USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 185 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 143 ASN : amide:sc= -0.0783 X(o=-0.078,f=0.03) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl -165:sc= -2.19 (180deg=-2.48!) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= -0.755 X(o=-0.76,f=-1.2) USER MOD Single : A 160 GLN : amide:sc= 1.33 K(o=1.3,f=-6.4!) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 43:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 10 N ASN A 143 -14.782 2.386 -4.365 1.00 0.00 N ATOM 11 CA ASN A 143 -13.471 2.574 -3.751 1.00 0.00 C ATOM 12 C ASN A 143 -13.070 1.308 -3.002 1.00 0.00 C ATOM 13 O ASN A 143 -11.953 1.183 -2.507 1.00 0.00 O ATOM 14 CB ASN A 143 -13.535 3.770 -2.787 1.00 0.00 C ATOM 15 CG ASN A 143 -12.181 4.208 -2.259 1.00 0.00 C ATOM 16 OD1 ASN A 143 -11.505 5.034 -2.874 1.00 0.00 O ATOM 17 ND2 ASN A 143 -11.787 3.686 -1.105 1.00 0.00 N ATOM 0 HA ASN A 143 -12.725 2.774 -4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -14.004 4.611 -3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -14.176 3.511 -1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -10.895 3.966 -0.696 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -12.376 3.004 -0.626 1.00 0.00 H new ATOM 24 N ASP A 144 -13.993 0.356 -2.974 1.00 0.00 N ATOM 25 CA ASP A 144 -13.874 -0.838 -2.146 1.00 0.00 C ATOM 26 C ASP A 144 -12.785 -1.777 -2.652 1.00 0.00 C ATOM 27 O ASP A 144 -12.777 -2.171 -3.822 1.00 0.00 O ATOM 28 CB ASP A 144 -15.209 -1.589 -2.124 1.00 0.00 C ATOM 29 CG ASP A 144 -16.393 -0.673 -1.895 1.00 0.00 C ATOM 30 OD1 ASP A 144 -16.738 -0.416 -0.725 1.00 0.00 O ATOM 31 OD2 ASP A 144 -16.993 -0.212 -2.892 1.00 0.00 O ATOM 0 H ASP A 144 -14.849 0.390 -3.527 1.00 0.00 H new ATOM 0 HA ASP A 144 -13.603 -0.512 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -15.340 -2.116 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -15.183 -2.345 -1.339 1.00 0.00 H new ATOM 36 N TYR A 145 -11.873 -2.127 -1.755 1.00 0.00 N ATOM 37 CA TYR A 145 -10.834 -3.108 -2.044 1.00 0.00 C ATOM 38 C TYR A 145 -10.750 -4.153 -0.937 1.00 0.00 C ATOM 39 O TYR A 145 -11.361 -5.217 -1.028 1.00 0.00 O ATOM 40 CB TYR A 145 -9.480 -2.430 -2.228 1.00 0.00 C ATOM 41 CG TYR A 145 -9.220 -1.958 -3.636 1.00 0.00 C ATOM 42 CD1 TYR A 145 -8.622 -2.793 -4.570 1.00 0.00 C ATOM 43 CD2 TYR A 145 -9.573 -0.679 -4.030 1.00 0.00 C ATOM 44 CE1 TYR A 145 -8.381 -2.362 -5.861 1.00 0.00 C ATOM 45 CE2 TYR A 145 -9.337 -0.240 -5.317 1.00 0.00 C ATOM 46 CZ TYR A 145 -8.740 -1.085 -6.229 1.00 0.00 C ATOM 47 OH TYR A 145 -8.503 -0.649 -7.512 1.00 0.00 O ATOM 0 H TYR A 145 -11.832 -1.742 -0.811 1.00 0.00 H new ATOM 0 HA TYR A 145 -11.100 -3.608 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -9.417 -1.577 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -8.693 -3.126 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -8.341 -3.795 -4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -10.041 -0.014 -3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -7.914 -3.023 -6.576 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -9.619 0.761 -5.609 1.00 0.00 H new ATOM 0 HH TYR A 145 -8.817 0.274 -7.607 1.00 0.00 H new ATOM 57 N GLU A 146 -10.006 -3.835 0.115 1.00 0.00 N ATOM 58 CA GLU A 146 -9.853 -4.740 1.245 1.00 0.00 C ATOM 59 C GLU A 146 -10.501 -4.149 2.494 1.00 0.00 C ATOM 60 O GLU A 146 -11.672 -4.397 2.773 1.00 0.00 O ATOM 61 CB GLU A 146 -8.367 -5.043 1.491 1.00 0.00 C ATOM 62 CG GLU A 146 -8.104 -5.926 2.701 1.00 0.00 C ATOM 63 CD GLU A 146 -8.893 -7.213 2.667 1.00 0.00 C ATOM 64 OE1 GLU A 146 -8.511 -8.125 1.911 1.00 0.00 O ATOM 65 OE2 GLU A 146 -9.902 -7.316 3.394 1.00 0.00 O ATOM 0 H GLU A 146 -9.499 -2.955 0.208 1.00 0.00 H new ATOM 0 HA GLU A 146 -10.358 -5.677 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -7.955 -5.527 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -7.832 -4.102 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -7.040 -6.158 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -8.354 -5.376 3.608 1.00 0.00 H new ATOM 72 N ASP A 147 -9.741 -3.356 3.232 1.00 0.00 N ATOM 73 CA ASP A 147 -10.252 -2.716 4.437 1.00 0.00 C ATOM 74 C ASP A 147 -11.006 -1.448 4.071 1.00 0.00 C ATOM 75 O ASP A 147 -11.940 -1.036 4.759 1.00 0.00 O ATOM 76 CB ASP A 147 -9.098 -2.400 5.391 1.00 0.00 C ATOM 77 CG ASP A 147 -9.554 -1.664 6.636 1.00 0.00 C ATOM 78 OD1 ASP A 147 -10.051 -2.325 7.573 1.00 0.00 O ATOM 79 OD2 ASP A 147 -9.403 -0.425 6.683 1.00 0.00 O ATOM 0 H ASP A 147 -8.767 -3.139 3.019 1.00 0.00 H new ATOM 0 HA ASP A 147 -10.940 -3.396 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -8.608 -3.329 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -8.355 -1.797 4.869 1.00 0.00 H new ATOM 84 N ARG A 148 -10.602 -0.859 2.958 1.00 0.00 N ATOM 85 CA ARG A 148 -11.206 0.357 2.447 1.00 0.00 C ATOM 86 C ARG A 148 -10.805 0.526 0.993 1.00 0.00 C ATOM 87 O ARG A 148 -11.595 0.287 0.088 1.00 0.00 O ATOM 88 CB ARG A 148 -10.763 1.574 3.277 1.00 0.00 C ATOM 89 CG ARG A 148 -11.072 2.912 2.623 1.00 0.00 C ATOM 90 CD ARG A 148 -10.548 4.071 3.455 1.00 0.00 C ATOM 91 NE ARG A 148 -10.141 5.204 2.624 1.00 0.00 N ATOM 92 CZ ARG A 148 -9.611 6.330 3.102 1.00 0.00 C ATOM 93 NH1 ARG A 148 -9.546 6.540 4.411 1.00 0.00 N ATOM 94 NH2 ARG A 148 -9.171 7.255 2.263 1.00 0.00 N ATOM 0 H ARG A 148 -9.840 -1.215 2.381 1.00 0.00 H new ATOM 0 HA ARG A 148 -12.291 0.285 2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -11.252 1.535 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -9.690 1.508 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -10.625 2.945 1.629 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -12.149 3.014 2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -11.320 4.393 4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -9.699 3.735 4.050 1.00 0.00 H new ATOM 0 HE ARG A 148 -10.271 5.128 1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -9.903 5.837 5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -9.139 