USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 669 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 59 LYS NZ :NH3+ 163:sc= -0.28 (180deg=-0.387) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.659 K(o=-0.94,f=-4.4) USER MOD Single : A 1 MET CE :methyl 150:sc= -0.183 (180deg=-0.339) USER MOD Single : A 1 MET N :NH3+ -103:sc= -0.221! (180deg=-5.15!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -128:sc= -0.0133 (180deg=-0.291) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.39! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0754 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.992 F(o=-2.3,f=-0.99) USER MOD Single : A 45 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-1.8) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.27 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 32:sc= 0.764 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -131:sc= 0.066 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 57 THR OG1 : rot 85:sc= 1.3 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.189 F(o=-1.9,f=-0.19) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.529 F(o=-1.4!,f=-0.53) USER MOD Single : A 84 HIS : no HD1:sc= -0.7 X(o=-0.7,f=-0.39) USER MOD Single : A 85 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-2.5) USER MOD Single : A 86 HIS : no HD1:sc=-0.00723 X(o=-0.0072,f=0) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -1.04 F(o=-2.6,f=-1) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.122 -31.247 -4.480 1.00 0.00 N ATOM 2 CA MET A 1 3.887 -30.689 -3.856 1.00 0.00 C ATOM 3 C MET A 1 4.222 -29.382 -3.133 1.00 0.00 C ATOM 4 O MET A 1 3.939 -29.232 -1.943 1.00 0.00 O ATOM 5 CB MET A 1 3.310 -31.713 -2.869 1.00 0.00 C ATOM 6 CG MET A 1 4.404 -32.187 -1.903 1.00 0.00 C ATOM 7 SD MET A 1 5.325 -33.557 -2.648 1.00 0.00 S ATOM 8 CE MET A 1 6.973 -33.051 -2.091 1.00 0.00 C ATOM 0 H1 MET A 1 5.110 -31.058 -5.503 1.00 0.00 H new ATOM 0 H2 MET A 1 5.959 -30.799 -4.055 1.00 0.00 H new ATOM 0 H3 MET A 1 5.159 -32.274 -4.318 1.00 0.00 H new ATOM 0 HA MET A 1 3.145 -30.482 -4.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.488 -31.267 -2.309 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.901 -32.564 -3.413 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.081 -31.364 -1.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.958 -32.506 -0.961 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.597 -33.934 -1.953 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.426 -32.400 -2.839 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.889 -32.514 -1.146 1.00 0.00 H new ATOM 20 N PRO A 2 4.810 -28.440 -3.830 1.00 0.00 N ATOM 21 CA PRO A 2 5.186 -27.119 -3.250 1.00 0.00 C ATOM 22 C PRO A 2 4.059 -26.521 -2.409 1.00 0.00 C ATOM 23 O PRO A 2 2.892 -26.558 -2.804 1.00 0.00 O ATOM 24 CB PRO A 2 5.483 -26.232 -4.471 1.00 0.00 C ATOM 25 CG PRO A 2 5.258 -27.074 -5.691 1.00 0.00 C ATOM 26 CD PRO A 2 5.189 -28.530 -5.243 1.00 0.00 C ATOM 0 HA PRO A 2 6.037 -27.207 -2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.831 -25.358 -4.480 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.509 -25.865 -4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.334 -26.784 -6.191 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.067 -26.932 -6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.455 -29.092 -5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.147 -29.034 -5.369 1.00 0.00 H new ATOM 34 N THR A 3 4.420 -25.975 -1.250 1.00 0.00 N ATOM 35 CA THR A 3 3.436 -25.372 -0.351 1.00 0.00 C ATOM 36 C THR A 3 2.670 -24.256 -1.053 1.00 0.00 C ATOM 37 O THR A 3 3.105 -23.743 -2.085 1.00 0.00 O ATOM 38 CB THR A 3 4.129 -24.804 0.895 1.00 0.00 C ATOM 39 OG1 THR A 3 5.515 -24.626 0.634 1.00 0.00 O ATOM 40 CG2 THR A 3 3.947 -25.766 2.070 1.00 0.00 C ATOM 0 H THR A 3 5.381 -25.937 -0.911 1.00 0.00 H new ATOM 0 HA THR A 3 2.734 -26.151 -0.054 1.00 0.00 H new ATOM 0 HB THR A 3 3.683 -23.841 1.145 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.954 -24.262 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.440 -25.359 2.953 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.884 -25.893 2.275 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.387 -26.732 1.821 1.00 0.00 H new ATOM 48 N GLU A 4 1.532 -23.885 -0.476 1.00 0.00 N ATOM 49 CA GLU A 4 0.704 -22.825 -1.037 1.00 0.00 C ATOM 50 C GLU A 4 -0.106 -22.151 0.066 1.00 0.00 C ATOM 51 O GLU A 4 -1.258 -21.764 -0.137 1.00 0.00 O ATOM 52 CB GLU A 4 -0.239 -23.401 -2.101 1.00 0.00 C ATOM 53 CG GLU A 4 -0.601 -22.309 -3.114 1.00 0.00 C ATOM 54 CD GLU A 4 -1.881 -22.684 -3.855 1.00 0.00 C ATOM 55 OE1 GLU A 4 -1.849 -23.648 -4.603 1.00 0.00 O ATOM 56 OE2 GLU A 4 -2.874 -22.000 -3.666 1.00 0.00 O ATOM 0 H GLU A 4 1.163 -24.302 0.378 1.00 0.00 H new ATOM 0 HA GLU A 4 1.353 -22.083 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.239 -24.239 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.143 -23.788 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.734 -21.356 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.215 -22.177 -3.825 1.00 0.00 H new ATOM 63 N ASN A 5 0.516 -22.010 1.235 1.00 0.00 N ATOM 64 CA ASN A 5 -0.143 -21.380 2.378 1.00 0.00 C ATOM 65 C ASN A 5 0.410 -19.970 2.600 1.00 0.00 C ATOM 66 O ASN A 5 -0.361 -19.023 2.767 1.00 0.00 O ATOM 67 CB ASN A 5 0.076 -22.228 3.637 1.00 0.00 C ATOM 68 CG ASN A 5 -1.252 -22.453 4.353 1.00 0.00 C ATOM 69 OD1 ASN A 5 -1.785 -23.564 4.341 1.00 0.00 O ATOM 70 ND2 ASN A 5 -1.823 -21.459 4.978 1.00 0.00 N ATOM 0 H ASN A 5 1.470 -22.322 1.416 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.211 -21.310 2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.520 -23.186 3.367 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.778 -21.728 4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.712 -21.601 5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.380 -20.540 4.987 1.00 0.00 H new ATOM 77 N PRO A 6 1.713 -19.805 2.582 1.00 0.00 N ATOM 78 CA PRO A 6 2.360 -18.475 2.759 1.00 0.00 C ATOM 79 C PRO A 6 2.285 -17.649 1.473 1.00 0.00 C ATOM 80 O PRO A 6 3.304 -17.194 0.948 1.00 0.00 O ATOM 81 CB PRO A 6 3.819 -18.808 3.128 1.00 0.00 C ATOM 82 CG PRO A 6 3.933 -20.303 3.139 1.00 0.00 C ATOM 83 CD PRO A 6 2.719 -20.854 2.399 1.00 0.00 C ATOM 0 HA PRO A 6 1.869 -17.871 3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.509 -18.373 2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.075 -18.394 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.856 -20.622 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.963 -20.679 4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.934 -21.027 1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.390 -21.805 2.817 1.00 0.00 H new ATOM 91 N THR A 7 1.067 -17.473 0.966 1.00 0.00 N ATOM 92 CA THR A 7 0.854 -16.720 -0.267 1.00 0.00 C ATOM 93 C THR A 7 1.117 -15.230 -0.047 1.00 0.00 C ATOM 94 O THR A 7 1.434 -14.801 1.063 1.00 0.00 O ATOM 95 CB THR A 7 -0.585 -16.922 -0.761 1.00 0.00 C ATOM 96 OG1 THR A 7 -1.480 -16.186 0.064 1.00 0.00 O ATOM 97 CG2 THR A 7 -0.947 -18.410 -0.711 1.00 0.00 C ATOM 0 H THR A 7 0.215 -17.841 1.389 1.00 0.00 H new ATOM 0 HA THR A 7 1.553 -17.089 -1.018 1.00 0.00 H new ATOM 0 HB THR A 7 -0.664 -16.568 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.398 -16.314 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.969 -18.548 -1.063 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.265 -18.972 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.864 -18.770 0.314 1.00 0.00 H new ATOM 105 N MET A 8 0.987 -14.450 -1.120 1.00 0.00 N ATOM 106 CA MET A 8 1.214 -13.006 -1.049 1.00 0.00 C ATOM 107 C MET A 8 0.454 -12.396 0.123 1.00 0.00 C ATOM 108 O MET A 8 1.030 -11.683 0.944 1.00 0.00 O ATOM 109 CB MET A 8 0.754 -12.339 -2.349 1.00 0.00 C ATOM 110 CG MET A 8 1.749 -12.645 -3.469 1.00 0.00 C ATOM 111 SD MET A 8 1.615 -14.387 -3.947 1.00 0.00 S ATOM 112 CE MET A 8 0.140 -14.231 -4.986 1.00 0.00 C ATOM 0 H MET A 8 0.727 -14.792 -2.045 1.00 0.00 H new ATOM 0 HA MET A 8 2.281 -12.837 -0.906 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.238 -12.700 -2.622 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.673 -11.261 -2.207 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.551 -12.006 -4.329 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.764 -12.426 -3.137 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.606 -14.961 -4.671 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.271 -13.226 -4.886 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.408 -14.412 -6.027 1.00 0.00 H new ATOM 122 N PHE A 9 -0.843 -12.688 0.184 1.00 0.00 N ATOM 123 CA PHE A 9 -1.702 -12.175 1.248 1.00 0.00 C ATOM 124 C PHE A 9 -0.995 -12.234 2.601 1.00 0.00 C ATOM 125 O PHE A 9 -1.120 -11.324 3.417 1.00 0.00 O ATOM 126 CB PHE A 9 -2.989 -13.002 1.301 1.00 0.00 C ATOM 127 CG PHE A 9 -3.971 -12.373 2.262 1.00 0.00 C ATOM 128 CD1 PHE A 9 -3.955 -12.731 3.616 1.00 0.00 C ATOM 129 CD2 PHE A 9 -4.905 -11.439 1.797 1.00 0.00 C ATOM 130 CE1 PHE A 9 -4.871 -12.152 4.504 1.00 0.00 C ATOM 131 CE2 PHE A 9 -5.822 -10.863 2.684 1.00 0.00 C ATOM 132 CZ PHE A 9 -5.804 -11.220 4.037 1.00 0.00 C ATOM 0 H PHE A 9 -1.324 -13.280 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.937 -11.133 1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.431 -13.065 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.763 -14.021 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.237 -13.453 3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.918 -11.163 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.857 -12.425 5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.543 -10.144 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.511 -10.775 4.722 1.00 0.00 H new ATOM 142 N ASP A 10 -0.255 -13.313 2.824 1.00 0.00 N ATOM 143 CA ASP A 10 0.474 -13.493 4.076 1.00 0.00 C ATOM 144 C ASP A 10 1.471 -12.354 4.302 1.00 0.00 C ATOM 145 O ASP A 10 1.376 -11.617 5.281 1.00 0.00 O ATOM 146 CB ASP A 10 1.216 -14.835 4.048 1.00 0.00 C ATOM 147 CG ASP A 10 1.691 -15.227 5.450 1.00 0.00 C ATOM 148 OD1 ASP A 10 1.218 -14.641 6.412 1.00 0.00 O ATOM 149 OD2 ASP A 10 2.523 -16.116 5.540 1.00 0.00 O ATOM 0 H ASP A 10 -0.143 -14.076 2.156 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.243 -13.485 4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.559 -15.610 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.071 -14.768 3.376 1.00 0.00 H new ATOM 154 N GLN A 11 2.435 -12.237 3.390 1.00 0.00 N ATOM 155 CA GLN A 11 3.471 -11.206 3.483 1.00 0.00 C ATOM 156 C GLN A 11 2.885 -9.805 3.459 1.00 0.00 C ATOM 157 O GLN A 11 3.111 -9.021 4.376 1.00 0.00 O ATOM 158 CB GLN A 11 4.451 -11.356 2.315 1.00 0.00 C ATOM 159 CG GLN A 11 5.891 -11.232 2.824 1.00 0.00 C ATOM 160 CD GLN A 11 6.878 -11.469 1.683 1.00 0.00 C ATOM 161 OE1 GLN A 11 6.517 -11.224 0.452 1.00 0.00 O flip ATOM 162 NE2 GLN A 11 8.012 -11.888 1.919 1.00 0.00 N flip ATOM 0 H GLN A 11 2.521 -12.845 2.575 1.00 0.00 H new ATOM 0 HA GLN A 11 3.984 -11.342 4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.309 -12.322 1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.254 -10.591 1.563 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.049 -10.242 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.066 -11.954 3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.295 -12.080 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.668 -12.043 1.153 1.00 0.00 H new ATOM 171 N VAL A 12 2.154 -9.489 2.401 1.00 0.00 N ATOM 172 CA VAL A 12 1.570 -8.165 2.272 1.00 0.00 C ATOM 173 C VAL A 12 0.810 -7.797 3.530 1.00 0.00 C ATOM 174 O VAL A 12 1.132 -6.811 4.191 1.00 0.00 O ATOM 175 CB VAL A 12 0.644 -8.122 1.055 1.00 0.00 C ATOM 176 CG1 VAL A 12 1.402 -8.658 -0.140 1.00 0.00 C ATOM 177 CG2 VAL A 12 -0.596 -8.996 1.274 1.00 0.00 C ATOM 0 H VAL A 12 1.953 -10.124 1.628 1.00 0.00 H new ATOM 0 HA VAL A 12 2.370 -7.438 2.132 1.00 0.00 H new ATOM 0 HB VAL A 12 0.323 -7.093 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.758 -8.636 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.282 -8.041 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.712 -9.684 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.236 -8.946 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.289 -10.028 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.146 -8.636 2.143 1.00 0.00 H new ATOM 187 N ALA A 13 -0.192 -8.598 3.861 1.00 0.00 N ATOM 188 CA ALA A 13 -0.978 -8.341 5.044 1.00 0.00 C ATOM 189 C ALA A 13 -0.067 -8.177 6.253 1.00 0.00 C ATOM 190 O ALA A 13 -0.274 -7.299 7.089 1.00 0.00 O ATOM 191 CB ALA A 13 -1.965 -9.482 5.296 1.00 0.00 C ATOM 0 H ALA A 13 -0.473 -9.422 3.329 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.539 -7.420 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.547 -9.268 6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.636 -9.578 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.416 -10.414 5.434 1.00 0.00 H new ATOM 197 N GLU A 14 0.946 -9.042 6.330 1.00 0.00 N ATOM 198 CA GLU A 14 1.900 -9.007 7.436 1.00 0.00 C ATOM 199 C GLU A 14 2.661 -7.688 7.457 1.00 0.00 C ATOM 200 O GLU A 14 2.658 -6.970 8.460 1.00 0.00 O ATOM 201 CB GLU A 14 2.887 -10.171 7.306 1.00 0.00 C ATOM 202 CG GLU A 14 3.847 -10.177 8.498 1.00 0.00 C ATOM 203 CD GLU A 14 5.019 -9.234 8.236 1.00 0.00 C ATOM 204 OE1 GLU A 14 5.704 -9.430 7.246 1.00 0.00 O ATOM 205 OE2 GLU A 14 5.212 -8.325 9.028 1.00 0.00 O ATOM 0 H GLU A 14 1.125 -9.773 5.641 1.00 0.00 H new ATOM 0 HA GLU A 14 1.346 -9.100 8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.345 -11.115 7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.449 -10.081 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.319 -9.870 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.216 -11.188 8.672 1.00 0.00 H new ATOM 212 N VAL A 15 3.326 -7.389 6.346 1.00 0.00 N ATOM 213 CA VAL A 15 4.114 -6.165 6.234 1.00 0.00 C ATOM 214 C VAL A 15 3.240 -4.926 6.422 1.00 0.00 C ATOM 215 O VAL A 15 3.586 -4.029 7.189 1.00 0.00 O ATOM 216 CB VAL A 15 4.794 -6.115 4.863 1.00 0.00 C ATOM 217 CG1 VAL A 15 5.592 -4.817 4.736 1.00 0.00 C ATOM 218 CG2 VAL A 15 5.743 -7.309 4.719 1.00 0.00 C ATOM 0 H VAL A 15 3.336 -7.975 5.512 1.00 0.00 H new ATOM 0 HA VAL A 15 4.869 -6.171 7.020 1.00 0.00 H new ATOM 0 HB VAL A 15 4.035 -6.155 4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.076 -4.781 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.920 -3.965 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.350 -4.778 5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.227 -7.273 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.501 -7.268 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.177 -8.236 4.810 1.00 0.00 H new ATOM 228 N ILE A 16 2.115 -4.883 5.714 1.00 0.00 N ATOM 229 CA ILE A 16 1.201 -3.747 5.807 1.00 0.00 C ATOM 230 C ILE A 16 0.806 -3.493 7.260 1.00 0.00 C ATOM 231 O ILE A 16 0.948 -2.379 7.759 1.00 0.00 O ATOM 232 CB ILE A 16 -0.049 -4.013 4.956 1.00 0.00 C ATOM 233 CG1 ILE A 16 0.335 -3.967 3.472 1.00 0.00 C ATOM 234 CG2 ILE A 16 -1.113 -2.946 5.240 1.00 0.00 C ATOM 235 CD1 ILE A 16 -0.659 -4.795 2.653 1.00 0.00 C ATOM 0 H ILE A 16 1.815 -5.617 5.073 1.00 0.00 H new ATOM 0 HA ILE A 16 1.707 -2.859 5.429 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.453 -4.994 5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.340 -2.935 3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.344 -4.355 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.996 -3.142 4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.385 -2.975 6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.715 -1.961 4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.382 -4.759 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.642 -5.829 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.662 -4.387 2.778 1.00 0.00 H new ATOM 247 N GLU A 17 0.314 -4.534 7.928 1.00 0.00 N ATOM 248 CA GLU A 17 -0.095 -4.415 9.325 1.00 0.00 C ATOM 249 C GLU A 17 1.015 -3.777 10.158 1.00 0.00 C ATOM 250 O GLU A 17 0.769 -2.865 10.947 1.00 0.00 O ATOM 251 CB GLU A 17 -0.424 -5.801 9.891 1.00 0.00 C ATOM 252 CG GLU A 17 -1.389 -5.667 11.075 1.00 0.00 C ATOM 253 CD GLU A 17 -0.712 -4.932 12.230 1.00 0.00 C ATOM 254 OE1 GLU A 17 0.316 -5.405 12.688 1.00 0.00 O ATOM 255 OE2 GLU A 17 -1.230 -3.904 12.636 1.00 0.00 O ATOM 0 H GLU A 17 0.189 -5.464 7.527 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.980 -3.780 9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.871 -6.423 9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.491 -6.299 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.283 -5.126 10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.712 -6.655 11.403 1.00 0.00 H new ATOM 262 N ARG A 18 2.235 -4.268 9.978 1.00 0.00 N ATOM 263 CA ARG A 18 3.380 -3.747 10.717 1.00 0.00 C ATOM 264 C ARG A 18 3.673 -2.297 10.326 1.00 0.00 C ATOM 265 O ARG A 18 4.043 -1.483 11.170 1.00 0.00 O ATOM 266 CB ARG A 18 4.608 -4.615 10.431 1.00 0.00 C ATOM 267 CG ARG A 18 5.668 -4.395 11.516 1.00 0.00 C ATOM 268 CD ARG A 18 5.342 -5.256 12.742 1.00 0.00 C ATOM 269 NE ARG A 18 5.811 -4.597 13.957 1.00 0.00 N ATOM 270 CZ ARG A 18 6.755 -5.143 14.718 1.00 0.00 C ATOM 271 NH1 ARG A 18 8.011 -4.900 14.472 1.00 0.00 N ATOM 272 NH2 ARG A 18 6.423 -5.921 15.712 1.00 0.00 N ATOM 0 H ARG A 18 2.457 -5.023 9.330 1.00 0.00 H new ATOM 0 HA ARG A 18 3.146 -3.773 11.781 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.321 -5.666 10.399 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.020 -4.367 9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.655 -4.653 11.131 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.701 -3.342 11.798 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.267 -5.424 12.802 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.813 -6.234 12.645 1.00 0.00 H new ATOM 0 HE ARG A 18 5.407 -3.700 14.228 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.270 -4.291 13.696 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.735 -5.319 15.056 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.439 -6.110 15.905 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.147 -6.340 16.296 1.00 0.00 H new ATOM 286 N LEU A 19 3.520 -1.992 9.040 1.00 0.00 N ATOM 287 CA LEU A 19 3.786 -0.644 8.539 1.00 0.00 C ATOM 288 C LEU A 19 2.654 0.328 8.880 1.00 0.00 C ATOM 289 O LEU A 19 2.876 1.536 8.970 1.00 0.00 O ATOM 290 CB LEU A 19 3.971 -0.687 7.020 1.00 0.00 C ATOM 291 CG LEU A 19 4.728 0.564 6.561 1.00 0.00 C ATOM 292 CD1 LEU A 19 6.235 0.345 6.721 1.00 0.00 C ATOM 293 CD2 LEU A 19 4.406 0.847 5.091 1.00 0.00 C ATOM 0 H LEU A 19 3.215 -2.656 8.328 1.00 0.00 H new ATOM 0 HA LEU A 19 4.695 -0.287 9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.522 -1.583 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.001 -0.739 6.526 1.00 0.00 H new ATOM 0 HG LEU A 19 4.421 1.414 7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.769 1.237 6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.465 0.148 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.545 -0.507 6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.945 1.737 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.709 -0.004 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.334 1.010 4.978 1.00 0.00 H new ATOM 305 N ARG A 20 1.445 -0.201 9.048 1.00 0.00 N ATOM 306 CA ARG A 20 0.277 0.630 9.359 1.00 0.00 C ATOM 307 C ARG A 20 0.611 1.745 10.357 1.00 0.00 C ATOM 308 O ARG A 20 0.458 2.925 10.043 1.00 0.00 O ATOM 309 CB ARG A 20 -0.850 -0.239 9.924 1.00 0.00 C ATOM 310 CG ARG A 20 -1.915 -0.468 8.849 1.00 0.00 C ATOM 311 CD ARG A 20 -3.045 -1.318 9.430 1.00 0.00 C ATOM 312 NE ARG A 20 -4.258 -1.158 8.635 1.00 0.00 N ATOM 313 CZ ARG A 20 -5.447 -1.009 9.215 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.738 -1.687 10.291 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.322 -0.185 8.708 1.00 0.00 N ATOM 0 H ARG A 20 1.245 -1.199 8.975 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.043 1.099 8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.450 -1.195 10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.295 0.246 10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.306 0.487 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.475 -0.968 7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.749 -2.367 9.447 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.237 -1.024 10.462 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.194 -1.160 7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.054 -2.331 