USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 569 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 67 CYS SG : rot 140:sc= -1.03 USER MOD Set 1.2: A 72 MET CE :methyl 163:sc= -0.0207 (180deg=-0.308) USER MOD Set 2.1: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 46 THR OG1 : rot -57:sc= 0.324 USER MOD Set 3.1: A 34 SER OG : rot -64:sc= 0.804 USER MOD Set 3.2: A 41 TYR OH : rot 15:sc= -1.14 USER MOD Set 4.1: A 19 TYR OH : rot 15:sc= -0.456 USER MOD Set 4.2: A 28 LYS NZ :NH3+ -137:sc= 0.161 (180deg=-0.0424) USER MOD Set 5.1: A 18 HIS :FLIP no HD1:sc= -2.89 F(o=-5.7!,f=-3.3) USER MOD Set 5.2: A 23 SER OG : rot 180:sc= -0.391 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0372 (180deg=-0.504) USER MOD Single : A 1 MET N :NH3+ -136:sc= -0.128 (180deg=-0.759) USER MOD Single : A 2 LYS NZ :NH3+ 164:sc=-0.00933 (180deg=-0.183) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 127:sc= 0.764 USER MOD Single : A 11 ASN : amide:sc= -1.28! C(o=-1.3!,f=-4.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 160:sc= 0.0383 USER MOD Single : A 17 TYR OH : rot -32:sc= -1.52! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.189 (180deg=-0.189) USER MOD Single : A 36 GLN :FLIP amide:sc= -2.44! C(o=-11!,f=-2.4!) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.933! C(o=-3.6!,f=-0.93!) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.979 F(o=-5.7!,f=-0.98) USER MOD Single : A 47 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.6!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 50 THR OG1 : rot 11:sc= 0.606 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.47 K(o=-2.5,f=-3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 110:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 0.868 (180deg=0.614) USER MOD Single : A 68 TYR OH : rot -58:sc= -1.56! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -161:sc=-0.00172 (180deg=-0.179) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.771 -10.473 -19.032 1.00 0.00 N ATOM 2 CA MET A 1 -5.498 -11.385 -19.946 1.00 0.00 C ATOM 3 C MET A 1 -6.972 -11.436 -19.570 1.00 0.00 C ATOM 4 O MET A 1 -7.337 -11.170 -18.441 1.00 0.00 O ATOM 5 CB MET A 1 -4.919 -12.805 -19.839 1.00 0.00 C ATOM 6 CG MET A 1 -3.464 -12.790 -20.313 1.00 0.00 C ATOM 7 SD MET A 1 -2.538 -14.341 -20.205 1.00 0.00 S ATOM 8 CE MET A 1 -2.579 -14.506 -18.404 1.00 0.00 C ATOM 0 H1 MET A 1 -4.125 -9.872 -19.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.453 -9.874 -18.524 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.224 -11.032 -18.347 1.00 0.00 H new ATOM 0 HA MET A 1 -5.388 -11.012 -20.964 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.975 -13.157 -18.809 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.505 -13.496 -20.445 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.452 -12.462 -21.352 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.929 -12.037 -19.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.821 -15.222 -18.087 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.378 -13.538 -17.945 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.563 -14.858 -18.093 1.00 0.00 H new ATOM 20 N LYS A 2 -7.796 -11.779 -20.521 1.00 0.00 N ATOM 21 CA LYS A 2 -9.250 -11.853 -20.235 1.00 0.00 C ATOM 22 C LYS A 2 -9.558 -13.022 -19.308 1.00 0.00 C ATOM 23 O LYS A 2 -10.571 -13.035 -18.635 1.00 0.00 O ATOM 24 CB LYS A 2 -9.994 -12.061 -21.564 1.00 0.00 C ATOM 25 CG LYS A 2 -9.433 -11.095 -22.610 1.00 0.00 C ATOM 26 CD LYS A 2 -10.276 -11.190 -23.884 1.00 0.00 C ATOM 27 CE LYS A 2 -9.577 -10.423 -25.011 1.00 0.00 C ATOM 28 NZ LYS A 2 -8.404 -11.193 -25.514 1.00 0.00 N ATOM 0 H LYS A 2 -7.525 -12.009 -21.477 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.568 -10.930 -19.749 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.878 -13.091 -21.903 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.062 -11.889 -21.428 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.447 -10.075 -22.225 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.393 -11.339 -22.828 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.411 -12.234 -24.168 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.269 -10.777 -23.709 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.278 -10.242 -25.826 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.252 -9.448 -24.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.106 -10.810 -26.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.620 -11.113 -24.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.667 -12.193 -25.624 1.00 0.00 H new ATOM 42 N GLU A 3 -8.678 -13.990 -19.289 1.00 0.00 N ATOM 43 CA GLU A 3 -8.902 -15.170 -18.411 1.00 0.00 C ATOM 44 C GLU A 3 -8.475 -14.873 -16.978 1.00 0.00 C ATOM 45 O GLU A 3 -7.307 -14.685 -16.708 1.00 0.00 O ATOM 46 CB GLU A 3 -8.056 -16.335 -18.947 1.00 0.00 C ATOM 47 CG GLU A 3 -8.323 -16.501 -20.444 1.00 0.00 C ATOM 48 CD GLU A 3 -7.593 -17.744 -20.955 1.00 0.00 C ATOM 49 OE1 GLU A 3 -6.608 -18.092 -20.322 1.00 0.00 O ATOM 50 OE2 GLU A 3 -8.060 -18.278 -21.947 1.00 0.00 O ATOM 0 H GLU A 3 -7.820 -14.012 -19.841 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.963 -15.418 -18.412 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.997 -16.142 -18.773 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.304 -17.255 -18.417 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.394 -16.594 -20.626 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.983 -15.618 -20.985 1.00 0.00 H new ATOM 57 N THR A 4 -9.440 -14.838 -16.089 1.00 0.00 N ATOM 58 CA THR A 4 -9.133 -14.555 -14.654 1.00 0.00 C ATOM 59 C THR A 4 -8.414 -13.224 -14.484 1.00 0.00 C ATOM 60 O THR A 4 -7.439 -12.951 -15.147 1.00 0.00 O ATOM 61 CB THR A 4 -8.222 -15.673 -14.105 1.00 0.00 C ATOM 62 OG1 THR A 4 -8.944 -16.872 -14.292 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.061 -15.550 -12.576 1.00 0.00 C ATOM 0 H THR A 4 -10.426 -14.993 -16.297 1.00 0.00 H new ATOM 0 HA THR A 4 -10.077 -14.511 -14.111 1.00 0.00 H new ATOM 0 HB THR A 4 -7.250 -15.629 -14.596 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.414 -17.628 -13.962 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.415 -16.349 -12.213 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.616 -14.585 -12.333 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.038 -15.629 -12.100 1.00 0.00 H new ATOM 71 N ARG A 5 -8.926 -12.407 -13.598 1.00 0.00 N ATOM 72 CA ARG A 5 -8.286 -11.080 -13.357 1.00 0.00 C ATOM 73 C ARG A 5 -7.409 -11.190 -12.145 1.00 0.00 C ATOM 74 O ARG A 5 -7.380 -12.215 -11.495 1.00 0.00 O ATOM 75 CB ARG A 5 -9.371 -10.017 -13.104 1.00 0.00 C ATOM 76 CG ARG A 5 -10.457 -10.097 -14.218 1.00 0.00 C ATOM 77 CD ARG A 5 -11.574 -11.100 -13.824 1.00 0.00 C ATOM 78 NE ARG A 5 -11.977 -11.867 -15.039 1.00 0.00 N ATOM 79 CZ ARG A 5 -12.741 -11.299 -15.931 1.00 0.00 C ATOM 80 NH1 ARG A 5 -13.970 -10.999 -15.611 1.00 0.00 N ATOM 81 NH2 ARG A 5 -12.250 -11.050 -17.114 1.00 0.00 N ATOM 0 H ARG A 5 -9.754 -12.601 -13.035 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.697 -10.788 -14.227 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.827 -10.175 -12.127 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.923 -9.023 -13.090 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.889 -9.110 -14.383 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.999 -10.406 -15.158 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.217 -11.779 -13.050 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.431 -10.568 -13.411 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.658 -12.827 -15.171 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.319 -11.209 -14.676 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.581 -10.555 -16.296 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.284 -11.299 -17.328 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.832 -10.606 -17.825 1.00 0.00 H new ATOM 95 N TYR A 6 -6.713 -10.142 -11.834 1.00 0.00 N ATOM 96 CA TYR A 6 -5.815 -10.195 -10.638 1.00 0.00 C ATOM 97 C TYR A 6 -5.588 -8.798 -10.042 1.00 0.00 C ATOM 98 O TYR A 6 -6.003 -7.808 -10.610 1.00 0.00 O ATOM 99 CB TYR A 6 -4.454 -10.789 -11.105 1.00 0.00 C ATOM 100 CG TYR A 6 -4.687 -11.810 -12.229 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.976 -13.124 -11.929 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.615 -11.429 -13.556 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.184 -14.041 -12.932 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.820 -12.352 -14.560 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.106 -13.664 -14.255 1.00 0.00 C ATOM 106 OH TYR A 6 -5.303 -14.589 -15.259 1.00 0.00 O ATOM 0 H TYR A 6 -6.720 -9.258 -12.343 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.275 -10.809 -9.863 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.800 -9.991 -11.457 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.949 -11.268 -10.266 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.040 -13.436 -10.897 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.397 -10.402 -13.808 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.411 -15.067 -12.681 