687 -13.178 9.016 1.00 0.00 C ATOM 933 CG GLU A 62 7.637 -13.224 7.926 1.00 0.00 C ATOM 934 CD GLU A 62 7.633 -14.548 7.195 1.00 0.00 C ATOM 935 OE1 GLU A 62 7.009 -15.509 7.697 1.00 0.00 O ATOM 936 OE2 GLU A 62 8.260 -14.639 6.119 1.00 0.00 O ATOM 0 H GLU A 62 9.832 -12.445 11.409 1.00 0.00 H new ATOM 0 HA GLU A 62 9.041 -11.066 8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.644 -13.485 8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.428 -13.907 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.654 -13.049 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.818 -12.418 7.215 1.00 0.00 H new ATOM 943 N HIS A 63 7.066 -10.224 10.091 1.00 0.00 N ATOM 944 CA HIS A 63 5.900 -9.674 10.781 1.00 0.00 C ATOM 945 C HIS A 63 4.846 -9.216 9.782 1.00 0.00 C ATOM 946 O HIS A 63 5.164 -8.892 8.639 1.00 0.00 O ATOM 947 CB HIS A 63 6.304 -8.495 11.674 1.00 0.00 C ATOM 948 CG HIS A 63 6.910 -8.890 12.987 1.00 0.00 C ATOM 949 ND1 HIS A 63 6.315 -8.608 14.195 1.00 0.00 N ATOM 950 CD2 HIS A 63 8.064 -9.535 13.282 1.00 0.00 C ATOM 951 CE1 HIS A 63 7.071 -9.060 15.175 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.139 -9.629 14.651 1.00 0.00 N ATOM 0 H HIS A 63 7.431 -9.630 9.346 1.00 0.00 H new ATOM 0 HA HIS A 63 5.480 -10.465 11.403 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.016 -7.872 11.132 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.424 -7.881 11.864 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.790 -9.906 12.574 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.853 -8.978 16.230 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.896 -10.067 15.176 1.00 0.00 H new ATOM 961 N ASP A 64 3.594 -9.184 10.220 1.00 0.00 N ATOM 962 CA ASP A 64 2.495 -8.738 9.367 1.00 0.00 C ATOM 963 C ASP A 64 2.123 -7.298 9.689 1.00 0.00 C ATOM 964 O ASP A 64 1.928 -6.945 10.854 1.00 0.00 O ATOM 965 CB ASP A 64 1.264 -9.633 9.537 1.00 0.00 C ATOM 966 CG ASP A 64 1.451 -11.016 8.950 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.373 -11.158 7.715 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.661 -11.974 9.723 1.00 0.00 O ATOM 0 H ASP A 64 3.312 -9.461 11.160 1.00 0.00 H new ATOM 0 HA ASP A 64 2.833 -8.803 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.031 -9.723 10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.407 -9.156 9.062 1.00 0.00 H new ATOM 973 N TYR A 65 2.031 -6.471 8.659 1.00 0.00 N ATOM 974 CA TYR A 65 1.673 -5.069 8.834 1.00 0.00 C ATOM 975 C TYR A 65 0.524 -4.682 7.913 1.00 0.00 C ATOM 976 O TYR A 65 0.281 -5.336 6.898 1.00 0.00 O ATOM 977 CB TYR A 65 2.883 -4.166 8.577 1.00 0.00 C ATOM 978 CG TYR A 65 3.955 -4.274 9.637 1.00 0.00 C ATOM 979 CD1 TYR A 65 3.849 -3.567 10.829 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.072 -5.080 9.451 1.00 0.00 C ATOM 981 CE1 TYR A 65 4.822 -3.659 11.804 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.051 -5.177 10.423 1.00 0.00 C ATOM 983 CZ TYR A 65 5.921 -4.464 11.596 1.00 0.00 C ATOM 984 OH TYR A 65 6.892 -4.556 12.566 1.00 0.00 O ATOM 0 H TYR A 65 2.199 -6.746 7.691 1.00 0.00 H new ATOM 0 HA TYR A 65 1.348 -4.933 9.866 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.315 -4.418 7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.547 -3.131 8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.990 -2.934 10.995 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.177 -5.639 8.533 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.722 -3.103 12.725 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.913 -5.808 10.264 1.00 0.00 H new ATOM 0 HH TYR A 65 7.598 -5.165 12.265 1.00 0.00 H new ATOM 994 N GLU A 66 -0.179 -3.618 8.275 1.00 0.00 N ATOM 995 CA GLU A 66 -1.334 -3.164 7.511 1.00 0.00 C ATOM 996 C GLU A 66 -0.912 -2.226 6.387 1.00 0.00 C ATOM 997 O GLU A 66 -0.015 -1.401 6.558 1.00 0.00 O ATOM 998 CB GLU A 66 -2.322 -2.439 8.426 1.00 0.00 C ATOM 999 CG GLU A 66 -2.736 -3.244 9.643 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.692 -2.488 10.539 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -3.268 -1.499 11.172 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -4.873 -2.884 10.625 1.00 0.00 O ATOM 0 H GLU A 66 0.031 -3.051 9.096 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.812 -4.042 7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.875 -1.502 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.212 -2.182 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.205 -4.173 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.848 -3.518 10.213 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.567 -2.357 5.243 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.346 -1.452 4.127 1.00 0.00 C ATOM 1011 C VAL A 67 -2.239 -0.229 4.276 1.00 0.00 C ATOM 1012 O VAL A 67 -3.460 -0.317 4.118 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.642 -2.135 2.773 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.385 -1.180 1.616 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.810 -3.398 2.618 1.00 0.00 C ATOM 0 H VAL A 67 -2.259 -3.085 5.064 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.297 -1.158 4.139 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.696 -2.412 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.600 -1.684 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.029 -0.306 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.341 -0.865 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.032 -3.865 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.249 -3.144 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.049 -4.092 3.423 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.640 0.904 4.610 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.403 2.120 4.803 1.00 0.00 C ATOM 1027 C LYS A 68 -2.330 2.991 3.558 1.00 0.00 C ATOM 1028 O LYS A 68 -1.319 3.639 3.295 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.891 2.888 6.022 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.826 3.995 6.480 1.00 0.00 C ATOM 1031 CD LYS A 68 -2.254 4.745 7.671 1.00 0.00 C ATOM 1032 CE LYS A 68 -3.271 5.706 8.265 1.00 0.00 C ATOM 1033 NZ LYS A 68 -3.736 6.717 7.278 1.00 0.00 N ATOM 0 H LYS A 68 -0.635 1.003 4.751 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.444 1.851 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.739 2.189 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.918 3.320 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.999 4.691 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.794 3.569 6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.937 4.033 8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.367 5.298 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.127 5.142 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.830 6.215 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.278 7.457 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.914 7.145 6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.341 6.257 6.568 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.399 2.983 2.785 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.472 3.779 1.572 1.00 0.00 C ATOM 1049 C VAL A 69 -3.976 5.174 1.906 1.00 0.00 C ATOM 1050 O VAL A 69 -4.975 5.319 2.615 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.408 3.130 0.530 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.448 3.946 -0.753 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -3.983 1.697 0.241 1.00 0.00 C ATOM 0 H VAL A 69 -4.235 2.430 2.976 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.471 3.836 1.144 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.414 3.112 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.115 3.466 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.812 4.950 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.445 4.008 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.657 1.259 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.965 1.691 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.023 1.113 1.161 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.277 6.192 1.428 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.687 7.564 1.673 1.00 0.00 C ATOM 1065 C GLU A 70 -4.982 7.861 0.917 1.00 0.00 C ATOM 1066 O GLU A 70 -5.080 7.595 -0.282 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.577 8.542 1.276 1.00 0.00 C ATOM 1068 CG GLU A 70 -2.897 9.988 1.617 1.00 0.00 C ATOM 1069 CD GLU A 70 -1.675 10.880 1.611 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -1.034 11.020 2.675 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -1.362 11.470 0.556 1.00 0.00 O ATOM 0 H GLU A 70 -2.428 6.094 0.871 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.872 7.693 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.653 8.254 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.397 8.460 0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.624 10.372 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.365 10.029 2.600 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.990 