7.404 4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -9.238 7.104 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -8.765 8.118 2.623 1.00 0.00 H new ATOM 108 N TYR A 149 -9.550 0.888 0.787 1.00 0.00 N ATOM 109 CA TYR A 149 -9.001 1.057 -0.546 1.00 0.00 C ATOM 110 C TYR A 149 -7.867 0.061 -0.730 1.00 0.00 C ATOM 111 O TYR A 149 -7.781 -0.947 -0.027 1.00 0.00 O ATOM 112 CB TYR A 149 -8.457 2.486 -0.711 1.00 0.00 C ATOM 113 CG TYR A 149 -8.579 3.100 -2.085 1.00 0.00 C ATOM 114 CD1 TYR A 149 -9.151 2.433 -3.157 1.00 0.00 C ATOM 115 CD2 TYR A 149 -8.103 4.379 -2.292 1.00 0.00 C ATOM 116 CE1 TYR A 149 -9.239 3.033 -4.401 1.00 0.00 C ATOM 117 CE2 TYR A 149 -8.183 4.988 -3.523 1.00 0.00 C ATOM 118 CZ TYR A 149 -8.754 4.311 -4.578 1.00 0.00 C ATOM 119 OH TYR A 149 -8.841 4.911 -5.812 1.00 0.00 O ATOM 0 H TYR A 149 -8.885 1.072 1.538 1.00 0.00 H new ATOM 0 HA TYR A 149 -9.779 0.887 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -8.975 3.132 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -7.404 2.484 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -9.533 1.432 -3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.657 4.915 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -9.685 2.502 -5.229 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -7.801 5.989 -3.661 1.00 0.00 H new ATOM 0 HH TYR A 149 -8.454 5.810 -5.766 1.00 0.00 H new ATOM 129 N TYR A 150 -6.988 0.388 -1.649 1.00 0.00 N ATOM 130 CA TYR A 150 -5.798 -0.395 -1.969 1.00 0.00 C ATOM 131 C TYR A 150 -4.734 -0.342 -0.862 1.00 0.00 C ATOM 132 O TYR A 150 -3.554 -0.577 -1.122 1.00 0.00 O ATOM 133 CB TYR A 150 -5.203 0.181 -3.257 1.00 0.00 C ATOM 134 CG TYR A 150 -4.722 1.628 -3.132 1.00 0.00 C ATOM 135 CD1 TYR A 150 -5.389 2.574 -2.335 1.00 0.00 C ATOM 136 CD2 TYR A 150 -3.585 2.048 -3.811 1.00 0.00 C ATOM 137 CE1 TYR A 150 -4.932 3.870 -2.231 1.00 0.00 C ATOM 138 CE2 TYR A 150 -3.126 3.349 -3.705 1.00 0.00 C ATOM 139 CZ TYR A 150 -3.804 4.254 -2.914 1.00 0.00 C ATOM 140 OH TYR A 150 -3.353 5.547 -2.807 1.00 0.00 O ATOM 0 H TYR A 150 -7.077 1.231 -2.217 1.00 0.00 H new ATOM 0 HA TYR A 150 -6.091 -1.439 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -4.365 -0.443 -3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -5.952 0.126 -4.047 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -6.276 2.280 -1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -3.050 1.346 -4.433 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -5.460 4.582 -1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -2.239 3.655 -4.240 1.00 0.00 H new ATOM 0 HH TYR A 150 -2.545 5.657 -3.350 1.00 0.00 H new ATOM 150 N ARG A 151 -5.147 -0.077 0.371 1.00 0.00 N ATOM 151 CA ARG A 151 -4.199 0.271 1.427 1.00 0.00 C ATOM 152 C ARG A 151 -3.403 -0.944 1.898 1.00 0.00 C ATOM 153 O ARG A 151 -2.306 -0.798 2.437 1.00 0.00 O ATOM 154 CB ARG A 151 -4.903 0.913 2.626 1.00 0.00 C ATOM 155 CG ARG A 151 -6.093 1.803 2.285 1.00 0.00 C ATOM 156 CD ARG A 151 -5.830 2.767 1.134 1.00 0.00 C ATOM 