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.756 -12.044 -15.593 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.991 -14.261 -15.876 1.00 0.00 H new ATOM 116 N CYS A 7 -4.926 -8.743 -8.897 1.00 0.00 N ATOM 117 CA CYS A 7 -4.681 -7.433 -8.278 1.00 0.00 C ATOM 118 C CYS A 7 -4.030 -6.495 -9.267 1.00 0.00 C ATOM 119 O CYS A 7 -2.938 -6.734 -9.742 1.00 0.00 O ATOM 120 CB CYS A 7 -3.765 -7.590 -7.038 1.00 0.00 C ATOM 121 SG CYS A 7 -3.306 -6.052 -6.177 1.00 0.00 S ATOM 0 H CYS A 7 -4.559 -9.548 -8.389 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.640 -7.016 -7.969 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.264 -8.246 -6.325 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.850 -8.094 -7.349 1.00 0.00 H new ATOM 126 N ALA A 8 -4.720 -5.444 -9.555 1.00 0.00 N ATOM 127 CA ALA A 8 -4.197 -4.452 -10.509 1.00 0.00 C ATOM 128 C ALA A 8 -3.054 -3.660 -9.909 1.00 0.00 C ATOM 129 O ALA A 8 -2.561 -2.732 -10.522 1.00 0.00 O ATOM 130 CB ALA A 8 -5.326 -3.465 -10.784 1.00 0.00 C ATOM 0 H ALA A 8 -5.637 -5.227 -9.165 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.844 -4.966 -11.403 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.983 -2.708 -11.489 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.178 -3.996 -11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.624 -2.985 -9.852 1.00 0.00 H new ATOM 136 N VAL A 9 -2.645 -4.035 -8.717 1.00 0.00 N ATOM 137 CA VAL A 9 -1.511 -3.282 -8.053 1.00 0.00 C ATOM 138 C VAL A 9 -0.332 -4.107 -7.525 1.00 0.00 C ATOM 139 O VAL A 9 0.787 -3.903 -7.956 1.00 0.00 O ATOM 140 CB VAL A 9 -2.116 -2.581 -6.832 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.138 -1.525 -6.289 1.00 0.00 C ATOM 142 CG2 VAL A 9 -3.403 -1.896 -7.244 1.00 0.00 C ATOM 0 H VAL A 9 -3.032 -4.811 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.096 -2.642 -8.832 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.312 -3.320 -6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.578 -1.033 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.206 -2.008 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.936 -0.784 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.841 -1.394 -6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.192 -1.162 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.104 -2.638 -7.626 1.00 0.00 H new ATOM 152 N CYS A 10 -0.587 -5.021 -6.606 1.00 0.00 N ATOM 153 CA CYS A 10 0.567 -5.838 -6.046 1.00 0.00 C ATOM 154 C CYS A 10 0.424 -7.373 -5.926 1.00 0.00 C ATOM 155 O CYS A 10 1.323 -8.087 -6.326 1.00 0.00 O ATOM 156 CB CYS A 10 0.710 -5.336 -4.613 1.00 0.00 C ATOM 157 SG CYS A 10 -0.490 -5.994 -3.405 1.00 0.00 S ATOM 0 H CYS A 10 -1.509 -5.237 -6.226 1.00 0.00 H new ATOM 0 HA CYS A 10 1.388 -5.701 -6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.714 -5.577 -4.264 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.627 -4.249 -4.621 1.00 0.00 H new ATOM 162 N ASN A 11 -0.667 -7.875 -5.394 1.00 0.00 N ATOM 163 CA ASN A 11 -0.773 -9.337 -5.271 1.00 0.00 C ATOM 164 C ASN A 11 -1.119 -10.013 -6.567 1.00 0.00 C ATOM 165 O ASN A 11 -0.313 -10.091 -7.473 1.00 0.00 O ATOM 166 CB ASN A 11 -1.859 -9.635 -4.212 1.00 0.00 C ATOM 167 CG ASN A 11 -2.037 -11.150 -4.077 1.00 0.00 C ATOM 168 OD1 ASN A 11 -2.999 -11.719 -4.555 1.00 0.00 O ATOM 169 ND2 ASN A 11 -1.135 -11.840 -3.435 1.00 0.00 N ATOM 0 H ASN A 11 -1.464 -7.338 -5.051 1.00 0.00 H new ATOM 0 HA ASN A 11 0.199 -9.733 -4.976 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.574 -9.204 -3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.802 -9.172 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.240 -12.850 -3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.325 -11.370 -3.031 1.00 0.00 H new ATOM 176 N ASP A 12 -2.310 -10.458 -6.635 1.00 0.00 N ATOM 177 CA ASP A 12 -2.770 -11.144 -7.844 1.00 0.00 C ATOM 178 C ASP A 12 -4.248 -11.480 -7.708 1.00 0.00 C ATOM 179 O ASP A 12 -5.039 -10.623 -7.379 1.00 0.00 O ATOM 180 CB ASP A 12 -1.972 -12.460 -8.007 1.00 0.00 C ATOM 181 CG ASP A 12 -2.177 -13.000 -9.424 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.730 -12.318 -10.332 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.768 -14.062 -9.518 1.00 0.00 O ATOM 0 H ASP A 12 -3.004 -10.377 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.619 -10.500 -8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.913 -12.282 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.305 -13.194 -7.273 1.00 0.00 H new ATOM 188 N TYR A 13 -4.604 -12.742 -7.929 1.00 0.00 N ATOM 189 CA TYR A 13 -6.045 -13.123 -7.809 1.00 0.00 C ATOM 190 C TYR A 13 -6.718 -12.365 -6.673 1.00 0.00 C ATOM 191 O TYR A 13 -6.604 -12.712 -5.514 1.00 0.00 O ATOM 192 CB TYR A 13 -6.175 -14.611 -7.529 1.00 0.00 C ATOM 193 CG TYR A 13 -5.259 -15.425 -8.460 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.691 -15.831 -9.717 1.00 0.00 C ATOM 195 CD2 TYR A 13 -4.010 -15.825 -8.026 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.891 -16.627 -10.508 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.211 -16.617 -8.824 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.644 -17.024 -10.069 1.00 0.00 C ATOM 199 OH TYR A 13 -2.841 -17.816 -10.865 1.00 0.00 O ATOM 0 H TYR A 13 -3.967 -13.498 -8.180 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.529 -12.872 -8.753 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.917 -14.814 -6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.210 -14.922 -7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.661 -15.520 -10.077 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.656 -15.515 -7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.243 -16.943 -11.479 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.237 -16.921 -8.471 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.998 -17.999 -10.400 1.00 0.00 H new ATOM 209 N ALA A 14 -7.395 -11.352 -7.051 1.00 0.00 N ATOM 210 CA ALA A 14 -8.106 -10.506 -6.068 1.00 0.00 C ATOM 211 C ALA A 14 -9.196 -11.288 -5.351 1.00 0.00 C ATOM 212 O ALA A 14 -9.879 -12.101 -5.945 1.00 0.00 O ATOM 213 CB ALA A 14 -8.732 -9.347 -6.846 1.00 0.00 C ATOM 0 H ALA A 14 -7.496 -11.057 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.409 -10.151 -5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.269 -8.695 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.948 -8.779 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.426 -9.740 -7.589 1.00 0.00 H new ATOM 219 N SER A 15 -9.337 -11.026 -4.081 1.00 0.00 N ATOM 220 CA SER A 15 -10.371 -11.737 -3.298 1.00 0.00 C ATOM 221 C SER A 15 -11.768 -11.381 -3.786 1.00 0.00 C ATOM 222 O SER A 15 -12.726 -12.061 -3.474 1.00 0.00 O ATOM 223 CB SER A 15 -10.238 -11.313 -1.827 1.00 0.00 C ATOM 224 OG SER A 15 -10.108 -9.900 -1.884 1.00 0.00 O ATOM 0 H SER A 15 -8.780 -10.351 -3.558 1.00 0.00 H new ATOM 0 HA SER A 15 -10.228 -12.811 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.111 -11.610 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.370 -11.774 -1.356 1.00 0.00 H new ATOM 0 HG SER A 15 -10.336 -9.515 -1.012 1.00 0.00 H new ATOM 230 N GLY A 16 -11.868 -10.320 -4.544 1.00 0.00 N ATOM 231 CA GLY A 16 -13.212 -9.918 -5.054 1.00 0.00 C ATOM 232 C GLY A 16 -13.224 -8.451 -5.489 1.00 0.00 C ATOM 233 O GLY A 16 -12.456 -7.647 -5.002 1.00 0.00 O ATOM 0 H GLY A 16 -11.091 -9.723 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.488 -10.552 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.960 -10.076 -4.277 1.00 0.00 H new ATOM 237 N TYR A 17 -14.105 -8.137 -6.405 1.00 0.00 N ATOM 238 CA TYR A 17 -14.194 -6.738 -6.890 1.00 0.00 C ATOM 239 C TYR A 17 -14.318 -5.772 -5.710 1.00 0.00 C ATOM 240 O TYR A 17 -14.545 -6.186 -4.592 1.00 0.00 O ATOM 241 CB TYR A 17 -15.460 -6.627 -7.802 1.00 0.00 C ATOM 242 CG TYR A 17 -15.170 -5.725 -9.019 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.129 -6.012 -9.883 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.954 -4.614 -9.267 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.879 -5.200 -10.973 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.704 -3.807 -10.356 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.664 -4.092 -11.217 1.00 0.00 C ATOM 248 OH TYR A 17 -14.414 -3.282 -12.306 1.00 0.00 O ATOM 0 H TYR A 17 -14.761 -8.790 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.295 -6.477 -7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.760 -7.619 -8.140 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.293 -6.219 -7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.507 -6.877 -9.705 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.770 -4.376 -8.601 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.062 -5.435 -11.639 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.328 -2.944 -10.537 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.452 -3.276 -12.495 1.00 0.00 H new ATOM 258 N HIS A 18 -14.171 -4.499 -5.984 1.00 0.00 N ATOM 259 CA HIS A 18 -14.277 -3.496 -4.886 1.00 0.00 C ATOM 260 C HIS A 18 -14.774 -2.155 -5.413 1.00 0.00 C ATOM 261 O HIS A 18 -15.905 -1.781 -5.171 1.00 0.00 O ATOM 262 CB HIS A 18 -12.882 -3.310 -4.269 1.00 0.00 C ATOM 263 CG HIS A 18 -12.519 -4.571 -3.478 