8.390 1.627 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.323 8.638 1.067 1.00 0.00 C ATOM 1080 C PRO A 71 -7.295 9.506 -0.185 1.00 0.00 C ATOM 1081 O PRO A 71 -6.655 10.560 -0.221 1.00 0.00 O ATOM 1082 CB PRO A 71 -8.071 9.358 2.199 1.00 0.00 C ATOM 1083 CG PRO A 71 -7.019 9.796 3.156 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.913 8.792 3.038 1.00 0.00 C ATOM 0 HA PRO A 71 -7.794 7.708 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.634 10.210 1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.787 8.693 2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.664 10.798 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.407 9.832 4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.944 9.227 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.061 7.946 3.709 1.00 0.00 H new ATOM 1092 N ILE A 72 -7.999 9.051 -1.209 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.113 9.792 -2.454 1.00 0.00 C ATOM 1094 C ILE A 72 -9.188 10.865 -2.299 1.00 0.00 C ATOM 1095 O ILE A 72 -10.311 10.563 -1.896 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.463 8.869 -3.654 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.482 7.693 -3.764 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.461 9.661 -4.952 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.799 6.527 -2.850 1.00 0.00 C ATOM 0 H ILE A 72 -8.504 8.165 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.146 10.248 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.461 8.467 -3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.472 7.339 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.477 8.052 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.708 8.999 -5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.200 10.460 -4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.473 10.092 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.057 5.741 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.779 6.862 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.789 6.138 -3.087 1.00 0.00 H new ATOM 1111 N PRO A 73 -8.840 12.132 -2.585 1.00 0.00 N ATOM 1112 CA PRO A 73 -9.742 13.280 -2.396 1.00 0.00 C ATOM 1113 C PRO A 73 -11.128 13.079 -3.009 1.00 0.00 C ATOM 1114 O PRO A 73 -11.273 13.031 -4.231 1.00 0.00 O ATOM 1115 CB PRO A 73 -9.012 14.423 -3.103 1.00 0.00 C ATOM 1116 CG PRO A 73 -7.573 14.050 -3.037 1.00 0.00 C ATOM 1117 CD PRO A 73 -7.527 12.550 -3.113 1.00 0.00 C ATOM 0 HA PRO A 73 -9.938 13.455 -1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.347 14.528 -4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.197 15.377 -2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.016 14.499 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.120 14.407 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.379 12.205 -4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.709 12.144 -2.518 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.130 12.927 -2.136 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.544 12.862 -2.533 1.00 0.00 C ATOM 1127 C ASN A 74 -13.876 11.541 -3.233 1.00 0.00 C ATOM 1128 O ASN A 74 -15.011 11.309 -3.657 1.00 0.00 O ATOM 1129 CB ASN A 74 -13.906 14.070 -3.418 1.00 0.00 C ATOM 1130 CG ASN A 74 -15.393 14.175 -3.714 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -16.167 14.665 -2.893 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -15.797 13.756 -4.906 1.00 0.00 N ATOM 0 H ASN A 74 -11.984 12.845 -1.130 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.150 12.903 -1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.575 14.984 -2.925 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.360 13.999 -4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.780 13.835 -5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.125 13.355 -5.560 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.901 10.655 -3.326 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.111 9.372 -3.970 1.00 0.00 C ATOM 1141 C ILE A 75 -13.283 8.276 -2.926 1.00 0.00 C ATOM 1142 O ILE A 75 -12.552 8.224 -1.934 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.953 9.019 -4.929 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.821 10.091 -6.016 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -12.162 7.647 -5.559 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -13.085 10.297 -6.825 1.00 0.00 C ATOM 0 H ILE A 75 -11.958 10.800 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.023 9.446 