USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -156:sc= -0.55 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -5.78! C(o=-13!,f=-17!) USER MOD Set 1.3: A 34 CYS SG : rot 171:sc= -2.66 USER MOD Set 1.4: A 37 CYS SG : rot -32:sc= -3.98! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.052 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00724 USER MOD Single : A 17 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.35) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.015 USER MOD Single : A 54 THR OG1 : rot 158:sc= 1.9 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -22.494 -1.025 -17.152 1.00 0.00 N ATOM 2 CA ALA A 2 -23.119 -0.041 -18.072 1.00 0.00 C ATOM 3 C ALA A 2 -22.876 -0.422 -19.529 1.00 0.00 C ATOM 4 O ALA A 2 -22.077 -1.311 -19.822 1.00 0.00 O ATOM 5 CB ALA A 2 -22.581 1.355 -17.796 1.00 0.00 C ATOM 0 HA ALA A 2 -24.194 -0.047 -17.894 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -23.048 2.066 -18.478 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -22.808 1.636 -16.767 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.501 1.365 -17.945 1.00 0.00 H new ATOM 10 N SER A 3 -23.570 0.257 -20.436 1.00 0.00 N ATOM 11 CA SER A 3 -23.429 -0.012 -21.863 1.00 0.00 C ATOM 12 C SER A 3 -22.266 0.779 -22.452 1.00 0.00 C ATOM 13 O SER A 3 -21.585 0.314 -23.367 1.00 0.00 O ATOM 14 CB SER A 3 -24.724 0.340 -22.599 1.00 0.00 C ATOM 15 OG SER A 3 -25.850 0.183 -21.754 1.00 0.00 O ATOM 0 H SER A 3 -24.235 0.997 -20.209 1.00 0.00 H new ATOM 0 HA SER A 3 -23.224 -1.075 -21.989 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.675 1.368 -22.957 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.832 -0.298 -23.476 1.00 0.00 H new ATOM 0 HG SER A 3 -26.664 0.416 -22.247 1.00 0.00 H new ATOM 21 N THR A 4 -22.043 1.978 -21.921 1.00 0.00 N ATOM 22 CA THR A 4 -20.961 2.834 -22.393 1.00 0.00 C ATOM 23 C THR A 4 -19.603 2.209 -22.094 1.00 0.00 C ATOM 24 O THR A 4 -18.699 2.235 -22.931 1.00 0.00 O ATOM 25 CB THR A 4 -21.055 4.215 -21.741 1.00 0.00 C ATOM 26 OG1 THR A 4 -20.776 4.134 -20.354 1.00 0.00 O ATOM 27 CG2 THR A 4 -22.414 4.861 -21.898 1.00 0.00 C ATOM 0 H THR A 4 -22.597 2.378 -21.164 1.00 0.00 H new ATOM 0 HA THR A 4 -21.061 2.942 -23.473 1.00 0.00 H new ATOM 0 HB THR A 4 -20.318 4.829 -22.258 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.839 5.027 -19.955 1.00 0.00 H new ATOM 0 HG21 THR A 4 -22.411 5.837 -21.413 1.00 0.00 H new ATOM 0 HG22 THR A 4 -22.639 4.983 -22.958 1.00 0.00 H new ATOM 0 HG23 THR A 4 -23.173 4.229 -21.437 1.00 0.00 H new ATOM 35 N SER A 5 -19.465 1.649 -20.898 1.00 0.00 N ATOM 36 CA SER A 5 -18.216 1.017 -20.487 1.00 0.00 C ATOM 37 C SER A 5 -18.370 -0.499 -20.419 1.00 0.00 C ATOM 38 O SER A 5 -19.467 -1.031 -20.587 1.00 0.00 O ATOM 39 CB SER A 5 -17.768 1.559 -19.128 1.00 0.00 C ATOM 40 OG SER A 5 -16.355 1.640 -19.051 1.00 0.00 O ATOM 0 H SER A 5 -20.203 1.619 -20.195 1.00 0.00 H new ATOM 0 HA SER A 5 -17.456 1.253 -21.232 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.201 2.546 -18.966 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.142 0.913 -18.334 1.00 0.00 H new ATOM 0 HG SER A 5 -16.095 1.991 -18.174 1.00 0.00 H new ATOM 46 N ARG A 6 -17.262 -1.191 -20.173 1.00 0.00 N ATOM 47 CA ARG A 6 -17.273 -2.646 -20.083 1.00 0.00 C ATOM 48 C ARG A 6 -17.595 -3.104 -18.664 1.00 0.00 C ATOM 49 O ARG A 6 -18.701 -3.568 -18.387 1.00 0.00 O ATOM 50 CB ARG A 6 -15.922 -3.217 -20.520 1.00 0.00 C ATOM 51 CG ARG A 6 -15.653 -3.074 -22.009 1.00 0.00 C ATOM 52 CD ARG A 6 -14.283 -3.620 -22.384 1.00 0.00 C ATOM 53 NE ARG A 6 -14.371 -4.671 -23.395 1.00 0.00 N ATOM 54 CZ ARG A 6 -14.541 -4.437 -24.694 1.00 0.00 C ATOM 55 NH1 ARG A 6 -14.644 -3.193 -25.144 1.00 0.00 N ATOM 56 NH2 ARG A 6 -14.611 -5.452 -25.546 1.00 0.00 N ATOM 0 H ARG A 6 -16.345 -0.767 -20.032 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.051 -3.018 -20.750 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.129 -2.715 -19.966 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.879 -4.273 -20.251 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -16.423 -3.603 -22.571 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.717 -2.023 -22.292 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.659 -2.808 -22.758 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.793 -4.014 -21.493 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.298 -5.641 -23.087 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.593 -2.409 -24.493 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.774 -3.020 -26.141 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.535 -6.410 -25.205 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -14.741 -5.274 -26.542 1.00 0.00 H new ATOM 70 N LEU A 7 -16.622 -2.970 -17.770 1.00 0.00 N ATOM 71 CA LEU A 7 -16.799 -3.372 -16.379 1.00 0.00 C ATOM 72 C LEU A 7 -15.556 -3.044 -15.557 1.00 0.00 C ATOM 73 O LEU A 7 -14.472 -2.837 -16.106 1.00 0.00 O ATOM 74 CB LEU A 7 -17.103 -4.870 -16.296 1.00 0.00 C ATOM 75 CG LEU A 7 -18.539 -5.220 -15.896 1.00 0.00 C ATOM 76 CD1 LEU A 7 -18.824 -6.687 -16.170 1.00 0.00 C ATOM 77 CD2 LEU A 7 -18.778 -4.892 -14.429 1.00 0.00 C ATOM 0 H LEU A 7 -15.702 -2.586 -17.984 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.641 -2.815 -15.967 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.892 -5.322 -17.265 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.421 -5.324 -15.577 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.222 -4.620 -16.497 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.849 -6.919 -15.880 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -18.693 -6.891 -17.233 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.135 -7.305 -15.594 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.803 -5.147 -14.162 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.088 -5.466 -13.811 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.614 -3.827 -14.263 1.00 0.00 H new ATOM 89 N ASP A 8 -15.719 -3.002 -14.239 1.00 0.00 N ATOM 90 CA ASP A 8 -14.610 -2.705 -13.340 1.00 0.00 C ATOM 91 C ASP A 8 -13.874 -3.983 -12.948 1.00 0.00 C ATOM 92 O ASP A 8 -14.422 -4.836 -12.250 1.00 0.00 O ATOM 93 CB ASP A 8 -15.119 -1.993 -12.086 1.00 0.00 C ATOM 94 CG ASP A 8 -16.233 -2.758 -11.399 1.00 0.00 C ATOM 95 OD1 ASP A 8 -17.409 -2.554 -11.770 1.00 0.00 O ATOM 96 OD2 ASP A 8 -15.932 -3.560 -10.491 1.00 0.00 O ATOM 0 H ASP A 8 -16.609 -3.170 -13.769 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.914 -2.050 -13.864 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.293 -1.856 -11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.477 -0.999 -12.356 1.00 0.00 H new ATOM 101 N ALA A 9 -12.633 -4.111 -13.407 1.00 0.00 N ATOM 102 CA ALA A 9 -11.829 -5.289 -13.105 1.00 0.00 C ATOM 103 C ALA A 9 -10.340 -5.001 -13.274 1.00 0.00 C ATOM 104 O ALA A 9 -9.842 -4.902 -14.396 1.00 0.00 O ATOM 105 CB ALA A 9 -12.248 -6.451 -13.990 1.00 0.00 C ATOM 0 H ALA A 9 -12.164 -3.416 -13.988 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.001 -5.558 -12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.640 -7.325 -13.755 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.299 -6.682 -13.814 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.106 -6.181 -15.036 1.00 0.00 H new ATOM 111 N LEU A 10 -9.637 -4.874 -12.154 1.00 0.00 N ATOM 112 CA LEU A 10 -8.204 -4.604 -12.176 1.00 0.00 C ATOM 113 C LEU A 10 -7.628 -4.616 -10.761 1.00 0.00 C ATOM 114 O LEU A 10 -6.771 -5.438 -10.440 1.00 0.00 O ATOM 115 CB LEU A 10 -7.924 -3.261 -12.853 1.00 0.00 C ATOM 116 CG LEU A 10 -7.274 -3.356 -14.235 1.00 0.00 C ATOM 117 CD1 LEU A 10 -7.399 -2.034 -14.975 1.00 0.00 C ATOM 118 CD2 LEU A 10 -5.815 -3.763 -14.108 1.00 0.00 C ATOM 0 H LEU A 10 -10.036 -4.954 -11.219 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.718 -5.393 -12.750 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.863 -2.716 -12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.277 -2.672 -12.203 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.796 -4.121 -14.811 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.931 -2.120 -15.956 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.453 -1.783 -15.096 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.903 -1.249 -14.404 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.367 -3.826 -15.100 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.281 -3.021 -13.515 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.750 -4.734 -13.618 1.00 0.00 H new ATOM 130 N PRO A 11 -8.096 -3.702 -9.891 1.00 0.00 N ATOM 131 CA PRO A 11 -7.622 -3.619 -8.509 1.00 0.00 C ATOM 132 C PRO A 11 -8.270 -4.671 -7.615 1.00 0.00 C ATOM 133 O PRO A 11 -9.270 -5.284 -7.987 1.00 0.00 O ATOM 134 CB PRO A 11 -8.059 -2.219 -8.084 1.00 0.00 C ATOM 135 CG PRO A 11 -9.300 -1.965 -8.867 1.00 0.00 C ATOM 136 CD PRO A 11 -9.123 -2.680 -10.182 1.00 0.00 C ATOM 0 HA PRO A 11 -6.550 -3.795 -8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.249 -2.170 -7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.291 -1.478 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.177 -2.337 -8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.450 -0.897 -9.022 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.055 -3.134 -10.519 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.798 -1.998 -10.968 1.00 0.00 H new ATOM 144 N ARG A 12 -7.693 -4.875 -6.435 1.00 0.00 N ATOM 145 CA ARG A 12 -8.221 -5.853 -5.492 1.00 0.00 C ATOM 146 C ARG A 12 -7.443 -5.821 -4.179 1.00 0.00 C ATOM 147 O ARG A 12 -6.227 -5.624 -4.170 1.00 0.00 O ATOM 148 CB ARG A 12 -8.175 -7.260 -6.098 1.00 0.00 C ATOM 149 CG ARG A 12 -6.770 -7.826 -6.240 1.00 0.00 C ATOM 150 CD ARG A 12 -6.086 -7.317 -7.499 1.00 0.00 C ATOM 151 NE ARG A 12 -5.110 -8.274 -8.014 1.00 0.00 N ATOM 152 CZ ARG A 12 -4.114 -7.950 -8.837 1.00 0.00 C ATOM 153 NH1 ARG A 12 -3.958 -6.695 -9.240 1.00 0.00 N ATOM 154 NH2 ARG A 12 -3.271 -8.883 -9.257 1.00 0.00 N ATOM 0 H ARG A 12 -6.863 -4.378 -6.110 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.259 -5.593 -5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.765 -7.932 -5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.648 -7.237 -7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.177 -7.553 -5.367 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.817 -8.915 -6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.836 -7.117 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.589 -6.371 -7.285 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.196 -9.249 -7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.603 -5.973 -8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.193 -6.453 -9.870 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.385 -9.849 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.508 -8.635 -9.887 1.00 0.00 H new ATOM 168 N VAL A 13 -8.152 -6.019 -3.074 1.00 0.00 N ATOM 169 CA VAL A 13 -7.528 -6.019 -1.756 1.00 0.00 C ATOM 170 C VAL A 13 -7.275 -7.442 -1.273 1.00 0.00 C ATOM 171 O VAL A 13 -7.289 -7.714 -0.072 1.00 0.00 O ATOM 172 CB VAL A 13 -8.400 -5.284 -0.720 1.00 0.00 C ATOM 173 CG1 VAL A 13 -7.625 -5.063 0.571 1.00 0.00 C ATOM 174 CG2 VAL A 13 -8.901 -3.962 -1.283 1.00 0.00 C ATOM 0 H VAL A 13 -9.159 -6.182 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.578 -5.495 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.266 -5.907 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.257 -4.543 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.323 -6.026 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.739 -4.462 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.515 -3.458 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.051 -3.330 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.497 -4.149 -2.176 1.00 0.00 H new ATOM 184 N THR A 14 -7.043 -8.347 -2.216 1.00 0.00 N ATOM 185 CA THR A 14 -6.785 -9.745 -1.891 1.00 0.00 C ATOM 186 C THR A 14 -6.182 -10.478 -3.087 1.00 0.00 C ATOM 187 O THR A 14 -6.161 -9.955 -4.201 1.00 0.00 O ATOM 188 CB THR A 14 -8.078 -10.435 -1.451 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.211 -9.719 -1.911 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.202 -10.571 0.052 1.00 0.00 C ATOM 0 H THR A 14 -7.028 -8.137 -3.214 1.00 0.00 H new ATOM 0 HA THR A 14 -6.069 -9.777 -1.070 1.00 0.00 H new ATOM 0 HB THR A 14 -8.036 -11.432 -1.889 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.027 -10.177 -1.621 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.141 -11.068 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.369 -11.161 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.186 -9.582 0.509 1.00 0.00 H new ATOM 198 N CYS A 15 -5.699 -11.691 -2.845 1.00 0.00 N ATOM 199 CA CYS A 15 -5.098 -12.500 -3.900 1.00 0.00 C ATOM 200 C CYS A 15 -6.172 -13.143 -4.771 1.00 0.00 C ATOM 201 O CYS A 15 -7.147 -13.691 -4.257 1.00 0.00 O ATOM 202 CB CYS A 15 -4.221 -13.593 -3.289 1.00 0.00 C ATOM 203 SG CYS A 15 -3.143 -14.432 -4.474 1.00 0.00 S ATOM 0 H CYS A 15 -5.712 -12.137 -1.928 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.487 -11.845 -4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.606 -13.152 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.863 -14.334 -2.812 