1.00 0.00 C ATOM 264 ND1 HIS A 18 -13.250 -5.247 -2.518 1.00 0.00 N flip ATOM 265 CD2 HIS A 18 -11.461 -5.222 -3.611 1.00 0.00 C flip ATOM 266 CE1 HIS A 18 -12.547 -6.337 -2.108 1.00 0.00 C flip ATOM 267 NE2 HIS A 18 -11.443 -6.238 -2.849 1.00 0.00 N flip ATOM 0 H HIS A 18 -13.984 -4.116 -6.911 1.00 0.00 H new ATOM 0 HA HIS A 18 -14.990 -3.854 -4.143 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.144 -3.130 -5.051 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.872 -2.438 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.663 -4.955 -4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -12.813 -7.085 -1.376 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.671 -6.903 -2.808 1.00 0.00 H new ATOM 275 N TYR A 19 -13.924 -1.446 -6.132 1.00 0.00 N ATOM 276 CA TYR A 19 -14.351 -0.113 -6.681 1.00 0.00 C ATOM 277 C TYR A 19 -14.681 -0.240 -8.159 1.00 0.00 C ATOM 278 O TYR A 19 -15.809 -0.054 -8.570 1.00 0.00 O ATOM 279 CB TYR A 19 -13.170 0.889 -6.527 1.00 0.00 C ATOM 280 CG TYR A 19 -13.022 1.320 -5.051 1.00 0.00 C ATOM 281 CD1 TYR A 19 -14.121 1.741 -4.300 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.790 1.212 -4.417 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.985 2.022 -2.961 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.674 1.497 -3.074 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.766 1.903 -2.339 1.00 0.00 C ATOM 286 OH TYR A 19 -12.641 2.180 -0.998 1.00 0.00 O ATOM 0 H TYR A 19 -12.970 -1.728 -6.358 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.231 0.235 -6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.245 0.427 -6.873 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.343 1.764 -7.153 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.085 1.847 -4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.921 0.904 -4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.846 2.340 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.713 1.401 -2.591 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.530 2.213 -0.587 1.00 0.00 H new ATOM 296 N GLY A 20 -13.685 -0.556 -8.931 1.00 0.00 N ATOM 297 CA GLY A 20 -13.898 -0.706 -10.398 1.00 0.00 C ATOM 298 C GLY A 20 -12.837 -1.638 -10.965 1.00 0.00 C ATOM 299 O GLY A 20 -12.531 -1.602 -12.139 1.00 0.00 O ATOM 0 H GLY A 20 -12.730 -0.718 -8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.893 -1.106 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.843 0.267 -10.887 1.00 0.00 H new ATOM 303 N VAL A 21 -12.299 -2.463 -10.104 1.00 0.00 N ATOM 304 CA VAL A 21 -11.251 -3.416 -10.546 1.00 0.00 C ATOM 305 C VAL A 21 -11.176 -4.609 -9.621 1.00 0.00 C ATOM 306 O VAL A 21 -11.834 -4.668 -8.601 1.00 0.00 O ATOM 307 CB VAL A 21 -9.854 -2.709 -10.473 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.656 -1.742 -11.667 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.748 -1.927 -9.137 1.00 0.00 C ATOM 0 H VAL A 21 -12.544 -2.514 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.499 -3.738 -11.558 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.074 -3.469 -10.522 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.679 -1.265 -11.591 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.716 -2.300 -12.601 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.434 -0.979 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.778 -1.433 -9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.539 -1.179 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.852 -2.619 -8.301 1.00 0.00 H new ATOM 319 N TRP A 22 -10.363 -5.543 -10.013 1.00 0.00 N ATOM 320 CA TRP A 22 -10.179 -6.766 -9.204 1.00 0.00 C ATOM 321 C TRP A 22 -8.959 -6.542 -8.343 1.00 0.00 C ATOM 322 O TRP A 22 -7.867 -6.926 -8.705 1.00 0.00 O ATOM 323 CB TRP A 22 -9.919 -7.944 -10.159 1.00 0.00 C ATOM 324 CG TRP A 22 -11.182 -8.224 -10.967 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.395 -7.749 -12.178 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.195 -8.953 -10.554 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.610 -8.227 -12.500 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.189 -9.006 -11.516 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.365 -9.626 -9.358 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.343 -9.726 -11.283 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.521 -10.347 -9.128 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.508 -10.395 -10.091 1.00 0.00 C ATOM 0 H TRP A 22 -9.812 -5.508 -10.871 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.054 -6.982 -8.590 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.090 -7.710 -10.827 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.631 -8.830 -9.593 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.746 -7.123 -12.772 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -13.064 -8.032 -13.392 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.594 -9.588 -8.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.117 -9.765 -12.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.652 -10.873 -8.194 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.411 -10.958 -9.909 1.00 0.00 H new ATOM 343 N SER A 23 -9.162 -5.896 -7.213 1.00 0.00 N ATOM 344 CA SER A 23 -8.016 -5.615 -6.293 1.00 0.00 C ATOM 345 C SER A 23 -8.051 -6.468 -5.057 1.00 0.00 C ATOM 346 O SER A 23 -9.094 -6.888 -4.598 1.00 0.00 O ATOM 347 CB SER A 23 -8.070 -4.117 -5.886 1.00 0.00 C ATOM 348 OG SER A 23 -9.369 -3.695 -6.270 1.00 0.00 O ATOM 0 H SER A 23 -10.068 -5.555 -6.893 1.00 0.00 H new ATOM 0 HA SER A 23 -7.091 -5.849 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.911 -3.990 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.298 -3.539 -6.394 1.00 0.00 H new ATOM 0 HG SER A 23 -9.486 -2.749 -6.043 1.00 0.00 H new ATOM 354 N CYS A 24 -6.895 -6.678 -4.528 1.00 0.00 N ATOM 355 CA CYS A 24 -6.791 -7.504 -3.304 1.00 0.00 C ATOM 356 C CYS A 24 -7.232 -6.689 -2.090 1.00 0.00 C ATOM 357 O CYS A 24 -6.982 -5.502 -2.013 1.00 0.00 O ATOM 358 CB CYS A 24 -5.325 -7.952 -3.129 1.00 0.00 C ATOM 359 SG CYS A 24 -4.150 -6.769 -2.426 1.00 0.00 S ATOM 0 H CYS A 24 -6.012 -6.315 -4.887 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.436 -8.378 -3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.321 -8.841 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.950 -8.254 -4.107 1.00 0.00 H new ATOM 364 N GLU A 25 -7.878 -7.338 -1.165 1.00 0.00 N ATOM 365 CA GLU A 25 -8.347 -6.617 0.050 1.00 0.00 C ATOM 366 C GLU A 25 -7.267 -5.707 0.617 1.00 0.00 C ATOM 367 O GLU A 25 -7.482 -4.526 0.808 1.00 0.00 O ATOM 368 CB GLU A 25 -8.720 -7.658 1.117 1.00 0.00 C ATOM 369 CG GLU A 25 -9.506 -6.970 2.234 1.00 0.00 C ATOM 370 CD GLU A 25 -9.996 -8.024 3.230 1.00 0.00 C ATOM 371 OE1 GLU A 25 -9.141 -8.556 3.919 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.197 -8.237 3.245 1.00 0.00 O ATOM 0 H GLU A 25 -8.101 -8.333 -1.196 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.203 -6.000 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.317 -8.455 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.820 -8.122 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.876 -6.239 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.353 -6.426 1.816 1.00 0.00 H new ATOM 379 N GLY A 26 -6.128 -6.269 0.872 1.00 0.00 N ATOM 380 CA GLY A 26 -5.010 -5.450 1.433 1.00 0.00 C ATOM 381 C GLY A 26 -4.880 -4.112 0.697 1.00 0.00 C ATOM 382 O GLY A 26 -4.718 -3.077 1.315 1.00 0.00 O ATOM 0 H GLY A 26 -5.915 -7.255 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.185 -5.269 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.075 -6.004 1.354 1.00 0.00 H new ATOM 386 N CYS A 27 -4.955 -4.155 -0.605 1.00 0.00 N ATOM 387 CA CYS A 27 -4.837 -2.893 -1.377 1.00 0.00 C ATOM 388 C CYS A 27 -6.022 -1.984 -1.113 1.00 0.00 C ATOM 389 O CYS A 27 -5.854 -0.829 -0.838 1.00 0.00 O ATOM 390 CB CYS A 27 -4.764 -3.245 -2.883 1.00 0.00 C ATOM 391 SG CYS A 27 -3.126 -3.539 -3.569 1.00 0.00 S ATOM 0 H CYS A 27 -5.091 -5.000 -1.159 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.936 -2.363 -1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.369 -4.136 -3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.227 -2.433 -3.444 1.00 0.00 H new ATOM 396 N LYS A 28 -7.200 -2.510 -1.216 1.00 0.00 N ATOM 397 CA LYS A 28 -8.383 -1.652 -0.960 1.00 0.00 C ATOM 398 C LYS A 28 -8.217 -0.966 0.383 1.00 0.00 C ATOM 399 O LYS A 28 -8.417 0.215 0.502 1.00 0.00 O ATOM 400 CB LYS A 28 -9.639 -2.546 -0.925 1.00 0.00 C ATOM 401 CG LYS A 28 -10.896 -1.663 -0.887 1.00 0.00 C ATOM 402 CD LYS A 28 -12.091 -2.506 -0.429 1.00 0.00 C ATOM 403 CE LYS A 28 -13.372 -1.681 -0.572 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.406 -0.591 0.444 1.00 0.00 N ATOM 0 H LYS A 28 -7.398 -3.480 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.481 -0.900 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.662 -3.193 -1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.612 -3.196 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.745 -0.825 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.089 -1.242 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.161 -3.415 