USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 347 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 231 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 235 ASN : amide:sc= 0.487 K(o=0.49,f=-1.3!) USER MOD Set 2.1: A 220 THR OG1 : rot -119:sc= -3.21 USER MOD Set 2.2: A 222 HIS : no HD1:sc= -5.26! C(o=-8.5!,f=-8.6!) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 206 ASN : amide:sc= -7.36! C(o=-7.4!,f=-10!) USER MOD Single : A 210 THR OG1 : rot 50:sc= 0.442 USER MOD Single : A 212 THR OG1 : rot -113:sc= -1.91! USER MOD Single : A 223 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 226 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.81) USER MOD Single : A 232 HIS :FLIP no HD1:sc= -1.48 F(o=-2.9!,f=-1.5) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 237 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 238 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 -3.242 -18.652 -8.840 1.00 1.00 N ATOM 2 CA GLY A 198 -3.086 -18.893 -7.377 1.00 1.00 C ATOM 3 C GLY A 198 -2.260 -17.765 -6.755 1.00 1.00 C ATOM 4 O GLY A 198 -1.047 -17.820 -6.718 1.00 1.00 O ATOM 0 HA2 GLY A 198 -4.065 -18.945 -6.901 1.00 1.00 H new ATOM 0 HA3 GLY A 198 -2.597 -19.852 -7.207 1.00 1.00 H new ATOM 10 N SER A 199 -2.906 -16.741 -6.268 1.00 1.00 N ATOM 11 CA SER A 199 -2.156 -15.610 -5.648 1.00 1.00 C ATOM 12 C SER A 199 -2.997 -14.958 -4.547 1.00 1.00 C ATOM 13 O SER A 199 -3.389 -13.812 -4.650 1.00 1.00 O ATOM 14 CB SER A 199 -1.909 -14.626 -6.790 1.00 1.00 C ATOM 15 OG SER A 199 -0.652 -13.992 -6.598 1.00 1.00 O ATOM 0 H SER A 199 -3.921 -16.638 -6.272 1.00 1.00 H new ATOM 0 HA SER A 199 -1.225 -15.936 -5.184 1.00 1.00 H new ATOM 0 HB2 SER A 199 -1.923 -15.149 -7.746 1.00 1.00 H new ATOM 0 HB3 SER A 199 -2.704 -13.881 -6.822 1.00 1.00 H new ATOM 0 HG SER A 199 -0.489 -13.361 -7.330 1.00 1.00 H new ATOM 21 N GLU A 200 -3.278 -15.678 -3.497 1.00 1.00 N ATOM 22 CA GLU A 200 -4.093 -15.099 -2.390 1.00 1.00 C ATOM 23 C GLU A 200 -3.492 -13.771 -1.928 1.00 1.00 C ATOM 24 O GLU A 200 -3.957 -12.706 -2.287 1.00 1.00 O ATOM 25 CB GLU A 200 -4.032 -16.138 -1.270 1.00 1.00 C ATOM 26 CG GLU A 200 -4.742 -15.595 -0.029 1.00 1.00 C ATOM 27 CD GLU A 200 -4.694 -16.644 1.086 1.00 1.00 C ATOM 28 OE1 GLU A 200 -3.643 -16.790 1.689 1.00 1.00 O ATOM 29 OE2 GLU A 200 -5.709 -17.281 1.316 1.00 1.00 O ATOM 0 H GLU A 200 -2.979 -16.643 -3.356 1.00 1.00 H new ATOM 0 HA GLU A 200 -5.118 -14.890 -2.696 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -4.503 -17.066 -1.595 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.994 -16.373 -1.034 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -4.264 -14.674 0.303 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -5.777 -15.349 -0.267 1.00 1.00 H new ATOM 36 N ALA A 201 -2.462 -13.824 -1.131 1.00 1.00 N ATOM 37 CA ALA A 201 -1.830 -12.565 -0.643 1.00 1.00 C ATOM 38 C ALA A 201 -1.418 -11.683 -1.824 1.00 1.00 C ATOM 39 O ALA A 201 -0.631 -12.077 -2.661 1.00 1.00 O ATOM 40 CB ALA A 201 -0.597 -13.019 0.141 1.00 1.00 C ATOM 0 H ALA A 201 -2.030 -14.685 -0.796 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.511 -11.974 -0.030 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -0.075 -12.147 0.535 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -0.906 -13.660 0.967 1.00 1.00 H new ATOM 0 HB3 ALA A 201 0.070 -13.574 -0.519 1.00 1.00 H new ATOM 46 N ARG A 202 -1.943 -10.490 -1.895 1.00 1.00 N ATOM 47 CA ARG A 202 -1.583 -9.581 -3.021 1.00 1.00 C ATOM 48 C ARG A 202 -0.145 -9.080 -2.859 1.00 1.00 C