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.030 8.987 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.540 11.036 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.010 9.815 -6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.332 7.424 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.209 6.890 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.095 7.644 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.915 11.070 -7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.356 9.365 -7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.895 10.605 -6.163 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.269 7.422 -3.142 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.560 6.340 -2.218 1.00 0.00 C ATOM 1160 C LYS A 76 -13.717 5.126 -2.572 1.00 0.00 C ATOM 1161 O LYS A 76 -13.402 4.905 -3.741 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.038 5.974 -2.296 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.964 7.178 -2.297 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.374 6.766 -2.661 1.00 0.00 C ATOM 1165 CE LYS A 76 -19.287 7.961 -2.866 1.00 0.00 C ATOM 1166 NZ LYS A 76 -20.629 7.542 -3.345 1.00 0.00 N ATOM 0 H LYS A 76 -14.885 7.458 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.324 6.664 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.212 5.392 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.290 5.333 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.959 7.648 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.602 7.921 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.352 6.168 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.780 6.132 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.388 8.508 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.838 8.644 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.891 8.105 -4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.607 6.534 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.330 7.694 -2.591 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.355 4.336 -1.581 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.553 3.153 -1.833 1.00 0.00 C ATOM 1182 C ILE A 77 -13.389 1.894 -1.608 1.00 0.00 C ATOM 1183 O ILE A 77 -14.056 1.743 -0.582 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.266 3.142 -0.971 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.343 1.998 -1.398 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.596 3.042 0.514 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.947 2.104 -0.821 1.00 0.00 C ATOM 0 H ILE A 77 -13.600 4.488 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.234 3.172 -2.875 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.746 4.086 -1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.785 1.050 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.278 1.980 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.672 3.037 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.204 3.897 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.148 2.121 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.347 1.262 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.487 3.036 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.001 2.091 0.268 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.388 1.013 -2.596 1.00 0.00 N ATOM 1200 CA VAL A 78 -14.215 -0.183 -2.558 1.00 0.00 C ATOM 1201 C VAL A 78 -13.427 -1.374 -2.033 1.00 0.00 C ATOM 1202 O VAL A 78 -13.730 -1.915 -0.972 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.762 -0.521 -3.963 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.708 -1.705 -3.914 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.445 0.686 -4.579 1.00 0.00 C ATOM 0 H VAL A 78 -12.820 1.105 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.049 0.021 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.916 -0.795 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -16.076 -1.918 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -15.180 -2.577 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.549 -1.472 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.822 0.425 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.275 0.998 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.729 1.503 -4.668 1.00 0.00 H new ATOM 1215 N GLU A 79 -12.402 -1.762 -2.776 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.624 -2.944 -2.447 1.00 0.00 C ATOM 1217 C GLU A 79 -10.152 -2.596 -2.301 1.00 0.00 C ATOM 1218 O GLU A 79 -9.566 -1.970 -3.186 