USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 444 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 Single : A 1 VAL N :NH3+ -152:sc= -0.545 (180deg=-2.36) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 69:sc= 0.977 USER MOD Single : A 19 SER OG : rot 65:sc= 0.911 USER MOD Single : A 21 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.48) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.112 K(o=-0.11,f=0.87) USER MOD Single : A 30 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.57) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 40:sc= 0.0672 USER MOD Single : A 41 SER OG : rot 29:sc= 0.139 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -146:sc= 0.0479 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.151 9.279 4.138 1.00 0.00 N ATOM 2 CA VAL A 1 -7.283 10.008 4.682 1.00 0.00 C ATOM 3 C VAL A 1 -8.394 9.020 5.046 1.00 0.00 C ATOM 4 O VAL A 1 -8.445 8.525 6.171 1.00 0.00 O ATOM 5 CB VAL A 1 -7.739 11.081 3.692 1.00 0.00 C ATOM 6 CG1 VAL A 1 -8.588 12.146 4.390 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.542 11.715 2.980 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.275 9.807 4.327 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.094 8.342 4.586 1.00 0.00 H new ATOM 0 H3 VAL A 1 -6.272 9.165 3.111 1.00 0.00 H new ATOM 0 HA VAL A 1 -6.998 10.528 5.596 1.00 0.00 H new ATOM 0 HB VAL A 1 -8.360 10.598 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -8.899 12.897 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -9.469 11.679 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -8.001 12.622 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -6.894 12.474 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.883 12.176 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.994 10.947 2.434 1.00 0.00 H new ATOM 17 N THR A 2 -9.254 8.762 4.073 1.00 0.00 N ATOM 18 CA THR A 2 -10.361 7.842 4.277 1.00 0.00 C ATOM 19 C THR A 2 -10.077 6.506 3.586 1.00 0.00 C ATOM 20 O THR A 2 -9.965 5.474 4.246 1.00 0.00 O ATOM 21 CB THR A 2 -11.639 8.522 3.783 1.00 0.00 C ATOM 22 OG1 THR A 2 -11.278 9.059 2.513 1.00 0.00 O ATOM 23 CG2 THR A 2 -12.008 9.751 4.615 1.00 0.00 C ATOM 0 H THR A 2 -9.207 9.173 3.141 1.00 0.00 H new ATOM 0 HA THR A 2 -10.490 7.606 5.333 1.00 0.00 H new ATOM 0 HB THR A 2 -12.462 7.808 3.806 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.050 9.517 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.922 10.195 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.165 9.454 5.652 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.200 10.480 4.565 1.00 0.00 H new ATOM 31 N LEU A 3 -9.969 6.570 2.267 1.00 0.00 N ATOM 32 CA LEU A 3 -9.701 5.378 1.480 1.00 0.00 C ATOM 33 C LEU A 3 -8.847 5.755 0.268 1.00 0.00 C ATOM 34 O LEU A 3 -9.109 6.757 -0.394 1.00 0.00 O ATOM 35 CB LEU A 3 -11.008 4.671 1.116 1.00 0.00 C ATOM 36 CG LEU A 3 -12.200 5.580 0.812 1.00 0.00 C ATOM 37 CD1 LEU A 3 -12.935 5.117 -0.447 1.00 0.00 C ATOM 38 CD2 LEU A 3 -13.135 5.680 2.018 1.00 0.00 C ATOM 0 H LEU A 3 -10.062 7.428 1.724 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.128 4.657 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.826 4.040 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.281 4.009 1.938 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.823 6.583 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.778 5.780 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.252 5.140 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.299 4.100 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.974 6.332 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.508 4.688 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.590 6.091 2.868 1.00 0.00 H new ATOM 50 N PHE A 4 -7.841 4.929 0.014 1.00 0.00 N ATOM 51 CA PHE A 4 -6.947 5.163 -1.107 1.00 0.00 C ATOM 52 C PHE A 4 -7.333 4.295 -2.306 1.00 0.00 C ATOM 53 O PHE A 4 -8.045 3.303 -2.156 1.00 0.00 O ATOM 54 CB PHE A 4 -5.541 4.777 -0.645 1.00 0.00 C ATOM 55 CG PHE A 4 -4.708 5.954 -0.134 1.00 0.00 C ATOM 56 CD1 PHE A 4 -5.180 6.733 0.876 1.00 0.00 C ATOM 57 CD2 PHE A 4 -3.496 6.222 -0.689 1.00 0.00 C ATOM 58 CE1 PHE A 4 -4.408 7.826 1.351 1.00 0.00 C ATOM 59 CE2 PHE A 4 -2.724 7.315 -0.215 1.00 0.00 C ATOM 60 CZ PHE A 4 -3.196 8.093 0.795 1.00 0.00 C ATOM 0 H PHE A 4 -7.626 4.098 0.565 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.002 6.207 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.622 4.032 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.014 4.305 -1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.143 6.520 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.121 5.603 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.783 8.445 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.762 7.528 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.608 8.924 1.156 1.00 0.00 H new ATOM 70 N VAL A 5 -6.845 4.700 -3.471 1.00 0.00 N ATOM 71 CA VAL A 5 -7.131 3.972 -4.695 1.00 0.00 C ATOM 72 C VAL A 5 -5.817 3.499 -5.320 1.00 0.00 C ATOM 73 O VAL A 5 -4.748 4.003 -4.981 1.00 0.00 O ATOM 74 CB VAL A 5 -7.964 4.842 -5.639 1.00 0.00 C ATOM 75 CG1 VAL A 5 -8.554 4.006 -6.777 1.00 0.00 C ATOM 76 CG2 VAL A 5 -9.063 5.583 -4.876 1.00 0.00 C ATOM 0 H VAL A 5 -6.254 5.522 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.727 3.085 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.302 5.588 -6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.141 4.648 -7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.747 3.546 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.195 3.228 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.640 6.194 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.722 4.861 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.611 6.224 -4.118 1.00 0.00 H new ATOM 86 N ALA A 6 -5.940 2.537 -6.222 1.00 0.00 N ATOM 87 CA ALA A 6 -4.775 1.991 -6.898 1.00 0.00 C ATOM 88 C ALA A 6 -4.870 2.295 -8.394 1.00 0.00 C ATOM 89 O ALA A 6 -5.948 2.600 -8.903 1.00 0.00 O ATOM 90 CB ALA A 6 -4.676 0.490 -6.613 1.00 0.00 C ATOM 0 H ALA A 6 -6.829 2.121 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.862 2.455 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.802 0.080 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.581 0.329 -5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.574 -0.009 -6.977 1.00 0.00 H new ATOM 96 N LEU A 7 -3.727 2.201 -9.058 1.00 0.00 N ATOM 97 CA LEU A 7 -3.668 2.463 -10.486 1.00 0.00 C ATOM 98 C LEU A 7 -2.844 1.367 -11.167 1.00 0.00 C ATOM 99 O LEU A 7 -3.353 0.647 -12.026 1.00 0.00 O ATOM 100 CB LEU A 7 -3.147 3.876 -10.750 1.00 0.00 C ATOM 101 CG LEU A 7 -3.837 4.645 -11.879 1.00 0.00 C ATOM 102 CD1 LEU A 7 -5.304 4.915 -11.541 1.00 0.00 C ATOM 103 CD2 LEU A 7 -3.078 5.932 -12.209 1.00 