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.837 -15.612 -4.022 1.00 0.00 H new ATOM 209 N PRO A 16 -6.008 -13.100 -6.105 1.00 0.00 N ATOM 210 CA PRO A 16 -6.975 -13.697 -7.026 1.00 0.00 C ATOM 211 C PRO A 16 -7.043 -15.216 -6.880 1.00 0.00 C ATOM 212 O PRO A 16 -8.014 -15.847 -7.299 1.00 0.00 O ATOM 213 CB PRO A 16 -6.442 -13.316 -8.411 1.00 0.00 C ATOM 214 CG PRO A 16 -4.990 -13.048 -8.201 1.00 0.00 C ATOM 215 CD PRO A 16 -4.875 -12.480 -6.815 1.00 0.00 C ATOM 0 HA PRO A 16 -7.988 -13.342 -6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.596 -14.122 -9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.954 -12.437 -8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.405 -13.963 -8.298 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.610 -12.346 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.921 -12.735 -6.353 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.947 -11.392 -6.818 1.00 0.00 H new ATOM 223 N ASN A 17 -6.006 -15.798 -6.280 1.00 0.00 N ATOM 224 CA ASN A 17 -5.951 -17.242 -6.078 1.00 0.00 C ATOM 225 C ASN A 17 -5.915 -17.595 -4.591 1.00 0.00 C ATOM 226 O ASN A 17 -6.057 -18.759 -4.217 1.00 0.00 O ATOM 227 CB ASN A 17 -4.727 -17.827 -6.785 1.00 0.00 C ATOM 228 CG ASN A 17 -5.086 -18.516 -8.088 1.00 0.00 C ATOM 229 OD1 ASN A 17 -6.015 -18.106 -8.784 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.349 -19.570 -8.425 1.00 0.00 N ATOM 0 H ASN A 17 -5.194 -15.291 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.855 -17.675 -6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.010 -17.030 -6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.235 -18.540 -6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.544 -20.073 -9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.588 -19.875 -7.818 1.00 0.00 H new ATOM 237 N HIS A 18 -5.745 -16.584 -3.740 1.00 0.00 N ATOM 238 CA HIS A 18 -5.713 -16.801 -2.299 1.00 0.00 C ATOM 239 C HIS A 18 -6.647 -15.823 -1.592 1.00 0.00 C ATOM 240 O HIS A 18 -6.231 -14.738 -1.184 1.00 0.00 O ATOM 241 CB HIS A 18 -4.299 -16.642 -1.742 1.00 0.00 C ATOM 242 CG HIS A 18 -3.312 -17.659 -2.228 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.123 -17.317 -2.838 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.311 -19.012 -2.145 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.432 -18.408 -3.104 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.132 -19.452 -2.696 1.00 0.00 N ATOM 0 H HIS A 18 -5.628 -15.611 -4.024 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.046 -17.822 -2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.932 -15.649 -2.000 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.345 -16.692 -0.654 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.091 -19.629 -1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.461 -18.443 -3.575 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.844 -20.427 -2.777 1.00 0.00 H new ATOM 255 N PRO A 19 -7.927 -16.191 -1.432 1.00 0.00 N ATOM 256 CA PRO A 19 -8.913 -15.335 -0.768 1.00 0.00 C ATOM 257 C PRO A 19 -8.528 -15.033 0.676 1.00 0.00 C ATOM 258 O PRO A 19 -8.794 -13.943 1.184 1.00 0.00 O ATOM 259 CB PRO A 19 -10.208 -16.154 -0.822 1.00 0.00 C ATOM 260 CG PRO A 19 -9.774 -17.559 -1.070 1.00 0.00 C ATOM 261 CD PRO A 19 -8.512 -17.466 -1.878 1.00 0.00 C ATOM 0 HA PRO A 19 -8.999 -14.362 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.764 -16.073 0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.865 -15.799 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.598 -18.085 -0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.542 -18.115 -1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.845 -18.306 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.717 -17.463 -2.948 1.00 0.00 H new ATOM 269 N ASP A 20 -7.903 -16.004 1.330 1.00 0.00 N ATOM 270 CA ASP A 20 -7.483 -15.846 2.717 1.00 0.00 C ATOM 271 C ASP A 20 -6.140 -15.122 2.814 1.00 0.00 C ATOM 272 O ASP A 20 -5.842 -14.486 3.824 1.00 0.00 O ATOM 273 CB ASP A 20 -7.389 -17.215 3.397 1.00 0.00 C ATOM 274 CG ASP A 20 -8.261 -17.305 4.636 1.00 0.00 C ATOM 275 OD1 ASP A 20 -8.135 -16.427 5.515 1.00 0.00 O ATOM 276 OD2 ASP A 20 -9.067 -18.255 4.726 1.00 0.00 O ATOM 0 H ASP A 20 -7.675 -16.911 0.922 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.231 -15.239 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.685 -17.990 2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.352 -17.412 3.670 1.00 0.00 H new ATOM 281 N ALA A 21 -5.333 -15.226 1.761 1.00 0.00 N ATOM 282 CA ALA A 21 -4.023 -14.582 1.738 1.00 0.00 C ATOM 283 C ALA A 21 -4.141 -13.101 1.394 1.00 0.00 C ATOM 284 O ALA A 21 -4.094 -12.710 0.225 1.00 0.00 O ATOM 285 CB ALA A 21 -3.112 -15.291 0.758 1.00 0.00 C ATOM 0 H ALA A 21 -5.562 -15.748 0.915 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.589 -14.654 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.137 -14.803 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.993 -16.332 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.548 -15.249 -0.240 1.00 0.00 H new ATOM 291 N ILE A 22 -4.337 -12.305 2.435 1.00 0.00 N ATOM 292 CA ILE A 22 -4.513 -10.864 2.296 1.00 0.00 C ATOM 293 C ILE A 22 -3.221 -10.127 1.931 1.00 0.00 C ATOM 294 O ILE A 22 -2.620 -9.464 2.775 1.00 0.00 O ATOM 295 CB ILE A 22 -5.095 -10.239 3.577 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.230 -11.101 4.132 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.585 -8.831 3.286 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.331 -11.376 3.130 1.00 0.00 C ATOM 0 H ILE A 22 -4.379 -12.637 3.398 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.215 -10.743 1.471 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.310 -10.190 4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.819 -12.050 4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.659 -10.605 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.996 -8.393 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.753 -8.222 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.359 -8.866 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.100 -11.993 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.770 -10.433 2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.917 -11.901 2.269 1.00 0.00 H new ATOM 310 N LEU A 23 -2.814 -10.252 0.656 1.00 0.00 N ATOM 311 CA LEU A 23 -1.598 -9.592 0.146 1.00 0.00 C ATOM 312 C LEU A 23 -1.208 -8.429 1.040 1.00 0.00 C ATOM 313 O LEU A 23 -1.873 -7.399 1.066 1.00 0.00 O ATOM 314 CB LEU A 23 -1.803 -9.074 -1.280 1.00 0.00 C ATOM 315 CG LEU A 23 -1.380 -10.027 -2.395 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.548 -10.916 -2.784 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.861 -9.247 -3.597 1.00 0.00 C ATOM 0 H LEU A 23 -3.310 -10.805 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.802 -10.337 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.858 -8.834 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.248 -8.143 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.569 -10.660 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.240 -11.594 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.869 -11.495 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.375 -10.298 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.564 -9.943 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.647 -8.591 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.000 -8.648 -3.298 1.00 0.00 H new ATOM 329 N VAL A 24 -0.149 -8.608 1.791 1.00 0.00 N ATOM 330 CA VAL A 24 0.306 -7.582 2.704 1.00 0.00 C ATOM 331 C VAL A 24 0.991 -6.445 1.957 1.00 0.00 C ATOM 332 O VAL A 24 1.270 -6.551 0.767 1.00 0.00 O ATOM 333 CB VAL A 24 1.227 -8.190 3.768 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.374 -7.259 4.961 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.668 -9.543 4.190 1.00 0.00 C ATOM 0 H VAL A 24 0.417 -9.456 1.790 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.562 -7.158 3.208 1.00 0.00 H new ATOM 0 HB VAL A 24 2.223 -8.328 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.032 -7.716 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.800 -6.311 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.395 -7.082 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.316 -9.984 4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.333 -9.411 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.620 -10.203 3.324 1.00 0.00 H new ATOM 345 N GLU A 25 1.222 -5.349 2.661 1.00 0.00 N ATOM 346 CA GLU A 25 1.824 -4.187 2.080 1.00 0.00 C ATOM 347 C GLU A 25 3.322 -4.309 2.082 1.00 0.00 C ATOM 348 O GLU A 25 3.941 -4.747 3.053 1.00 0.00 O ATOM 349 CB GLU A 25 1.385 -2.925 2.822 1.00 0.00 C ATOM 350 CG GLU A 25 0.248 -2.190 2.131 1.00 0.00 C ATOM 351 CD GLU A 25 0.740 -1.191 1.102 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.638 -1.549 0.311 1.00 0.00 O ATOM 353 OE2 GLU A 25 0.228 -0.053 1.087 1.00 0.00 O ATOM 0 H GLU A 25 0.993 -5.252 3.650 1.00 0.00 H new ATOM 0 HA GLU A 25 1.489 -4.109 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.075 -3.194 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.238 -2.253 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.406 -2.914 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.351 -1.671 2.879 1.00 0.00 H new ATOM 360 N ASP A 26 3.889 -3.891 0.984 1.00 0.00 N ATOM 361 CA ASP A 26 5.309 -3.894 0.787 1.00 0.00 C ATOM 362 C ASP A 26 5.966 -5.265 0.937 1.00 0.00 C ATOM 363 O ASP A 26 6.358 -5.660 2.034 1.00 0.00 O ATOM 364 CB ASP A 26 5.978 -2.880 1.712 1.00 0.00 C ATOM 365 CG ASP A 26 6.546 -1.692 0.961 1.00 0.00 C ATOM 366 OD1 ASP A 26 5.750 -0.854 0.487 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.785 -1.598 0.849 1.00 0.00 O ATOM 0 H ASP A 26 3.365 -3.532 0.186 1.00 0.00 H new ATOM 0 HA ASP A 26 5.460 -3.608 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.252 -2.528 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.778 -3.371 2.266 1.00 0.00 H new ATOM 372 N TYR A 27 6.119 -5.968 -0.186 1.00 0.00 N ATOM 373 CA TYR A 27 6.770 -7.271 -0.189 1.00 0.00 C ATOM 374 C TYR A 27 8.232 -7.105 0.190 1.00 0.00 C ATOM 375 O TYR A 27 9.040 -6.632 -0.608 1.00 0.00 O ATOM 376 CB TYR A 27 6.640 -7.941 -1.571 1.00 0.00 C ATOM 377 CG TYR A 27 7.932 -8.057 -2.357 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.879 -9.023 -2.037 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.202 -7.200 -3.418 1.00 0.00 C ATOM 380 CE1 TYR A 27 10.057 -9.131 -2.751 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.378 -7.302 -4.136 1.00 0.00 C ATOM 382 CZ TYR A 27 10.301 -8.269 -3.799 1.00 0.00 C ATOM 383 OH TYR A 27 11.474 -8.373 -4.512 1.00 0.00 O ATOM 0 H TYR A 27 5.800 -5.654 -1.103 1.00 0.00 H new ATOM 0 HA TYR A 27 6.282 -7.916 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.225 -8.940 -1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.922 -7.376 -2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.691 -9.700 -1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.481 -6.442 -3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.783 -9.887 -2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.573 -6.628 -4.957 1.00 0.00 H new ATOM 0 HH TYR A 27 11.490 -7.693 -5.217 1.00 0.00 H new ATOM 393 N ARG A 28 8.571 -7.471 1.421 1.00 0.00 N ATOM 394 CA ARG A 28 9.942 -7.339 1.892 1.00 0.00 C ATOM 395 C ARG A 28 10.500 -5.967 1.514 1.00 0.00 C ATOM 396 O ARG A 28 11.676 -5.834 1.172 1.00 0.00 O ATOM 397 CB ARG A 28 10.810 -8.446 1.286 1.00 0.00 C ATOM 398 CG ARG A 28 11.543 -9.289 2.323 1.00 0.00 C ATOM 399 CD ARG A 28 12.161 -8.431 3.419 1.00 0.00 C ATOM 400 NE ARG A 28 13.440 -8.967 3.883 1.00 0.00 N ATOM 401 CZ ARG A 28 14.617 -8.669 3.335 1.00 0.00 C ATOM 402 NH1 ARG A 28 14.686 -7.853 2.289 1.00 0.00 N ATOM 403 NH2 ARG A 28 15.729 -9.191 3.833 1.00 0.00 N ATOM 0 H ARG A 28 7.921 -7.858 2.105 1.00 0.00 H new ATOM 0 HA ARG A 28 9.953 -7.434 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.181 -9.098 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.541 -7.995 0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.849 -10.002 2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.324 -9.869 1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.307 -7.417 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.470 -8.365 4.259 1.00 0.00 H new ATOM 0 HE ARG A 28 13.430 -9.609 4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.834 -7.450 1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.591 -7.630 1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.683 -9.820 4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.631 -8.964 3.414 1.00 0.00 H new ATOM 417 N ALA A 29 9.627 -4.959 1.562 1.00 0.00 N ATOM 418 CA ALA A 29 9.979 -3.580 1.213 1.00 0.00 C ATOM 419 C ALA A 29 9.668 -3.302 -0.254 1.00 0.00 C ATOM 420 O ALA A 29 10.418 -2.608 -0.940 1.00 0.00 O ATOM 421 CB ALA A 29 11.444 -3.282 1.515 1.00 0.00 C ATOM 0 H ALA A 29 8.654 -5.075 1.844 1.00 0.00 H new ATOM 0 HA ALA A 29 9.372 -2.918 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.669 -2.251 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.633 -3.427 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.079 -3.955 0.939 1.00 0.00 H new ATOM 427 N GLY A 30 8.550 -3.852 -0.728 1.00 0.00 N ATOM 428 