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.957 -2.816 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.427 -1.255 -1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.242 -2.326 -0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.359 -0.529 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.718 -0.796 1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.165 0.314 -0.009 1.00 0.00 H new ATOM 418 N ALA A 29 -7.826 -1.733 1.364 1.00 0.00 N ATOM 419 CA ALA A 29 -7.632 -1.155 2.718 1.00 0.00 C ATOM 420 C ALA A 29 -6.633 -0.005 2.664 1.00 0.00 C ATOM 421 O ALA A 29 -6.965 1.127 2.957 1.00 0.00 O ATOM 422 CB ALA A 29 -7.078 -2.262 3.638 1.00 0.00 C ATOM 0 H ALA A 29 -7.634 -2.732 1.284 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.582 -0.776 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.927 -1.861 4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.788 -3.088 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.127 -2.621 3.244 1.00 0.00 H new ATOM 428 N PHE A 30 -5.428 -0.321 2.289 1.00 0.00 N ATOM 429 CA PHE A 30 -4.381 0.732 2.204 1.00 0.00 C ATOM 430 C PHE A 30 -4.849 1.845 1.322 1.00 0.00 C ATOM 431 O PHE A 30 -4.736 3.010 1.646 1.00 0.00 O ATOM 432 CB PHE A 30 -3.126 0.097 1.542 1.00 0.00 C ATOM 433 CG PHE A 30 -2.113 1.203 1.135 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.313 1.961 -0.022 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.010 1.477 1.925 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.423 2.971 -0.363 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.132 2.486 1.573 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.346 3.225 0.432 1.00 0.00 C ATOM 0 H PHE A 30 -5.122 -1.261 2.038 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.163 1.118 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.655 -0.600 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.421 -0.477 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.165 1.760 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.834 0.900 2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.584 3.555 -1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.725 2.695 2.196 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.344 4.011 0.165 1.00 0.00 H new ATOM 448 N PHE A 31 -5.363 1.456 0.230 1.00 0.00 N ATOM 449 CA PHE A 31 -5.859 2.425 -0.728 1.00 0.00 C ATOM 450 C PHE A 31 -6.969 3.292 -0.130 1.00 0.00 C ATOM 451 O PHE A 31 -7.047 4.456 -0.426 1.00 0.00 O ATOM 452 CB PHE A 31 -6.387 1.616 -1.924 1.00 0.00 C ATOM 453 CG PHE A 31 -6.870 2.551 -3.018 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.038 3.514 -3.526 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.173 2.480 -3.469 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.486 4.394 -4.442 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.647 3.369 -4.391 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.794 4.338 -4.893 1.00 0.00 C ATOM 0 H PHE A 31 -5.464 0.480 -0.049 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.066 3.110 -1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.600 0.969 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.203 0.969 -1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.013 3.568 -3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.827 1.710 -3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.819 5.150 -4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.673 3.317 -4.724 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.146 5.044 -5.630 1.00 0.00 H new ATOM 468 N LYS A 32 -7.779 2.716 0.736 1.00 0.00 N ATOM 469 CA LYS A 32 -8.893 3.515 1.360 1.00 0.00 C ATOM 470 C LYS A 32 -8.340 4.610 2.261 1.00 0.00 C ATOM 471 O LYS A 32 -8.825 5.724 2.271 1.00 0.00 O ATOM 472 CB LYS A 32 -9.787 2.547 2.227 1.00 0.00 C ATOM 473 CG LYS A 32 -11.275 2.832 1.969 1.00 0.00 C ATOM 474 CD LYS A 32 -11.633 4.206 2.544 1.00 0.00 C ATOM 475 CE LYS A 32 -13.154 4.378 2.527 1.00 0.00 C ATOM 476 NZ LYS A 32 -13.534 5.710 3.079 1.00 0.00 N ATOM 0 H LYS A 32 -7.719 1.742 1.034 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.478 3.979 0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.559 1.510 1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.561 2.680 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.482 2.807 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.891 2.060 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.256 4.297 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.159 4.993 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.526 4.281 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.622 3.587 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.569 5.811 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.196 5.789 4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.103 6.461 2.503 1.00 0.00 H new ATOM 490 N ARG A 33 -7.338 4.265 2.993 1.00 0.00 N ATOM 491 CA ARG A 33 -6.723 5.250 3.911 1.00 0.00 C ATOM 492 C ARG A 33 -5.812 6.217 3.161 1.00 0.00 C ATOM 493 O ARG A 33 -5.403 7.231 3.692 1.00 0.00 O ATOM 494 CB ARG A 33 -5.868 4.447 4.904 1.00 0.00 C ATOM 495 CG ARG A 33 -5.532 5.313 6.126 1.00 0.00 C ATOM 496 CD ARG A 33 -4.381 4.663 6.898 1.00 0.00 C ATOM 497 NE ARG A 33 -4.145 5.432 8.155 1.00 0.00 N ATOM 498 CZ ARG A 33 -4.893 5.203 9.200 1.00 0.00 C ATOM 499 NH1 ARG A 33 -4.990 3.982 9.650 1.00 0.00 N ATOM 500 NH2 ARG A 33 -5.520 6.202 9.760 1.00 0.00 N ATOM 0 H ARG A 33 -6.912 3.338 2.999 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.501 5.834 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.405 3.552 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.950 4.114 4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.253 6.318 5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.407 5.413 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.622 3.626 7.131 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.478 4.651 6.288 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.404 6.132 8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.486 3.226 9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.570 3.784 10.465 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.421 7.143 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.109 6.041 10.577 1.00 0.00 H new ATOM 514 N SER A 34 -5.526 5.890 1.932 1.00 0.00 N ATOM 515 CA SER A 34 -4.629 6.770 1.106 1.00 0.00 C ATOM 516 C SER A 34 -5.288 7.389 -0.143 1.00 0.00 C ATOM 517 O SER A 34 -4.637 8.128 -0.848 1.00 0.00 O ATOM 518 CB SER A 34 -3.529 5.862 0.606 1.00 0.00 C ATOM 519 OG SER A 34 -2.946 5.329 1.786 1.00 0.00 O ATOM 0 H SER A 34 -5.870 5.055 1.458 1.00 0.00 H new ATOM 0 HA SER A 34 -4.314 7.603 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.925 5.073 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.797 6.413 0.015 1.00 0.00 H new ATOM 0 HG SER A 34 -2.543 6.054 2.308 1.00 0.00 H new ATOM 525 N ILE A 35 -6.534 7.095 -0.403 1.00 0.00 N ATOM 526 CA ILE A 35 -7.176 7.706 -1.640 1.00 0.00 C ATOM 527 C ILE A 35 -6.811 9.167 -1.839 1.00 0.00 C ATOM 528 O ILE A 35 -7.040 9.708 -2.902 1.00 0.00 O ATOM 529 CB ILE A 35 -8.725 7.605 -1.607 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.189 6.248 -1.074 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.250 7.780 -3.069 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.912 5.155 -2.128 1.00 0.00 C ATOM 0 H ILE A 35 -7.130 6.483 0.155 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.780 7.121 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.115 8.378 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.668 6.013 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.253 6.282 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.338 7.713 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.944 8.754 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.835 6.995 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.243 4.189 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.454 5.388 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.843 5.115 -2.338 1.00 0.00 H new ATOM 544 N GLN A 36 -6.291 9.809 -0.841 1.00 0.00 N ATOM 545 CA GLN A 36 -5.935 11.225 -1.054 1.00 0.00 C ATOM 546 C GLN A 36 -4.662 11.278 -1.894 1.00 0.00 C ATOM 547 O GLN A 36 -3.821 10.406 -1.804 1.00 0.00 O ATOM 548 CB GLN A 36 -5.685 11.919 0.307 1.00 0.00 C ATOM 549 CG GLN A 36 -5.184 10.887 1.345 1.00 0.00 C ATOM 550 CD GLN A 36 -6.383 10.232 2.048 1.00 0.00 C ATOM 551 OE1 GLN A 36 -6.490 8.933 2.043 1.00 0.00 O flip ATOM 552 NE2 GLN A 36 -7.230 10.901 2.605 1.00 0.00 N flip ATOM 0 H GLN A 36 -6.102 9.428 0.086 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.749 11.739 -1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.949 12.714 0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.604 12.385 0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.579 10.126 0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.544 11.377 2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.153 11.918 2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.018 10.446 3.065 1.00 0.00 H new ATOM 561 N GLY A 37 -4.545 12.285 -2.686 1.00 0.00 N ATOM 562 CA GLY A 37 -3.327 12.404 -3.541 1.00 0.00 C ATOM 563 C