ATOM 49 O ARG A 202 0.572 -9.496 -1.970 1.00 1.00 O ATOM 50 CB ARG A 202 -2.569 -8.417 -2.919 1.00 1.00 C ATOM 51 CG ARG A 202 -3.387 -8.320 -4.210 1.00 1.00 C ATOM 52 CD ARG A 202 -4.208 -9.599 -4.392 1.00 1.00 C ATOM 53 NE ARG A 202 -3.778 -10.144 -5.709 1.00 1.00 N ATOM 54 CZ ARG A 202 -4.607 -10.145 -6.717 1.00 1.00 C ATOM 55 NH1 ARG A 202 -5.007 -9.015 -7.235 1.00 1.00 N ATOM 56 NH2 ARG A 202 -5.035 -11.276 -7.207 1.00 1.00 N ATOM 0 H ARG A 202 -2.606 -10.105 -1.222 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.638 -10.080 -3.988 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.232 -8.563 -2.067 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.030 -7.485 -2.747 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.048 -7.454 -4.170 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -2.724 -8.176 -5.063 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.016 -10.310 -3.588 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.277 -9.387 -4.382 1.00 1.00 H new ATOM 0 HE ARG A 202 -2.835 -10.517 -5.824 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -4.672 -8.131 -6.852 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -5.655 -9.016 -8.023 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -4.722 -12.158 -6.802 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -5.683 -11.278 -7.995 1.00 1.00 H new ATOM 70 N GLU A 203 0.281 -8.184 -3.709 1.00 1.00 N ATOM 71 CA GLU A 203 1.671 -7.650 -3.602 1.00 1.00 C ATOM 72 C GLU A 203 1.635 -6.127 -3.459 1.00 1.00 C ATOM 73 O GLU A 203 1.253 -5.417 -4.369 1.00 1.00 O ATOM 74 CB GLU A 203 2.355 -8.052 -4.909 1.00 1.00 C ATOM 75 CG GLU A 203 3.363 -9.170 -4.635 1.00 1.00 C ATOM 76 CD GLU A 203 3.894 -9.715 -5.961 1.00 1.00 C ATOM 77 OE1 GLU A 203 3.191 -9.603 -6.951 1.00 1.00 O ATOM 78 OE2 GLU A 203 4.999 -10.233 -5.965 1.00 1.00 O ATOM 0 H GLU A 203 -0.273 -7.798 -4.473 1.00 1.00 H new ATOM 0 HA GLU A 203 2.200 -8.041 -2.733 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.612 -8.387 -5.633 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.861 -7.191 -5.347 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.186 -8.791 -4.030 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.889 -9.969 -4.065 1.00 1.00 H new ATOM 85 N CYS A 204 2.026 -5.620 -2.323 1.00 1.00 N ATOM 86 CA CYS A 204 2.012 -4.148 -2.114 1.00 1.00 C ATOM 87 C CYS A 204 2.728 -3.435 -3.262 1.00 1.00 C ATOM 88 O CYS A 204 3.926 -3.550 -3.428 1.00 1.00 O ATOM 89 CB CYS A 204 2.762 -3.939 -0.806 1.00 1.00 C ATOM 90 SG CYS A 204 2.674 -2.200 -0.331 1.00 1.00 S ATOM 0 H CYS A 204 2.356 -6.166 -1.527 1.00 1.00 H new ATOM 0 HA CYS A 204 1.000 -3.745 -2.081 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.330 -4.563 -0.023 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.802 -4.244 -0.919 1.00 1.00 H new ATOM 95 N VAL A 205 2.004 -2.690 -4.045 1.00 1.00 N ATOM 96 CA VAL A 205 2.636 -1.954 -5.177 1.00 1.00 C ATOM 97 C VAL A 205 3.840 -1.141 -4.687 1.00 1.00 C ATOM 98 O VAL A 205 4.662 -0.702 -5.468 1.00 1.00 O ATOM 99 CB VAL A 205 1.540 -1.022 -5.693 1.00 1.00 C ATOM 100 CG1 VAL A 205 1.182 -0.008 -4.606 1.00 1.00 C ATOM 101 CG2 VAL A 205 2.042 -0.281 -6.934 1.00 1.00 C ATOM 0 H VAL A 205 0.997 -2.557 -3.951 1.00 1.00 H new ATOM 0 HA VAL A 205 3.007 -2.628 -5.950 1.00 1.00 H new ATOM 0 HB VAL A 205 0.657 -1.607 -5.951 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.400 0.658 -4.972 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.825 -0.534 -3.721 1.00 1.00 H new ATOM 0 HG13 VAL A 205 2.065 0.577 -4.349 1.00 1.00 H new ATOM 0 HG21 VAL A 205 1.260 0.384 -7.302 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.924 0.305 -6.676 1.00 1.00 H new ATOM 0 HG23 VAL A 205 2.299 -1.003 -7.709 1.00 1.00 H new ATOM 111 N ASN A 206 3.938 -0.909 -3.404 1.00 1.00 N ATOM 112 CA ASN A 206 5.072 -0.099 -2.880 1.00 1.00 C ATOM 113 C ASN A 206 6.214 -0.978 -2.351 1.00 1.00 C ATOM 114 O ASN A 206 7.345 -0.848 -2.779 1.00 1.00 O ATOM 115 CB ASN A 206 4.467 0.723 -1.743 1.00 1.00 C ATOM 116 CG ASN A 206 3.949 2.051 -2.294 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.852 2.467 -1.981 1.00 1.00 O ATOM 118 ND2 ASN A 206 4.700 2.742 -3.109 1.00 1.00 N ATOM 0 H ASN A 206 3.282 -1.246 -2.699 1.00 1.00 H new ATOM 0 HA ASN A 206 5.512 0.517 -3.664 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.654 0.170 -1.273 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.216 0.904 -0.972 1.00 1.00 H new ATOM 0 HD21 ASN A 206 4.365 3.630 -3.482 1.00 1.00 H new ATOM 0 HD22 ASN A 206 5.622 2.393 -3.373 1.00 1.00 H new ATOM 125 N CYS A 207 5.952 -1.843 -1.405 1.00 1.00 N ATOM 126 CA CYS A 207 7.056 -2.671 -0.853 1.00 1.00 C ATOM 127 C CYS A 207 6.832 -4.172 -1.117 1.00 1.00 C ATOM 128 O CYS A 207 7.638 -4.998 -0.736 1.00 1.00 O ATOM 129 CB CYS A 207 7.058 -2.334 0.641 1.00 1.00 C ATOM 130 SG CYS A 207 5.783 -3.273 1.516 1.00 1.00 S ATOM 0 H CYS A 207 5.032 -2.008 -0.997 1.00 1.00 H new ATOM 0 HA CYS A 207 8.017 -2.457 -1.322 1.00 1.00 H new ATOM 0 HB2 CYS A 207 8.036 -2.557 1.067 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.887 -1.266 0.777 1.00 1.00 H new ATOM 135 N GLY A 208 5.767 -4.527 -1.785 1.00 1.00 N ATOM 136 CA GLY A 208 5.518 -5.973 -2.094 1.00 1.00 C ATOM 137 C GLY A 208 5.103 -6.730 -0.832 1.00 1.00 C ATOM 138 O GLY A 208 5.055 -7.943 -0.810 1.00 1.00 O ATOM 0 H GLY A 208 5.057 -3.882 -2.131 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.737 -6.060 -2.850 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.419 -6.421 -2.514 1.00 1.00 H new ATOM 142 N ALA A 209 4.803 -6.024 0.215 1.00 1.00 N ATOM 143 CA ALA A 209 4.386 -6.686 1.481 1.00 1.00 C ATOM 144 C ALA A 209 3.284 -7.711 1.206 1.00 1.00 C ATOM 145 O ALA A 209 2.159 -7.358 0.911 1.00 1.00 O ATOM 146 CB ALA A 209 3.858 -5.547 2.351 1.00 1.00 C ATOM 0 H ALA A 209 4.828 -5.005 0.251 1.00 1.00 H new ATOM 0 HA ALA A 209 5.202 -7.227 1.960 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.526 -5.945 3.310 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.651 -4.817 2.516 1.00 1.00 H new ATOM 0 HB3 ALA A 209 3.019 -5.064 1.849 1.00 1.00 H new ATOM 152 N THR A 210 3.594 -8.974 1.304 1.00 1.00 N ATOM 153 CA THR A 210 2.559 -10.016 1.049 1.00 1.00 C ATOM 154 C THR A 210 2.086 -10.627 2.372 1.00 1.00 C ATOM 155 O THR A 210 1.598 -11.739 2.415 1.00 1.00 O ATOM 156 CB THR A 210 3.260 -11.070 0.194 1.00 1.00 C ATOM 157 OG1 THR A 210 3.787 -10.457 -0.974 1.00 1.00 O ATOM 158 CG2 THR A 210 2.255 -12.151 -0.200 1.00 1.00 C ATOM 0 H THR A 210 4.518 -9.330 1.549 1.00 1.00 H new ATOM 0 HA THR A 210 1.678 -9.609 0.553 1.00 1.00 H new ATOM 0 HB THR A 210 4.074 -11.522 0.762 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.298 -9.659 -0.723 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.752 -12.905 -0.810 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.853 -12.619 0.699 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.442 -11.701 -0.770 1.00 1.00 H new ATOM 166 N ALA A 211 2.224 -9.904 3.449 1.00 1.00 N ATOM 167 CA ALA A 211 1.780 -10.436 4.772 1.00 1.00 C ATOM 168 C ALA A 211 