10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.649 -1.573 10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.095 0.345 7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.233 -0.071 9.153 1.00 0.00 H new ATOM 329 N PRO A 21 1.045 1.394 11.547 1.00 0.00 N ATOM 330 CA PRO A 21 1.388 2.382 12.614 1.00 0.00 C ATOM 331 C PRO A 21 2.197 3.575 12.094 1.00 0.00 C ATOM 332 O PRO A 21 2.019 4.701 12.560 1.00 0.00 O ATOM 333 CB PRO A 21 2.201 1.575 13.641 1.00 0.00 C ATOM 334 CG PRO A 21 2.294 0.173 13.122 1.00 0.00 C ATOM 335 CD PRO A 21 1.256 0.021 12.015 1.00 0.00 C ATOM 0 HA PRO A 21 0.486 2.826 13.035 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.194 2.005 13.770 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.716 1.594 14.617 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.294 -0.028 12.739 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.109 -0.544 13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.616 -0.624 11.214 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.333 -0.421 12.390 1.00 0.00 H new ATOM 343 N PHE A 22 3.084 3.323 11.133 1.00 0.00 N ATOM 344 CA PHE A 22 3.909 4.390 10.569 1.00 0.00 C ATOM 345 C PHE A 22 3.087 5.258 9.624 1.00 0.00 C ATOM 346 O PHE A 22 3.141 6.490 9.686 1.00 0.00 O ATOM 347 CB PHE A 22 5.093 3.787 9.808 1.00 0.00 C ATOM 348 CG PHE A 22 6.101 3.252 10.796 1.00 0.00 C ATOM 349 CD1 PHE A 22 6.921 4.136 11.505 1.00 0.00 C ATOM 350 CD2 PHE A 22 6.212 1.873 11.006 1.00 0.00 C ATOM 351 CE1 PHE A 22 7.854 3.642 12.425 1.00 0.00 C ATOM 352 CE2 PHE A 22 7.143 1.377 11.926 1.00 0.00 C ATOM 353 CZ PHE A 22 7.965 2.263 12.635 1.00 0.00 C ATOM 0 H PHE A 22 3.249 2.400 10.732 1.00 0.00 H new ATOM 0 HA PHE A 22 4.278 5.009 11.386 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.749 2.987 9.152 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.555 4.543 9.173 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.835 5.200 11.343 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.579 1.191 10.458 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.487 4.325 12.972 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.228 0.313 12.089 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.685 1.881 13.344 1.00 0.00 H new ATOM 363 N LEU A 23 2.321 4.608 8.756 1.00 0.00 N ATOM 364 CA LEU A 23 1.482 5.319 7.801 1.00 0.00 C ATOM 365 C LEU A 23 0.502 6.236 8.524 1.00 0.00 C ATOM 366 O LEU A 23 0.232 7.341 8.075 1.00 0.00 O ATOM 367 CB LEU A 23 0.711 4.313 6.940 1.00 0.00 C ATOM 368 CG LEU A 23 1.366 4.207 5.559 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.815 3.733 5.708 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.588 3.208 4.698 1.00 0.00 C ATOM 0 H LEU A 23 2.264 3.591 8.694 1.00 0.00 H new ATOM 0 HA LEU A 23 2.122 5.929 7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.702 3.337 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.327 4.628 6.837 1.00 0.00 H new ATOM 0 HG LEU A 23 1.355 5.186 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.277 3.659 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.370 4.447 6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.830 2.756 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.055 3.133 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.596 2.230 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.441 3.549 4.586 1.00 0.00 H new ATOM 382 N LEU A 24 -0.024 5.765 9.648 1.00 0.00 N ATOM 383 CA LEU A 24 -0.976 6.551 10.428 1.00 0.00 C ATOM 384 C LEU A 24 -0.402 7.926 10.775 1.00 0.00 C ATOM 385 O LEU A 24 -0.983 8.958 10.437 1.00 0.00 O ATOM 386 CB LEU A 24 -1.324 5.796 11.720 1.00 0.00 C ATOM 387 CG LEU A 24 -2.757 6.130 12.149 1.00 0.00 C ATOM 388 CD1 LEU A 24 -3.153 5.252 13.341 1.00 0.00 C ATOM 389 CD2 LEU A 24 -2.844 7.607 12.555 1.00 0.00 C ATOM 0 H LEU A 24 0.190 4.848 10.040 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.875 6.698 9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.223 4.722 11.562 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.625 6.069 12.511 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.434 5.942 11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.172 5.490 13.646 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.096 4.202 13.054 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.473 5.439 14.172 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.864 7.841 12.859 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.165 7.796 13.386 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.565 8.234 11.708 1.00 0.00 H new ATOM 401 N ARG A 25 0.731 7.923 11.470 1.00 0.00 N ATOM 402 CA ARG A 25 1.379 9.164 11.892 1.00 0.00 C ATOM 403 C ARG A 25 1.693 10.093 10.715 1.00 0.00 C ATOM 404 O ARG A 25 1.647 11.314 10.868 1.00 0.00 O ATOM 405 CB ARG A 25 2.672 8.838 12.645 1.00 0.00 C ATOM 406 CG ARG A 25 2.343 8.430 14.087 1.00 0.00 C ATOM 407 CD ARG A 25 2.413 9.653 15.007 1.00 0.00 C ATOM 408 NE ARG A 25 1.316 10.571 14.719 1.00 0.00 N ATOM 409 CZ ARG A 25 0.341 10.778 15.600 1.00 0.00 C ATOM 410 NH1 ARG A 25 -0.720 10.022 15.587 1.00 0.00 N ATOM 411 NH2 ARG A 25 0.446 11.739 16.476 1.00 0.00 N ATOM 0 H ARG A 25 1.221 7.075 11.754 1.00 0.00 H new ATOM 0 HA ARG A 25 0.680 9.689 12.544 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.204 8.031 12.141 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.333 9.705 12.644 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.347 7.989 14.130 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.045 7.668 14.427 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.366 9.335 16.049 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.367 10.163 14.872 1.00 0.00 H new ATOM 0 HE ARG A 25 1.296 11.063 13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.803 9.271 14.901 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.468 10.181 16.263 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.276 12.332 16.486 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.302 11.897 17.151 1.00 0.00 H new ATOM 425 N ASP A 26 2.038 9.531 9.556 1.00 0.00 N ATOM 426 CA ASP A 26 2.380 10.367 8.401 1.00 0.00 C ATOM 427 C ASP A 26 1.225 10.489 7.405 1.00 0.00 C ATOM 428 O ASP A 26 0.774 11.597 7.109 1.00 0.00 O ATOM 429 CB ASP A 26 3.606 9.786 7.693 1.00 0.00 C ATOM 430 CG ASP A 26 4.844 9.968 8.567 1.00 0.00 C ATOM 431 OD1 ASP A 26 5.329 11.085 8.650 1.00 0.00 O ATOM 432 OD2 ASP A 26 5.287 8.989 9.145 1.00 0.00 O ATOM 0 H ASP A 26 2.088 8.526 9.391 1.00 0.00 H new ATOM 0 HA ASP A 26 2.595 11.368 8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.449 8.728 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.752 10.281 6.733 1.00 0.00 H new ATOM 437 N GLY A 27 0.759 9.360 6.880 1.00 0.00 N ATOM 438 CA GLY A 27 -0.333 9.375 5.906 1.00 0.00 C ATOM 439 C GLY A 27 -1.680 9.087 6.562 1.00 0.00 C ATOM 440 O GLY A 27 -2.488 9.995 6.772 1.00 0.00 O ATOM 0 H GLY A 27 1.114 8.431 7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.368 10.347 5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.140 8.633 5.131 1.00 0.00 H new ATOM 444 N GLY A 28 -1.918 7.817 6.880 1.00 0.00 N ATOM 445 CA GLY A 28 -3.172 7.414 7.509 1.00 0.00 C ATOM 446 C GLY A 28 -3.214 5.905 7.728 1.00 0.00 C ATOM 447 O GLY A 28 -2.208 5.290 8.079 1.00 0.00 O ATOM 0 H GLY A 28 -1.263 7.053 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.285 7.927 8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.011 7.718 6.883 1.00 0.00 H new ATOM 451 N ASP A 29 -4.388 5.314 7.521 1.00 0.00 N ATOM 452 CA ASP A 29 -4.556 3.876 7.703 1.00 0.00 C ATOM 453 C ASP A 29 -4.874 3.199 6.375 1.00 0.00 C ATOM 454 O ASP A 29 -5.821 3.577 5.685 1.00 0.00 O ATOM 455 CB ASP A 29 -5.685 3.608 8.702 1.00 0.00 C ATOM 456 CG ASP A 29 -5.229 3.948 10.121 1.00 0.00 C ATOM 457 OD1 ASP A 29 -4.141 3.536 10.491 1.00 0.00 O ATOM 458 OD2 ASP A 29 -5.976 4.615 10.817 1.00 0.00 O ATOM 0 H ASP A 29 -5.232 5.806 7.229 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.623 3.465 8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.560 4.204 8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.985 2.561 8.650 1.00 0.00 H new ATOM 463 N CYS A 30 -4.075 2.195 6.027 1.00 0.00 N ATOM 464 CA CYS A 30 -4.273 1.463 4.780 1.00 0.00 C ATOM 465 C CYS A 30 -5.312 0.358 4.968 1.00 0.00 C ATOM 466 O CYS A 30 -5.563 -0.086 6.089 1.00 0.00 O ATOM 467 CB CYS A 30 -2.943 0.860 4.320 1.00 0.00 C ATOM 468 SG CYS A 30 -3.246 -0.359 3.017 1.00 0.00 S ATOM 0 H CYS A 30 -3.287 1.870 6.588 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.637 2.154 4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.285 1.646 3.950 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.436 0.389 5.162 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.115 -0.867 2.627 1.00 0.00 H new ATOM 474 N THR A 31 -5.918 -0.079 3.862 1.00 0.00 N ATOM 475 CA THR A 31 -6.935 -1.128 3.917 1.00 0.00 C ATOM 476 C THR A 31 -6.890 -1.994 2.660 1.00 0.00 C ATOM 477 O THR A 31 -7.171 -1.519 1.558 1.00 0.00 O ATOM 478 CB THR A 31 -8.327 -0.500 4.054 1.00 0.00 C ATOM 479 OG1 THR A 31 -8.312 0.465 5.099 1.00 0.00 O ATOM 480 CG2 THR A 31 -9.356 -1.589 4.375 1.00 0.00 C ATOM 0 H THR A 31 -5.724 0.275 2.925 1.00 0.00 H new ATOM 0 HA THR A 31 -6.730 -1.757 4.783 1.00 0.00 H new ATOM 0 HB THR A 31 -8.598 -0.015 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.201 0.867 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.344 -1.139 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.370 -2.325 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.087 -2.079 5.311 1.00 0.00 H new ATOM 488 N LEU A 32 -6.543 -3.267 2.838 1.00 0.00 N ATOM 489 CA LEU A 32 -6.469 -4.203 1.719 1.00 0.00 C ATOM 490 C LEU A 32 -7.874 -4.578 1.254 1.00 0.00 C ATOM 491 O LEU A 32 -8.700 -5.027 2.051 1.00 0.00 O ATOM 492 CB LEU A 32 -5.707 -5.465 2.140 1.00 0.00 C ATOM 493 CG LEU A 32 -5.019 -6.090 0.921 1.00 0.00 C ATOM 494 CD1 LEU A 32 -3.682 -5.387 0.664 1.00 0.00 C ATOM 495 CD2 LEU A 32 -4.766 -7.578 1.182 1.00 0.00 C ATOM 0 H LEU A 32 -6.309 -3.673 3.744 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.939 -3.724 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.965 -5.216 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.394 -6.183 2.588 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.663 -5.975 