GLY A 37 -2.191 12.954 -2.705 1.00 0.00 C ATOM 564 O GLY A 37 -1.158 12.334 -2.550 1.00 0.00 O ATOM 0 H GLY A 37 -5.229 13.035 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.057 11.430 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.524 13.061 -4.388 1.00 0.00 H new ATOM 568 N HIS A 38 -2.417 14.128 -2.206 1.00 0.00 N ATOM 569 CA HIS A 38 -1.393 14.795 -1.359 1.00 0.00 C ATOM 570 C HIS A 38 -1.006 13.902 -0.197 1.00 0.00 C ATOM 571 O HIS A 38 -1.189 12.712 -0.250 1.00 0.00 O ATOM 572 CB HIS A 38 -2.002 16.117 -0.816 1.00 0.00 C ATOM 573 CG HIS A 38 -0.883 17.140 -0.559 1.00 0.00 C ATOM 574 ND1 HIS A 38 0.479 16.945 -0.410 1.00 0.00 N flip ATOM 575 CD2 HIS A 38 -1.057 18.371 -0.444 1.00 0.00 C flip ATOM 576 CE1 HIS A 38 1.081 18.149 -0.201 1.00 0.00 C flip ATOM 577 NE2 HIS A 38 0.038 18.979 -0.239 1.00 0.00 N flip ATOM 0 H HIS A 38 -3.274 14.662 -2.348 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.500 14.997 -1.950 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.718 16.520 -1.533 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.549 15.924 0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.019 18.858 -0.511 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.126 18.372 -0.046 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.112 19.989 -0.117 1.00 0.00 H new ATOM 585 N ASN A 39 -0.472 14.516 0.821 1.00 0.00 N ATOM 586 CA ASN A 39 -0.039 13.752 2.049 1.00 0.00 C ATOM 587 C ASN A 39 1.348 13.155 1.839 1.00 0.00 C ATOM 588 O ASN A 39 1.811 13.047 0.721 1.00 0.00 O ATOM 589 CB ASN A 39 -1.057 12.636 2.354 1.00 0.00 C ATOM 590 CG ASN A 39 -0.938 12.220 3.824 1.00 0.00 C ATOM 591 OD1 ASN A 39 0.136 11.597 4.222 1.00 0.00 O flip ATOM 592 ND2 ASN A 39 -1.823 12.463 4.623 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.311 15.522 0.866 1.00 0.00 H new ATOM 0 HA ASN A 39 0.003 14.437 2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.068 12.985 2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.876 11.778 1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.666 12.950 4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.722 12.180 5.598 1.00 0.00 H new ATOM 599 N ASP A 40 1.993 12.777 2.914 1.00 0.00 N ATOM 600 CA ASP A 40 3.356 12.189 2.764 1.00 0.00 C ATOM 601 C ASP A 40 3.303 10.875 2.029 1.00 0.00 C ATOM 602 O ASP A 40 2.797 9.890 2.528 1.00 0.00 O ATOM 603 CB ASP A 40 3.964 11.946 4.128 1.00 0.00 C ATOM 604 CG ASP A 40 3.854 13.217 4.973 1.00 0.00 C ATOM 605 OD1 ASP A 40 4.405 14.212 4.530 1.00 0.00 O ATOM 606 OD2 ASP A 40 3.225 13.122 6.015 1.00 0.00 O ATOM 0 H ASP A 40 1.643 12.848 3.869 1.00 0.00 H new ATOM 0 HA ASP A 40 3.961 12.895 2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.451 11.122 4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.009 11.655 4.025 1.00 0.00 H new ATOM 611 N TYR A 41 3.837 10.887 0.862 1.00 0.00 N ATOM 612 CA TYR A 41 3.855 9.655 0.019 1.00 0.00 C ATOM 613 C TYR A 41 5.060 9.696 -0.916 1.00 0.00 C ATOM 614 O TYR A 41 4.993 10.270 -1.983 1.00 0.00 O ATOM 615 CB TYR A 41 2.552 9.625 -0.856 1.00 0.00 C ATOM 616 CG TYR A 41 1.376 9.005 -0.073 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.746 9.710 0.920 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.939 7.732 -0.369 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.300 9.163 1.626 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.126 7.162 0.330 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.750 7.884 1.340 1.00 0.00 C ATOM 622 OH TYR A 41 -1.798 7.342 2.047 1.00 0.00 O ATOM 0 H TYR A 41 4.273 11.705 0.436 1.00 0.00 H new ATOM 0 HA TYR A 41 3.910 8.774 0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.294 10.638 -1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.732 9.050 -1.764 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.077 10.712 1.152 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.426 7.169 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.774 9.735 2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.463 6.165 0.087 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.263 8.051 2.538 1.00 0.00 H new ATOM 632 N MET A 42 6.146 9.090 -0.501 1.00 0.00 N ATOM 633 CA MET A 42 7.361 9.093 -1.371 1.00 0.00 C ATOM 634 C MET A 42 8.264 7.896 -1.049 1.00 0.00 C ATOM 635 O MET A 42 8.402 7.502 0.091 1.00 0.00 O ATOM 636 CB MET A 42 8.149 10.428 -1.114 1.00 0.00 C ATOM 637 CG MET A 42 7.991 11.374 -2.317 1.00 0.00 C ATOM 638 SD MET A 42 8.564 13.079 -2.113 1.00 0.00 S ATOM 639 CE MET A 42 10.333 12.749 -2.296 1.00 0.00 C ATOM 0 H MET A 42 6.243 8.601 0.389 1.00 0.00 H new ATOM 0 HA MET A 42 7.058 9.020 -2.415 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.777 10.911 -0.210 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.204 10.211 -0.948 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.524 10.938 -3.162 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.935 11.403 -2.587 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.889 13.682 -2.203 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.656 12.055 -1.520 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.522 12.311 -3.276 1.00 0.00 H new ATOM 649 N CYS A 43 8.857 7.351 -2.073 1.00 0.00 N ATOM 650 CA CYS A 43 9.759 6.182 -1.870 1.00 0.00 C ATOM 651 C CYS A 43 10.864 6.543 -0.847 1.00 0.00 C ATOM 652 O CYS A 43 11.023 7.695 -0.495 1.00 0.00 O ATOM 653 CB CYS A 43 10.398 5.823 -3.257 1.00 0.00 C ATOM 654 SG CYS A 43 9.994 4.202 -3.959 1.00 0.00 S ATOM 0 H CYS A 43 8.757 7.662 -3.039 1.00 0.00 H new ATOM 0 HA CYS A 43 9.202 5.330 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.098 6.586 -3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.481 5.887 -3.157 1.00 0.00 H new ATOM 659 N PRO A 44 11.615 5.541 -0.383 1.00 0.00 N ATOM 660 CA PRO A 44 12.686 5.788 0.586 1.00 0.00 C ATOM 661 C PRO A 44 13.812 6.658 -0.015 1.00 0.00 C ATOM 662 O PRO A 44 14.930 6.634 0.461 1.00 0.00 O ATOM 663 CB PRO A 44 13.235 4.369 0.954 1.00 0.00 C ATOM 664 CG PRO A 44 12.505 3.338 0.027 1.00 0.00 C ATOM 665 CD PRO A 44 11.428 4.123 -0.770 1.00 0.00 C ATOM 0 HA PRO A 44 12.315 6.333 1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.314 4.323 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.047 4.144 2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.213 2.860 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.045 2.546 0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.556 3.988 -1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.425 3.776 -0.523 1.00 0.00 H new ATOM 673 N ALA A 45 13.497 7.405 -1.046 1.00 0.00 N ATOM 674 CA ALA A 45 14.502 8.250 -1.666 1.00 0.00 C ATOM 675 C ALA A 45 13.774 9.261 -2.435 1.00 0.00 C ATOM 676 O ALA A 45 12.927 9.940 -1.884 1.00 0.00 O ATOM 677 CB ALA A 45 15.385 7.395 -2.596 1.00 0.00 C ATOM 0 H ALA A 45 12.571 7.449 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 45 15.151 8.720 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 45 16.140 8.027 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.874 6.613 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.765 6.939 -3.368 1.00 0.00 H new ATOM 683 N THR A 46 14.038 9.372 -3.691 1.00 0.00 N ATOM 684 CA THR A 46 13.302 10.381 -4.429 1.00 0.00 C ATOM 685 C THR A 46 13.516 10.267 -5.950 1.00 0.00 C ATOM 686 O THR A 46 13.665 11.264 -6.627 1.00 0.00 O ATOM 687 CB THR A 46 13.802 11.763 -3.926 1.00 0.00 C ATOM 688 OG1 THR A 46 12.848 12.699 -4.382 1.00 0.00 O ATOM 689 CG2 THR A 46 15.132 12.186 -4.609 1.00 0.00 C ATOM 0 H THR A 46 14.714 8.820 -4.219 1.00 0.00 H new ATOM 0 HA THR A 46 12.234 10.248 -4.258 1.00 0.00 H new ATOM 0 HB THR A 46 13.943 11.718 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.764 12.632 -5.356 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.444 13.158 -4.227 1.00 0.00 H new ATOM 0 HG22 THR A 46 15.903 11.447 -4.393 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.983 12.251 -5.687 1.00 0.00 H new ATOM 697 N ASN A 47 13.517 9.065 -6.467 1.00 0.00 N ATOM 698 CA ASN A 47 13.722 8.925 -7.936 1.00 0.00 C ATOM 699 C ASN A 47 13.382 7.522 -8.435 1.00 0.00 C ATOM 700 O ASN A 47 13.962 7.055 -9.395 1.00 0.00 O ATOM 701 CB ASN A 47 15.203 9.204 -8.237 1.00 0.00 C ATOM 702 CG ASN A 47 15.393 9.367 -9.747 1.00 0.00 C ATOM 703 OD1 ASN A 47 15.584 8.407 -10.468 1.00 0.00 O ATOM 704 ND2 ASN A 47 15.349 10.564 -10.265 1.00 0.00 N ATOM 0 H ASN A 47 13.388 8.196 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 47 13.062 9.629 -8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.527 10.107 -7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.821 8.386 -7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.474 10.690 -11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.189 11.374 -9.665 1.00 0.00 H new ATOM 711 N GLN A 48 12.449 6.877 -7.791 1.00 0.00 N ATOM 712 CA GLN A 48 12.082 5.506 -8.240 1.00 0.00 C ATOM 713 C GLN A 48 10.857 4.990 -7.496 1.00 0.00 C ATOM 714 O GLN A 48 10.662 5.288 -6.336 1.00 0.00 O ATOM 715 CB GLN A 48 13.263 4.563 -7.942 1.00 0.00 C ATOM 716 CG GLN A 48 13.015 3.213 -8.621 1.00 0.00 C ATOM 717 CD GLN A 48 14.304 2.387 -8.591 1.00 0.00 C ATOM 718 OE1 GLN A 48 15.055 2.425 -7.637 1.00 0.00 O