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.793 -4.005 -3.535 1.00 0.00 C ATOM 1220 CG GLU A 79 -13.218 -4.504 -3.690 1.00 0.00 C ATOM 1221 CD GLU A 79 -13.380 -5.443 -4.865 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -12.866 -6.579 -4.802 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -14.032 -5.056 -5.856 1.00 0.00 O ATOM 0 H GLU A 79 -12.089 -1.272 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.988 -3.337 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.457 -3.593 -4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.145 -4.851 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.522 -5.015 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.886 -3.652 -3.816 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.568 -2.982 -1.177 1.00 0.00 N ATOM 1231 CA ILE A 80 -8.140 -2.815 -0.965 1.00 0.00 C ATOM 1232 C ILE A 80 -7.449 -4.167 -1.084 1.00 0.00 C ATOM 1233 O ILE A 80 -7.866 -5.138 -0.452 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.830 -2.207 0.419 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.713 -0.984 0.678 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -6.357 -1.826 0.510 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -8.512 -0.366 2.046 1.00 0.00 C ATOM 0 H ILE A 80 -10.063 -3.414 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.769 -2.127 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.045 -2.955 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.509 -0.232 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.759 -1.272 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.152 -1.398 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.742 -2.714 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.123 -1.093 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.171 0.495 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.744 -1.102 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.476 -0.045 2.152 1.00 0.00 H new ATOM 1249 N SER A 81 -6.420 -4.247 -1.913 1.00 0.00 N ATOM 1250 CA SER A 81 -5.711 -5.502 -2.116 1.00 0.00 C ATOM 1251 C SER A 81 -4.247 -5.248 -2.470 1.00 0.00 C ATOM 1252 O SER A 81 -3.951 -4.670 -3.518 1.00 0.00 O ATOM 1253 CB SER A 81 -6.387 -6.304 -3.230 1.00 0.00 C ATOM 1254 OG SER A 81 -7.781 -6.432 -2.986 1.00 0.00 O ATOM 0 H SER A 81 -6.058 -3.462 -2.454 1.00 0.00 H new ATOM 0 HA SER A 81 -5.744 -6.073 -1.188 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.225 -5.811 -4.189 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.933 -7.293 -3.299 1.00 0.00 H new ATOM 0 HG SER A 81 -8.194 -6.947 -3.711 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.309 -5.664 -1.603 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.618 -6.331 -0.336 1.00 0.00 C ATOM 1262 C PRO A 82 -3.886 -5.342 0.802 1.00 0.00 C ATOM 1263 O PRO A 82 -3.779 -4.129 0.622 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.342 -7.123 -0.063 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.250 -6.293 -0.651 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.855 -5.526 -1.803 1.00 0.00 C ATOM 0 HA PRO A 82 -4.523 -6.936 -0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.192 -7.276 1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.382 -8.110 -0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.839 -5.611 0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.429 -6.922 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.548 -4.480 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.544 -5.938 -2.763 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.230 -5.868 1.971 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.508 -5.037 3.137 1.00 0.00 C ATOM 1276 C ARG A 83 -3.555 -5.369 4.279 1.00 0.00 C ATOM 1277 O ARG A 83 -3.246 -4.516 5.111 1.00 0.00 O ATOM 1278 CB ARG A 83 -5.957 -5.215 3.590 1.00 0.00 C ATOM 1279 CG ARG A 83 -6.966 -4.708 2.575 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.391 -4.826 3.083 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.803 -6.214 3.256 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.846 -6.592 3.991 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.557 -5.688 4.652 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -10.167 -7.876 4.068 1.00 0.00 N ATOM 0 H ARG A 83 -4.324 -6.870 2.138 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.356 -3.996 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.144 -6.272 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.104 -4.689 