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.196 -5.834 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.858 -4.328 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.039 -5.498 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.277 -8.021 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.125 -7.690 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.715 -8.083 1.361 1.00 0.00 H new ATOM 507 N VAL A 33 -8.138 -4.381 -0.034 1.00 0.00 N ATOM 508 CA VAL A 33 -9.449 -4.691 -0.596 1.00 0.00 C ATOM 509 C VAL A 33 -9.434 -6.051 -1.290 1.00 0.00 C ATOM 510 O VAL A 33 -10.327 -6.874 -1.078 1.00 0.00 O ATOM 511 CB VAL A 33 -9.856 -3.601 -1.594 1.00 0.00 C ATOM 512 CG1 VAL A 33 -11.076 -4.062 -2.398 1.00 0.00 C ATOM 513 CG2 VAL A 33 -10.201 -2.316 -0.833 1.00 0.00 C ATOM 0 H VAL A 33 -7.466 -4.010 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.174 -4.728 0.217 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.028 -3.411 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.361 -3.283 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.830 -4.974 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.906 -4.257 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.491 -1.540 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.027 -2.509 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.331 -1.984 -0.267 1.00 0.00 H new ATOM 523 N ASP A 34 -8.420 -6.281 -2.123 1.00 0.00 N ATOM 524 CA ASP A 34 -8.314 -7.548 -2.842 1.00 0.00 C ATOM 525 C ASP A 34 -6.922 -7.722 -3.437 1.00 0.00 C ATOM 526 O ASP A 34 -6.310 -6.759 -3.900 1.00 0.00 O ATOM 527 CB ASP A 34 -9.354 -7.600 -3.966 1.00 0.00 C ATOM 528 CG ASP A 34 -9.757 -9.048 -4.239 1.00 0.00 C ATOM 529 OD1 ASP A 34 -10.364 -9.648 -3.366 1.00 0.00 O ATOM 530 OD2 ASP A 34 -9.450 -9.537 -5.315 1.00 0.00 O ATOM 0 H ASP A 34 -7.670 -5.616 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.496 -8.355 -2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.231 -7.016 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.946 -7.151 -4.871 1.00 0.00 H new ATOM 535 N VAL A 35 -6.438 -8.964 -3.429 1.00 0.00 N ATOM 536 CA VAL A 35 -5.124 -9.273 -3.981 1.00 0.00 C ATOM 537 C VAL A 35 -5.287 -10.021 -5.300 1.00 0.00 C ATOM 538 O VAL A 35 -5.931 -11.070 -5.356 1.00 0.00 O ATOM 539 CB VAL A 35 -4.315 -10.116 -2.984 1.00 0.00 C ATOM 540 CG1 VAL A 35 -4.976 -11.487 -2.790 1.00 0.00 C ATOM 541 CG2 VAL A 35 -2.888 -10.307 -3.510 1.00 0.00 C ATOM 0 H VAL A 35 -6.936 -9.768 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.584 -8.344 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.286 -9.597 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.393 -12.075 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.987 -11.352 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.018 -12.009 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.316 -10.905 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.920 -10.817 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.412 -9.334 -3.631 1.00 0.00 H new ATOM 551 N GLU A 36 -4.718 -9.465 -6.367 1.00 0.00 N ATOM 552 CA GLU A 36 -4.824 -10.083 -7.684 1.00 0.00 C ATOM 553 C GLU A 36 -3.511 -9.954 -8.448 1.00 0.00 C ATOM 554 O GLU A 36 -3.307 -8.994 -9.190 1.00 0.00 O ATOM 555 CB GLU A 36 -5.955 -9.419 -8.477 1.00 0.00 C ATOM 556 CG GLU A 36 -6.463 -10.379 -9.555 1.00 0.00 C ATOM 557 CD GLU A 36 -7.323 -11.471 -8.923 1.00 0.00 C ATOM 558 OE1 GLU A 36 -8.496 -11.220 -8.704 1.00 0.00 O ATOM 559 OE2 GLU A 36 -6.794 -12.541 -8.668 1.00 0.00 O ATOM 0 H GLU A 36 -4.184 -8.596 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.044 -11.143 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.770 -9.146 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.597 -8.498 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.045 -9.831 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.620 -10.828 -10.080 1.00 0.00 H new ATOM 566 N ASP A 37 -2.628 -10.932 -8.255 1.00 0.00 N ATOM 567 CA ASP A 37 -1.323 -10.947 -8.919 1.00 0.00 C ATOM 568 C ASP A 37 -0.551 -9.654 -8.648 1.00 0.00 C ATOM 569 O ASP A 37 0.345 -9.626 -7.803 1.00 0.00 O ATOM 570 CB ASP A 37 -1.495 -11.156 -10.432 1.00 0.00 C ATOM 571 CG ASP A 37 -0.214 -11.742 -11.030 1.00 0.00 C ATOM 572 OD1 ASP A 37 0.854 -11.254 -10.692 1.00 0.00 O ATOM 573 OD2 ASP A 37 -0.320 -12.667 -11.819 1.00 0.00 O ATOM 0 H ASP A 37 -2.793 -11.729 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.747 -11.778 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.334 -11.826 -10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.730 -10.207 -10.914 1.00 0.00 H new ATOM 578 N GLY A 38 -0.896 -8.591 -9.371 1.00 0.00 N ATOM 579 CA GLY A 38 -0.225 -7.303 -9.203 1.00 0.00 C ATOM 580 C GLY A 38 -1.231 -6.164 -9.050 1.00 0.00 C ATOM 581 O GLY A 38 -0.880 -5.077 -8.593 1.00 0.00 O ATOM 0 H GLY A 38 -1.633 -8.595 -10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.421 -7.340 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.416 -7.111 -10.063 1.00 0.00 H new ATOM 585 N ILE A 39 -2.478 -6.420 -9.439 1.00 0.00 N ATOM 586 CA ILE A 39 -3.526 -5.411 -9.342 1.00 0.00 C ATOM 587 C ILE A 39 -4.133 -5.423 -7.943 1.00 0.00 C ATOM 588 O ILE A 39 -5.327 -5.677 -7.770 1.00 0.00 O ATOM 589 CB ILE A 39 -4.613 -5.678 -10.393 1.00 0.00 C ATOM 590 CG1 ILE A 39 -3.963 -5.883 -11.772 1.00 0.00 C ATOM 591 CG2 ILE A 39 -5.572 -4.483 -10.458 1.00 0.00 C ATOM 592 CD1 ILE A 39 -3.530 -7.344 -11.934 1.00 0.00 C ATOM 0 H ILE A 39 -2.785 -7.314 -9.823 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.091 -4.429 -9.529 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.166 -6.575 -10.115 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.668 -5.614 -12.559 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.100 -5.225 -11.878 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.343 -4.675 -11.205 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.039 -4.338 -9.484 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.017 -3.586 -10.732 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.071 -7.481 -12.913 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.810 -7.598 -11.156 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.401 -7.993 -11.848 1.00 0.00 H new ATOM 604 N VAL A 40 -3.299 -5.157 -6.945 1.00 0.00 N ATOM 605 CA VAL A 40 -3.758 -5.145 -5.562 1.00 0.00 C ATOM 606 C VAL A 40 -4.576 -3.885 -5.273 1.00 0.00 C ATOM 607 O VAL A 40 -4.060 -2.762 -5.320 1.00 0.00 O ATOM 608 CB VAL A 40 -2.554 -5.238 -4.605 1.00 0.00 C ATOM 609 CG1 VAL A 40 -2.847 -4.495 -3.293 1.00 0.00 C ATOM 610 CG2 VAL A 40 -2.278 -6.711 -4.285 1.00 0.00 C ATOM 0 H VAL A 40 -2.308 -4.948 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.402 -6.010 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.689 -4.783 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.985 -4.572 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.048 -3.445 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.717 -4.940 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.427 -6.783 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.156 -7.151 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.055 -7.248 -5.207 1.00 0.00 H new ATOM 620 N LYS A 41 -5.855 -4.089 -4.963 1.00 0.00 N ATOM 621 CA LYS A 41 -6.744 -2.980 -4.641 1.00 0.00 C ATOM 622 C LYS A 41 -6.674 -2.702 -3.147 1.00 0.00 C ATOM 623 O LYS A 41 -6.600 -3.628 -2.339 1.00 0.00 O ATOM 624 CB LYS A 41 -8.186 -3.306 -5.041 1.00 0.00 C ATOM 625 CG LYS A 41 -8.209 -3.859 -6.468 1.00 0.00 C ATOM 626 CD LYS A 41 -9.645 -4.204 -6.868 1.00 0.00 C ATOM 627 CE LYS A 41 -9.751 -4.245 -8.393 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.015 -4.924 -8.785 1.00 0.00 N ATOM 0 H LYS A 41 -6.295 -5.008 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.426 -2.099 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.610 -4.035 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.803 -2.410 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.796 -3.124 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.580 -4.747 -6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.930 -5.168 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.335 -3.463 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.729 -3.233 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.896 -4.774 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.087 -4.952 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.018 -5.895 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.825 -4.401 -8.396 1.00 0.00 H new ATOM 642 N LEU A 42 -6.688 -1.429 -2.787 1.00 0.00 N ATOM 643 CA LEU A 42 -6.616 -1.042 -1.385 1.00 0.00 C ATOM 644 C LEU A 42 -7.139 0.377 -1.201 1.00 0.00 C ATOM 645 O LEU A 42 -7.574 1.015 -2.160 1.00 0.00 O ATOM 646 CB LEU A 42 -5.167 -1.151 -0.878 1.00 0.00 C ATOM 647 CG LEU A 42 -4.271 -0.124 -1.586 1.00 0.00 C ATOM 648 CD1 LEU A 42 -2.901 -0.084 -0.903 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.088 -0.518 -3.057 1.00 0.00 C ATOM 0 H LEU A 42 -6.748 -0.649 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.240 -1.719 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.139 -0.986 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.788 -2.157 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.741 0.858 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.265 0.645 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.024 0.201 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.438 -1.069 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.452 0.215 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.622 -1.502 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.060 -0.547 -3.550 1.00 0.00 H new ATOM 661 N GLN A 43 -7.104 0.863 0.035 1.00 0.00 N ATOM 662 CA GLN A 43 -7.585 2.209 0.334 1.00 0.00 C ATOM 663 C GLN A 43 -6.676 2.876 1.358 1.00 0.00 C ATOM 664 O GLN A 43 -5.799 2.231 1.935 1.00 0.00 O ATOM 665 CB GLN A 43 -9.022 2.157 0.878 1.00 0.00 C ATOM 666 CG GLN A 43 -9.751 0.928 0.321 1.00 0.00 C ATOM 667 CD GLN A 43 -11.242 0.998 0.643 1.00 0.00 C ATOM 668 OE1 GLN A 43 -11.676 1.842 1.540 1.00 0.00 O flip ATOM 669 NE2 GLN A 43 -12.036 0.261 0.059 1.00 0.00 N flip ATOM 0 H GLN A 43 -6.750 0.350 0.842 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.575 2.790 