CA GLY A 30 8.149 -3.657 -2.111 1.00 0.00 C ATOM 429 C GLY A 30 6.672 -3.321 -2.250 1.00 0.00 C ATOM 430 O GLY A 30 6.184 -2.378 -1.629 1.00 0.00 O ATOM 0 H GLY A 30 7.915 -4.430 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.743 -2.854 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.367 -4.561 -2.680 1.00 0.00 H new ATOM 434 N ASP A 31 5.970 -4.087 -3.080 1.00 0.00 N ATOM 435 CA ASP A 31 4.540 -3.875 -3.312 1.00 0.00 C ATOM 436 C ASP A 31 3.699 -4.774 -2.405 1.00 0.00 C ATOM 437 O ASP A 31 4.059 -5.016 -1.259 1.00 0.00 O ATOM 438 CB ASP A 31 4.206 -4.099 -4.792 1.00 0.00 C ATOM 439 CG ASP A 31 5.294 -3.585 -5.718 1.00 0.00 C ATOM 440 OD1 ASP A 31 5.236 -2.398 -6.101 1.00 0.00 O ATOM 441 OD2 ASP A 31 6.207 -4.367 -6.056 1.00 0.00 O ATOM 0 H ASP A 31 6.368 -4.864 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 31 4.295 -2.843 -3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.055 -5.164 -4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.266 -3.600 -5.029 1.00 0.00 H new ATOM 446 N MET A 32 2.573 -5.258 -2.913 1.00 0.00 N ATOM 447 CA MET A 32 1.681 -6.108 -2.140 1.00 0.00 C ATOM 448 C MET A 32 2.092 -7.577 -2.223 1.00 0.00 C ATOM 449 O MET A 32 2.131 -8.169 -3.294 1.00 0.00 O ATOM 450 CB MET A 32 0.271 -5.924 -2.655 1.00 0.00 C ATOM 451 CG MET A 32 -0.349 -4.595 -2.254 1.00 0.00 C ATOM 452 SD MET A 32 -2.116 -4.726 -1.925 1.00 0.00 S ATOM 453 CE MET A 32 -2.580 -2.996 -1.884 1.00 0.00 C ATOM 0 H MET A 32 2.255 -5.074 -3.865 1.00 0.00 H new ATOM 0 HA MET A 32 1.738 -5.819 -1.091 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.276 -6.001 -3.742 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.353 -6.735 -2.281 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.155 -4.217 -1.365 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.184 -3.867 -3.048 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.649 -2.911 -1.689 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.026 -2.489 -1.094 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.348 -2.534 -2.844 1.00 0.00 H new ATOM 463 N ILE A 33 2.452 -8.133 -1.084 1.00 0.00 N ATOM 464 CA ILE A 33 2.927 -9.504 -1.011 1.00 0.00 C ATOM 465 C ILE A 33 1.884 -10.460 -0.462 1.00 0.00 C ATOM 466 O ILE A 33 1.417 -10.315 0.665 1.00 0.00 O ATOM 467 CB ILE A 33 4.194 -9.529 -0.125 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.073 -10.749 -0.404 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.821 -9.458 1.345 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.524 -12.048 0.143 1.00 0.00 C ATOM 0 H ILE A 33 2.425 -7.652 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 33 3.150 -9.844 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 33 4.782 -8.648 -0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.205 -10.849 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.061 -10.576 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.727 -9.477 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.274 -8.535 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.194 -10.311 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.207 -12.862 -0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.419 -11.971 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.550 -12.248 -0.303 1.00 0.00 H new ATOM 482 N CYS A 34 1.545 -11.463 -1.261 1.00 0.00 N ATOM 483 CA CYS A 34 0.595 -12.469 -0.840 1.00 0.00 C ATOM 484 C CYS A 34 1.341 -13.555 -0.088 1.00 0.00 C ATOM 485 O CYS A 34 1.895 -14.448 -0.711 1.00 0.00 O ATOM 486 CB CYS A 34 -0.098 -13.080 -2.047 1.00 0.00 C ATOM 487 SG CYS A 34 -1.352 -14.305 -1.635 1.00 0.00 S ATOM 0 H CYS A 34 1.916 -11.597 -2.202 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.158 -12.010 -0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.562 -12.283 -2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.652 -13.545 -2.686 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.011 -14.629 -2.708 1.00 0.00 H new ATOM 493 N PRO A 35 1.364 -13.506 1.256 1.00 0.00 N ATOM 494 CA PRO A 35 2.067 -14.490 2.087 1.00 0.00 C ATOM 495 C PRO A 35 1.901 -15.929 1.612 1.00 0.00 C ATOM 496 O PRO A 35 2.643 -16.816 2.034 1.00 0.00 O ATOM 497 CB PRO A 35 1.436 -14.309 3.479 1.00 0.00 C ATOM 498 CG PRO A 35 0.343 -13.303 3.306 1.00 0.00 C ATOM 499 CD PRO A 35 0.703 -12.504 2.088 1.00 0.00 C ATOM 0 HA PRO A 35 3.144 -14.322 2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.042 -15.253 3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.175 -13.962 4.201 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.622 -13.794 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.261 -12.661 4.183 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.177 -12.084 1.600 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.364 -11.671 2.327 1.00 0.00 H new ATOM 507 N GLU A 36 0.925 -16.164 0.753 1.00 0.00 N ATOM 508 CA GLU A 36 0.660 -17.496 0.251 1.00 0.00 C ATOM 509 C GLU A 36 1.523 -17.797 -0.962 1.00 0.00 C ATOM 510 O GLU A 36 2.441 -18.607 -0.894 1.00 0.00 O ATOM 511 CB GLU A 36 -0.817 -17.625 -0.101 1.00 0.00 C ATOM 512 CG GLU A 36 -1.681 -18.098 1.053 1.00 0.00 C ATOM 513 CD GLU A 36 -1.210 -19.412 1.639 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.330 -20.058 1.030 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.724 -19.799 2.708 1.00 0.00 O ATOM 0 H GLU A 36 0.301 -15.444 0.388 1.00 0.00 H new ATOM 0 HA GLU A 36 0.908 -18.220 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.185 -16.659 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.924 -18.322 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.684 -17.338 1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.710 -18.207 0.710 1.00 0.00 H new ATOM 522 N CYS A 37 1.278 -17.095 -2.055 1.00 0.00 N ATOM 523 CA CYS A 37 2.087 -17.274 -3.254 1.00 0.00 C ATOM 524 C CYS A 37 3.235 -16.298 -3.191 1.00 0.00 C ATOM 525 O CYS A 37 4.237 -16.441 -3.884 1.00 0.00 O ATOM 526 CB CYS A 37 1.278 -17.042 -4.536 1.00 0.00 C ATOM 527 SG CYS A 37 0.196 -15.594 -4.489 1.00 0.00 S ATOM 0 H CYS A 37 0.534 -16.402 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 37 2.446 -18.303 -3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.969 -16.936 -5.372 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.672 -17.926 -4.733 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.225 -15.406 -3.273 1.00 0.00 H new ATOM 533 N GLY A 38 3.047 -15.296 -2.348 1.00 0.00 N ATOM 534 CA GLY A 38 4.020 -14.262 -2.156 1.00 0.00 C ATOM 535 C GLY A 38 4.191 -13.424 -3.395 1.00 0.00 C ATOM 536 O GLY A 38 5.287 -12.955 -3.704 1.00 0.00 O ATOM 0 H GLY A 38 2.207 -15.187 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.716 -13.626 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.976 -14.708 -1.883 1.00 0.00 H new ATOM 540 N LEU A 39 3.084 -13.232 -4.095 1.00 0.00 N ATOM 541 CA LEU A 39 3.064 -12.440 -5.307 1.00 0.00 C ATOM 542 C LEU A 39 3.164 -10.961 -4.954 1.00 0.00 C ATOM 543 O LEU A 39 2.712 -10.548 -3.887 1.00 0.00 O ATOM 544 CB LEU A 39 1.770 -12.717 -6.073 1.00 0.00 C ATOM 545 CG LEU A 39 0.595 -11.812 -5.700 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.365 -10.790 -6.789 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.666 -12.619 -5.441 1.00 0.00 C ATOM 0 H LEU A 39 2.177 -13.622 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 39 3.913 -12.708 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.967 -12.611 -7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.479 -13.754 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 39 0.844 -11.292 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.473 -10.149 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.261 -10.182 -6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.141 -11.301 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.482 -11.945 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.931 -13.177 -6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.491 -13.314 -4.620 1.00 0.00 H new ATOM 559 N VAL A 40 3.784 -10.183 -5.832 1.00 0.00 N ATOM 560 CA VAL A 40 3.972 -8.766 -5.591 1.00 0.00 C ATOM 561 C VAL A 40 3.153 -7.913 -6.554 1.00 0.00 C ATOM 562 O VAL A 40 3.420 -7.883 -7.755 1.00 0.00 O ATOM 563 CB VAL A 40 5.462 -8.398 -5.719 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.688 -6.930 -5.405 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.301 -9.279 -4.808 1.00 0.00 C ATOM 0 H VAL A 40 4.165 -10.514 -6.718 1.00 0.00 H new ATOM 0 HA VAL A 40 3.626 -8.560 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 40 5.771 -8.570 -6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.748 -6.696 -5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.115 -6.317 -6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.363 -6.722 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.352 -9.009 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.986 -9.137 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.167 -10.324 -5.088 1.00 0.00 H new ATOM 575 N VAL A 41 2.173 -7.196 -6.010 1.00 0.00 N ATOM 576 CA VAL A 41 1.336 -6.312 -6.814 1.00 0.00 C ATOM 577 C VAL A 41 1.475 -4.877 -6.328 1.00 0.00 C ATOM 578 O VAL A 41 1.433 -4.617 -5.127 1.00 0.00 O ATOM 579 CB VAL A 41 -0.164 -6.679 -6.744 1.00 0.00 C ATOM 580 CG1 VAL A 41 -1.022 -5.595 -7.382 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.440 -8.014 -7.402 1.00 0.00 C ATOM 0 H VAL A 41 1.940 -7.210 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 41 1.679 -6.424 -7.843 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.427 -6.758 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.073 -5.879 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.868 -4.653 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.740 -5.477 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.504 -8.240 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.144 -7.971 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.129 -8.794 -6.896 1.00 0.00 H new ATOM 591 N GLY A 42 1.612 -3.947 -7.259 1.00 0.00 N ATOM 592 CA GLY A 42 1.723 -2.556 -6.887 1.00 0.00 C ATOM 593 C GLY A 42 2.890 -1.866 -7.556 1.00 0.00 C ATOM 594 O GLY A 42 3.787 -2.521 -8.088 1.00 0.00 O ATOM 0 H GLY A 42 1.648 -4.131 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.800 -2.039 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.833 -2.481 -5.805 1.00 0.00 H new ATOM 598 N ASP A 43 2.882 -0.542 -7.522 1.00 0.00 N ATOM 599 CA ASP A 43 3.945 0.246 -8.121 1.00 0.00 C ATOM 600 C ASP A 43 3.730 1.730 -7.844 1.00 0.00 C ATOM 601 O ASP A 43 4.316 2.288 -6.916 1.00 0.00 O ATOM 602 CB ASP A 43 4.017 -0.018 -9.629 1.00 0.00 C ATOM 603 CG ASP A 43 5.065 0.834 -10.318 1.00 0.00 C ATOM 604 OD1 ASP A 43 6.257 0.463 -10.271 1.00 0.00 O ATOM 605 OD2 ASP A 43 4.695 1.873 -10.905 1.00 0.00 O ATOM 0 H ASP A 43 2.146 0.011 -7.083 1.00 0.00 H new ATOM 0 HA ASP A 43 4.893 -0.051 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.240 -1.071 -9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.042 0.178 -10.076 1.00 0.00 H new ATOM 610 N ARG A 44 2.883 2.369 -8.650 1.00 0.00 N ATOM 611 CA ARG A 44 2.587 3.791 -8.491 1.00 0.00 C ATOM 612 C ARG A 44 3.863 4.607 -8.293 1.00 0.00 C ATOM 613 O ARG A 44 3.848 5.652 -7.641 1.00 0.00 O ATOM 614 CB ARG A 44 1.639 4.003 -7.308 1.00 0.00 C ATOM 615 CG ARG A 44 0.204 4.287 -7.724 1.00 0.00 C ATOM 616 CD ARG A 44 -0.791 3.445 -6.936 1.00 0.00 C ATOM 617 NE ARG A 44 -1.842 2.897 -7.791 1.00 0.00 N ATOM 618 CZ ARG A 44 -3.007 2.443 -7.334 1.00 0.00 C ATOM 619 NH1 ARG A 44 -3.275 2.469 -6.035 1.00 0.00 N ATOM 620 NH2 ARG A 44 -3.908 1.959 -8.180 1.00 0.00 N ATOM 0 H ARG A 44 2.389 1.922 -9.422 1.00 0.00 H new ATOM 0 HA ARG A 44 2.105 4.137 -9.405 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.657 3.116 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.005 4.833 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.015 5.344 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.088 4.085 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.264 2.629 -6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.242 4.055 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.673 2.860 -8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.586 2.839 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.170 2.120 -5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.708 1.935 -9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.801 1.611 -7.830 1.00 0.00 H new ATOM 634 N VAL A 45 4.965 4.123 -8.858 1.00 0.00 N ATOM 635 CA VAL A 45 6.249 4.807 -8.741 1.00 0.00 C ATOM 636 C VAL A 45 6.759 5.280 -10.101 1.00 0.00 C ATOM 637 O VAL A 45 7.646 6.131 -10.177 1.00 0.00 O ATOM 638 CB VAL A 45 7.312 3.899 -8.097 1.00 0.00 C ATOM 639 CG1 VAL A 45 6.927 3.557 -6.666 1.00 0.00 C ATOM 640 CG2 VAL A 45 7.511 2.635 -8.923 1.00 0.00 C ATOM 0 H VAL A 45 4.995 3.260 -9.401 1.00 0.00 H new ATOM 0 HA VAL A 45 6.081 5.674 -8.102 1.00 0.00 H new ATOM 0 HB VAL A 45 8.258 4.440 -8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.691 2.914 -6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.845 4.474 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.969 3.037 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.266 2.007 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.570 2.088 