4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.750 -3.666 2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.863 -5.273 1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.480 -4.302 4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.066 -4.333 2.383 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.260 -6.938 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.305 -4.701 4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.356 -5.980 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.615 -8.571 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.966 -8.169 4.630 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.100 -6.612 4.318 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.119 -7.042 5.301 1.00 0.00 C ATOM 1300 C VAL A 84 -0.932 -7.679 4.592 1.00 0.00 C ATOM 1301 O VAL A 84 -1.077 -8.699 3.916 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.716 -8.054 6.307 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.674 -8.474 7.333 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.941 -7.474 6.999 1.00 0.00 C ATOM 0 H VAL A 84 -3.398 -7.345 3.675 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.800 -6.161 5.858 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.026 -8.938 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.116 -9.186 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.830 -8.940 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.328 -7.597 7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.342 -8.205 7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.660 -6.569 7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.699 -7.232 6.254 1.00 0.00 H new ATOM 1314 N VAL A 85 0.235 -7.074 4.737 1.00 0.00 N ATOM 1315 CA VAL A 85 1.430 -7.566 4.072 1.00 0.00 C ATOM 1316 C VAL A 85 2.417 -8.146 5.071 1.00 0.00 C ATOM 1317 O VAL A 85 2.655 -7.577 6.140 1.00 0.00 O ATOM 1318 CB VAL A 85 2.131 -6.469 3.238 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.322 -6.148 1.993 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.360 -5.211 4.065 1.00 0.00 C ATOM 0 H VAL A 85 0.380 -6.242 5.309 1.00 0.00 H new ATOM 0 HA VAL A 85 1.099 -8.352 3.393 1.00 0.00 H new ATOM 0 HB VAL A 85 3.105 -6.851 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.830 -5.374 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.221 -7.046 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.333 -5.794 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.854 -4.458 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.402 -4.824 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.988 -5.449 4.924 1.00 0.00 H new ATOM 1330 N THR A 86 2.970 -9.291 4.723 1.00 0.00 N ATOM 1331 CA THR A 86 3.972 -9.936 5.544 1.00 0.00 C ATOM 1332 C THR A 86 5.358 -9.432 5.151 1.00 0.00 C ATOM 1333 O THR A 86 5.834 -9.691 4.043 1.00 0.00 O ATOM 1334 CB THR A 86 3.901 -11.465 5.387 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.538 -11.901 5.508 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.746 -12.159 6.443 1.00 0.00 C ATOM 0 H THR A 86 2.738 -9.797 3.868 1.00 0.00 H new ATOM 0 HA THR A 86 3.781 -9.691 6.589 1.00 0.00 H new ATOM 0 HB THR A 86 4.289 -11.726 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.209 -11.699 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.679 -13.239 6.311 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.785 -11.845 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.381 -11.892 7.435 1.00 0.00 H new ATOM 1344 N LEU A 87 5.990 -8.695 6.051 1.00 0.00 N ATOM 1345 CA LEU A 87 7.266 -8.060 5.762 1.00 0.00 C ATOM 1346 C LEU A 87 8.386 -8.698 6.572 1.00 0.00 C ATOM 1347 O LEU A 87 8.183 -9.123 7.711 1.00 0.00 O ATOM 1348 CB LEU A 87 7.194 -6.560 6.064 1.00 0.00 C ATOM 1349 CG LEU A 87 6.140 -5.783 5.270 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.134 -4.319 5.683 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.390 -5.912 3.775 1.00 0.00 C ATOM 0 H LEU A 87 5.638 -8.521 6.992 1.00 0.00 H new ATOM 0 HA LEU A 87 7.481 -8.201 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.993 -6.429 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.171 -6.119 5.867 1.00 0.00 H new ATOM 0 HG LEU A 87 5.162 -6.210 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.379 -3.782 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.904 -4.242 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.114 -3.883 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.630 -5.353 