157 NE ARG A 151 -4.830 3.801 1.414 1.00 0.00 N ATOM 158 CZ ARG A 151 -5.062 4.900 2.144 1.00 0.00 C ATOM 159 NH1 ARG A 151 -6.116 4.976 2.949 1.00 0.00 N ATOM 160 NH2 ARG A 151 -4.203 5.910 2.103 1.00 0.00 N ATOM 0 H ARG A 151 -6.124 -0.095 0.665 1.00 0.00 H new ATOM 0 HA ARG A 151 -3.508 0.994 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -5.243 0.121 3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -4.174 1.505 3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -6.945 1.173 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -6.372 2.375 3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -5.506 2.194 0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -6.768 3.252 0.864 1.00 0.00 H new ATOM 0 HE ARG A 151 -3.895 3.675 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -6.763 4.190 3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -6.278 5.820 3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -3.370 5.848 1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -4.375 6.749 2.657 1.00 0.00 H new ATOM 174 N GLU A 152 -3.943 -2.138 1.685 1.00 0.00 N ATOM 175 CA GLU A 152 -3.257 -3.368 2.081 1.00 0.00 C ATOM 176 C GLU A 152 -2.275 -3.814 1.001 1.00 0.00 C ATOM 177 O GLU A 152 -1.876 -4.978 0.934 1.00 0.00 O ATOM 178 CB GLU A 152 -4.268 -4.473 2.379 1.00 0.00 C ATOM 179 CG GLU A 152 -5.048 -4.240 3.662 1.00 0.00 C ATOM 180 CD GLU A 152 -4.141 -4.005 4.851 1.00 0.00 C ATOM 181 OE1 GLU A 152 -3.567 -4.984 5.373 1.00 0.00 O ATOM 182 OE2 GLU A 152 -3.989 -2.835 5.265 1.00 0.00 O ATOM 0 H GLU A 152 -4.850 -2.284 1.242 1.00 0.00 H new ATOM 0 HA GLU A 152 -2.691 -3.165 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -4.966 -4.552 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -3.745 -5.427 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -5.705 -3.380 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -5.685 -5.102 3.859 1.00 0.00 H new ATOM 189 N ASN A 153 -1.893 -2.863 0.168 1.00 0.00 N ATOM 190 CA ASN A 153 -0.913 -3.080 -0.883 1.00 0.00 C ATOM 191 C ASN A 153 -0.058 -1.836 -1.010 1.00 0.00 C ATOM 192 O ASN A 153 1.161 -1.872 -0.871 1.00 0.00 O ATOM 193 CB ASN A 153 -1.624 -3.349 -2.208 1.00 0.00 C ATOM 194 CG ASN A 153 -0.664 -3.637 -3.352 1.00 0.00 C ATOM 195 OD1 ASN A 153 -0.238 -4.774 -3.551 1.00 0.00 O ATOM 196 ND2 ASN A 153 -0.337 -2.615 -4.130 1.00 0.00 N ATOM 0 H ASN A 153 -2.256 -1.911 0.201 1.00 0.00 H new ATOM 0 HA ASN A 153 -0.290 -3.940 -0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -2.299 -4.196 -2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -2.238 -2.486 -2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 153 0.287 -2.758 -4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -0.709 -1.686 -3.935 1.00 0.00 H new ATOM 203 N MET A 154 -0.741 -0.735 -1.264 1.00 0.00 N ATOM 204 CA MET A 154 -0.136 0.578 -1.355 1.00 0.00 C ATOM 205 C MET A 154 -0.996 1.549 -0.566 1.00 0.00 C ATOM 206 O MET A 154 -2.002 2.056 -1.058 1.00 0.00 O ATOM 207 CB MET A 154 -0.013 0.992 -2.831 