ATOM 719 NE2 GLN A 48 14.596 1.629 -9.612 1.00 0.00 N ATOM 0 H GLN A 48 11.933 7.233 -6.987 1.00 0.00 H new ATOM 0 HA GLN A 48 11.855 5.538 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.193 5.000 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.373 4.427 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.215 2.678 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.691 3.365 -9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.969 1.593 -10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.451 1.073 -9.606 1.00 0.00 H new ATOM 728 N CYS A 49 10.044 4.223 -8.183 1.00 0.00 N ATOM 729 CA CYS A 49 8.822 3.674 -7.531 1.00 0.00 C ATOM 730 C CYS A 49 8.353 2.389 -8.244 1.00 0.00 C ATOM 731 O CYS A 49 8.182 2.357 -9.446 1.00 0.00 O ATOM 732 CB CYS A 49 7.690 4.745 -7.579 1.00 0.00 C ATOM 733 SG CYS A 49 7.512 5.845 -6.135 1.00 0.00 S ATOM 0 H CYS A 49 10.175 3.957 -9.159 1.00 0.00 H new ATOM 0 HA CYS A 49 9.056 3.427 -6.495 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.853 5.368 -8.459 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.742 4.227 -7.726 1.00 0.00 H new ATOM 738 N THR A 50 8.152 1.372 -7.460 1.00 0.00 N ATOM 739 CA THR A 50 7.695 0.059 -8.000 1.00 0.00 C ATOM 740 C THR A 50 7.398 -0.898 -6.839 1.00 0.00 C ATOM 741 O THR A 50 8.159 -0.961 -5.892 1.00 0.00 O ATOM 742 CB THR A 50 8.821 -0.538 -8.859 1.00 0.00 C ATOM 743 OG1 THR A 50 8.776 0.167 -10.081 1.00 0.00 O ATOM 744 CG2 THR A 50 8.507 -1.993 -9.244 1.00 0.00 C ATOM 0 H THR A 50 8.287 1.392 -6.449 1.00 0.00 H new ATOM 0 HA THR A 50 6.794 0.200 -8.597 1.00 0.00 H new ATOM 0 HB THR A 50 9.765 -0.481 -8.316 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.176 0.937 -9.993 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.319 -2.392 -9.852 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.401 -2.594 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.578 -2.026 -9.813 1.00 0.00 H new ATOM 752 N ILE A 51 6.292 -1.630 -6.927 1.00 0.00 N ATOM 753 CA ILE A 51 5.938 -2.596 -5.815 1.00 0.00 C ATOM 754 C ILE A 51 5.810 -4.024 -6.326 1.00 0.00 C ATOM 755 O ILE A 51 5.951 -4.289 -7.504 1.00 0.00 O ATOM 756 CB ILE A 51 4.592 -2.157 -5.192 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.307 -2.960 -3.896 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.443 -2.407 -6.215 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.405 -2.136 -2.972 1.00 0.00 C ATOM 0 H ILE A 51 5.633 -1.601 -7.705 1.00 0.00 H new ATOM 0 HA ILE A 51 6.738 -2.577 -5.075 1.00 0.00 H new ATOM 0 HB ILE A 51 4.648 -1.097 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.826 -3.907 -4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.243 -3.199 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.493 -2.098 -5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.630 -1.830 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.401 -3.468 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.205 -2.700 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.903 -1.200 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.465 -1.920 -3.479 1.00 0.00 H new ATOM 771 N ASP A 52 5.541 -4.915 -5.416 1.00 0.00 N ATOM 772 CA ASP A 52 5.392 -6.340 -5.785 1.00 0.00 C ATOM 773 C ASP A 52 4.901 -7.134 -4.586 1.00 0.00 C ATOM 774 O ASP A 52 4.277 -8.167 -4.728 1.00 0.00 O ATOM 775 CB ASP A 52 6.766 -6.876 -6.193 1.00 0.00 C ATOM 776 CG ASP A 52 6.609 -8.281 -6.782 1.00 0.00 C ATOM 777 OD1 ASP A 52 5.935 -8.371 -7.795 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.172 -9.184 -6.185 1.00 0.00 O ATOM 0 H ASP A 52 5.418 -4.711 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 52 4.677 -6.436 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.225 -6.212 -6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.429 -6.904 -5.328 1.00 0.00 H new ATOM 783 N LYS A 53 5.215 -6.633 -3.419 1.00 0.00 N ATOM 784 CA LYS A 53 4.788 -7.322 -2.172 1.00 0.00 C ATOM 785 C LYS A 53 3.277 -7.582 -2.187 1.00 0.00 C ATOM 786 O LYS A 53 2.638 -7.465 -3.213 1.00 0.00 O ATOM 787 CB LYS A 53 5.139 -6.404 -0.975 1.00 0.00 C ATOM 788 CG LYS A 53 6.623 -6.569 -0.626 1.00 0.00 C ATOM 789 CD LYS A 53 7.481 -6.090 -1.803 1.00 0.00 C ATOM 790 CE LYS A 53 8.922 -5.886 -1.327 1.00 0.00 C ATOM 791 NZ LYS A 53 9.827 -5.644 -2.487 1.00 0.00 N ATOM 0 H LYS A 53 5.749 -5.775 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 53 5.299 -8.282 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.926 -5.365 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.521 -6.658 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.863 -5.996 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.841 -7.614 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.452 -6.822 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.082 -5.158 -2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.968 -5.041 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.256 -6.764 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.800 -5.508 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.796 -6.462 -3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.517 -4.793 -2.998 1.00 0.00 H new ATOM 805 N ASN A 54 2.727 -7.923 -1.039 1.00 0.00 N ATOM 806 CA ASN A 54 1.254 -8.196 -0.967 1.00 0.00 C ATOM 807 C ASN A 54 0.627 -7.564 0.273 1.00 0.00 C ATOM 808 O ASN A 54 -0.580 -7.510 0.396 1.00 0.00 O ATOM 809 CB ASN A 54 1.060 -9.715 -0.884 1.00 0.00 C ATOM 810 CG ASN A 54 1.837 -10.388 -2.016 1.00 0.00 C ATOM 811 OD1 ASN A 54 2.037 -9.819 -3.070 1.00 0.00 O ATOM 812 ND2 ASN A 54 2.292 -11.598 -1.839 1.00 0.00 N ATOM 0 H ASN A 54 3.231 -8.023 -0.158 1.00 0.00 H new ATOM 0 HA ASN A 54 0.775 -7.771 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.407 -10.085 0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.001 -9.962 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.813 -12.061 -2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.127 -12.081 -0.956 1.00 0.00 H new ATOM 819 N ARG A 55 1.455 -7.093 1.174 1.00 0.00 N ATOM 820 CA ARG A 55 0.921 -6.462 2.413 1.00 0.00 C ATOM 821 C ARG A 55 0.896 -4.954 2.288 1.00 0.00 C ATOM 822 O ARG A 55 -0.026 -4.377 1.748 1.00 0.00 O ATOM 823 CB ARG A 55 1.850 -6.858 3.584 1.00 0.00 C ATOM 824 CG ARG A 55 1.610 -8.334 3.953 1.00 0.00 C ATOM 825 CD ARG A 55 0.189 -8.518 4.546 1.00 0.00 C ATOM 826 NE ARG A 55 -0.739 -8.940 3.457 1.00 0.00 N ATOM 827 CZ ARG A 55 -0.718 -10.177 3.041 1.00 0.00 C ATOM 828 NH1 ARG A 55 -0.981 -11.131 3.890 1.00 0.00 N ATOM 829 NH2 ARG A 55 -0.436 -10.418 1.789 1.00 0.00 N ATOM 0 H ARG A 55 2.472 -7.120 1.102 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.100 -6.805 2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.892 -6.707 3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.657 -6.220 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.726 -8.960 3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.358 -8.661 4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.205 -9.266 5.338 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.156 -7.586 4.995 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.384 -8.268 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.198 -10.904 4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.969 -12.104 3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.237 -9.646 1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.415 -11.379 1.447 1.00 0.00 H new ATOM 843 N ARG A 56 1.906 -4.363 2.783 1.00 0.00 N ATOM 844 CA ARG A 56 2.015 -2.880 2.733 1.00 0.00 C ATOM 845 C ARG A 56 3.338 -2.424 3.335 1.00 0.00 C ATOM 846 O ARG A 56 3.465 -1.305 3.790 1.00 0.00 O ATOM 847 CB ARG A 56 0.866 -2.279 3.563 1.00 0.00 C ATOM 848 CG ARG A 56 0.816 -2.967 4.932 1.00 0.00 C ATOM 849 CD ARG A 56 -0.324 -2.365 5.755 1.00 0.00 C ATOM 850 NE ARG A 56 -0.050 -0.917 5.979 1.00 0.00 N ATOM 851 CZ ARG A 56 -0.864 -0.221 6.724 1.00 0.00 C ATOM 852 NH1 ARG A 56 -0.960 -0.506 7.993 1.00 0.00 N ATOM 853 NH2 ARG A 56 -1.557 0.739 6.174 1.00 0.00 N ATOM 0 H ARG A 56 2.689 -4.836 3.234 1.00 0.00 H new ATOM 0 HA ARG A 56 1.963 -2.551 1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.014 -1.206 3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.082 -2.411 3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.665 -4.039 4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.765 -2.837 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.273 -2.492 5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.413 -2.883 6.710 1.00 0.00 H new ATOM 0 HE ARG A 56 0.765 -0.475 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.403 -1.263 8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.592 0.029 8.589 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.457 0.934 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.199 1.294 6.740 1.00 0.00 H new ATOM 867 N LYS A 57 4.304 -3.309 3.327 1.00 0.00 N ATOM 868 CA LYS A 57 5.639 -2.959 3.896 1.00 0.00 C ATOM 869 C LYS A 57 6.547 -2.337 2.826 1.00 0.00 C ATOM 870 O LYS A 57 7.756 -2.368 2.940 1.00 0.00 O ATOM 871 CB LYS A 57 6.285 -4.278 4.432 1.00 0.00 C ATOM 872 CG LYS A 57 7.067 -3.991 5.734 1.00 0.00 C ATOM 873 CD LYS A 57 6.090 -3.947 6.938 1.00 0.00 C