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.376 -5.514 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.344 -6.962 3.488 1.00 0.00 H new ATOM 1363 N GLN A 88 9.565 -8.764 5.976 1.00 0.00 N ATOM 1364 CA GLN A 88 10.730 -9.332 6.639 1.00 0.00 C ATOM 1365 C GLN A 88 11.766 -8.247 6.898 1.00 0.00 C ATOM 1366 O GLN A 88 12.125 -7.491 5.992 1.00 0.00 O ATOM 1367 CB GLN A 88 11.335 -10.447 5.786 1.00 0.00 C ATOM 1368 CG GLN A 88 10.365 -11.579 5.490 1.00 0.00 C ATOM 1369 CD GLN A 88 10.952 -12.629 4.569 1.00 0.00 C ATOM 1370 OE1 GLN A 88 11.821 -12.338 3.744 1.00 0.00 O ATOM 1371 NE2 GLN A 88 10.474 -13.856 4.693 1.00 0.00 N ATOM 0 H GLN A 88 9.742 -8.430 5.029 1.00 0.00 H new ATOM 0 HA GLN A 88 10.417 -9.755 7.594 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.685 -10.024 4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.208 -10.852 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.066 -12.050 6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.462 -11.169 5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.755 -14.055 5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.824 -14.603 4.093 1.00 0.00 H new ATOM 1380 N LEU A 89 12.244 -8.171 8.131 1.00 0.00 N ATOM 1381 CA LEU A 89 13.185 -7.131 8.522 1.00 0.00 C ATOM 1382 C LEU A 89 14.548 -7.710 8.868 1.00 0.00 C ATOM 1383 O LEU A 89 14.650 -8.729 9.553 1.00 0.00 O ATOM 1384 CB LEU A 89 12.649 -6.341 9.717 1.00 0.00 C ATOM 1385 CG LEU A 89 11.384 -5.528 9.453 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.960 -4.790 10.712 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.605 -4.548 8.312 1.00 0.00 C ATOM 0 H LEU A 89 11.996 -8.818 8.879 1.00 0.00 H new ATOM 0 HA LEU A 89 13.301 -6.464 7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.449 -7.038 10.531 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.430 -5.664 10.062 1.00 0.00 H new ATOM 0 HG LEU A 89 10.587 -6.214 9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.057 -4.214 10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.761 -5.510 11.506 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.757 -4.116 11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.692 -3.978 8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.415 -3.866 8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.867 -5.096 7.407 1.00 0.00 H new ATOM 1399 N GLU A 90 15.586 -7.043 8.390 1.00 0.00 N ATOM 1400 CA GLU A 90 16.960 -7.414 8.684 1.00 0.00 C ATOM 1401 C GLU A 90 17.649 -6.256 9.405 1.00 0.00 C ATOM 1402 O GLU A 90 17.157 -5.124 9.381 1.00 0.00 O ATOM 1403 CB GLU A 90 17.702 -7.765 7.389 1.00 0.00 C ATOM 1404 CG GLU A 90 19.112 -8.297 7.602 1.00 0.00 C ATOM 1405 CD GLU A 90 19.783 -8.713 6.311 1.00 0.00 C ATOM 1406 OE1 GLU A 90 20.227 -7.828 5.551 1.00 0.00 O ATOM 1407 OE2 GLU A 90 19.884 -9.929 6.053 1.00 0.00 O ATOM 0 H GLU A 90 15.499 -6.226 7.785 1.00 0.00 H new ATOM 0 HA GLU A 90 16.972 -8.293 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.123 -8.510 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.752 -6.876 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.715 -7.531 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 90 19.075 -9.151 8.278 1.00 0.00 H new ATOM 1414 N HIS A 91 18.773 -6.537 10.049 1.00 0.00 N ATOM 1415 CA HIS A 91 19.487 -5.525 10.813 1.00 0.00 C ATOM 1416 C HIS A 91 20.337 -4.629 9.926 1.00 0.00 C ATOM 1417 O HIS A 91 20.801 -5.032 8.861 1.00 0.00 O ATOM 1418 CB HIS A 91 20.383 -6.168 11.872 1.00 0.00 C ATOM 1419 CG HIS A 91 19.655 -6.586 13.106 1.00 0.00 C ATOM 1420 ND1 HIS A 91 19.266 -5.694 14.082 1.00 0.00 N ATOM 1421 CD2 HIS A 91 19.249 -7.803 13.528 1.00 0.00 C ATOM 1422 CE1 HIS A 91 18.654 -6.344 15.051 1.00 0.00 C ATOM 1423 NE2 HIS A 91 18.629 -7.624 14.737 1.00 0.00 N ATOM 0 H HIS A 91 19.210 -7.459 10.057 1.00 0.00 H new ATOM 0 HA HIS A 91 18.726 -4.912 11.296 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.874 -7.039 11.438 1.00 0.00 H new ATOM 0 HB3 HIS A 91 21.168 -5.464 12.146 1.00 0.00 H new ATOM 0 HD2 HIS A 91 19.387 -8.741 13.010 1.00 0.00 H new ATOM 0 HE1 HIS A 91 18.244 -5.904 15.948 1.00 0.00 H new ATOM 0 HE2 HIS A 91 18.214 -8.364 15.304 1.00 0.00 H new ATOM 1432 N HIS A 92 20.520 -3.403 10.388 1.00 0.00 N ATOM 1433 CA HIS A 92 21.434 -2.461 9.770 1.00 0.00 C ATOM 1434 C HIS A 92 22.100 -1.637 10.866 1.00 0.00 C ATOM 1435 O HIS A 92 21.535 -0.658 11.345 1.00 0.00 O ATOM 1436 CB HIS A 92 20.697 -1.547 8.775 1.00 0.00 C ATOM 1437 CG HIS A 92 21.570 -0.500 8.138 1.00 0.00 C ATOM 1438 ND1 HIS