1.00 0.00 C ATOM 208 CG MET A 154 0.272 2.472 -3.082 1.00 0.00 C ATOM 209 SD MET A 154 1.986 2.944 -2.779 1.00 0.00 S ATOM 210 CE MET A 154 1.986 3.171 -1.005 1.00 0.00 C ATOM 0 H MET A 154 -1.750 -0.730 -1.415 1.00 0.00 H new ATOM 0 HA MET A 154 0.870 0.575 -0.935 1.00 0.00 H new ATOM 0 HB2 MET A 154 0.783 0.405 -3.289 1.00 0.00 H new ATOM 0 HB3 MET A 154 -0.939 0.727 -3.342 1.00 0.00 H new ATOM 0 HG2 MET A 154 0.016 2.712 -4.114 1.00 0.00 H new ATOM 0 HG3 MET A 154 -0.378 3.071 -2.444 1.00 0.00 H new ATOM 0 HE1 MET A 154 2.884 3.713 -0.707 1.00 0.00 H new ATOM 0 HE2 MET A 154 1.104 3.741 -0.711 1.00 0.00 H new ATOM 0 HE3 MET A 154 1.970 2.198 -0.514 1.00 0.00 H new ATOM 220 N TYR A 155 -0.639 1.752 0.692 1.00 0.00 N ATOM 221 CA TYR A 155 -1.425 2.606 1.556 1.00 0.00 C ATOM 222 C TYR A 155 -1.182 4.062 1.188 1.00 0.00 C ATOM 223 O TYR A 155 -2.084 4.760 0.725 1.00 0.00 O ATOM 224 CB TYR A 155 -1.067 2.354 3.032 1.00 0.00 C ATOM 225 CG TYR A 155 -1.895 3.145 4.029 1.00 0.00 C ATOM 226 CD1 TYR A 155 -1.557 4.450 4.371 1.00 0.00 C ATOM 227 CD2 TYR A 155 -3.011 2.583 4.633 1.00 0.00 C ATOM 228 CE1 TYR A 155 -2.310 5.169 5.280 1.00 0.00 C ATOM 229 CE2 TYR A 155 -3.770 3.294 5.545 1.00 0.00 C ATOM 230 CZ TYR A 155 -3.415 4.586 5.864 1.00 0.00 C ATOM 231 OH TYR A 155 -4.169 5.300 6.768 1.00 0.00 O ATOM 0 H TYR A 155 0.184 1.339 1.131 1.00 0.00 H new ATOM 0 HA TYR A 155 -2.482 2.376 1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 155 -1.185 1.291 3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 155 -0.015 2.594 3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 155 -0.691 4.910 3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 155 -3.293 1.570 4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 155 -2.034 6.182 5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 155 -4.635 2.839 6.004 1.00 0.00 H new ATOM 0 HH TYR A 155 -4.912 4.745 7.085 1.00 0.00 H new ATOM 241 N ALA A 156 0.049 4.497 1.415 1.00 0.00 N ATOM 242 CA ALA A 156 0.498 5.837 1.074 1.00 0.00 C ATOM 243 C ALA A 156 2.006 5.903 1.251 1.00 0.00 C ATOM 244 O ALA A 156 2.745 6.294 0.352 1.00 0.00 O ATOM 245 CB ALA A 156 -0.191 6.868 1.948 1.00 0.00 C ATOM 0 H ALA A 156 0.772 3.921 1.847 1.00 0.00 H new ATOM 0 HA ALA A 156 0.242 6.059 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 156 0.158 7.865 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -1.269 6.808 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 156 0.043 6.673 2.995 1.00 0.00 H new ATOM 251 N TYR A 157 2.441 5.492 2.433 1.00 0.00 N ATOM 252 CA TYR A 157 3.857 5.392 2.759 1.00 0.00 C ATOM 253 C TYR A 157 4.443 4.052 2.320 1.00 0.00 C ATOM 254 O TYR A 157 5.467 4.021 1.642 1.00 0.00 O ATOM 255 CB TYR A 157 4.069 5.553 4.258 1.00 0.00 C ATOM 256 CG TYR A 157 3.901 6.966 4.753 1.00 0.00 C ATOM 257 CD1 TYR A 157 2.650 7.562 4.826 1.00 0.00 C ATOM 258 CD2 TYR A 157 5.005 7.702 5.150 1.00 0.00 C ATOM 259 CE1 TYR A 157 2.506 8.857 5.277 1.00 0.00 C ATOM 260 CE2 TYR A 157 4.869 8.999 5.603 