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.006 2.118 1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.558 3.065 0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.608 0.872 -0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.323 0.020 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.699 -0.399 -0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.031 0.310 0.276 1.00 0.00 H new ATOM 678 N LEU A 44 -6.888 4.171 1.577 1.00 0.00 N ATOM 679 CA LEU A 44 -6.074 4.916 2.534 1.00 0.00 C ATOM 680 C LEU A 44 -6.877 6.059 3.146 1.00 0.00 C ATOM 681 O LEU A 44 -7.630 6.743 2.452 1.00 0.00 O ATOM 682 CB LEU A 44 -4.829 5.471 1.834 1.00 0.00 C ATOM 683 CG LEU A 44 -3.939 6.195 2.852 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.469 5.866 2.573 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.153 7.708 2.735 1.00 0.00 C ATOM 0 H LEU A 44 -7.609 4.722 1.110 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.769 4.240 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.273 4.660 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.123 6.158 1.041 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.200 5.867 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.837 6.381 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.315 4.790 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.208 6.192 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.520 8.222 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.893 8.035 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.198 7.944 2.935 1.00 0.00 H new ATOM 697 N HIS A 45 -6.712 6.251 4.455 1.00 0.00 N ATOM 698 CA HIS A 45 -7.430 7.304 5.167 1.00 0.00 C ATOM 699 C HIS A 45 -6.767 7.603 6.513 1.00 0.00 C ATOM 700 O HIS A 45 -6.485 6.693 7.292 1.00 0.00 O ATOM 701 CB HIS A 45 -8.880 6.870 5.398 1.00 0.00 C ATOM 702 CG HIS A 45 -8.920 5.723 6.372 1.00 0.00 C ATOM 703 ND1 HIS A 45 -9.287 5.896 7.697 1.00 0.00 N ATOM 704 CD2 HIS A 45 -8.629 4.387 6.235 1.00 0.00 C ATOM 705 CE1 HIS A 45 -9.207 4.696 8.300 1.00 0.00 C ATOM 706 NE2 HIS A 45 -8.810 3.741 7.454 1.00 0.00 N ATOM 0 H HIS A 45 -6.090 5.693 5.040 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.406 8.209 4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -9.463 7.707 5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -9.335 6.573 4.453 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.309 3.911 5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.436 4.525 9.342 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.670 2.751 7.658 1.00 0.00 H new ATOM 714 N GLY A 46 -6.530 8.887 6.780 1.00 0.00 N ATOM 715 CA GLY A 46 -5.907 9.300 8.036 1.00 0.00 C ATOM 716 C GLY A 46 -6.935 9.941 8.962 1.00 0.00 C ATOM 717 O GLY A 46 -6.786 9.911 10.185 1.00 0.00 O ATOM 0 H GLY A 46 -6.758 9.654 6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.457 8.436 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.102 10.006 7.833 1.00 0.00 H new ATOM 721 N ALA A 47 -7.980 10.511 8.366 1.00 0.00 N ATOM 722 CA ALA A 47 -9.046 11.157 9.129 1.00 0.00 C ATOM 723 C ALA A 47 -9.998 11.880 8.184 1.00 0.00 C ATOM 724 O ALA A 47 -11.075 11.376 7.865 1.00 0.00 O ATOM 725 CB ALA A 47 -8.459 12.159 10.130 1.00 0.00 C ATOM 0 H ALA A 47 -8.112 10.539 7.355 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.592 10.389 9.677 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.267 12.630 10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.796 11.638 10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.896 12.922 9.593 1.00 0.00 H new ATOM 731 N CYS A 48 -9.584 13.064 7.739 1.00 0.00 N ATOM 732 CA CYS A 48 -10.393 13.864 6.826 1.00 0.00 C ATOM 733 C CYS A 48 -9.600 15.080 6.356 1.00 0.00 C ATOM 734 O CYS A 48 -9.501 15.342 5.156 1.00 0.00 O ATOM 735 CB CYS A 48 -11.679 14.322 7.522 1.00 0.00 C ATOM 736 SG CYS A 48 -11.277 15.020 9.144 1.00 0.00 S ATOM 0 H CYS A 48 -8.693 13.490 7.996 1.00 0.00 H new ATOM 0 HA CYS A 48 -10.656 13.252 5.963 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -12.190 15.066 6.911 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -12.362 13.480 7.636 1.00 0.00 H new ATOM 0 HG CYS A 48 -12.369 15.410 9.731 1.00 0.00 H new ATOM 742 N GLY A 49 -9.031 15.812 7.315 1.00 0.00 N ATOM 743 CA GLY A 49 -8.235 17.000 7.010 1.00 0.00 C ATOM 744 C GLY A 49 -8.900 17.863 5.943 1.00 0.00 C ATOM 745 O GLY A 49 -10.105 18.115 5.994 1.00 0.00 O ATOM 0 H GLY A 49 -9.107 15.602 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.094 17.587 7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.245 16.698 6.669 1.00 0.00 H new ATOM 749 N THR A 50 -8.099 18.310 4.976 1.00 0.00 N ATOM 750 CA THR A 50 -8.601 19.144 3.886 1.00 0.00 C ATOM 751 C THR A 50 -7.653 19.075 2.690 1.00 0.00 C ATOM 752 O THR A 50 -8.094 18.978 1.544 1.00 0.00 O ATOM 753 CB THR A 50 -8.758 20.601 4.351 1.00 0.00 C ATOM 754 OG1 THR A 50 -8.659 21.476 3.233 1.00 0.00 O ATOM 755 CG2 THR A 50 -7.670 20.950 5.370 1.00 0.00 C ATOM 0 H THR A 50 -7.100 18.108 4.926 1.00 0.00 H new ATOM 0 HA THR A 50 -9.579 18.768 3.585 1.00 0.00 H new ATOM 0 HB THR A 50 -9.736 20.717 4.819 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.761 22.403 3.533 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.791 21.984 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.754 20.289 6.233 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.689 20.825 4.912 1.00 0.00 H new ATOM 763 N CYS A 51 -6.350 19.125 2.965 1.00 0.00 N ATOM 764 CA CYS A 51 -5.345 19.066 1.904 1.00 0.00 C ATOM 765 C CYS A 51 -4.026 18.511 2.444 1.00 0.00 C ATOM 766 O CYS A 51 -3.079 19.261 2.689 1.00 0.00 O ATOM 767 CB CYS A 51 -5.119 20.462 1.318 1.00 0.00 C ATOM 768 SG CYS A 51 -6.315 20.764 -0.006 1.00 0.00 S ATOM 0 H CYS A 51 -5.967 19.206 3.907 1.00 0.00 H new ATOM 0 HA CYS A 51 -5.709 18.402 1.120 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.226 21.216 2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.104 20.545 0.931 1.00 0.00 H new ATOM 0 HG CYS A 51 -7.426 20.144 0.263 1.00 0.00 H new ATOM 774 N PRO A 52 -3.949 17.215 2.634 1.00 0.00 N ATOM 775 CA PRO A 52 -2.722 16.549 3.156 1.00 0.00 C ATOM 776 C PRO A 52 -1.605 16.511 2.119 1.00 0.00 C ATOM 777 O PRO A 52 -1.772 15.952 1.035 1.00 0.00 O ATOM 778 CB PRO A 52 -3.171 15.126 3.517 1.00 0.00 C ATOM 779 CG PRO A 52 -4.633 15.028 3.203 1.00 0.00 C ATOM 780 CD PRO A 52 -5.019 16.249 2.368 1.00 0.00 C ATOM 0 HA PRO A 52 -2.311 17.090 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.605 14.388 2.948 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.990 14.922 4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.845 14.109 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.219 14.994 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.081 16.004 1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.993 16.641 2.661 1.00 0.00 H new ATOM 788 N SER A 53 -0.465 17.100 2.465 1.00 0.00 N ATOM 789 CA SER A 53 0.678 17.121 1.562 1.00 0.00 C ATOM 790 C SER A 53 1.514 15.858 1.747 1.00 0.00 C ATOM 791 O SER A 53 2.165 15.393 0.812 1.00 0.00 O ATOM 792 CB SER A 53 1.534 18.361 1.832 1.00 0.00 C ATOM 793 OG SER A 53 2.772 18.243 1.143 1.00 0.00 O ATOM 0 H SER A 53 -0.309 17.566 3.359 1.00 0.00 H new ATOM 0 HA SER A 53 0.317 17.157 0.534 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.008 19.257 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.710 18.468 2.902 1.00 0.00 H new ATOM 0 HG SER A 53 3.319 19.038 1.315 1.00 0.00 H new ATOM 799 N SER A 54 1.486 15.307 2.960 1.00 0.00 N ATOM 800 CA SER A 54 2.244 14.095 3.259 1.00 0.00 C ATOM 801 C SER A 54 1.661 12.899 2.513 1.00 0.00 C ATOM 802 O SER A 54 2.399 12.072 1.976 1.00 0.00 O ATOM 803 CB SER A 54 2.221 13.817 4.763 1.00 0.00 C ATOM 804 OG SER A 54 2.923 12.608 5.029 1.00 0.00 O ATOM 0 H SER A 54 0.951 15.678 3.745 1.00 0.00 H new ATOM 0 HA SER A 54 3.273 14.248 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.680 14.644 5.304 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.192 13.738 5.114 1.00 0.00 H new ATOM 0 HG SER A 54 2.376 12.032 5.603 1.00 0.00 H new ATOM 810 N THR A 55 0.334 12.810 2.483 1.00 0.00 N ATOM 811 CA THR A 55 -0.333 11.703 1.800 1.00 0.00 C ATOM 812 C THR A 55 -0.083 11.769 0.294 1.00 0.00 C ATOM 813 O THR A 55 0.264 10.766 -0.331 1.00 0.00 O ATOM 814 CB THR A 55 -1.839 11.745 2.080 1.00 0.00 C ATOM 815 OG1 THR A 55 -2.058 12.175 3.417 1.00 0.00 O ATOM 816 CG2 THR A 55 -2.440 10.351 1.885 1.00 0.00 C ATOM 0 H THR A 55 -0.296 13.483 2.919 1.00 0.00 H new ATOM 0 HA THR A 55 0.077 10.767 2.179 1.00 0.00 H new ATOM 0 HB THR A 55 -2.316 12.441 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.021 12.204 3.598 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.511 10.385 2.085 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.273 10.023 0.859 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.965 9.651 2.572 1.00 0.00 H new ATOM 824 N ILE A 56 -0.261 12.955 -0.283 1.00 0.00 N ATOM 825 CA ILE A 56 -0.053 13.142 -1.718 1.00 0.00 C ATOM 826 C ILE A 56 1.382 12.784 -2.107 1.00 0.00 C ATOM 827 O ILE A 56 1.609 12.045 -3.066 1.00 0.00 O ATOM 828 CB ILE A 56 -0.342 14.598 -2.103 1.00 0.00 C ATOM 829 CG1 ILE A 56 -1.827 14.903 -1.870 1.00 0.00 C ATOM 830 CG2 ILE A 56 -0.001 14.822 -3.583 1.00 0.00 C ATOM 831 CD1 ILE A 56 -2.055 16.417 -1.908 1.00 0.00 C ATOM 0 H ILE A 56 -0.547 13.797 0.217 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.736 12.482 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 56 0.268 15.260 -1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.433 14.415 -2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.144 14.502 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.208 15.858 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.055 14.608 -3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.607 14.159 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.111 16.630 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.462 16.894 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.755 16.806 -2.881 1.00 0.00 H new ATOM 843 N THR A 57 2.342 13.322 -1.358 1.00 0.00 N ATOM 844 CA THR A 57 3.755 13.067 -1.630 1.00 0.00 C ATOM 845 C THR A 57 4.100 11.593 -1.429 1.00 0.00 C ATOM 846 O THR A 57 4.787 10.994 -2.258 1.00 0.00 O ATOM 847 CB THR A 57 4.622 