0.948 -9.383 5.512 1.00 1.00 C ATOM 169 O ALA A 211 0.973 -9.297 6.722 1.00 1.00 O ATOM 170 CB ALA A 211 3.073 -10.725 5.536 1.00 1.00 C ATOM 0 H ALA A 211 2.625 -8.967 3.472 1.00 1.00 H new ATOM 0 HA ALA A 211 1.156 -11.324 4.672 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.832 -11.121 6.523 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.665 -11.457 4.986 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.645 -9.804 5.644 1.00 1.00 H new ATOM 176 N THR A 212 0.214 -8.580 4.789 1.00 1.00 N ATOM 177 CA THR A 212 -0.618 -7.531 5.447 1.00 1.00 C ATOM 178 C THR A 212 -2.003 -8.087 5.790 1.00 1.00 C ATOM 179 O THR A 212 -2.474 -9.013 5.159 1.00 1.00 O ATOM 180 CB THR A 212 -0.729 -6.414 4.407 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.629 -5.418 4.874 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.244 -6.993 3.087 1.00 1.00 C ATOM 0 H THR A 212 0.155 -8.605 3.771 1.00 1.00 H new ATOM 0 HA THR A 212 -0.181 -7.180 6.382 1.00 1.00 H new ATOM 0 HB THR A 212 0.253 -5.968 4.247 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.430 -5.411 4.310 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.323 -6.197 2.347 1.00 1.00 H new ATOM 0 HG22 THR A 212 -0.551 -7.754 2.729 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.225 -7.441 3.244 1.00 1.00 H new ATOM 190 N PRO A 213 -2.612 -7.498 6.784 1.00 1.00 N ATOM 191 CA PRO A 213 -3.962 -7.937 7.221 1.00 1.00 C ATOM 192 C PRO A 213 -5.017 -7.545 6.182 1.00 1.00 C ATOM 193 O PRO A 213 -5.764 -8.374 5.701 1.00 1.00 O ATOM 194 CB PRO A 213 -4.176 -7.182 8.531 1.00 1.00 C ATOM 195 CG PRO A 213 -3.292 -5.982 8.433 1.00 1.00 C ATOM 196 CD PRO A 213 -2.110 -6.379 7.587 1.00 1.00 C ATOM 0 HA PRO A 213 -4.045 -9.017 7.339 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.220 -6.894 8.655 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.911 -7.799 9.390 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.825 -5.145 7.983 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.968 -5.659 9.422 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.774 -5.555 6.958 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.261 -6.678 8.202 1.00 1.00 H new ATOM 204 N LEU A 214 -5.088 -6.290 5.832 1.00 1.00 N ATOM 205 CA LEU A 214 -6.099 -5.852 4.826 1.00 1.00 C ATOM 206 C LEU A 214 -5.412 -5.133 3.662 1.00 1.00 C ATOM 207 O LEU A 214 -4.438 -4.430 3.841 1.00 1.00 O ATOM 208 CB LEU A 214 -7.022 -4.894 5.581 1.00 1.00 C ATOM 209 CG LEU A 214 -8.014 -4.266 4.601 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.254 -5.154 4.491 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.424 -2.881 5.109 1.00 1.00 C ATOM 0 H LEU A 214 -4.491 -5.549 6.198 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.647 -6.692 4.399 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.558 -5.430 6.365 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.435 -4.116 6.070 1.00 1.00 H new ATOM 0 HG LEU A 214 -7.546 -4.172 3.621 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -9.961 -4.707 3.793 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.964 -6.141 4.131 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.722 -5.248 5.471 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.131 -2.432 4.411 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.892 -2.977 6.089 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.541 -2.247 5.189 1.00 1.00 H new ATOM 223 N TRP A 215 -5.910 -5.307 2.466 1.00 1.00 N ATOM 224 CA TRP A 215 -5.284 -4.640 1.290 1.00 1.00 C ATOM 225 C TRP A 215 -6.087 -3.401 