1.00 0.00 C ATOM 261 CZ TYR A 157 3.618 9.569 5.666 1.00 0.00 C ATOM 262 OH TYR A 157 3.480 10.861 6.116 1.00 0.00 O ATOM 0 H TYR A 157 1.821 5.218 3.195 1.00 0.00 H new ATOM 0 HA TYR A 157 4.367 6.191 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 157 3.366 4.908 4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 157 5.071 5.207 4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 157 1.776 7.003 4.525 1.00 0.00 H new ATOM 0 HD2 TYR A 157 5.987 7.255 5.105 1.00 0.00 H new ATOM 0 HE1 TYR A 157 1.527 9.310 5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 157 5.739 9.563 5.906 1.00 0.00 H new ATOM 0 HH TYR A 157 4.360 11.221 6.352 1.00 0.00 H new ATOM 272 N PRO A 158 3.832 2.911 2.715 1.00 0.00 N ATOM 273 CA PRO A 158 4.369 1.605 2.367 1.00 0.00 C ATOM 274 C PRO A 158 4.148 1.256 0.906 1.00 0.00 C ATOM 275 O PRO A 158 3.206 0.547 0.556 1.00 0.00 O ATOM 276 CB PRO A 158 3.617 0.645 3.278 1.00 0.00 C ATOM 277 CG PRO A 158 2.315 1.314 3.531 1.00 0.00 C ATOM 278 CD PRO A 158 2.599 2.790 3.527 1.00 0.00 C ATOM 0 HA PRO A 158 5.450 1.565 2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 158 3.478 -0.326 2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 158 4.161 0.471 4.207 1.00 0.00 H new ATOM 0 HG2 PRO A 158 1.587 1.055 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 158 1.894 1.000 4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 158 1.775 3.355 3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 158 2.746 3.172 4.537 1.00 0.00 H new ATOM 286 N ASN A 159 4.997 1.811 0.059 1.00 0.00 N ATOM 287 CA ASN A 159 5.022 1.444 -1.344 1.00 0.00 C ATOM 288 C ASN A 159 5.567 0.037 -1.435 1.00 0.00 C ATOM 289 O ASN A 159 4.986 -0.836 -2.074 1.00 0.00 O ATOM 290 CB ASN A 159 5.912 2.408 -2.133 1.00 0.00 C ATOM 291 CG ASN A 159 5.424 3.845 -2.065 1.00 0.00 C ATOM 292 OD1 ASN A 159 4.689 4.305 -2.939 1.00 0.00 O ATOM 293 ND2 ASN A 159 5.825 4.560 -1.023 1.00 0.00 N ATOM 0 H ASN A 159 5.681 2.521 0.321 1.00 0.00 H new ATOM 0 HA ASN A 159 4.020 1.496 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 159 6.930 2.356 -1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 159 5.950 2.090 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 159 5.524 5.530 -0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 159 6.434 4.141 -0.321 1.00 0.00 H new ATOM 300 N GLN A 160 6.684 -0.165 -0.751 1.00 0.00 N ATOM 301 CA GLN A 160 7.278 -1.479 -0.587 1.00 0.00 C ATOM 302 C GLN A 160 8.025 -1.565 0.733 1.00 0.00 C ATOM 303 O GLN A 160 7.946 -2.572 1.423 1.00 0.00 O ATOM 304 CB GLN A 160 8.239 -1.801 -1.735 1.00 0.00 C ATOM 305 CG GLN A 160 7.541 -2.260 -3.005 1.00 0.00 C ATOM 306 CD GLN A 160 6.814 -3.580 -2.814 1.00 0.00 C ATOM 307 OE1 GLN A 160 7.381 -4.654 -3.025 1.00 0.00 O ATOM 308 NE2 GLN A 160 5.560 -3.508 -2.400 1.00 0.00 N ATOM 0 H GLN A 160 7.204 0.583 -0.293 1.00 0.00 H new ATOM 0 HA GLN A 160 6.468 -2.208 -0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 160 8.835 -0.916 -1.958 1.00 0.00 H new ATOM 0 HB3 GLN