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.839 2.904 -9.927 1.00 0.00 H new ATOM 650 N ILE A 46 6.201 4.721 -11.174 1.00 0.00 N ATOM 651 CA ILE A 46 6.607 5.087 -12.527 1.00 0.00 C ATOM 652 C ILE A 46 6.516 6.597 -12.743 1.00 0.00 C ATOM 653 O ILE A 46 5.441 7.133 -13.014 1.00 0.00 O ATOM 654 CB ILE A 46 5.745 4.366 -13.583 1.00 0.00 C ATOM 655 CG1 ILE A 46 6.216 4.721 -14.996 1.00 0.00 C ATOM 656 CG2 ILE A 46 4.275 4.719 -13.404 1.00 0.00 C ATOM 657 CD1 ILE A 46 5.531 3.921 -16.081 1.00 0.00 C ATOM 0 H ILE A 46 5.467 4.014 -11.131 1.00 0.00 H new ATOM 0 HA ILE A 46 7.645 4.775 -12.644 1.00 0.00 H new ATOM 0 HB ILE A 46 5.859 3.291 -13.444 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.040 5.782 -15.173 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.292 4.561 -15.062 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.682 4.201 -14.158 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.946 4.414 -12.411 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.143 5.795 -13.515 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.914 4.226 -17.055 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.728 2.860 -15.930 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.457 4.100 -16.042 1.00 0.00 H new ATOM 669 N ASP A 47 7.652 7.275 -12.618 1.00 0.00 N ATOM 670 CA ASP A 47 7.707 8.721 -12.800 1.00 0.00 C ATOM 671 C ASP A 47 6.839 9.435 -11.768 1.00 0.00 C ATOM 672 O ASP A 47 5.796 8.924 -11.358 1.00 0.00 O ATOM 673 CB ASP A 47 7.260 9.100 -14.212 1.00 0.00 C ATOM 674 CG ASP A 47 8.270 8.695 -15.267 1.00 0.00 C ATOM 675 OD1 ASP A 47 8.421 7.479 -15.508 1.00 0.00 O ATOM 676 OD2 ASP A 47 8.910 9.594 -15.852 1.00 0.00 O ATOM 0 H ASP A 47 8.549 6.845 -12.391 1.00 0.00 H new ATOM 0 HA ASP A 47 8.740 9.038 -12.659 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.303 8.624 -14.427 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.099 10.177 -14.262 1.00 0.00 H new ATOM 681 N VAL A 48 7.275 10.620 -11.353 1.00 0.00 N ATOM 682 CA VAL A 48 6.540 11.407 -10.371 1.00 0.00 C ATOM 683 C VAL A 48 6.057 12.721 -10.976 1.00 0.00 C ATOM 684 O VAL A 48 6.563 13.161 -12.009 1.00 0.00 O ATOM 685 CB VAL A 48 7.406 11.711 -9.134 1.00 0.00 C ATOM 686 CG1 VAL A 48 6.560 12.302 -8.017 1.00 0.00 C ATOM 687 CG2 VAL A 48 8.122 10.455 -8.660 1.00 0.00 C ATOM 0 H VAL A 48 8.136 11.057 -11.683 1.00 0.00 H new ATOM 0 HA VAL A 48 5.680 10.812 -10.064 1.00 0.00 H new ATOM 0 HB VAL A 48 8.158 12.448 -9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.191 12.509 -7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.100 13.228 -8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.782 11.593 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.729 10.690 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.387 9.694 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.764 10.080 -9.457 1.00 0.00 H new ATOM 697 N GLY A 49 5.075 13.344 -10.330 1.00 0.00 N ATOM 698 CA GLY A 49 4.539 14.603 -10.822 1.00 0.00 C ATOM 699 C GLY A 49 5.626 15.598 -11.187 1.00 0.00 C ATOM 700 O GLY A 49 6.171 16.280 -10.319 1.00 0.00 O ATOM 0 H GLY A 49 4.640 13.000 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.918 14.412 -11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.892 15.040 -10.061 1.00 0.00 H new ATOM 704 N SER A 50 5.943 15.676 -12.475 1.00 0.00 N ATOM 705 CA SER A 50 6.973 16.589 -12.955 1.00 0.00 C ATOM 706 C SER A 50 6.443 18.018 -13.047 1.00 0.00 C ATOM 707 O SER A 50 6.413 18.614 -14.125 1.00 0.00 O ATOM 708 CB SER A 50 7.488 16.134 -14.322 1.00 0.00 C ATOM 709 OG SER A 50 7.278 14.746 -14.510 1.00 0.00 O ATOM 0 H SER A 50 5.501 15.118 -13.205 1.00 0.00 H new ATOM 0 HA SER A 50 7.795 16.575 -12.239 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.981 16.692 -15.109 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.551 16.359 -14.407 1.00 0.00 H new ATOM 0 HG SER A 50 7.614 14.481 -15.391 1.00 0.00 H new ATOM 715 N GLU A 51 6.030 18.565 -11.908 1.00 0.00 N ATOM 716 CA GLU A 51 5.507 19.926 -11.861 1.00 0.00 C ATOM 717 C GLU A 51 6.647 20.935 -11.776 1.00 0.00 C ATOM 718 O GLU A 51 6.911 21.502 -10.715 1.00 0.00 O ATOM 719 CB GLU A 51 4.568 20.094 -10.665 1.00 0.00 C ATOM 720 CG GLU A 51 3.710 21.348 -10.736 1.00 0.00 C ATOM 721 CD GLU A 51 4.000 22.319 -9.609 1.00 0.00 C ATOM 722 OE1 GLU A 51 3.558 22.059 -8.471 1.00 0.00 O ATOM 723 OE2 GLU A 51 4.671 23.342 -9.866 1.00 0.00 O ATOM 0 H GLU A 51 6.047 18.088 -11.007 1.00 0.00 H new ATOM 0 HA GLU A 51 4.947 20.110 -12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.917 19.222 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.160 20.120 -9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.879 21.845 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.658 21.066 -10.705 1.00 0.00 H new ATOM 730 N TRP A 52 7.324 21.151 -12.902 1.00 0.00 N ATOM 731 CA TRP A 52 8.446 22.088 -12.966 1.00 0.00 C ATOM 732 C TRP A 52 9.697 21.488 -12.331 1.00 0.00 C ATOM 733 O TRP A 52 10.738 21.374 -12.979 1.00 0.00 O ATOM 734 CB TRP A 52 8.090 23.408 -12.276 1.00 0.00 C ATOM 735 CG TRP A 52 8.914 24.566 -12.751 1.00 0.00 C ATOM 736 CD1 TRP A 52 9.354 24.791 -14.023 1.00 0.00 C ATOM 737 CD2 TRP A 52 9.400 25.657 -11.960 1.00 0.00 C ATOM 738 NE1 TRP A 52 10.083 25.955 -14.072 1.00 0.00 N ATOM 739 CE2 TRP A 52 10.126 26.504 -12.818 1.00 0.00 C ATOM 740 CE3 TRP A 52 9.291 26.000 -10.609 1.00 0.00 C ATOM 741 CZ2 TRP A 52 10.737 27.673 -12.368 1.00 0.00 C ATOM 742 CZ3 TRP A 52 9.900 27.158 -10.164 1.00 0.00 C ATOM 743 CH2 TRP A 52 10.614 27.982 -11.042 1.00 0.00 C ATOM 0 H TRP A 52 7.115 20.688 -13.786 1.00 0.00 H new ATOM 0 HA TRP A 52 8.653 22.286 -14.018 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.036 23.627 -12.447 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.222 23.295 -11.200 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.158 24.148 -14.868 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.521 26.346 -14.906 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.741 25.371 -9.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.288 28.312 -13.