0.00 C ATOM 0 H LEU A 7 -2.835 1.947 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.667 2.430 -10.921 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.243 4.455 -9.831 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.083 3.813 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.822 4.024 -12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.771 5.463 -12.360 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.824 3.968 -11.395 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.364 5.507 -10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.589 6.460 -13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.040 6.569 -11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.064 5.686 -12.523 1.00 0.00 H new ATOM 115 N TYR A 8 -1.589 1.273 -10.757 1.00 0.00 N ATOM 116 CA TYR A 8 -0.691 0.277 -11.316 1.00 0.00 C ATOM 117 C TYR A 8 -0.268 -0.739 -10.254 1.00 0.00 C ATOM 118 O TYR A 8 -0.426 -0.494 -9.058 1.00 0.00 O ATOM 119 CB TYR A 8 0.545 1.044 -11.793 1.00 0.00 C ATOM 120 CG TYR A 8 0.404 1.642 -13.193 1.00 0.00 C ATOM 121 CD1 TYR A 8 -0.521 2.638 -13.429 1.00 0.00 C ATOM 122 CD2 TYR A 8 1.203 1.184 -14.223 1.00 0.00 C ATOM 123 CE1 TYR A 8 -0.652 3.201 -14.748 1.00 0.00 C ATOM 124 CE2 TYR A 8 1.071 1.747 -15.541 1.00 0.00 C ATOM 125 CZ TYR A 8 0.150 2.728 -15.739 1.00 0.00 C ATOM 126 OH TYR A 8 0.024 3.260 -16.984 1.00 0.00 O ATOM 0 H TYR A 8 -1.172 1.871 -10.043 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.180 -0.271 -12.121 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.757 1.846 -11.086 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.404 0.373 -11.781 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.147 2.995 -12.625 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.927 0.404 -14.039 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.371 3.982 -14.946 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.690 1.398 -16.355 1.00 0.00 H new ATOM 0 HH TYR A 8 0.661 2.827 -17.591 1.00 0.00 H new ATOM 136 N ASP A 9 0.262 -1.856 -10.727 1.00 0.00 N ATOM 137 CA ASP A 9 0.709 -2.911 -9.831 1.00 0.00 C ATOM 138 C ASP A 9 2.239 -2.929 -9.797 1.00 0.00 C ATOM 139 O ASP A 9 2.890 -2.585 -10.782 1.00 0.00 O ATOM 140 CB ASP A 9 0.230 -4.282 -10.312 1.00 0.00 C ATOM 141 CG ASP A 9 0.618 -4.634 -11.749 1.00 0.00 C ATOM 142 OD1 ASP A 9 1.317 -3.868 -12.429 1.00 0.00 O ATOM 143 OD2 ASP A 9 0.164 -5.765 -12.174 1.00 0.00 O ATOM 0 H ASP A 9 0.393 -2.055 -11.719 1.00 0.00 H new ATOM 0 HA ASP A 9 0.296 -2.712 -8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.632 -5.045 -9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.856 -4.322 -10.224 1.00 0.00 H new ATOM 149 N TYR A 10 2.767 -3.336 -8.651 1.00 0.00 N ATOM 150 CA TYR A 10 4.208 -3.405 -8.476 1.00 0.00 C ATOM 151 C TYR A 10 4.680 -4.856 -8.379 1.00 0.00 C ATOM 152 O TYR A 10 4.473 -5.514 -7.360 1.00 0.00 O ATOM 153 CB TYR A 10 4.506 -2.695 -7.153 1.00 0.00 C ATOM 154 CG TYR A 10 5.888 -2.041 -7.093 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.995 -2.797 -6.770 1.00 0.00 C ATOM 156 CD2 TYR A 10 6.026 -0.695 -7.364 1.00 0.00 C ATOM 157 CE1 TYR A 10 8.297 -2.182 -6.715 1.00 0.00 C ATOM 158 CE2 TYR A 10 7.327 -0.080 -7.309 1.00 0.00 C ATOM 159 CZ TYR A 10 8.398 -0.854 -6.986 1.00 0.00 C ATOM 160 OH TYR A 10 9.626 -0.273 -6.935 1.00 0.00 O ATOM 0 H TYR A 10 2.224 -3.621 -7.836 1.00 0.00 H new ATOM 0 HA TYR A 10 4.720 -2.946 -9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.747 -1.931 -6.984 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.421 -3.415 -6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.886 -3.850 -6.558 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.159 -0.103 -7.617 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.172 -2.763 -6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.450 0.972 -7.519 1.00 0.00 H new ATOM 0 HH TYR A 10 9.547 0.679 -7.152 1.00 0.00 H new ATOM 170 N GLU A 11 5.306 -5.314 -9.453 1.00 0.00 N ATOM 171 CA GLU A 11 5.809 -6.676 -9.503 1.00 0.00 C ATOM 172 C GLU A 11 7.148 -6.774 -8.770 1.00 0.00 C ATOM 173 O GLU A 11 8.106 -6.089 -9.125 1.00 0.00 O ATOM 174 CB GLU A 11 5.939 -7.160 -10.949 1.00 0.00 C ATOM 175 CG GLU A 11 4.581 -7.590 -11.507 1.00 0.00 C ATOM 176 CD GLU A 11 4.752 -8.524 -12.707 1.00 0.00 C ATOM 177 OE1 GLU A 11 4.419 -8.145 -13.840 1.00 0.00 O ATOM 178 OE2 GLU A 11 5.251 -9.681 -12.431 1.00 0.00 O ATOM 0 H GLU A 11 5.476 -4.766 -10.296 1.00 0.00 H new ATOM 0 HA GLU A 11 5.093 -7.326 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.355 -6.364 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.637 -7.996 -10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.007 -8.093 -10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.011 -6.710 -11.805 1.00 0.00 H new ATOM 186 N ALA A 12 7.172 -7.632 -7.760 1.00 0.00 N ATOM 187 CA ALA A 12 8.378 -7.828 -6.974 1.00 0.00 C ATOM 188 C ALA A 12 8.437 -9.280 -6.492 1.00 0.00 C ATOM 189 O ALA A 12 7.651 -10.116 -6.934 1.00 0.00 O ATOM 190 CB ALA A 12 8.401 -6.829 -5.815 1.00 0.00 C ATOM 0 H ALA A 12 6.376 -8.199 -7.468 1.00 0.00 H new ATOM 0 HA ALA A 12 9.265 -7.645 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.306 -6.976 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.387 -5.813 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.527 -6.985 -5.183 1.00 0.00 H new ATOM 196 N ARG A 13 9.378 -9.534 -5.594 1.00 0.00 N ATOM 197 CA ARG A 13 9.550 -10.869 -5.049 1.00 0.00 C ATOM 198 C ARG A 13 10.488 -10.832 -3.841 1.00 0.00 C ATOM 199 O ARG A 13 11.601 -11.353 -3.899 1.00 0.00 O ATOM 200 CB ARG A 13 10.120 -11.824 -6.100 1.00 0.00 C ATOM 201 CG ARG A 13 9.133 -12.951 -6.409 1.00 0.00 C ATOM 202 CD ARG A 13 9.589 -14.269 -5.779 1.00 0.00 C ATOM 203 NE ARG A 13 10.072 -14.030 -4.401 1.00 0.00 N ATOM 204 CZ ARG A 13 9.320 -14.210 -3.293 1.00 0.00 C ATOM 205 NH1 ARG A 13 8.042 -14.633 -3.394 1.00 0.00 N ATOM 206 NH2 ARG A 13 9.854 -13.965 -2.111 1.00 0.00 N ATOM 0 H ARG A 13 10.029 -8.838 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 13 8.569 -11.230 -4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.346 -11.273 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.059 -12.246 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.145 -12.687 -6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.041 -13.073 -7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.763 -14.980 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.383 -14.713 -6.380 1.00 0.00 H new ATOM 0 HE ARG A 13 11.033 -13.709 -4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.637 -14.819 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.481 -14.766 -2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.820 -13.645 -2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.300 -14.096 -1.264 1.00 0.00 H new ATOM 219 N THR A 14 10.004 -10.212 -2.775 1.00 0.00 N ATOM 220 CA THR A 14 10.786 -10.099 -1.555 1.00 0.00 C ATOM 221 C THR A 14 9.910 -10.387 -0.333 1.00 0.00 C ATOM 222 O THR A 14 8.684 -10.391 -0.431 1.00 0.00 O ATOM 223 CB THR A 14 11.427 -8.711 -1.530 1.00 0.00 C ATOM 224 OG1 THR A 14 10.699 -7.975 -2.508 1.00 0.00 O ATOM 225 CG2 THR A 14 12.862 -8.719 -2.062 1.00 0.00 C ATOM 0 H THR A 14 9.080 -9.782 -2.730 1.00 0.00 H new ATOM 0 HA THR A 14 11.584 -10.841 -1.526 1.00 0.00 H new ATOM 0 HB THR A 14 11.420 -8.326 -0.510 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.782 -7.832 -2.194 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.270 -7.709 -2.022 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.473 -9.382 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.866 -9.072 -3.093 1.00 0.00 H new ATOM 233 N GLU A 15 10.575 -10.620 0.789 1.00 0.00 N ATOM 234 CA GLU A 15 9.874 -10.907 2.029 1.00 0.00 C ATOM 235 C GLU A 15 9.386 -9.609 2.676 1.00 0.00 C ATOM 236 O GLU A 15 8.319 -9.579 3.287 1.00 0.00 O ATOM 237 CB GLU A 15 10.761 -11.700 2.990 1.00 0.00 C ATOM 238 CG GLU A 15 9.916 -12.533 3.957 1.00 0.00 C ATOM 239 CD GLU A 15 10.443 -12.414 5.388 1.00 0.00 C ATOM 240 OE1 GLU A 15 10.986 -11.364 5.763 1.00 0.00 O ATOM 241 OE2 GLU A 15 10.273 -13.461 6.121 1.00 0.00 O ATOM 0 H GLU A 15 11.592 -10.616 0.865 1.00 0.00 H new ATOM 0 HA GLU A 15 9.005 -11.523 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.423 -12.355 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.396 -11.016 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.879 -12.200 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.927 -13.578 3.647 1.00 0.00 H new ATOM 249 N ASP A 16 10.191 -8.569 2.520 1.00 0.00 N ATOM 250 CA ASP A 16 9.856 -7.272 3.081 1.00 0.00 C ATOM 251 C ASP A 16 8.752 -6.627 2.240 1.00 0.00 C ATOM 252 O ASP A 16 7.671 -6.333 2.748 1.00 0.00 O ATOM 253 CB ASP A 16 11.067 -6.337 3.070 1.00 0.00 C ATOM 254 CG ASP A 16 12.399 -7.001 3.420 1.00 0.00 C ATOM 255 OD1 ASP A 16 12.986 -7.724 2.602 1.00 0.00 O ATOM 256 OD2 ASP A 16 12.841 -6.745 4.605 1.00 0.00 O ATOM 0 H ASP A 16 11.075 -8.598 2.013 1.00 0.00 H new ATOM 0 HA ASP A 16 9.528 -7.424 4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.151 -5.888 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.887 -5.525 3.775 1.00 0.00 H new ATOM 262 N ASP A 17 9.063 -6.427 0.968 1.00 0.00 N ATOM 263 CA ASP A 17 8.111 -5.822 0.052 1.00 0.00 C ATOM 264 C ASP A 17 7.435 -6.920 -0.773 1.00 0.00 C ATOM 265 O ASP A 17 8.110 -7.734 -1.400 1.00 0.00 O ATOM 266 CB ASP A 17 8.810 -4.866 -0.918 1.00 0.00 C ATOM 267 CG ASP A 17 7.972 -3.665 -1.359 1.00 0.00 C ATOM 268 OD1 ASP A 17 6.734 -3.730 -1.398 1.00 0.00 O ATOM 269 OD2 ASP A 17 8.650 -2.615 -1.678 1.00 0.00 O ATOM 0 H ASP A 17 9.960 -6.673 0.550 1.00 0.00 H new ATOM 0 HA ASP A 17 7.381 -5.268 0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.723 -4.500 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.109 -5.426 -1.804 1.00 0.00 H new ATOM 275 N LEU A 18 6.111 -6.906 -0.743 1.00 0.00 N ATOM 276 CA LEU A 18 5.336 -7.891 -1.480 1.00 0.00 C ATOM 277 C LEU A 18 4.815 -7.260 -2.772 1.00 0.00 C ATOM 278 O LEU A 18 5.015 -6.071 -3.011 1.00 0.00 O ATOM 279 CB LEU A 18 4.235 -8.478 -0.594 1.00 0.00 C ATOM 280 CG LEU A 18 3.820 -7.630 0.611 1.00 0.00 C ATOM 281 CD1 LEU A 18 2.993 -6.420 0.170 1.00 0.00 C ATOM 282 CD2 LEU A 18 3.086 -8.477 1.651 1.00 0.00 C ATOM 0 H LEU A 18 5.555 -6.229 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 18 5.965 -8.734 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.354 -8.652 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.568 -9.451 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 18 4.723 -7.248 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.711 -5.834 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.584 -5.802 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.094 -6.761 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.802 -7.850 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.191 -8.908 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.741 -9.277 1.996 1.00 0.00 H new ATOM 294 N SER A 19 4.155 -8.085 -3.572 1.00 0.00 N ATOM 295 CA SER A 19 3.603 -7.623 -4.834 1.00 0.00 C ATOM 296 C SER A 19 2.083 -7.792 -4.833 1.00 0.00 C ATOM 297 O SER A 19 1.566 -8.799 -4.351 1.00 0.00 O ATOM 298 CB SER A 19 4.220 -8.377 -6.014 1.00 0.00 C ATOM 299 OG SER A 19 3.540 -8.104 -7.236 1.00 0.00 O ATOM 0 H SER A 19 3.990 -9.071 -3.370 1.00 0.00 H new ATOM 0 HA SER A 19 3.845 -6.566 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.269 -8.099 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.191 -9.448 -5.815 1.00 0.00 H new ATOM 0 HG SER A 19 3.655 -7.159 -7.471 1.00 0.00 H new ATOM 305 N PHE A 20 1.408 -6.791 -5.380 1.00 0.00 N ATOM 306 CA PHE A 20 -0.043 -6.815 -5.448 1.00 0.00 C ATOM 307 C PHE A 20 -0.531 -6.507 -6.865 1.00 0.00 C ATOM 308 O PHE A 20 0.243 -6.571 -7.819 1.00 0.00 O ATOM 309 CB PHE A 20 -0.554 -5.730 -4.499 1.00 0.00 C ATOM 310 CG PHE A 20 -1.111 -6.269 -3.179 1.00 0.00 C ATOM 311 CD1 PHE A 20 -2.266 -6.988 -3.172 1.00 0.00 C ATOM 312 CD2 PHE A 20 -0.452 -6.028 -2.015 1.00 0.00 C ATOM 313 CE1 PHE A 20 -2.782 -7.488 -1.947 1.00 0.00 C ATOM 314 CE2 PHE A 20 -0.969 -6.527 -0.790 1.00 0.00 C ATOM 315 CZ PHE A 20 -2.123 -7.247 -0.783 1.00 0.00 C ATOM 0 H PHE A 20 1.840 -5.958 -5.780 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.411 -7.803 -5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.260 -5.038 -4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.333 -5.158 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.790 -7.178 -4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.465 -5.457 -2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.698 -8.060 -1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.446 -6.335 0.135 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.516 -7.627 0.148 1.00 0.00 H new ATOM 325 N HIS A 21 -1.812 -6.182 -6.958 1.00 0.00 N ATOM 326 CA HIS A 21 -2.411 -5.864 -8.243 1.00 0.00 C ATOM 327 C HIS A 21 -3.269 -4.604 -8.111 1.00 0.00 C ATOM 328 O HIS A 21 -3.632 -4.208 -7.005 1.00 0.00 O ATOM 329 CB HIS A 21 -3.194 -7.060 -8.788 1.00 0.00 C ATOM 330 CG HIS A 21 -3.639 -6.902 -10.222 1.00 0.00 C ATOM 331 ND1 HIS A 21 -4.931 -7.165 -10.640 1.00 0.00 N ATOM 332 CD2 HIS A 21 -2.950 -6.505 -11.330 1.00 0.00 C ATOM 333 CE1 HIS A 21 -5.006 -6.934 -11.942 1.00 0.00 C ATOM 334 NE2 HIS A 21 -3.776 -6.525 -12.369 1.00 0.00 N ATOM 0 H HIS A 21 -2.451 -6.132 -6.165 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.628 -5.654 -8.972 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.575 -7.954 -8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -4.071 -7.222 -8.162 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.908 -6.222 -11.357 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -5.886 -7.049 -12.558 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.532 -6.276 -13.328 1.00 0.00 H new ATOM 342 N LYS A 22 -3.568 -4.008 -9.257 1.00 0.00 N ATOM 343 CA LYS A 22 -4.376 -2.802 -9.284 1.00 0.00 C ATOM 344 C LYS A 22 -5.843 -3.169 -9.048 1.00 0.00 C ATOM 345 O LYS A 22 -6.364 -4.089 -9.677 1.00 0.00 O ATOM 346 CB LYS A 22 -4.137 -2.026 -10.580 1.00 0.00 C ATOM 347 CG LYS A 22 -4.269 -2.941 -11.799 1.00 0.00 C ATOM 348 CD LYS A 22 -3.667 -2.286 -13.045 1.00 0.00 C ATOM 349 CE LYS A 22 -4.254 -2.892 -14.320 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.288 -2.788 -15.437 1.00 0.00 N ATOM 0 H LYS A 22 -3.265 -4.339 -10.173 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.082 -2.129 -8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.853 -1.208 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.143 -1.579 -10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.767 -3.888 -11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.320 -3.168 -11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.860 -1.213 -13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.585 -2.415 -13.041 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.509 -3.938 -14.148 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.178 -2.377 -14.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.703 -3.204 -16.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.065 -1.787 -15.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.416 -3.299 -15.191 1.00 0.00 H new ATOM 363 N GLY A 23 -6.466 -2.432 -8.141 1.00 0.00 N ATOM 364 CA GLY A 23 -7.863 -2.668 -7.816 1.00 0.00 C ATOM 365 C GLY A 23 -8.009 -3.208 -6.392 1.00 0.00 C ATOM 366 O GLY A 23 -8.334 -4.378 -6.198 1.00 0.00 O ATOM 0 H GLY A 23 -6.030 -1.671 -7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.426 -1.740 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.290 -3.378 -8.524 1.00 0.00 H new ATOM 370 N GLU A 24 -7.761 -2.330 -5.432 1.00 0.00 N ATOM 371 CA GLU A 24 -7.860 -2.703 -4.031 1.00 0.00 C ATOM 372 C GLU A 24 -7.934 -1.453 -3.152 1.00 0.00 C ATOM 373 O GLU A 24 -7.503 -0.376 -3.562 1.00 0.00 O ATOM 374 CB GLU A 24 -6.691 -3.597 -3.617 1.00 0.00 C ATOM 375 CG GLU A 24 -7.183 -4.979 -3.182 1.00 0.00 C ATOM 376 CD GLU A 24 -6.118 -5.705 -2.357 1.00 0.00 C ATOM 377 OE1 GLU A 24 -5.251 -5.055 -1.755 1.00 0.00 O ATOM 378 OE2 GLU A 24 -6.216 -6.991 -2.353 1.00 0.00 O ATOM 0 H GLU A 24 -7.491 -1.360 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.777 -3.275 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.995 -3.701 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.142 -3.129 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.095 -4.876 -2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.435 -5.573 -4.061 1.00 0.00 H new ATOM 386 N LYS A 25 -8.481 -1.637 -1.959 1.00 0.00 N ATOM 387 CA LYS A 25 -8.615 -0.537 -1.019 1.00 0.00 C ATOM 388 C LYS A 25 -7.383 -0.493 -0.114 1.00 0.00 C ATOM 389 O LYS A 25 -6.847 -1.534 0.262 1.00 0.00 O ATOM 390 CB LYS A 25 -9.936 -0.644 -0.255 1.00 0.00 C ATOM 391 CG LYS A 25 -10.895 0.479 -0.656 1.00 0.00 C ATOM 392 CD LYS A 25 -11.884 0.783 0.471 1.00 0.00 C ATOM 393 CE LYS A 25 -13.218 1.278 -0.091 1.00 0.00 C ATOM 394 NZ LYS A 25 -14.216 0.184 -0.096 1.00 0.00 N ATOM 0 H LYS A 25 -8.837 -2.532 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.656 0.415 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.398 -1.611 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.745 -0.598 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.328 1.377 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.440 0.193 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.047 -0.114 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.463 1.537 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.585 2.111 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.076 1.653 -1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.116 0.537 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.870 -0.599 -0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.364 -0.155 0.876 1.00 0.00 H new ATOM 407 N PHE A 26 -6.970 0.724 0.210 1.00 0.00 N ATOM 408 CA PHE A 26 -5.811 0.918 1.065 1.00 0.00 C ATOM 409 C PHE A 26 -6.111 1.926 2.175 1.00 0.00 C ATOM 410 O PHE A 26 -6.522 3.053 1.901 1.00 0.00 O ATOM 411 CB PHE A 26 -4.691 1.469 0.180 1.00 0.00 C ATOM 412 CG PHE A 26 -4.078 0.433 -0.764 1.00 0.00 C ATOM 413 CD1 PHE A 26 -3.682 -0.776 -0.283 1.00 0.00 C ATOM 414 CD2 PHE A 26 -3.928 0.721 -2.085 1.00 0.00 C ATOM 415 CE1 PHE A 26 -3.112 -1.737 -1.159 1.00 0.00 C ATOM 416 CE2 PHE A 26 -3.359 -0.241 -2.961 1.00 0.00 C ATOM 417 CZ PHE A 26 -2.963 -1.449 -2.480 1.00 0.00 C ATOM 0 H PHE A 26 -7.417 1.585 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.532 -0.025 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.083 2.297 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.905 1.875 0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.801 -1.005 0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.242 1.681 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.797 -2.697 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.241 -0.013 -4.010 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.530 -2.180 -3.147 1.00 0.00 H new ATOM 427 N GLN A 27 -5.894 1.486 3.406 1.00 0.00 N ATOM 428 CA GLN A 27 -6.136 2.337 4.559 1.00 0.00 C ATOM 429 C GLN A 27 -4.823 2.949 5.051 1.00 0.00 C ATOM 430 O GLN A 27 -3.750 2.396 4.817 1.00 0.00 O ATOM 431 CB GLN A 27 -6.832 1.559 5.678 1.00 0.00 C ATOM 432 CG GLN A 27 -8.351 1.725 5.598 1.00 0.00 C ATOM 433 CD GLN A 27 -8.849 2.727 6.641 1.00 0.00 C ATOM 434 OE1 GLN A 27 -9.359 3.790 6.325 1.00 0.00 O ATOM 435 NE2 GLN A 27 -8.674 2.331 7.899 1.00 0.00 N ATOM 0 H GLN A 27 -5.553 0.551 3.630 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.801 3.146 4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.574 0.502 5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.475 1.910 6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.631 2.064 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.834 0.761 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.240 1.429 8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.974 2.930 8.669 1.00 0.00 H new ATOM 444 N ILE A 28 -4.952 4.083 5.725 1.00 0.00 N ATOM 445 CA ILE A 28 -3.790 4.777 6.252 1.00 0.00 C ATOM 446 C ILE A 28 -3.341 4.097 7.548 1.00 0.00 C ATOM 447 O ILE A 28 -4.112 3.370 8.172 1.00 0.00 O ATOM 448 CB ILE A 28 -4.083 6.270 6.411 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.479 6.495 6.994 1.00 0.00 C ATOM 450 CG2 ILE A 28 -3.889 7.011 5.086 