A 160 8.932 -2.578 -1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 160 6.830 -1.498 -3.323 1.00 0.00 H new ATOM 0 HG3 GLN A 160 8.275 -2.364 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 160 5.128 -2.598 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 160 5.025 -4.362 -2.243 1.00 0.00 H new ATOM 317 N VAL A 161 8.685 -0.476 1.105 1.00 0.00 N ATOM 318 CA VAL A 161 9.687 -0.501 2.170 1.00 0.00 C ATOM 319 C VAL A 161 9.079 -0.730 3.557 1.00 0.00 C ATOM 320 O VAL A 161 9.738 -1.261 4.442 1.00 0.00 O ATOM 321 CB VAL A 161 10.501 0.809 2.177 1.00 0.00 C ATOM 322 CG1 VAL A 161 11.710 0.696 3.088 1.00 0.00 C ATOM 323 CG2 VAL A 161 10.933 1.171 0.767 1.00 0.00 C ATOM 0 H VAL A 161 8.545 0.442 0.684 1.00 0.00 H new ATOM 0 HA VAL A 161 10.341 -1.346 1.955 1.00 0.00 H new ATOM 0 HB VAL A 161 9.861 1.602 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 161 12.265 1.634 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 161 11.381 0.485 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 161 12.353 -0.112 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 161 11.506 2.098 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 161 11.551 0.371 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 161 10.052 1.304 0.139 1.00 0.00 H new ATOM 333 N TYR A 162 7.834 -0.330 3.751 1.00 0.00 N ATOM 334 CA TYR A 162 7.152 -0.601 5.016 1.00 0.00 C ATOM 335 C TYR A 162 6.280 -1.835 4.870 1.00 0.00 C ATOM 336 O TYR A 162 5.735 -2.352 5.847 1.00 0.00 O ATOM 337 CB TYR A 162 6.271 0.576 5.441 1.00 0.00 C ATOM 338 CG TYR A 162 6.958 1.917 5.418 1.00 0.00 C ATOM 339 CD1 TYR A 162 7.655 2.390 6.518 1.00 0.00 C ATOM 340 CD2 TYR A 162 6.895 2.716 4.291 1.00 0.00 C ATOM 341 CE1 TYR A 162 8.272 3.623 6.491 1.00 0.00 C ATOM 342 CE2 TYR A 162 7.508 3.945 4.251 1.00 0.00 C ATOM 343 CZ TYR A 162 8.196 4.399 5.355 1.00 0.00 C ATOM 344 OH TYR A 162 8.814 5.630 5.321 1.00 0.00 O ATOM 0 H TYR A 162 7.277 0.177 3.063 1.00 0.00 H new ATOM 0 HA TYR A 162 7.915 -0.759 5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 162 5.402 0.617 4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 162 5.901 0.390 6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 162 7.716 1.784 7.410 1.00 0.00 H new ATOM 0 HD2 TYR A 162 6.353 2.367 3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 162 8.812 3.979 7.356 1.00 0.00 H new ATOM 0 HE2 TYR A 162 7.451 4.552 3.359 1.00 0.00 H new ATOM 0 HH TYR A 162 8.664 6.047 4.447 1.00 0.00 H new ATOM 354 N TYR A 163 6.150 -2.294 3.636 1.00 0.00 N ATOM 355 CA TYR A 163 5.224 -3.362 3.315 1.00 0.00 C ATOM 356 C TYR A 163 5.896 -4.738 3.347 1.00 0.00 C ATOM 357 O TYR A 163 5.413 -5.649 4.022 1.00 0.00 O ATOM 358 CB TYR A 163 4.586 -3.107 1.947 1.00 0.00 C ATOM 359 CG TYR A 163 3.449 -4.045 1.628 1.00 0.00 C ATOM 360 CD1 TYR A 163 2.269 -4.008 2.360 1.00 0.00 C ATOM 361 CD2 TYR A 163 3.556 -4.970 0.601 1.00 0.00 C ATOM 362 CE1 TYR A 163 1.227 -4.870 2.077 1.00 0.00 C ATOM 363 CE2 TYR A 163 2.520 -5.835 0.312 1.00 0.00 