ATOM 874 CE LYS A 57 5.852 -5.372 7.479 1.00 0.00 C ATOM 875 NZ LYS A 57 6.930 -5.753 8.434 1.00 0.00 N ATOM 0 H LYS A 57 4.225 -4.254 2.952 1.00 0.00 H new ATOM 0 HA LYS A 57 5.519 -2.228 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.511 -5.022 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.954 -4.697 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.820 -4.763 5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.596 -3.042 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.499 -3.314 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.143 -3.503 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.883 -5.422 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.823 -6.081 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.755 -6.715 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.849 -5.725 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.939 -5.086 9.232 1.00 0.00 H new ATOM 889 N SER A 58 5.936 -1.780 1.805 1.00 0.00 N ATOM 890 CA SER A 58 6.730 -1.141 0.702 1.00 0.00 C ATOM 891 C SER A 58 6.614 0.379 0.764 1.00 0.00 C ATOM 892 O SER A 58 6.577 0.957 1.832 1.00 0.00 O ATOM 893 CB SER A 58 6.153 -1.622 -0.639 1.00 0.00 C ATOM 894 OG SER A 58 6.161 -3.038 -0.533 1.00 0.00 O ATOM 0 H SER A 58 4.924 -1.740 1.687 1.00 0.00 H new ATOM 0 HA SER A 58 7.779 -1.417 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.145 -1.240 -0.799 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.759 -1.282 -1.479 1.00 0.00 H new ATOM 0 HG SER A 58 5.240 -3.366 -0.460 1.00 0.00 H new ATOM 900 N CYS A 59 6.556 1.007 -0.391 1.00 0.00 N ATOM 901 CA CYS A 59 6.441 2.500 -0.421 1.00 0.00 C ATOM 902 C CYS A 59 4.996 2.897 -0.579 1.00 0.00 C ATOM 903 O CYS A 59 4.351 2.539 -1.542 1.00 0.00 O ATOM 904 CB CYS A 59 7.243 3.036 -1.621 1.00 0.00 C ATOM 905 SG CYS A 59 6.662 4.559 -2.432 1.00 0.00 S ATOM 0 H CYS A 59 6.583 0.553 -1.304 1.00 0.00 H new ATOM 0 HA CYS A 59 6.830 2.915 0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.267 3.206 -1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.279 2.250 -2.375 1.00 0.00 H new ATOM 910 N GLN A 60 4.505 3.620 0.373 1.00 0.00 N ATOM 911 CA GLN A 60 3.103 4.049 0.297 1.00 0.00 C ATOM 912 C GLN A 60 2.845 4.834 -0.984 1.00 0.00 C ATOM 913 O GLN A 60 1.734 4.890 -1.469 1.00 0.00 O ATOM 914 CB GLN A 60 2.816 4.956 1.508 1.00 0.00 C ATOM 915 CG GLN A 60 3.330 4.273 2.776 1.00 0.00 C ATOM 916 CD GLN A 60 2.808 5.025 4.002 1.00 0.00 C ATOM 917 OE1 GLN A 60 3.564 5.598 4.761 1.00 0.00 O ATOM 918 NE2 GLN A 60 1.523 5.048 4.232 1.00 0.00 N ATOM 0 H GLN A 60 5.016 3.931 1.199 1.00 0.00 H new ATOM 0 HA GLN A 60 2.456 3.172 0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.302 5.923 1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.746 5.146 1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.999 3.235 2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.420 4.260 2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.883 4.569 3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.159 5.545 5.045 1.00 0.00 H new ATOM 927 N ALA A 61 3.885 5.416 -1.519 1.00 0.00 N ATOM 928 CA ALA A 61 3.721 6.207 -2.775 1.00 0.00 C ATOM 929 C ALA A 61 3.772 5.319 -3.997 1.00 0.00 C ATOM 930 O ALA A 61 3.596 5.780 -5.102 1.00 0.00 O ATOM 931 CB ALA A 61 4.826 7.279 -2.809 1.00 0.00 C ATOM 0 H ALA A 61 4.833 5.379 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 61 2.742 6.686 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.729 7.872 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.729 7.929 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.803 6.795 -2.794 1.00 0.00 H new ATOM 937 N CYS A 62 4.024 4.059 -3.779 1.00 0.00 N ATOM 938 CA CYS A 62 4.086 3.110 -4.918 1.00 0.00 C ATOM 939 C CYS A 62 2.777 2.380 -4.954 1.00 0.00 C ATOM 940 O CYS A 62 2.169 2.254 -5.979 1.00 0.00 O ATOM 941 CB CYS A 62 5.229 2.082 -4.670 1.00 0.00 C ATOM 942 SG CYS A 62 6.862 2.443 -5.320 1.00 0.00 S ATOM 0 H CYS A 62 4.189 3.648 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 62 4.274 3.636 -5.854 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.324 1.945 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.911 1.126 -5.086 1.00 0.00 H new ATOM 947 N ARG A 63 2.376 1.892 -3.816 1.00 0.00 N ATOM 948 CA ARG A 63 1.107 1.173 -3.770 1.00 0.00 C ATOM 949 C ARG A 63 0.029 2.135 -4.183 1.00 0.00 C ATOM 950 O ARG A 63 -0.774 1.846 -5.041 1.00 0.00 O ATOM 951 CB ARG A 63 0.862 0.702 -2.315 1.00 0.00 C ATOM 952 CG ARG A 63 -0.453 -0.106 -2.222 1.00 0.00 C ATOM 953 CD ARG A 63 -0.199 -1.563 -2.619 1.00 0.00 C ATOM 954 NE ARG A 63 0.836 -2.149 -1.698 1.00 0.00 N ATOM 955 CZ ARG A 63 0.562 -3.235 -1.010 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.589 -3.319 -0.402 1.00 0.00 N ATOM 957 NH2 ARG A 63 1.445 -4.194 -0.962 1.00 0.00 N ATOM 0 H ARG A 63 2.877 1.966 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 63 1.113 0.307 -4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.698 0.088 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.814 1.565 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.847 -0.060 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.206 0.332 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.124 -2.136 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.143 -1.617 -3.653 1.00 0.00 H new ATOM 0 HE ARG A 63 1.749 -1.704 -1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.257 -2.551 -0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.821 -4.153 0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.333 -4.095 -1.454 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.247 -5.043 -0.432 1.00 0.00 H new ATOM 971 N LEU A 64 0.044 3.280 -3.560 1.00 0.00 N ATOM 972 CA LEU A 64 -0.960 4.290 -3.890 1.00 0.00 C ATOM 973 C LEU A 64 -0.930 4.620 -5.363 1.00 0.00 C ATOM 974 O LEU A 64 -1.913 4.492 -6.062 1.00 0.00 O ATOM 975 CB LEU A 64 -0.631 5.577 -3.140 1.00 0.00 C ATOM 976 CG LEU A 64 -1.763 6.608 -3.361 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.125 6.020 -2.855 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.420 7.892 -2.561 1.00 0.00 C ATOM 0 H LEU A 64 0.714 3.547 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.939 3.896 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.515 5.371 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.318 5.982 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.854 6.839 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.918 6.751 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.356 5.109 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.050 5.791 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.208 8.632 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.339 7.650 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.472 8.298 -2.914 1.00 0.00 H new ATOM 990 N ARG A 65 0.209 5.062 -5.807 1.00 0.00 N ATOM 991 CA ARG A 65 0.337 5.411 -7.224 1.00 0.00 C ATOM 992 C ARG A 65 -0.036 4.233 -8.074 1.00 0.00 C ATOM 993 O ARG A 65 -0.703 4.373 -9.077 1.00 0.00 O ATOM 994 CB ARG A 65 1.821 5.775 -7.499 1.00 0.00 C ATOM 995 CG ARG A 65 2.123 7.184 -6.948 1.00 0.00 C ATOM 996 CD ARG A 65 1.270 8.252 -7.686 1.00 0.00 C ATOM 997 NE ARG A 65 0.909 7.758 -9.051 1.00 0.00 N ATOM 998 CZ ARG A 65 1.763 7.892 -10.032 1.00 0.00 C ATOM 999 NH1 ARG A 65 3.004 7.535 -9.841 1.00 0.00 N ATOM 1000 NH2 ARG A 65 1.347 8.378 -11.169 1.00 0.00 N ATOM 0 H ARG A 65 1.049 5.193 -5.244 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.320 6.248 -7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.478 5.042 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.021 5.743 -8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.911 7.216 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.183 7.409 -7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.366 8.466 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.827 9.186 -7.763 1.00 0.00 H new ATOM 0 HE ARG A 65 0.003 7.320 -9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.293 7.159 -8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.684 7.632 -10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.369 8.646 -11.282 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.999 8.490 -11.945 1.00 0.00 H new ATOM 1014 N LYS A 66 0.397 3.080 -7.665 1.00 0.00 N ATOM 1015 CA LYS A 66 0.069 1.889 -8.444 1.00 0.00 C ATOM 1016 C LYS A 66 -1.366 1.550 -8.231 1.00 0.00 C ATOM 1017 O LYS A 66 -1.886 0.691 -8.893 1.00 0.00 O ATOM 1018 CB LYS A 66 0.955 0.715 -7.985 1.00 0.00 C ATOM 1019 CG LYS A 66 2.437 1.007 -8.340 1.00 0.00 C ATOM 1020 CD LYS A 66 2.734 0.526 -9.771 1.00 0.00 C ATOM 1021 CE LYS A 66 4.052 1.144 -10.249 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.859 2.580 -10.599 1.00 0.00 N ATOM 0 H LYS A 66 0.960 2.922 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 66 0.247 2.078 -9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.851 0.567 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.631 -0.208 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.637 2.075 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.096 0.503 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.799 -0.562 