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.414 6.708 8.508 1.00 0.00 C ATOM 0 H ILE A 28 -5.844 4.538 5.918 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.957 4.713 5.551 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.367 6.685 7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.939 7.362 6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.113 5.637 6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.104 8.070 5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.859 6.891 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.566 6.600 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.420 6.866 8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.976 5.829 8.981 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.800 7.581 8.726 1.00 0.00 H new ATOM 463 N LEU A 29 -2.094 4.358 7.914 1.00 0.00 N ATOM 464 CA LEU A 29 -1.533 3.781 9.124 1.00 0.00 C ATOM 465 C LEU A 29 -0.384 4.662 9.618 1.00 0.00 C ATOM 466 O LEU A 29 -0.605 5.625 10.351 1.00 0.00 O ATOM 467 CB LEU A 29 -1.133 2.324 8.886 1.00 0.00 C ATOM 468 CG LEU A 29 -1.585 1.322 9.950 1.00 0.00 C ATOM 469 CD1 LEU A 29 -2.588 0.322 9.371 1.00 0.00 C ATOM 470 CD2 LEU A 29 -0.384 0.624 10.591 1.00 0.00 C ATOM 0 H LEU A 29 -1.457 4.961 7.394 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.280 3.757 9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.538 2.009 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.047 2.274 8.807 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.098 1.871 10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.893 -0.379 10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.463 0.857 9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.124 -0.225 8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.733 -0.083 11.344 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.178 0.090 9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.260 1.367 11.062 1.00 0.00 H new ATOM 482 N ASN A 30 0.819 4.301 9.196 1.00 0.00 N ATOM 483 CA ASN A 30 2.004 5.046 9.587 1.00 0.00 C ATOM 484 C ASN A 30 2.209 6.214 8.620 1.00 0.00 C ATOM 485 O ASN A 30 2.088 6.048 7.408 1.00 0.00 O ATOM 486 CB ASN A 30 3.253 4.164 9.534 1.00 0.00 C ATOM 487 CG ASN A 30 3.745 3.824 10.943 1.00 0.00 C ATOM 488 OD1 ASN A 30 3.770 4.654 11.837 1.00 0.00 O ATOM 489 ND2 ASN A 30 4.133 2.561 11.090 1.00 0.00 N ATOM 0 H ASN A 30 0.999 3.503 8.587 1.00 0.00 H new ATOM 0 HA ASN A 30 1.857 5.401 10.607 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.031 3.245 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.042 4.677 8.984 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.478 2.235 11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.086 1.918 10.300 1.00 0.00 H new ATOM 496 N SER A 31 2.516 7.368 9.193 1.00 0.00 N ATOM 497 CA SER A 31 2.738 8.563 8.397 1.00 0.00 C ATOM 498 C SER A 31 3.965 9.316 8.914 1.00 0.00 C ATOM 499 O SER A 31 3.939 10.538 9.045 1.00 0.00 O ATOM 500 CB SER A 31 1.510 9.475 8.415 1.00 0.00 C ATOM 501 OG SER A 31 0.296 8.733 8.501 1.00 0.00 O ATOM 0 H SER A 31 2.616 7.501 10.199 1.00 0.00 H new ATOM 0 HA SER A 31 2.914 8.257 7.366 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.578 10.158 9.261 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.499 10.086 7.512 1.00 0.00 H new ATOM 0 HG SER A 31 -0.465 9.351 8.512 1.00 0.00 H new ATOM 507 N SER A 32 5.013 8.554 9.194 1.00 0.00 N ATOM 508 CA SER A 32 6.247 9.133 9.695 1.00 0.00 C ATOM 509 C SER A 32 7.422 8.199 9.398 1.00 0.00 C ATOM 510 O SER A 32 8.009 7.624 10.313 1.00 0.00 O ATOM 511 CB SER A 32 6.156 9.411 11.197 1.00 0.00 C ATOM 512 OG SER A 32 5.864 10.778 11.470 1.00 0.00 O ATOM 0 H SER A 32 5.032 7.540 9.083 1.00 0.00 H new ATOM 0 HA SER A 32 6.409 10.083 9.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.383 8.780 11.636 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.098 9.139 11.674 1.00 0.00 H new ATOM 0 HG SER A 32 5.204 11.107 10.824 1.00 0.00 H new ATOM 518 N GLU A 33 7.731 8.078 8.115 1.00 0.00 N ATOM 519 CA GLU A 33 8.825 7.224 7.687 1.00 0.00 C ATOM 520 C GLU A 33 9.607 7.892 6.554 1.00 0.00 C ATOM 521 O GLU A 33 10.692 8.428 6.776 1.00 0.00 O ATOM 522 CB GLU A 33 8.311 5.848 7.260 1.00 0.00 C ATOM 523 CG GLU A 33 8.539 4.811 8.361 1.00 0.00 C ATOM 524 CD GLU A 33 8.806 3.427 7.766 1.00 0.00 C ATOM 525 OE1 GLU A 33 7.888 2.804 7.211 1.00 0.00 O ATOM 526 OE2 GLU A 33 10.016 3.002 7.894 1.00 0.00 O ATOM 0 H GLU A 33 7.243 8.557 7.359 1.00 0.00 H new ATOM 0 HA GLU A 33 9.499 7.078 8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.248 5.909 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.819 5.533 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.383 5.113 8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.665 4.768 9.012 1.00 0.00 H new ATOM 534 N GLY A 34 9.027 7.838 5.364 1.00 0.00 N ATOM 535 CA GLY A 34 9.656 8.431 4.197 1.00 0.00 C ATOM 536 C GLY A 34 8.809 8.207 2.944 1.00 0.00 C ATOM 537 O GLY A 34 7.707 8.742 2.830 1.00 0.00 O ATOM 0 H GLY A 34 8.128 7.392 5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.796 9.500 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.646 7.998 4.053 1.00 0.00 H new ATOM 541 N ASP A 35 9.355 7.413 2.033 1.00 0.00 N ATOM 542 CA ASP A 35 8.664 7.110 0.792 1.00 0.00 C ATOM 543 C ASP A 35 7.896 5.796 0.949 1.00 0.00 C ATOM 544 O ASP A 35 6.701 5.733 0.662 1.00 0.00 O ATOM 545 CB ASP A 35 9.652 6.946 -0.364 1.00 0.00 C ATOM 546 CG ASP A 35 9.972 8.231 -1.129 1.00 0.00 C ATOM 547 OD1 ASP A 35 11.134 8.658 -1.204 1.00 0.00 O ATOM 548 OD2 ASP A 35 8.954 8.810 -1.672 1.00 0.00 O ATOM 0 H ASP A 35 10.269 6.971 2.131 1.00 0.00 H new ATOM 0 HA ASP A 35 7.988 7.936 0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.582 6.534 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.250 6.215 -1.065 1.00 0.00 H new ATOM 554 N TRP A 36 8.614 4.779 1.402 1.00 0.00 N ATOM 555 CA TRP A 36 8.015 3.470 1.601 1.00 0.00 C ATOM 556 C TRP A 36 7.218 3.507 2.905 1.00 0.00 C ATOM 557 O TRP A 36 7.796 3.499 3.991 1.00 0.00 O ATOM 558 CB TRP A 36 9.080 2.371 1.581 1.00 0.00 C ATOM 559 CG TRP A 36 9.541 1.976 0.177 1.00 0.00 C ATOM 560 CD1 TRP A 36 9.453 2.692 -0.952 1.00 0.00 C ATOM 561 CD2 TRP A 36 10.172 0.735 -0.203 1.00 0.00 C ATOM 562 NE1 TRP A 36 9.978 2.005 -2.028 1.00 0.00 N ATOM 563 CE2 TRP A 36 10.429 0.777 -1.558 1.00 0.00 C ATOM 564 CE3 TRP A 36 10.514 -0.387 0.573 1.00 0.00 C ATOM 565 CZ2 TRP A 36 11.039 -0.272 -2.256 1.00 0.00 C ATOM 566 CZ3 TRP A 36 11.122 -1.427 -0.140 1.00 0.00 C ATOM 567 CH2 TRP A 36 11.387 -1.399 -1.504 1.00 0.00 C ATOM 0 H TRP A 36 9.605 4.835 1.637 1.00 0.00 H new ATOM 0 HA TRP A 36 7.334 3.230 0.785 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.944 2.706 2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.686 1.488 2.085 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.025 3.682 -1.013 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.026 2.337 -2.991 1.00 0.00 H new ATOM 0 HE3 TRP A 36 10.323 -0.442 1.