13.932 -0.710 1.00 0.00 C ATOM 848 OG1 THR A 57 4.209 15.288 -0.815 1.00 0.00 O ATOM 849 CG2 THR A 57 6.095 13.812 -1.113 1.00 0.00 C ATOM 0 H THR A 57 2.169 13.935 -0.561 1.00 0.00 H new ATOM 0 HA THR A 57 3.953 13.323 -2.671 1.00 0.00 H new ATOM 0 HB THR A 57 4.507 13.591 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.453 15.447 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.704 14.430 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.411 12.772 -1.030 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.219 14.148 -2.142 1.00 0.00 H new ATOM 857 N LEU A 58 3.626 11.013 -0.327 1.00 0.00 N ATOM 858 CA LEU A 58 3.903 9.609 -0.036 1.00 0.00 C ATOM 859 C LEU A 58 3.405 8.719 -1.170 1.00 0.00 C ATOM 860 O LEU A 58 4.181 7.966 -1.754 1.00 0.00 O ATOM 861 CB LEU A 58 3.231 9.191 1.274 1.00 0.00 C ATOM 862 CG LEU A 58 3.746 7.807 1.699 1.00 0.00 C ATOM 863 CD1 LEU A 58 5.194 7.916 2.185 1.00 0.00 C ATOM 864 CD2 LEU A 58 2.868 7.261 2.829 1.00 0.00 C ATOM 0 H LEU A 58 3.055 11.488 0.372 1.00 0.00 H new ATOM 0 HA LEU A 58 4.982 9.491 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.442 9.924 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.149 9.164 1.147 1.00 0.00 H new ATOM 0 HG LEU A 58 3.705 7.132 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.552 6.931 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.820 8.300 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.242 8.594 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.233 6.279 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.907 7.940 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.839 7.174 2.481 1.00 0.00 H new ATOM 876 N LYS A 59 2.111 8.817 -1.477 1.00 0.00 N ATOM 877 CA LYS A 59 1.521 8.018 -2.551 1.00 0.00 C ATOM 878 C LYS A 59 2.394 8.089 -3.799 1.00 0.00 C ATOM 879 O LYS A 59 2.807 7.064 -4.345 1.00 0.00 O ATOM 880 CB LYS A 59 0.108 8.534 -2.868 1.00 0.00 C ATOM 881 CG LYS A 59 -0.351 8.044 -4.252 1.00 0.00 C ATOM 882 CD LYS A 59 -0.255 6.516 -4.337 1.00 0.00 C ATOM 883 CE LYS A 59 -1.075 5.876 -3.216 1.00 0.00 C ATOM 884 NZ LYS A 59 -1.301 4.437 -3.529 1.00 0.00 N ATOM 0 H LYS A 59 1.456 9.437 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 59 1.458 6.980 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.590 8.190 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.099 9.624 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.378 8.361 -4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.266 8.497 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.619 6.174 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.787 6.204 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.551 5.975 -2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.030 6.391 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.595 3.936 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.046 4.351 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.420 4.018 -3.890 1.00 0.00 H new ATOM 898 N ALA A 60 2.673 9.309 -4.239 1.00 0.00 N ATOM 899 CA ALA A 60 3.498 9.519 -5.420 1.00 0.00 C ATOM 900 C ALA A 60 4.882 8.898 -5.240 1.00 0.00 C ATOM 901 O ALA A 60 5.568 8.617 -6.218 1.00 0.00 O ATOM 902 CB ALA A 60 3.637 11.016 -5.694 1.00 0.00 C ATOM 0 H ALA A 60 2.341 10.166 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 60 3.012 9.035 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.255 11.168 -6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.651 11.448 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.104 11.501 -4.837 1.00 0.00 H new ATOM 908 N GLY A 61 5.287 8.678 -3.990 1.00 0.00 N ATOM 909 CA GLY A 61 6.593 8.084 -3.716 1.00 0.00 C ATOM 910 C GLY A 61 6.574 6.597 -4.034 1.00 0.00 C ATOM 911 O GLY A 61 7.490 6.068 -4.668 1.00 0.00 O ATOM 0 H GLY A 61 4.737 8.899 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.358 8.581 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.857 8.236 -2.669 1.00 0.00 H new ATOM 915 N ILE A 62 5.513 5.937 -3.595 1.00 0.00 N ATOM 916 CA ILE A 62 5.346 4.511 -3.832 1.00 0.00 C ATOM 917 C ILE A 62 5.179 4.256 -5.325 1.00 0.00 C ATOM 918 O ILE A 62 5.997 3.573 -5.940 1.00 0.00 O ATOM 919 CB ILE A 62 4.126 3.977 -3.060 1.00 0.00 C ATOM 920 CG1 ILE A 62 3.823 4.887 -1.853 1.00 0.00 C ATOM 921 CG2 ILE A 62 4.416 2.556 -2.563 1.00 0.00 C ATOM 922 CD1 ILE A 62 5.083 5.068 -0.998 1.00 0.00 C ATOM 0 H ILE A 62 4.752 6.368 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 62 6.233 3.986 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 62 3.263 3.966 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.467 5.857 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.025 4.452 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.552 2.178 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.619 1.907 -3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.284 2.571 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.857 5.713 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.420 4.096 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.869 5.524 -1.600 1.00 0.00 H new ATOM 934 N GLU A 63 4.121 4.824 -5.905 1.00 0.00 N ATOM 935 CA GLU A 63 3.858 4.672 -7.333 1.00 0.00 C ATOM 936 C GLU A 63 5.145 4.847 -8.136 1.00 0.00 C ATOM 937 O GLU A 63 5.455 4.044 -9.016 1.00 0.00 O ATOM 938 CB GLU A 63 2.818 5.701 -7.785 1.00 0.00 C ATOM 939 CG GLU A 63 1.415 5.194 -7.436 1.00 0.00 C ATOM 940 CD GLU A 63 0.359 6.098 -8.067 1.00 0.00 C ATOM 941 OE1 GLU A 63 0.147 7.182 -7.546 1.00 0.00 O ATOM 942 OE2 GLU A 63 -0.223 5.695 -9.061 1.00 0.00 O ATOM 0 H GLU A 63 3.435 5.392 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 63 3.471 3.669 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.002 6.659 -7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.899 5.869 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.290 4.172 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.286 5.172 -6.354 1.00 0.00 H new ATOM 949 N ARG A 64 5.892 5.904 -7.820 1.00 0.00 N ATOM 950 CA ARG A 64 7.151 6.182 -8.508 1.00 0.00 C ATOM 951 C ARG A 64 8.076 4.970 -8.447 1.00 0.00 C ATOM 952 O ARG A 64 8.649 4.563 -9.458 1.00 0.00 O ATOM 953 CB ARG A 64 7.845 7.385 -7.863 1.00 0.00 C ATOM 954 CG ARG A 64 7.191 8.683 -8.346 1.00 0.00 C ATOM 955 CD ARG A 64 7.922 9.206 -9.582 1.00 0.00 C ATOM 956 NE ARG A 64 7.263 10.410 -10.080 1.00 0.00 N ATOM 957 CZ ARG A 64 7.320 10.749 -11.363 1.00 0.00 C ATOM 958 NH1 ARG A 64 7.212 9.833 -12.287 1.00 0.00 N ATOM 959 NH2 ARG A 64 7.482 11.999 -11.702 1.00 0.00 N ATOM 0 H ARG A 64 5.648 6.579 -7.095 1.00 0.00 H new ATOM 0 HA ARG A 64 6.929 6.405 -9.552 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.778 7.316 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.905 7.385 -8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.142 8.506 -8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.218 9.431 -7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.961 9.426 -9.334 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.934 8.441 -10.358 1.00 0.00 H new ATOM 0 HE ARG A 64 6.748 11.003 -9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.084 8.856 -12.024 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.256 10.094 -13.272 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.565 12.716 -10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.526 12.259 -12.687 1.00 0.00 H new ATOM 973 N ALA A 65 8.213 4.398 -7.251 1.00 0.00 N ATOM 974 CA ALA A 65 9.068 3.231 -7.057 1.00 0.00 C ATOM 975 C ALA A 65 8.602 2.074 -7.937 1.00 0.00 C ATOM 976 O ALA A 65 9.377 1.529 -8.725 1.00 0.00 O ATOM 977 CB ALA A 65 9.045 2.802 -5.586 1.00 0.00 C ATOM 0 H ALA A 65 7.744 4.724 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 65 10.086 3.499 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.686 1.931 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.408 3.619 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.025 2.550 -5.296 1.00 0.00 H new ATOM 983 N LEU A 66 7.326 1.716 -7.802 1.00 0.00 N ATOM 984 CA LEU A 66 6.744 0.629 -8.588 1.00 0.00 C ATOM 985 C LEU A 66 6.943 0.890 -10.074 1.00 0.00 C ATOM 986 O LEU A 66 7.639 0.145 -10.750 1.00 0.00 O ATOM 987 CB LEU A 66 5.246 0.519 -8.278 1.00 0.00 C ATOM 988 CG LEU A 66 5.022 -0.279 -6.985 1.00 0.00 C ATOM 989 CD1 LEU A 66 5.925 0.253 -5.865 1.00 0.00 C ATOM 990 CD2 LEU A 66 3.559 -0.138 -6.559 1.00 0.00 C ATOM 0 H LEU A 66 6.675 2.163 -7.156 1.00 0.00 H new ATOM 0 HA LEU A 66 7.240 -0.305 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.815 1.515 -8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.732 0.032 -9.107 1.00 0.00 H new ATOM 0 HG LEU A 66 5.264 -1.326 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.754 -0.323 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.969 0.159 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.694 1.302 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.391 -0.702 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.330 0.914 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.912 -0.525 -7.346 1.00 0.00 H new ATOM 1002 N HIS A 67 6.340 1.951 -10.579 1.00 0.00 N ATOM 1003 CA HIS A 67 6.470 2.279 -11.993 1.00 0.00 C ATOM 1004 C HIS A 67 7.917 2.095 -12.468 1.00 0.00 C ATOM 1005 O HIS A 67 8.166 1.428 -13.473 1.00 0.00 O ATOM 1006 CB HIS A 67 6.024 3.722 -12.235 1.00 0.00 C ATOM 1007 CG HIS A 67 4.545 3.844 -11.983 1.00 0.00 C ATOM 1008 ND1 HIS A 67 3.701 3.203 -11.105 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 3.750 4.731 -12.691 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 2.406 3.687 -11.265 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 2.492 4.603 -12.233 1.00 0.00 N flip ATOM 0 H HIS A 67 5.761 2.596 -10.041 1.00 0.00 H new ATOM 0 HA HIS A 67 5.833 1.602 -12.562 1.00 0.00 H new ATOM 0 HB2 HIS A 67 6.572 4.397 -11.578 1.00 0.00 H new ATOM 0 HB3 HIS A 67 6.254 4.017 -13.259 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.081 5.403 -13.469 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.522 3.386 -10.723 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.699 5.141 -12.583 1.00 0.00 H new ATOM 1019 N GLU A 68 8.861 2.688 -11.737 1.00 0.00 N ATOM 1020 CA GLU A 68 10.283 2.584 -12.086 1.00 0.00 C ATOM 1021 C GLU A 68 10.825 1.166 -11.850 1.00 0.00 C ATOM 1022 O GLU A 68 11.905 0.822 -12.331 