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.824 27.432 -9.122 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.078 28.881 -10.664 1.00 0.00 H new ATOM 754 N ARG A 53 9.592 21.106 -11.060 1.00 0.00 N ATOM 755 CA ARG A 53 10.716 20.518 -10.337 1.00 0.00 C ATOM 756 C ARG A 53 11.750 21.582 -9.985 1.00 0.00 C ATOM 757 O ARG A 53 12.759 21.737 -10.674 1.00 0.00 O ATOM 758 CB ARG A 53 11.365 19.402 -11.163 1.00 0.00 C ATOM 759 CG ARG A 53 11.663 18.146 -10.360 1.00 0.00 C ATOM 760 CD ARG A 53 13.082 17.652 -10.594 1.00 0.00 C ATOM 761 NE ARG A 53 13.197 16.207 -10.417 1.00 0.00 N ATOM 762 CZ ARG A 53 14.348 15.574 -10.204 1.00 0.00 C ATOM 763 NH1 ARG A 53 15.486 16.255 -10.141 1.00 0.00 N ATOM 764 NH2 ARG A 53 14.364 14.257 -10.052 1.00 0.00 N ATOM 0 H ARG A 53 8.738 21.194 -10.509 1.00 0.00 H new ATOM 0 HA ARG A 53 10.334 20.089 -9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.706 19.145 -11.993 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.293 19.775 -11.597 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.519 18.350 -9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.955 17.363 -10.633 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.397 17.919 -11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.759 18.156 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 53 12.344 15.649 -10.459 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.481 17.268 -10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.365 15.765 -9.977 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.493 13.728 -10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.247 13.773 -9.889 1.00 0.00 H new ATOM 778 N THR A 54 11.491 22.315 -8.907 1.00 0.00 N ATOM 779 CA THR A 54 12.396 23.367 -8.460 1.00 0.00 C ATOM 780 C THR A 54 12.431 23.442 -6.937 1.00 0.00 C ATOM 781 O THR A 54 11.448 23.823 -6.302 1.00 0.00 O ATOM 782 CB THR A 54 11.970 24.716 -9.041 1.00 0.00 C ATOM 783 OG1 THR A 54 11.708 24.605 -10.428 1.00 0.00 O ATOM 784 CG2 THR A 54 13.006 25.802 -8.854 1.00 0.00 C ATOM 0 H THR A 54 10.660 22.199 -8.326 1.00 0.00 H new ATOM 0 HA THR A 54 13.398 23.127 -8.817 1.00 0.00 H new ATOM 0 HB THR A 54 11.071 24.996 -8.491 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.120 25.337 -10.709 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.640 26.732 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.193 25.947 -7.790 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.933 25.510 -9.348 1.00 0.00 H new ATOM 792 N PHE A 55 13.570 23.076 -6.358 1.00 0.00 N ATOM 793 CA PHE A 55 13.734 23.100 -4.909 1.00 0.00 C ATOM 794 C PHE A 55 14.643 24.248 -4.482 1.00 0.00 C ATOM 795 O PHE A 55 15.862 24.179 -4.640 1.00 0.00 O ATOM 796 CB PHE A 55 14.305 21.770 -4.412 1.00 0.00 C ATOM 797 CG PHE A 55 15.369 21.198 -5.308 1.00 0.00 C ATOM 798 CD1 PHE A 55 16.698 21.553 -5.142 1.00 0.00 C ATOM 799 CD2 PHE A 55 15.038 20.307 -6.316 1.00 0.00 C ATOM 800 CE1 PHE A 55 17.677 21.030 -5.963 1.00 0.00 C ATOM 801 CE2 PHE A 55 16.013 19.781 -7.141 1.00 0.00 C ATOM 802 CZ PHE A 55 17.335 20.142 -6.965 1.00 0.00 C ATOM 0 H PHE A 55 14.393 22.759 -6.870 1.00 0.00 H new ATOM 0 HA PHE A 55 12.751 23.252 -4.463 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.720 21.913 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 55 13.494 21.048 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.971 22.247 -4.361 1.00 0.00 H new ATOM 0 HD2 PHE A 55 14.006 20.021 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.709 21.315 -5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.742 19.088 -7.923 1.00 0.00 H new ATOM 0 HZ PHE A 55 18.099 19.731 -7.609 1.00 0.00 H new ATOM 812 N SER A 56 14.041 25.302 -3.941 1.00 0.00 N ATOM 813 CA SER A 56 14.795 26.467 -3.489 1.00 0.00 C ATOM 814 C SER A 56 15.526 27.129 -4.652 1.00 0.00 C ATOM 815 O SER A 56 16.384 26.518 -5.290 1.00 0.00 O ATOM 816 CB SER A 56 15.797 26.064 -2.404 1.00 0.00 C ATOM 817 OG SER A 56 15.133 25.559 -1.259 1.00 0.00 O ATOM 0 H SER A 56 13.033 25.374 -3.805 1.00 0.00 H new ATOM 0 HA SER A 56 14.088 27.185 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.478 25.309 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.403 26.926 -2.126 1.00 0.00 H new ATOM 0 HG SER A 56 15.795 25.307 -0.582 1.00 0.00 H new ATOM 823 N ASN A 57 15.181 28.384 -4.924 1.00 0.00 N ATOM 824 CA ASN A 57 15.804 29.131 -6.010 1.00 0.00 C ATOM 825 C ASN A 57 17.123 29.749 -5.558 1.00 0.00 C ATOM 826 O ASN A 57 17.153 30.565 -4.636 1.00 0.00 O ATOM 827 CB ASN A 57 14.861 30.224 -6.513 1.00 0.00 C ATOM 828 CG ASN A 57 13.958 29.741 -7.631 1.00 0.00 C ATOM 829 OD1 ASN A 57 14.430 29.248 -8.657 1.00 0.00 O ATOM 830 ND2 ASN A 57 12.651 29.879 -7.440 1.00 0.00 N ATOM 0 H ASN A 57 14.473 28.905 -4.407 1.00 0.00 H new ATOM 0 HA ASN A 57 16.009 28.436 -6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.249 30.581 -5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.448 31.072 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.995 29.571 -8.158 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.303 30.293 -6.575 1.00 0.00 H new ATOM 837 N ASP A 58 18.211 29.356 -6.211 1.00 0.00 N ATOM 838 CA ASP A 58 19.533 29.870 -5.875 1.00 0.00 C ATOM 839 C ASP A 58 19.933 31.001 -6.819 1.00 0.00 C ATOM 840 O ASP A 58 20.030 32.157 -6.411 1.00 0.00 O ATOM 841 CB ASP A 58 20.570 28.748 -5.935 1.00 0.00 C ATOM 842 CG ASP A 58 20.769 28.072 -4.593 1.00 0.00 C ATOM 843 OD1 ASP A 58 21.285 28.732 -3.666 1.00 0.00 O ATOM 844 OD2 ASP A 58 20.409 26.883 -4.468 1.00 0.00 O ATOM 0 H ASP A 58 18.203 28.682 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 58 19.495 30.265 -4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.256 28.006 -6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.521 29.154 -6.279 1.00 0.00 H new ATOM 849 N LYS A 59 20.164 30.656 -8.081 1.00 0.00 N ATOM 850 CA LYS A 59 20.553 31.641 -9.083 1.00 0.00 C ATOM 851 C LYS A 59 19.374 32.002 -9.980 1.00 0.00 C ATOM 852 O LYS A 59 18.254 31.521 -9.705 1.00 0.00 O ATOM 853 CB LYS A 59 21.707 31.107 -9.932 1.00 0.00 C ATOM 854 CG LYS A 59 23.078 31.352 -9.318 1.00 0.00 C ATOM 855 CD LYS A 59 23.873 30.060 -9.183 1.00 0.00 C ATOM 856 CE LYS A 59 23.849 29.536 -7.756 1.00 0.00 C ATOM 857 NZ LYS A 59 23.674 28.058 -7.711 1.00 0.00 N ATOM 0 H LYS A 59 20.089 29.702 -8.434 1.00 0.00 H new ATOM 0 HA LYS A 59 20.879 32.541 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 59 21.571 30.036 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 59 21.670 31.574 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 59 23.633 32.058 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 59 22.961 31.811 -8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 59 23.462 29.307 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 59 24.904 30.233 -9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.778 29.807 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 59 23.038 30.015 -7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.663 27.740 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.776 27.801 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 24.461 27.600 -8.213 1.00 0.00 H new TER 871 LYS A 59