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.231 -0.214 -3.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 11.405 -2.313 0.408 1.00 0.00 H new ATOM 0 HH2 TRP A 36 11.860 -2.244 -1.982 1.00 0.00 H new ATOM 578 N TRP A 37 5.902 3.546 2.757 1.00 0.00 N ATOM 579 CA TRP A 37 5.019 3.585 3.910 1.00 0.00 C ATOM 580 C TRP A 37 4.343 2.218 4.034 1.00 0.00 C ATOM 581 O TRP A 37 4.590 1.323 3.227 1.00 0.00 O ATOM 582 CB TRP A 37 4.020 4.737 3.798 1.00 0.00 C ATOM 583 CG TRP A 37 4.466 6.019 4.505 1.00 0.00 C ATOM 584 CD1 TRP A 37 5.442 6.165 5.411 1.00 0.00 C ATOM 585 CD2 TRP A 37 3.911 7.339 4.323 1.00 0.00 C ATOM 586 NE1 TRP A 37 5.557 7.476 5.826 1.00 0.00 N ATOM 587 CE2 TRP A 37 4.596 8.213 5.143 1.00 0.00 C ATOM 588 CE3 TRP A 37 2.865 7.780 3.493 1.00 0.00 C ATOM 589 CZ2 TRP A 37 4.309 9.582 5.215 1.00 0.00 C ATOM 590 CZ3 TRP A 37 2.592 9.151 3.576 1.00 0.00 C ATOM 591 CH2 TRP A 37 3.271 10.044 4.396 1.00 0.00 C ATOM 0 H TRP A 37 5.426 3.551 1.855 1.00 0.00 H new ATOM 0 HA TRP A 37 5.584 3.779 4.822 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.850 4.956 2.744 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.065 4.418 4.215 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.062 5.357 5.772 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.224 7.838 6.508 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.316 7.114 2.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.858 10.245 5.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.797 9.542 2.959 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.000 11.089 4.402 1.00 0.00 H new ATOM 602 N GLU A 38 3.502 2.099 5.051 1.00 0.00 N ATOM 603 CA GLU A 38 2.789 0.856 5.290 1.00 0.00 C ATOM 604 C GLU A 38 1.300 1.031 4.985 1.00 0.00 C ATOM 605 O GLU A 38 0.765 2.133 5.097 1.00 0.00 O ATOM 606 CB GLU A 38 2.999 0.370 6.726 1.00 0.00 C ATOM 607 CG GLU A 38 4.041 -0.750 6.778 1.00 0.00 C ATOM 608 CD GLU A 38 5.123 -0.444 7.817 1.00 0.00 C ATOM 609 OE1 GLU A 38 5.212 -1.138 8.840 1.00 0.00 O ATOM 610 OE2 GLU A 38 5.889 0.553 7.529 1.00 0.00 O ATOM 0 H GLU A 38 3.299 2.843 5.719 1.00 0.00 H new ATOM 0 HA GLU A 38 3.191 0.096 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.322 1.202 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.054 0.012 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.554 -1.694 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.498 -0.872 5.796 1.00 0.00 H new ATOM 618 N ALA A 39 0.673 -0.073 4.605 1.00 0.00 N ATOM 619 CA ALA A 39 -0.744 -0.054 4.282 1.00 0.00 C ATOM 620 C ALA A 39 -1.341 -1.439 4.546 1.00 0.00 C ATOM 621 O ALA A 39 -0.639 -2.446 4.467 1.00 0.00 O ATOM 622 CB ALA A 39 -0.931 0.394 2.831 1.00 0.00 C ATOM 0 H ALA A 39 1.120 -0.985 4.514 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.272 0.660 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.994 0.408 2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.516 1.394 2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.417 -0.300 2.167 1.00 0.00 H new ATOM 628 N ARG A 40 -2.629 -1.443 4.855 1.00 0.00 N ATOM 629 CA ARG A 40 -3.328 -2.687 5.132 1.00 0.00 C ATOM 630 C ARG A 40 -4.327 -2.994 4.014 1.00 0.00 C ATOM 631 O ARG A 40 -4.250 -2.415 2.932 1.00 0.00 O ATOM 632 CB ARG A 40 -4.071 -2.617 6.467 1.00 0.00 C ATOM 633 CG ARG A 40 -4.109 -3.986 7.146 1.00 0.00 C ATOM 634 CD ARG A 40 -5.260 -4.068 8.151 1.00 0.00 C ATOM 635 NE ARG A 40 -4.786 -3.674 9.497 1.00 0.00 N ATOM 636 CZ ARG A 40 -5.586 -3.569 10.580 1.00 0.00 C ATOM 637 NH1 ARG A 40 -6.907 -3.827 10.484 1.00 0.00 N ATOM 638 NH2 ARG A 40 -5.056 -3.208 11.733 1.00 0.00 N ATOM 0 H ARG A 40 -3.207 -0.605 4.920 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.583 -3.481 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.582 -1.896 7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.088 -2.260 6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.222 -4.766 6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.163 -4.170 7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.074 -3.415 7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.658 -5.082 8.179 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.794 -3.469 9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.309 -4.104 9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.504 -3.745 11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.057 -3.013 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.645 -3.124 12.561 1.00 0.00 H new ATOM 651 N SER A 41 -5.241 -3.904 4.315 1.00 0.00 N ATOM 652 CA SER A 41 -6.255 -4.295 3.350 1.00 0.00 C ATOM 653 C SER A 41 -7.528 -4.733 4.076 1.00 0.00 C ATOM 654 O SER A 41 -7.463 -5.263 5.185 1.00 0.00 O ATOM 655 CB SER A 41 -5.748 -5.417 2.443 1.00 0.00 C ATOM 656 OG SER A 41 -5.063 -4.913 1.300 1.00 0.00 O ATOM 0 H SER A 41 -5.301 -4.382 5.214 1.00 0.00 H new ATOM 0 HA SER A 41 -6.481 -3.432 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.080 -6.066 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.590 -6.030 2.120 1.00 0.00 H new ATOM 0 HG SER A 41 -4.659 -4.047 1.516 1.00 0.00 H new ATOM 662 N LEU A 42 -8.656 -4.496 3.422 1.00 0.00 N ATOM 663 CA LEU A 42 -9.942 -4.860 3.991 1.00 0.00 C ATOM 664 C LEU A 42 -10.388 -6.205 3.415 1.00 0.00 C ATOM 665 O LEU A 42 -11.530 -6.621 3.611 1.00 0.00 O ATOM 666 CB LEU A 42 -10.957 -3.735 3.785 1.00 0.00 C ATOM 667 CG LEU A 42 -11.830 -3.388 4.993 1.00 0.00 C ATOM 668 CD1 LEU A 42 -12.457 -2.001 4.838 1.00 0.00 C ATOM 669 CD2 LEU A 42 -12.883 -4.470 5.237 1.00 0.00 C ATOM 0 H LEU A 42 -8.706 -4.056 2.503 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.858 -4.988 5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.418 -2.837 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.610 -4.009 2.957 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.192 -3.355 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.072 -1.780 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.669 -1.253 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.077 -1.980 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.490 -4.199 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.522 -4.560 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.389 -5.423 5.426 1.00 0.00 H new ATOM 681 N THR A 43 -9.465 -6.847 2.713 1.00 0.00 N ATOM 682 CA THR A 43 -9.750 -8.137 2.106 1.00 0.00 C ATOM 683 C THR A 43 -9.045 -9.255 2.875 1.00 0.00 C ATOM 684 O THR A 43 -9.695 -10.157 3.401 1.00 0.00 O ATOM 685 CB THR A 43 -9.347 -8.064 0.632 1.00 0.00 C ATOM 686 OG1 THR A 43 -9.770 -6.767 0.219 1.00 0.00 O ATOM 687 CG2 THR