C ATOM 364 CZ TYR A 163 1.359 -5.781 1.051 1.00 0.00 C ATOM 365 OH TYR A 163 0.328 -6.646 0.766 1.00 0.00 O ATOM 0 H TYR A 163 6.678 -1.940 2.838 1.00 0.00 H new ATOM 0 HA TYR A 163 4.448 -3.368 4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 163 4.221 -2.081 1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 163 5.350 -3.200 1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 163 2.164 -3.294 3.163 1.00 0.00 H new ATOM 0 HD2 TYR A 163 4.464 -5.014 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.316 -4.830 2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 163 2.619 -6.551 -0.490 1.00 0.00 H new ATOM 0 HH TYR A 163 -0.523 -6.162 0.797 1.00 0.00 H new ATOM 375 N ARG A 164 7.002 -4.899 2.619 1.00 0.00 N ATOM 376 CA ARG A 164 7.671 -6.200 2.552 1.00 0.00 C ATOM 377 C ARG A 164 9.068 -6.163 3.196 1.00 0.00 C ATOM 378 O ARG A 164 9.307 -6.887 4.160 1.00 0.00 O ATOM 379 CB ARG A 164 7.735 -6.731 1.111 1.00 0.00 C ATOM 380 CG ARG A 164 6.371 -6.979 0.485 1.00 0.00 C ATOM 381 CD ARG A 164 6.480 -7.804 -0.789 1.00 0.00 C ATOM 382 NE ARG A 164 7.337 -7.173 -1.794 1.00 0.00 N ATOM 383 CZ ARG A 164 8.372 -7.782 -2.371 1.00 0.00 C ATOM 384 NH1 ARG A 164 8.680 -9.029 -2.042 1.00 0.00 N ATOM 385 NH2 ARG A 164 9.093 -7.143 -3.284 1.00 0.00 N ATOM 0 H ARG A 164 7.448 -4.159 2.076 1.00 0.00 H new ATOM 0 HA ARG A 164 7.066 -6.896 3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 164 8.282 -6.017 0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 164 8.303 -7.661 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.731 -7.496 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 164 5.894 -6.025 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.876 -8.790 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 164 5.485 -7.954 -1.207 1.00 0.00 H new ATOM 0 HE ARG A 164 7.130 -6.213 -2.068 1.00 0.00 H new ATOM 0 HH11 ARG A 164 8.124 -9.525 -1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 164 9.473 -9.492 -2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 164 8.855 -6.186 -3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 164 9.885 -7.609 -3.726 1.00 0.00 H new ATOM 399 N PRO A 165 10.027 -5.356 2.682 1.00 0.00 N ATOM 400 CA PRO A 165 11.335 -5.199 3.329 1.00 0.00 C ATOM 401 C PRO A 165 11.232 -4.423 4.642 1.00 0.00 C ATOM 402 O PRO A 165 10.148 -3.997 5.041 1.00 0.00 O ATOM 403 CB PRO A 165 12.171 -4.409 2.311 1.00 0.00 C ATOM 404 CG PRO A 165 11.388 -4.431 1.041 1.00 0.00 C ATOM 405 CD PRO A 165 9.952 -4.575 1.442 1.00 0.00 C ATOM 0 HA PRO A 165 11.772 -6.164 3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 165 12.338 -3.387 2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 165 13.152 -4.863 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 165 11.544 -3.515 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 165 11.700 -5.259 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 165 9.480 -3.606 1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 165 9.370 -5.089 0.677 1.00 0.00 H new