1.00 0.00 O ATOM 1023 CB GLU A 68 11.091 3.591 -11.263 1.00 0.00 C ATOM 1024 CG GLU A 68 10.715 5.018 -11.686 1.00 0.00 C ATOM 1025 CD GLU A 68 11.156 6.022 -10.623 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.277 5.907 -10.154 1.00 0.00 O ATOM 1027 OE2 GLU A 68 10.368 6.895 -10.298 1.00 0.00 O ATOM 0 H GLU A 68 8.671 3.243 -10.903 1.00 0.00 H new ATOM 0 HA GLU A 68 10.384 2.806 -13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.892 3.451 -10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.158 3.425 -11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.186 5.258 -12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.638 5.088 -11.836 1.00 0.00 H new ATOM 1034 N GLU A 69 10.067 0.357 -11.112 1.00 0.00 N ATOM 1035 CA GLU A 69 10.452 -1.021 -10.804 1.00 0.00 C ATOM 1036 C GLU A 69 9.193 -1.828 -10.501 1.00 0.00 C ATOM 1037 O GLU A 69 8.655 -1.757 -9.395 1.00 0.00 O ATOM 1038 CB GLU A 69 11.386 -1.058 -9.583 1.00 0.00 C ATOM 1039 CG GLU A 69 12.748 -0.453 -9.941 1.00 0.00 C ATOM 1040 CD GLU A 69 13.811 -0.920 -8.947 1.00 0.00 C ATOM 1041 OE1 GLU A 69 13.591 -0.767 -7.756 1.00 0.00 O ATOM 1042 OE2 GLU A 69 14.830 -1.420 -9.392 1.00 0.00 O ATOM 0 H GLU A 69 9.171 0.636 -10.711 1.00 0.00 H new ATOM 0 HA GLU A 69 10.978 -1.446 -11.659 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.939 -0.504 -8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.514 -2.086 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.030 -0.747 -10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.684 0.635 -9.932 1.00 0.00 H new ATOM 1049 N VAL A 70 8.708 -2.565 -11.497 1.00 0.00 N ATOM 1050 CA VAL A 70 7.483 -3.344 -11.341 1.00 0.00 C ATOM 1051 C VAL A 70 7.636 -4.757 -11.912 1.00 0.00 C ATOM 1052 O VAL A 70 6.971 -5.118 -12.885 1.00 0.00 O ATOM 1053 CB VAL A 70 6.342 -2.651 -12.093 1.00 0.00 C ATOM 1054 CG1 VAL A 70 5.749 -1.509 -11.273 1.00 0.00 C ATOM 1055 CG2 VAL A 70 6.856 -2.116 -13.436 1.00 0.00 C ATOM 0 H VAL A 70 9.142 -2.639 -12.417 1.00 0.00 H new ATOM 0 HA VAL A 70 7.270 -3.414 -10.274 1.00 0.00 H new ATOM 0 HB VAL A 70 5.555 -3.385 -12.267 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.942 -1.038 -11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.357 -1.900 -10.334 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.523 -0.771 -11.063 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.041 -1.624 -13.967 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.659 -1.400 -13.259 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.234 -2.943 -14.037 1.00 0.00 H new ATOM 1065 N PRO A 71 8.473 -5.563 -11.323 1.00 0.00 N ATOM 1066 CA PRO A 71 8.692 -6.964 -11.767 1.00 0.00 C ATOM 1067 C PRO A 71 7.580 -7.885 -11.267 1.00 0.00 C ATOM 1068 O PRO A 71 7.792 -9.077 -11.042 1.00 0.00 O ATOM 1069 CB PRO A 71 10.060 -7.335 -11.161 1.00 0.00 C ATOM 1070 CG PRO A 71 10.536 -6.121 -10.416 1.00 0.00 C ATOM 1071 CD PRO A 71 9.314 -5.245 -10.177 1.00 0.00 C ATOM 0 HA PRO A 71 8.679 -7.070 -12.852 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.969 -8.191 -10.492 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.768 -7.614 -11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.999 -6.404 -9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.290 -5.584 -10.992 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.822 -5.482 -9.234 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.573 -4.187 -10.144 1.00 0.00 H new ATOM 1079 N GLY A 72 6.395 -7.308 -11.103 1.00 0.00 N ATOM 1080 CA GLY A 72 5.234 -8.056 -10.634 1.00 0.00 C ATOM 1081 C GLY A 72 3.979 -7.189 -10.693 1.00 0.00 C ATOM 1082 O GLY A 72 2.945 -7.609 -11.215 1.00 0.00 O ATOM 0 H GLY A 72 6.213 -6.322 -11.288 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.097 -8.947 -11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.401 -8.395 -9.612 1.00 0.00 H new ATOM 1086 N VAL A 73 4.082 -5.975 -10.154 1.00 0.00 N ATOM 1087 CA VAL A 73 2.951 -5.045 -10.150 1.00 0.00 C ATOM 1088 C VAL A 73 2.649 -4.562 -11.559 1.00 0.00 C ATOM 1089 O VAL A 73 3.551 -4.394 -12.381 1.00 0.00 O ATOM 1090 CB VAL A 73 3.234 -3.845 -9.225 1.00 0.00 C ATOM 1091 CG1 VAL A 73 4.720 -3.487 -9.271 1.00 0.00 C ATOM 1092 CG2 VAL A 73 2.409 -2.628 -9.674 1.00 0.00 C ATOM 0 H VAL A 73 4.930 -5.613 -9.717 1.00 0.00 H new ATOM 0 HA VAL A 73 2.078 -5.576 -9.770 1.00 0.00 H new ATOM 0 HB VAL A 73 2.956 -4.118 -8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.910 -2.638 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.310 -4.341 -8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.000 -3.226 -10.292 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.616 -1.785 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.678 -2.363 -10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.348 -2.872 -9.630 1.00 0.00 H new ATOM 1102 N ILE A 74 1.370 -4.341 -11.823 1.00 0.00 N ATOM 1103 CA ILE A 74 0.931 -3.872 -13.128 1.00 0.00 C ATOM 1104 C ILE A 74 0.177 -2.558 -12.977 1.00 0.00 C ATOM 1105 O ILE A 74 0.461 -1.579 -13.669 1.00 0.00 O ATOM 1106 CB ILE A 74 0.020 -4.916 -13.786 1.00 0.00 C ATOM 1107 CG1 ILE A 74 0.227 -6.293 -13.136 1.00 0.00 C ATOM 1108 CG2 ILE A 74 0.353 -5.008 -15.274 1.00 0.00 C ATOM 1109 CD1 ILE A 74 -0.621 -7.336 -13.871 1.00 0.00 C ATOM 0 H ILE A 74 0.617 -4.479 -11.149 1.00 0.00 H new ATOM 0 HA ILE A 74 1.806 -3.716 -13.759 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.019 -4.614 -13.652 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.280 -6.571 -13.175 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.054 -6.256 -12.083 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.292 -5.749 -15.746 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.194 -4.037 -15.743 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.395 -5.304 -15.396 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.475 -8.313 -13.411 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.673 -7.059 -13.808 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.319 -7.379 -14.917 1.00 0.00 H new ATOM 1121 N GLU A 75 -0.783 -2.550 -12.056 1.00 0.00 N ATOM 1122 CA GLU A 75 -1.583 -1.361 -11.798 1.00 0.00 C ATOM 1123 C GLU A 75 -2.354 -1.523 -10.491 1.00 0.00 C ATOM 1124 O GLU A 75 -3.301 -2.303 -10.414 1.00 0.00 O ATOM 1125 CB GLU A 75 -2.566 -1.131 -12.952 1.00 0.00 C ATOM 1126 CG GLU A 75 -2.776 0.370 -13.161 1.00 0.00 C ATOM 1127 CD GLU A 75 -4.010 0.606 -14.029 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -3.861 0.638 -15.240 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -5.087 0.749 -13.472 1.00 0.00 O ATOM 0 H GLU A 75 -1.024 -3.354 -11.477 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.919 -0.501 -11.716 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.181 -1.585 -13.866 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.518 -1.614 -12.733 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.897 0.867 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.897 0.806 -13.636 1.00 0.00 H new ATOM 1136 N VAL A 76 -1.945 -0.780 -9.466 1.00 0.00 N ATOM 1137 CA VAL A 76 -2.615 -0.856 -8.169 1.00 0.00 C ATOM 1138 C VAL A 76 -3.846 0.042 -8.164 1.00 0.00 C ATOM 1139 O VAL A 76 -4.098 0.766 -9.129 1.00 0.00 O ATOM 1140 CB VAL A 76 -1.659 -0.433 -7.044 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -0.787 -1.624 -6.635 1.00 0.00 C ATOM 1142 CG2 VAL A 76 -0.761 0.715 -7.520 1.00 0.00 C ATOM 0 H VAL A 76 -1.163 -0.126 -9.505 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.922 -1.888 -7.999 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.246 -0.098 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.109 -1.322 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.423 -2.437 -6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.208 -1.963 -7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.087 1.007 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.178 0.388 -8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.379 1.567 -7.803 1.00 0.00 H new ATOM 1152 N GLU A 77 -4.612 -0.014 -7.077 1.00 0.00 N ATOM 1153 CA GLU A 77 -5.822 0.798 -6.972 1.00 0.00 C ATOM 1154 C GLU A 77 -6.053 1.239 -5.533 1.00 0.00 C ATOM 1155 O GLU A 77 -6.767 0.581 -4.776 1.00 0.00 O ATOM 1156 CB GLU A 77 -7.036 -0.002 -7.460 1.00 0.00 C ATOM 1157 CG GLU A 77 -7.262 0.253 -8.956 1.00 0.00 C ATOM 1158 CD GLU A 77 -7.689 1.702 -9.192 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -8.385 2.245 -8.346 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -7.315 2.246 -10.217 1.00 0.00 O ATOM 0 H GLU A 77 -4.421 -0.604 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.693 1.683 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.876 -1.066 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.923 0.285 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.347 0.042 -9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.027 -0.424 -9.335 1.00 0.00 H new ATOM 1167 N GLN A 78 -5.452 2.369 -5.168 1.00 0.00 N ATOM 1168 CA GLN A 78 -5.604 2.905 -3.823 1.00 0.00 C ATOM 1169 C GLN A 78 -6.675 3.988 -3.816 1.00 0.00 C ATOM 1170 O GLN A 78 -6.402 5.151 -4.117 1.00 0.00 O ATOM 1171 CB GLN A 78 -4.277 3.487 -3.329 1.00 0.00 C ATOM 1172 CG GLN A 78 -4.310 3.613 -1.801 1.00 0.00 C ATOM 1173 CD GLN A 78 -3.609 4.893 -1.356 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -2.470 4.850 -0.894 1.00 0.00 O ATOM 1175 NE2 GLN A 78 -4.230 6.040 -1.460 1.00 0.00 N ATOM 0 H GLN A 78 -4.859 2.927 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.904 2.097 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.450 2.845 -3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.105 4.464 -3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.343 3.617 -1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.824 2.749 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.175 6.076 -1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.769 6.899 -1.158 1.00 0.00 H new ATOM 1184 N VAL A 79 -7.898 3.593 -3.480 1.00 0.00 N ATOM 1185 CA VAL A 79 -9.005 4.539 -3.446 1.00 0.00 C ATOM 1186 C VAL A 79 -9.090 5.231 -2.089 1.00 0.00 C ATOM 1187 O VAL A 79 -8.435 4.828 -1.124 1.00 0.00 O ATOM 1188 CB VAL A 79 -10.325 3.815 -3.737 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -10.346 3.360 -5.199 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -10.461 