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.922 0.812 -10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.808 1.052 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.422 0.599 -11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.674 2.915 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.991 2.686 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.777 3.142 -9.728 1.00 0.00 H new ATOM 1036 N CYS A 67 -1.990 2.190 -7.245 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.419 1.903 -6.997 1.00 0.00 C ATOM 1038 C CYS A 67 -4.227 2.837 -7.873 1.00 0.00 C ATOM 1039 O CYS A 67 -5.319 2.531 -8.255 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.749 2.141 -5.511 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.056 0.680 -4.491 1.00 0.00 S ATOM 0 H CYS A 67 -1.563 2.880 -6.626 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.654 0.865 -7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.924 2.697 -5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.630 2.781 -5.458 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.506 0.842 -3.324 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.667 3.999 -8.143 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.397 4.970 -9.008 1.00 0.00 C ATOM 1049 C TYR A 68 -4.089 4.642 -10.465 1.00 0.00 C ATOM 1050 O TYR A 68 -4.921 4.812 -11.333 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.873 6.416 -8.753 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.195 6.970 -7.334 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.457 6.829 -6.743 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.245 7.756 -6.685 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.747 7.472 -5.540 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.555 8.403 -5.498 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.792 8.262 -4.922 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.064 8.884 -3.737 1.00 0.00 O ATOM 0 H TYR A 68 -2.754 4.306 -7.806 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.463 4.906 -8.788 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.793 6.430 -8.900 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.305 7.084 -9.498 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.209 6.219 -7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.258 7.862 -7.110 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.721 7.353 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.813 9.026 -5.021 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.849 9.461 -3.843 1.00 0.00 H new ATOM 1068 N GLU A 69 -2.878 4.172 -10.705 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.486 3.822 -12.098 1.00 0.00 C ATOM 1070 C GLU A 69 -3.482 2.850 -12.656 1.00 0.00 C ATOM 1071 O GLU A 69 -3.570 2.603 -13.842 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.103 3.162 -12.029 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.444 3.217 -13.408 1.00 0.00 C ATOM 1074 CD GLU A 69 0.932 2.554 -13.336 1.00 0.00 C ATOM 1075 OE1 GLU A 69 1.457 2.516 -12.235 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.382 2.122 -14.385 1.00 0.00 O ATOM 0 H GLU A 69 -2.159 4.021 -9.998 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.459 4.706 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.480 3.674 -11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.198 2.127 -11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.068 2.708 -14.143 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.345 4.252 -13.736 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.194 2.339 -11.759 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.248 1.353 -12.054 1.00 0.00 C ATOM 1085 C VAL A 70 -6.440 1.993 -12.694 1.00 0.00 C ATOM 1086 O VAL A 70 -6.859 1.658 -13.785 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.721 0.837 -10.696 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.773 -0.245 -10.854 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.563 0.298 -9.913 1.00 0.00 C ATOM 0 H VAL A 70 -4.100 2.563 -10.768 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.854 0.587 -12.722 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.165 1.676 -10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.089 -0.592 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.632 0.158 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.354 -1.080 -11.416 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.915 -0.066 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.101 -0.521 -10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.829 1.089 -9.757 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.945 2.907 -11.971 1.00 0.00 N ATOM 1100 CA GLY A 71 -8.140 3.676 -12.396 1.00 0.00 C ATOM 1101 C GLY A 71 -9.302 3.210 -11.518 1.00 0.00 C ATOM 1102 O GLY A 71 -10.429 3.113 -11.959 1.00 0.00 O ATOM 0 H GLY A 71 -6.575 3.178 -11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.972 4.747 -12.279 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.357 3.501 -13.450 1.00 0.00 H new ATOM 1106 N MET A 72 -8.978 2.927 -10.265 1.00 0.00 N ATOM 1107 CA MET A 72 -10.047 2.452 -9.306 1.00 0.00 C ATOM 1108 C MET A 72 -10.812 3.600 -8.750 1.00 0.00 C ATOM 1109 O MET A 72 -11.978 3.794 -9.028 1.00 0.00 O ATOM 1110 CB MET A 72 -9.411 1.666 -8.062 1.00 0.00 C ATOM 1111 CG MET A 72 -7.886 1.851 -7.994 1.00 0.00 C ATOM 1112 SD MET A 72 -7.116 1.801 -6.374 1.00 0.00 S ATOM 1113 CE MET A 72 -7.725 0.181 -5.947 1.00 0.00 C ATOM 0 H MET A 72 -8.040 3.002 -9.872 1.00 0.00 H new ATOM 0 HA MET A 72 -10.700 1.792 -9.878 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.863 2.023 -7.136 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.646 0.605 -8.143 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.426 1.078 -8.609 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.643 2.810 -8.452 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.148 -0.216 -5.112 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.775 0.250 -5.662 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.625 -0.483 -6.805 1.00 0.00 H new ATOM 1123 N MET A 73 -10.125 4.319 -7.970 1.00 0.00 N ATOM 1124 CA MET A 73 -10.709 5.492 -7.321 1.00 0.00 C ATOM 1125 C MET A 73 -11.815 5.028 -6.427 1.00 0.00 C ATOM 1126 O MET A 73 -12.726 4.356 -6.865 1.00 0.00 O ATOM 1127 CB MET A 73 -11.266 6.471 -8.362 1.00 0.00 C ATOM 1128 CG MET A 73 -10.235 6.675 -9.478 1.00 0.00 C ATOM 1129 SD MET A 73 -10.533 8.028 -10.645 1.00 0.00 S ATOM 1130 CE MET A 73 -8.818 8.247 -11.179 1.00 0.00 C ATOM 0 H MET A 73 -9.147 4.146 -7.740 1.00 0.00 H new ATOM 0 HA MET A 73 -9.941 6.010 -6.747 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.196 6.085 -8.778 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.500 7.425 -7.890 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.262 6.838 -9.013 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.165 5.748 -10.047 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.766 9.049 -11.915 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.199 8.503 -10.319 1.00 0.00 H new ATOM 0 HE3 MET A 73 -8.455 7.321 -11.625 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.702 5.368 -5.182 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.738 4.959 -4.201 1.00 0.00 C ATOM 1142 C LYS A 74 -14.148 4.949 -4.821 1.00 0.00 C ATOM 1143 O LYS A 74 -15.009 4.206 -4.397 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.727 5.956 -3.023 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.917 5.673 -2.089 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.699 6.403 -0.759 1.00 0.00 C ATOM 1147 CE LYS A 74 -15.016 6.433 0.021 1.00 0.00 C ATOM 1148 NZ LYS A 74 -15.950 7.434 -0.571 1.00 0.00 N ATOM 0 H LYS A 74 -10.932 5.915 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.506 3.947 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.791 5.870 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.783 6.978 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.846 6.006 -2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.013 4.601 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.929 5.899 -0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.347 7.418 -0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.476 5.445 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.822 6.680 1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.683 7.679 0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.421 8.290 -0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.399 7.031 -1.419 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.349 5.784 -5.804 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.688 5.836 -6.457 1.00 0.00 C ATOM 1164 C GLY A 75 -16.687 6.578 -5.569 1.00 0.00 C ATOM 1165 O GLY A 75 -17.150 7.612 -6.021 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.931 6.068 -4.487 1.00 0.00 O ATOM 0 H GLY A 75 -13.652 6.426 -6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.609 6.336 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.045 4.824 -6.650 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -2.735 -5.769 -3.950 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 7.757 4.343 -4.430 1.00 0.00 ZN