A 43 -10.158 -9.018 -0.245 1.00 0.00 C ATOM 0 H THR A 43 -8.520 -6.498 2.551 1.00 0.00 H new ATOM 0 HA THR A 43 -10.813 -8.372 2.156 1.00 0.00 H new ATOM 0 HB THR A 43 -8.286 -8.296 0.535 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.545 -6.635 -0.726 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.832 -8.926 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.005 -10.043 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.216 -8.767 -0.174 1.00 0.00 H new ATOM 695 N THR A 44 -7.724 -9.160 2.916 1.00 0.00 N ATOM 696 CA THR A 44 -6.923 -10.154 3.611 1.00 0.00 C ATOM 697 C THR A 44 -6.659 -9.711 5.052 1.00 0.00 C ATOM 698 O THR A 44 -7.052 -10.394 5.997 1.00 0.00 O ATOM 699 CB THR A 44 -5.646 -10.382 2.802 1.00 0.00 C ATOM 700 OG1 THR A 44 -5.232 -9.072 2.427 1.00 0.00 O ATOM 701 CG2 THR A 44 -5.915 -11.083 1.469 1.00 0.00 C ATOM 0 H THR A 44 -7.188 -8.410 2.479 1.00 0.00 H new ATOM 0 HA THR A 44 -7.450 -11.105 3.687 1.00 0.00 H new ATOM 0 HB THR A 44 -4.946 -10.975 3.390 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.408 -9.128 1.900 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.975 -11.221 0.934 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.372 -12.055 1.655 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.589 -10.474 0.867 1.00 0.00 H new ATOM 709 N GLY A 45 -5.994 -8.571 5.175 1.00 0.00 N ATOM 710 CA GLY A 45 -5.673 -8.030 6.483 1.00 0.00 C ATOM 711 C GLY A 45 -4.186 -8.204 6.799 1.00 0.00 C ATOM 712 O GLY A 45 -3.824 -8.581 7.913 1.00 0.00 O ATOM 0 H GLY A 45 -5.669 -8.008 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.934 -6.972 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.271 -8.531 7.244 1.00 0.00 H new ATOM 716 N GLU A 46 -3.364 -7.922 5.799 1.00 0.00 N ATOM 717 CA GLU A 46 -1.925 -8.043 5.955 1.00 0.00 C ATOM 718 C GLU A 46 -1.239 -6.721 5.606 1.00 0.00 C ATOM 719 O GLU A 46 -1.584 -6.084 4.611 1.00 0.00 O ATOM 720 CB GLU A 46 -1.375 -9.188 5.103 1.00 0.00 C ATOM 721 CG GLU A 46 -1.545 -10.532 5.814 1.00 0.00 C ATOM 722 CD GLU A 46 -0.292 -11.397 5.661 1.00 0.00 C ATOM 723 OE1 GLU A 46 -0.391 -12.631 5.619 1.00 0.00 O ATOM 724 OE2 GLU A 46 0.817 -10.741 5.584 1.00 0.00 O ATOM 0 H GLU A 46 -3.668 -7.610 4.877 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.711 -8.275 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.891 -9.212 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.320 -9.015 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.748 -10.365 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.407 -11.058 5.403 1.00 0.00 H new ATOM 732 N THR A 47 -0.281 -6.349 6.441 1.00 0.00 N ATOM 733 CA THR A 47 0.455 -5.114 6.233 1.00 0.00 C ATOM 734 C THR A 47 1.857 -5.413 5.695 1.00 0.00 C ATOM 735 O THR A 47 2.538 -6.310 6.191 1.00 0.00 O ATOM 736 CB THR A 47 0.463 -4.339 7.551 1.00 0.00 C ATOM 737 OG1 THR A 47 -0.834 -4.566 8.094 1.00 0.00 O ATOM 738 CG2 THR A 47 0.520 -2.825 7.341 1.00 0.00 C ATOM 0 H THR A 47 0.003 -6.881 7.263 1.00 0.00 H new ATOM 0 HA THR A 47 -0.024 -4.491 5.477 1.00 0.00 H new ATOM 0 HB THR A 47 1.317 -4.653 8.151 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.915 -4.100 8.952 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.523 -2.323 8.309 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.428 -2.567 6.795 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.351 -2.504 6.769 1.00 0.00 H new ATOM 746 N GLY A 48 2.246 -4.646 4.687 1.00 0.00 N ATOM 747 CA GLY A 48 3.554 -4.817 4.078 1.00 0.00 C ATOM 748 C GLY A 48 4.037 -3.513 3.440 1.00 0.00 C ATOM 749 O GLY A 48 3.261 -2.574 3.276 1.00 0.00 O ATOM 0 H GLY A 48 1.678 -3.905 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.270 -5.144 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.507 -5.600 3.322 1.00 0.00 H new ATOM 753 N TYR A 49 5.317 -3.497 3.101 1.00 0.00 N ATOM 754 CA TYR A 49 5.913 -2.324 2.485 1.00 0.00 C ATOM 755 C TYR A 49 5.215 -1.981 1.167 1.00 0.00 C ATOM 756 O TYR A 49 4.965 -2.862 0.346 1.00 0.00 O ATOM 757 CB TYR A 49 7.369 -2.692 2.196 1.00 0.00 C ATOM 758 CG TYR A 49 8.343 -2.305 3.311 1.00 0.00 C ATOM 759 CD1 TYR A 49 8.714 -0.986 3.476 1.00 0.00 C ATOM 760 CD2 TYR A 49 8.850 -3.275 4.152 1.00 0.00 C ATOM 761 CE1 TYR A 49 9.629 -0.622 4.527 1.00 0.00 C ATOM 762 CE2 TYR A 49 9.766 -2.911 5.202 1.00 0.00 C ATOM 763 CZ TYR A 49 10.110 -1.602 5.337 1.00 0.00 C ATOM 764 OH TYR A 49 10.975 -1.258 6.329 1.00 0.00 O ATOM 0 H TYR A 49 5.958 -4.278 3.241 1.00 0.00 H new ATOM 0 HA TYR A 49 5.823 -1.459 3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.435 -3.767 2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.679 -2.205 1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 49 8.318 -0.227 2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.560 -4.307 4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.926 0.407 4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.170 -3.660 5.867 1.00 0.00 H new ATOM 0 HH TYR A 49 11.235 -2.060 6.829 1.00 0.00 H new ATOM 774 N ILE A 50 4.921 -0.699 1.006 1.00 0.00 N ATOM 775 CA ILE A 50 4.257 -0.229 -0.198 1.00 0.00 C ATOM 776 C ILE A 50 4.492 1.274 -0.351 1.00 0.00 C ATOM 777 O ILE A 50 4.552 2.001 0.639 1.00 0.00 O ATOM 778 CB ILE A 50 2.778 -0.622 -0.183 1.00 0.00 C ATOM 779 CG1 ILE A 50 2.140 -0.413 -1.557 1.00 0.00 C ATOM 780 CG2 ILE A 50 2.025 0.125 0.919 1.00 0.00 C ATOM 781 CD1 ILE A 50 2.396 -1.614 -2.469 1.00 0.00 C ATOM 0 H ILE A 50 5.130 0.029 1.689 1.00 0.00 H new ATOM 0 HA ILE A 50 4.682 -0.710 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 50 2.709 -1.686 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.067 -0.260 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.544 0.489 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.976 -0.172 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.462 -0.119 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.100 1.199 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.932 -1.439 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.470 -1.749 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.969 -2.510 -2.019 1.00 0.00 H new ATOM 793 N PRO A 51 4.623 1.707 -1.634 1.00 0.00 N ATOM 794 CA PRO A 51 4.850 3.112 -1.929 1.00 0.00 C ATOM 795 C PRO A 51 3.528 3.843 -2.171 1.00 0.00 C ATOM 796 O PRO A 51 2.573 3.257 -2.680 1.00 0.00 O ATOM 797 CB PRO A 51 5.760 3.116 -3.147 1.00 0.00 C ATOM 798 CG PRO A 51 5.634 1.734 -3.765 1.00 0.00 C ATOM 799 CD PRO A 51 4.953 0.829 -2.752 1.00 0.00 C ATOM 0 HA PRO A 51 5.313 3.646 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.462 3.889 -3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.792 3.324 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.054 1.780 -4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.617 1.342 -4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.059 0.368 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.612 0.019 -2.439 1.00 0.00 H new ATOM 807 N SER A 52 3.512 5.113 -1.793 1.00 0.00 N ATOM 808 CA SER A 52 2.322 5.930 -1.963 1.00 0.00 C ATOM 809 C SER A 52 2.639 7.140 -2.844 1.00 0.00 C ATOM 810 O SER A 52 2.091 8.222 -2.639 1.00 0.00 O ATOM 811 CB SER A 52 1.773 6.388 -0.611 1.00 0.00 C ATOM 812 OG SER A 52 2.618 7.353 0.011 1.00 0.00 O ATOM 0 H SER A 52 4.304 5.596 -1.370 1.00 0.00 H new ATOM 0 HA SER A 52 1.558 5.325 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.779 6.813 -0.749 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.663 5.525 0.046 1.00 0.00 H new ATOM 0 HG SER A 52 2.596 7.229 0.983 1.00 0.00 H new ATOM 818 N ASN A 53 3.522 6.916 -3.806 1.00 0.00 N ATOM 819 CA ASN A 53 3.918 7.974 -4.720 1.00 0.00 C ATOM 820 C ASN A 53 3.097 7.865 -6.006 1.00 0.00 C ATOM 821 O ASN A 53 3.071 8.794 -6.811 1.00 0.00 O ATOM 822 CB ASN A 53 5.398 7.856 -5.091 1.00 0.00 C ATOM 823 CG ASN A 53 6.143 9.160 -4.799 1.00 0.00 C ATOM 824 OD1 ASN A 53 6.642 9.389 -3.710 1.00 0.00 O ATOM 825 ND2 ASN A 53 6.188 9.999 -5.830 1.00 0.00 N ATOM 0 H ASN A 53 3.975 6.017 -3.972 1.00 0.00 H new ATOM 0 HA ASN A 53 3.746 8.930 -4.225 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.853 7.040 -4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.493 7.608 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.662 10.897 -5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.749 9.744 -6.715 1.00 0.00 H new ATOM 832 N TYR A 54 2.447 6.721 -6.160 1.00 0.00 N ATOM 833 CA TYR A 54 1.628 6.479 -7.335 1.00 0.00 C ATOM 834 C TYR A 54 0.202 6.090 -6.939 1.00 0.00 C ATOM 835 O TYR A 54 -0.446 5.304 -7.628 1.00 0.00 O ATOM 836 CB TYR A 54 2.278 5.303 -8.068 1.00 0.00 C ATOM 837 CG TYR A 54 3.523 5.684 -8.873 1.00 0.00 C ATOM 838 CD1 TYR A 54 4.736 5.839 -8.235 1.00 0.00 C ATOM 839 CD2 TYR A 54 3.431 5.873 -10.237 1.00 0.00 C ATOM 840 CE1 TYR A 54 5.908 6.197 -8.992 1.00 0.00 C ATOM 841 CE2 TYR A 54 4.602 6.232 -10.995 1.00 0.00 C ATOM 842 CZ TYR A 54 5.782 6.376 -10.335 1.00 0.00 C ATOM 843 OH TYR A 54 6.888 6.715 -11.051 1.00 0.00 O ATOM 0 H TYR A 54 2.471 5.952 -5.491 1.00 0.00 H new ATOM 0 HA TYR A 54 1.569 7.376 -7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.549 4.539 -7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.545 4.857 -8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.807 5.692 -7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.481 5.752 -10.736 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.864 6.320 -8.505 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.544 6.383 -12.063 1.00 0.00 H new ATOM 0 HH TYR A 54 6.649 6.809 -11.997 1.00 0.00 H new ATOM 853 N VAL A 55 -0.246 6.659 -5.829 1.00 0.00 N ATOM 854 CA VAL A 55 -1.583 6.382 -5.332 1.00 0.00 C ATOM 855 C VAL A 55 -2.534 7.487 -5.798 1.00 0.00 C ATOM 856 O VAL A 55 -2.108 8.451 -6.431 1.00 0.00 O ATOM 857 CB VAL A 55 -1.552 6.220 -3.811 1.00 0.00 C ATOM 858 CG1 VAL A 55 -0.864 4.914 -3.412 1.00 0.00 C ATOM 859 CG2 VAL A 55 -0.879 7.422 -3.145 1.00 0.00 C ATOM 0 H VAL A 55 0.294 7.311 -5.260 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.955 5.441 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.582 6.176 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.856 4.824 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.406 4.071 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.161 4.914 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.870 7.281 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.145 7.513 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.432 8.329 -3.388 1.00 0.00 H new ATOM 869 N ALA A 56 -3.805 7.308 -5.466 1.00 0.00 N ATOM 870 CA ALA A 56 -4.819 8.278 -5.843 1.00 0.00 C ATOM 871 C ALA A 56 -5.807 8.449 -4.687 1.00 0.00 C ATOM 872 O ALA A 56 -6.870 7.829 -4.678 1.00 0.00 O ATOM 873 CB ALA A 56 -5.505 7.825 -7.134 1.00 0.00 C ATOM 0 H ALA A 56 -4.155 6.507 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.367 9.250 -6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.266 8.553 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.765 7.745 -7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.973 6.854 -6.976 1.00 0.00 H new ATOM 879 N PRO A 57 -5.412 9.315 -3.716 1.00 0.00 N ATOM 880 CA PRO A 57 -6.251 9.576 -2.559 1.00 0.00 C ATOM 881 C PRO A 57 -7.385 10.542 -2.910 1.00 0.00 C ATOM 882 O PRO A 57 -7.291 11.738 -2.641 1.00 0.00 O ATOM 883 CB PRO A 57 -5.307 10.126 -1.505 1.00 0.00 C ATOM 884 CG PRO A 57 -4.068 10.589 -2.254 1.00 0.00 C ATOM 885 CD PRO A 57 -4.128 10.005 -3.657 1.00 0.00 C ATOM 0 HA PRO A 57 -6.755 8.681 -2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.767 10.952 -0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.056 9.362 -0.769 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.031 11.678 -2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.165 10.258 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.063 10.786 -4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.301 9.318 -3.836 1.00 0.00 H new ATOM 893 N VAL A 58 -8.430 9.987 -3.505 1.00 0.00 N ATOM 894 CA VAL A 58 -9.580 10.784 -3.897 1.00 0.00 C ATOM 895 C VAL A 58 -10.632 10.732 -2.786 1.00 0.00 C ATOM 896 O VAL A 58 -10.414 10.107 -1.749 1.00 0.00 O ATOM 897 CB VAL A 58 -10.113 10.307 -5.249 1.00 0.00 C ATOM 898 CG1 VAL A 58 -9.226 10.802 -6.394 1.00 0.00 C ATOM 899 CG2 VAL A 58 -10.246 8.782 -5.278 1.00 0.00 C ATOM 0 H VAL A 58 -8.505 8.994 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.295 11.828 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.107 10.733 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.627 10.449 -7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.204 11.892 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.214 10.418 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.627 8.468 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.270 8.328 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.936 8.462 -4.497 1.00 0.00 H new ATOM 909 N ASP A 59 -11.750 11.395 -3.043 1.00 0.00 N ATOM 910 CA ASP A 59 -12.836 11.432 -2.079 1.00 0.00 C ATOM 911 C ASP A 59 -13.681 10.163 -2.221 1.00 0.00 C ATOM 912 O ASP A 59 -13.189 9.134 -2.680 1.00 0.00 O ATOM 913 CB ASP A 59 -13.747 12.637 -2.322 1.00 0.00 C ATOM 914 CG ASP A 59 -13.122 13.995 -2.000 1.00 0.00 C ATOM 915 OD1 ASP A 59 -12.094 14.378 -2.577 1.00 0.00 O ATOM 916 OD2 ASP A 59 -13.744 14.683 -1.102 1.00 0.00 O ATOM 0 H ASP A 59 -11.927 11.911 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.401 11.505 -1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.056 12.635 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.649 12.518 -1.722 1.00 0.00 H new TER 922 ASP A 59