2.596 -2.819 1.00 0.00 C ATOM 0 H VAL A 79 -8.146 2.636 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.828 5.295 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.157 4.496 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.284 2.845 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.257 4.228 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.512 2.682 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.400 2.085 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.629 1.914 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.450 2.921 -1.779 1.00 0.00 H new ATOM 1200 N PHE A 80 -9.906 6.276 -2.034 1.00 0.00 N ATOM 1201 CA PHE A 80 -10.098 7.035 -0.806 1.00 0.00 C ATOM 1202 C PHE A 80 -11.521 6.829 -0.303 1.00 0.00 C ATOM 1203 O PHE A 80 -12.482 7.120 -1.015 1.00 0.00 O ATOM 1204 CB PHE A 80 -9.852 8.527 -1.063 1.00 0.00 C ATOM 1205 CG PHE A 80 -8.773 8.696 -2.111 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -7.447 8.349 -1.818 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -9.101 9.197 -3.377 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -6.451 8.505 -2.792 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -8.106 9.352 -4.349 1.00 0.00 C ATOM 1210 CZ PHE A 80 -6.782 9.006 -4.057 1.00 0.00 C ATOM 0 H PHE A 80 -10.447 6.618 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.389 6.686 -0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -10.773 9.005 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.554 9.020 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.193 7.962 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.123 9.464 -3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.429 8.239 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.360 9.739 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.015 9.125 -4.808 1.00 0.00 H new ATOM 1220 N LEU A 81 -11.651 6.314 0.917 1.00 0.00 N ATOM 1221 CA LEU A 81 -12.970 6.065 1.488 1.00 0.00 C ATOM 1222 C LEU A 81 -13.717 7.379 1.702 1.00 0.00 C ATOM 1223 O LEU A 81 -13.723 7.935 2.802 1.00 0.00 O ATOM 1224 CB LEU A 81 -12.845 5.315 2.816 1.00 0.00 C ATOM 1225 CG LEU A 81 -14.210 4.733 3.204 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -14.327 3.298 2.686 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -14.354 4.738 4.728 1.00 0.00 C ATOM 0 H LEU A 81 -10.869 6.064 1.522 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.534 5.450 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.109 4.516 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.490 5.990 3.595 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.999 5.341 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.298 2.889 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.229 3.294 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.537 2.688 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -15.324 4.324 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.563 4.133 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.278 5.761 5.097 1.00 0.00 H new ATOM 1239 N GLU A 82 -14.340 7.866 0.634 1.00 0.00 N ATOM 1240 CA GLU A 82 -15.092 9.114 0.687 1.00 0.00 C ATOM 1241 C GLU A 82 -16.230 9.023 1.701 1.00 0.00 C ATOM 1242 O GLU A 82 -16.424 7.990 2.345 1.00 0.00 O ATOM 1243 CB GLU A 82 -15.660 9.436 -0.698 1.00 0.00 C ATOM 1244 CG GLU A 82 -16.584 8.300 -1.159 1.00 0.00 C ATOM 1245 CD GLU A 82 -17.106 8.570 -2.571 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -16.867 9.656 -3.080 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -17.739 7.687 -3.124 1.00 0.00 O ATOM 0 H GLU A 82 -14.339 7.414 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.415 9.909 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.212 10.375 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.847 9.569 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.043 7.354 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -17.422 8.202 -0.468 1.00 0.00 H new ATOM 1254 N HIS A 83 -16.978 10.115 1.835 1.00 0.00 N ATOM 1255 CA HIS A 83 -18.097 10.161 2.772 1.00 0.00 C ATOM 1256 C HIS A 83 -18.833 11.497 2.671 1.00 0.00 C ATOM 1257 O HIS A 83 -19.806 11.732 3.389 1.00 0.00 O ATOM 1258 CB HIS A 83 -17.597 9.956 4.208 1.00 0.00 C ATOM 1259 CG HIS A 83 -16.332 10.743 4.441 1.00 0.00 C ATOM 1260 ND1 HIS A 83 -15.752 11.784 3.755 1.00 0.00 N flip ATOM 1261 CD2 HIS A 83 -15.494 10.487 5.515 1.00 0.00 C flip ATOM 1262 CE1 HIS A 83 -14.574 12.166 4.391 1.00 0.00 C flip ATOM 1263 NE2 HIS A 83 -14.466 11.353 5.444 1.00 0.00 N flip ATOM 0 H HIS A 83 -16.831 10.976 1.309 1.00 0.00 H new ATOM 0 HA HIS A 83 -18.788 9.359 2.514 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -18.364 10.271 4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.412 8.897 4.388 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -15.639 9.730 6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.894 12.951 4.096 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.697 11.384 6.114 1.00 0.00 H new ATOM 1271 N HIS A 84 -18.362 12.368 1.780 1.00 0.00 N ATOM 1272 CA HIS A 84 -18.985 13.678 1.596 1.00 0.00 C ATOM 1273 C HIS A 84 -20.327 13.542 0.875 1.00 0.00 C ATOM 1274 O HIS A 84 -20.812 12.430 0.657 1.00 0.00 O ATOM 1275 CB HIS A 84 -18.051 14.591 0.794 1.00 0.00 C ATOM 1276 CG HIS A 84 -17.815 14.007 -0.572 1.00 0.00 C ATOM 1277 ND1 HIS A 84 -16.664 13.301 -0.884 1.00 0.00 N ATOM 1278 CD2 HIS A 84 -18.569 14.020 -1.720 1.00 0.00 C ATOM 1279 CE1 HIS A 84 -16.757 12.922 -2.172 1.00 0.00 C ATOM 1280 NE2 HIS A 84 -17.899 13.335 -2.728 1.00 0.00 N ATOM 0 H HIS A 84 -17.557 12.193 1.178 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.163 14.118 2.577 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -18.489 15.585 0.704 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.103 14.707 1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -19.535 14.491 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -16.001 12.353 -2.692 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -18.213 13.181 -3.686 1.00 0.00 H new ATOM 1288 N HIS A 85 -20.924 14.677 0.514 1.00 0.00 N ATOM 1289 CA HIS A 85 -22.214 14.669 -0.174 1.00 0.00 C ATOM 1290 C HIS A 85 -22.077 15.185 -1.604 1.00 0.00 C ATOM 1291 O HIS A 85 -21.872 14.402 -2.533 1.00 0.00 O ATOM 1292 CB HIS A 85 -23.217 15.533 0.599 1.00 0.00 C ATOM 1293 CG HIS A 85 -23.787 14.741 1.746 1.00 0.00 C ATOM 1294 ND1 HIS A 85 -23.289 13.498 2.112 1.00 0.00 N ATOM 1295 CD2 HIS A 85 -24.815 15.002 2.616 1.00 0.00 C ATOM 1296 CE1 HIS A 85 -24.013 13.063 3.158 1.00 0.00 C ATOM 1297 NE2 HIS A 85 -24.957 13.941 3.507 1.00 0.00 N ATOM 0 H HIS A 85 -20.539 15.606 0.685 1.00 0.00 H new ATOM 0 HA HIS A 85 -22.574 13.641 -0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -22.726 16.432 0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -24.018 15.860 -0.064 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -25.422 15.895 2.611 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -23.851 12.118 3.656 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -25.636 13.853 4.263 1.00 0.00 H new ATOM 1305 N HIS A 86 -22.197 16.500 -1.775 1.00 0.00 N ATOM 1306 CA HIS A 86 -22.093 17.110 -3.099 1.00 0.00 C ATOM 1307 C HIS A 86 -20.817 17.944 -3.207 1.00 0.00 C ATOM 1308 O HIS A 86 -20.868 19.162 -3.391 1.00 0.00 O ATOM 1309 CB HIS A 86 -23.320 17.992 -3.362 1.00 0.00 C ATOM 1310 CG HIS A 86 -24.575 17.197 -3.116 1.00 0.00 C ATOM 1311 ND1 HIS A 86 -25.027 16.231 -4.002 1.00 0.00 N ATOM 1312 CD2 HIS A 86 -25.486 17.218 -2.088 1.00 0.00 C ATOM 1313 CE1 HIS A 86 -26.163 15.717 -3.497 1.00 0.00 C ATOM 1314 NE2 HIS A 86 -26.487 16.283 -2.331 1.00 0.00 N ATOM 0 H HIS A 86 -22.366 17.161 -1.017 1.00 0.00 H new ATOM 0 HA HIS A 86 -22.052 16.318 -3.847 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -23.298 18.867 -2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -23.304 18.358 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -25.433 17.862 -1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -26.742 14.941 -3.976 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -27.295 16.074 -1.745 1.00 0.00 H new ATOM 1322 N HIS A 87 -19.672 17.275 -3.093 1.00 0.00 N ATOM 1323 CA HIS A 87 -18.381 17.952 -3.180 1.00 0.00 C ATOM 1324 C HIS A 87 -18.057 18.304 -4.631 1.00 0.00 C ATOM 1325 O HIS A 87 -18.722 17.835 -5.556 1.00 0.00 O ATOM 1326 CB HIS A 87 -17.284 17.046 -2.608 1.00 0.00 C ATOM 1327 CG HIS A 87 -16.028 17.844 -2.380 1.00 0.00 C ATOM 1328 ND1 HIS A 87 -14.922 18.061 -3.166 1.00 0.00 N flip ATOM 1329 CD2 HIS A 87 -15.801 18.546 -1.207 1.00 0.00 C flip ATOM 1330 CE1 HIS A 87 -14.024 18.883 -2.494 1.00 0.00 C flip ATOM 1331 NE2 HIS A 87 -14.601 19.146 -1.320 1.00 0.00 N flip ATOM 0 H HIS A 87 -19.612 16.268 -2.941 1.00 0.00 H new ATOM 0 HA HIS A 87 -18.430 18.874 -2.601 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -17.619 16.602 -1.670 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.084 16.224 -3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.465 18.602 -0.357 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -13.065 19.233 -2.847 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.184 19.731 -0.596 1.00 0.00 H new ATOM 1339 N HIS A 88 -17.033 19.133 -4.821 1.00 0.00 N ATOM 1340 CA HIS A 88 -16.625 19.543 -6.163 1.00 0.00 C ATOM 1341 C HIS A 88 -15.707 18.493 -6.794 1.00 0.00 C ATOM 1342 O HIS A 88 -15.892 17.323 -6.503 1.00 0.00 O ATOM 1343 CB HIS A 88 -15.907 20.896 -6.089 1.00 0.00 C ATOM 1344 CG HIS A 88 -16.841 21.919 -5.508 1.00 0.00 C ATOM 1345 ND1 HIS A 88 -16.483 22.724 -4.438 1.00 0.00 N ATOM 1346 CD2 HIS A 88 -18.127 22.276 -5.831 1.00 0.00 C ATOM 1347 CE1 HIS A 88 -17.533 23.517 -4.158 1.00 0.00 C ATOM 1348 NE2 HIS A 88 -18.561 23.285 -4.977 1.00 0.00 N ATOM 1349 OXT HIS A 88 -14.836 18.872 -7.562 1.00 0.00 O ATOM 0 H HIS A 88 -16.473 19.532 -4.068 1.00 0.00 H new ATOM 0 HA HIS A 88 -17.513 19.638 -6.787 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -15.011 20.813 -5.474 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -15.583 21.204 -7.083 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -18.712 21.840 -6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -17.543 24.252 -3.367 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -19.470 23.748 -4.977 1.00 0.00 H new TER 1357 HIS A 88