A 92 22.172 -0.659 6.906 1.00 0.00 N ATOM 1439 CD2 HIS A 92 21.944 0.727 8.575 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.875 0.420 6.617 1.00 0.00 C ATOM 1441 NE2 HIS A 92 22.753 1.274 7.614 1.00 0.00 N ATOM 0 H HIS A 92 20.036 -3.033 11.206 1.00 0.00 H new ATOM 0 HA HIS A 92 22.191 -3.008 9.208 1.00 0.00 H new ATOM 0 HB2 HIS A 92 20.256 -2.163 7.991 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.875 -1.053 9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.657 1.188 9.508 1.00 0.00 H new ATOM 0 HE1 HIS A 92 23.452 0.577 5.717 1.00 0.00 H new ATOM 0 HE2 HIS A 92 23.191 2.194 7.662 1.00 0.00 H new ATOM 1450 N HIS A 93 23.283 -2.062 11.284 1.00 0.00 N ATOM 1451 CA HIS A 93 24.009 -1.364 12.336 1.00 0.00 C ATOM 1452 C HIS A 93 24.678 -0.117 11.770 1.00 0.00 C ATOM 1453 O HIS A 93 24.471 0.990 12.263 1.00 0.00 O ATOM 1454 CB HIS A 93 25.048 -2.298 12.971 1.00 0.00 C ATOM 1455 CG HIS A 93 25.801 -1.703 14.125 1.00 0.00 C ATOM 1456 ND1 HIS A 93 25.342 -1.739 15.424 1.00 0.00 N ATOM 1457 CD2 HIS A 93 27.003 -1.081 14.172 1.00 0.00 C ATOM 1458 CE1 HIS A 93 26.229 -1.163 16.216 1.00 0.00 C ATOM 1459 NE2 HIS A 93 27.248 -0.756 15.483 1.00 0.00 N ATOM 0 H HIS A 93 23.760 -2.884 10.913 1.00 0.00 H new ATOM 0 HA HIS A 93 23.306 -1.057 13.110 1.00 0.00 H new ATOM 0 HB2 HIS A 93 24.544 -3.203 13.311 1.00 0.00 H new ATOM 0 HB3 HIS A 93 25.762 -2.600 12.205 1.00 0.00 H new ATOM 0 HD2 HIS A 93 27.650 -0.878 13.332 1.00 0.00 H new ATOM 0 HE1 HIS A 93 26.136 -1.045 17.285 1.00 0.00 H new ATOM 0 HE2 HIS A 93 28.079 -0.279 15.832 1.00 0.00 H new ATOM 1468 N HIS A 94 25.477 -0.307 10.731 1.00 0.00 N ATOM 1469 CA HIS A 94 26.136 0.801 10.050 1.00 0.00 C ATOM 1470 C HIS A 94 26.708 0.305 8.729 1.00 0.00 C ATOM 1471 O HIS A 94 26.272 0.721 7.656 1.00 0.00 O ATOM 1472 CB HIS A 94 27.240 1.403 10.930 1.00 0.00 C ATOM 1473 CG HIS A 94 27.655 2.783 10.516 1.00 0.00 C ATOM 1474 ND1 HIS A 94 28.821 3.378 10.942 1.00 0.00 N ATOM 1475 CD2 HIS A 94 27.041 3.692 9.722 1.00 0.00 C ATOM 1476 CE1 HIS A 94 28.907 4.590 10.428 1.00 0.00 C ATOM 1477 NE2 HIS A 94 27.840 4.806 9.683 1.00 0.00 N ATOM 0 H HIS A 94 25.687 -1.224 10.338 1.00 0.00 H new ATOM 0 HA HIS A 94 25.407 1.587 9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 94 26.894 1.432 11.963 1.00 0.00 H new ATOM 0 HB3 HIS A 94 28.111 0.748 10.904 1.00 0.00 H new ATOM 0 HD2 HIS A 94 26.097 3.564 9.214 1.00 0.00 H new ATOM 0 HE1 HIS A 94 29.715 5.288 10.590 1.00 0.00 H new ATOM 0 HE2 HIS A 94 27.642 5.661 9.163 1.00 0.00 H new ATOM 1486 N HIS A 95 27.677 -0.598 8.816 1.00 0.00 N ATOM 1487 CA HIS A 95 28.169 -1.306 7.641 1.00 0.00 C ATOM 1488 C HIS A 95 27.290 -2.522 7.419 1.00 0.00 C ATOM 1489 O HIS A 95 26.719 -2.716 6.345 1.00 0.00 O ATOM 1490 CB HIS A 95 29.624 -1.758 7.819 1.00 0.00 C ATOM 1491 CG HIS A 95 30.626 -0.647 7.838 1.00 0.00 C ATOM 1492 ND1 HIS A 95 31.414 -0.331 6.756 1.00 0.00 N ATOM 1493 CD2 HIS A 95 30.992 0.200 8.825 1.00 0.00 C ATOM 1494 CE1 HIS A 95 32.224 0.661 7.076 1.00 0.00 C ATOM 1495 NE2 HIS A 95 31.988 1.003 8.327 1.00 0.00 N ATOM 0 H HIS A 95 28.138 -0.857 9.688 1.00 0.00 H new ATOM 0 HA HIS A 95 28.134 -0.632 6.785 1.00 0.00 H new ATOM 0 HB2 HIS A 95 29.705 -2.318 8.751 1.00 0.00 H new ATOM 0 HB3 HIS A 95 29.878 -2.445 7.011 1.00 0.00 H new ATOM 0 HD2 HIS A 95 30.578 0.238 9.822 1.00 0.00 H new ATOM 0 HE1 HIS A 95 32.955 1.115 6.424 1.00 0.00 H new ATOM 0 HE2 HIS A 95 32.467 1.743 8.841 1.00 0.00 H new ATOM 1504 N HIS A 96 27.198 -3.331 8.463 1.00 0.00 N ATOM 1505 CA HIS A 96 26.295 -4.468 8.509 1.00 0.00 C ATOM 1506 C HIS A 96 25.804 -4.645 9.934 1.00 0.00 C ATOM 1507 O HIS A 96 24.727 -4.110 10.266 1.00 0.00 O ATOM 1508 CB HIS A 96 26.984 -5.752 8.030 1.00 0.00 C ATOM 1509 CG HIS A 96 27.112 -5.849 6.545 1.00 0.00 C ATOM 1510 ND1 HIS A 96 28.317 -5.999 5.896 1.00 0.00 N ATOM 1511 CD2 HIS A 96 26.168 -5.827 5.576 1.00 0.00 C ATOM 1512 CE1 HIS A 96 28.109 -6.063 4.595 1.00 0.00 C ATOM 1513 NE2 HIS A 96 26.812 -5.963 4.372 1.00 0.00 N ATOM 1514 OXT HIS A 96 26.533 -5.267 10.735 1.00 0.00 O ATOM 0 H HIS A 96 27.754 -3.215 9.310 1.00 0.00 H new ATOM 0 HA HIS A 96 25.456 -4.276 7.841 1.00 0.00 H new ATOM 0 HB2 HIS A 96 27.977 -5.808 8.475 1.00 0.00 H new ATOM 0 HB3 HIS A 96 26.422 -6.612 8.394 1.00 0.00 H new ATOM 0 HD2 HIS A 96 25.103 -5.722 5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 96 28.872 -6.178 3.839 1.00 0.00 H new ATOM 0 HE2 HIS A 96 26.363 -5.983 3.456 1.00 0.00 H new TER 1523 HIS A 96