0.878 1.00 1.00 C ATOM 226 O TRP A 215 -5.713 -2.282 1.169 1.00 1.00 O ATOM 227 CB TRP A 215 -5.326 -5.687 0.179 1.00 1.00 C ATOM 228 CG TRP A 215 -4.310 -6.751 0.449 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.542 -7.884 1.151 1.00 1.00 C ATOM 230 CD2 TRP A 215 -2.915 -6.802 0.036 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.377 -8.628 1.194 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.345 -8.004 0.520 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.095 -5.932 -0.706 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.012 -8.332 0.276 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.751 -6.259 -0.953 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.212 -7.456 -0.463 1.00 1.00 C ATOM 0 H TRP A 215 -6.724 -5.883 2.254 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.271 -4.301 1.506 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.321 -6.128 0.119 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.127 -5.217 -0.784 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.482 -8.162 1.603 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.290 -9.528 1.666 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.501 -5.007 -1.088 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.601 -9.256 0.655 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.130 -5.584 -1.524 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.822 -7.702 -0.656 1.00 1.00 H new ATOM 247 N ARG A 216 -7.181 -3.593 0.192 1.00 1.00 N ATOM 248 CA ARG A 216 -8.003 -2.429 -0.252 1.00 1.00 C ATOM 249 C ARG A 216 -7.249 -1.643 -1.329 1.00 1.00 C ATOM 250 O ARG A 216 -6.036 -1.585 -1.331 1.00 1.00 O ATOM 251 CB ARG A 216 -8.202 -1.570 0.999 1.00 1.00 C ATOM 252 CG ARG A 216 -9.568 -0.884 0.933 1.00 1.00 C ATOM 253 CD ARG A 216 -10.666 -1.901 1.256 1.00 1.00 C ATOM 254 NE ARG A 216 -11.507 -1.242 2.294 1.00 1.00 N ATOM 255 CZ ARG A 216 -12.779 -1.049 2.078 1.00 1.00 C ATOM 256 NH1 ARG A 216 -13.194 -0.682 0.896 1.00 1.00 N ATOM 257 NH2 ARG A 216 -13.638 -1.222 3.046 1.00 1.00 N ATOM 0 H ARG A 216 -7.542 -4.507 -0.081 1.00 1.00 H new ATOM 0 HA ARG A 216 -8.956 -2.737 -0.682 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -8.137 -2.190 1.893 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -7.411 -0.823 1.070 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -9.605 -0.056 1.640 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.728 -0.463 -0.060 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -11.252 -2.145 0.370 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -10.243 -2.835 1.625 1.00 1.00 H new ATOM 0 HE ARG A 216 -11.088 -0.941 3.174 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -12.523 -0.546 0.140 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -14.189 -0.532 0.729 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -13.314 -1.508 3.970 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -14.633 -1.071 2.878 1.00 1.00 H new ATOM 271 N ARG A 217 -7.955 -1.045 -2.251 1.00 1.00 N ATOM 272 CA ARG A 217 -7.269 -0.273 -3.324 1.00 1.00 C ATOM 273 C ARG A 217 -7.354 1.227 -3.043 1.00 1.00 C ATOM 274 O ARG A 217 -7.900 1.656 -2.046 1.00 1.00 O ATOM 275 CB ARG A 217 -8.025 -0.618 -4.605 1.00 1.00 C ATOM 276 CG ARG A 217 -7.598 -2.003 -5.098 1.00 1.00 C ATOM 277 CD ARG A 217 -8.681 -2.579 -6.014 1.00 1.00 C ATOM 278 NE ARG A 217 -8.072 -2.589 -7.375 1.00 1.00 N ATOM 279 CZ ARG A 217 -8.102 -3.676 -8.096 1.00 1.00 C ATOM 280 NH1 ARG A 217 -9.194 -4.012 -8.728 1.00 1.00 N ATOM 281 NH2 ARG A 217 -7.041 -4.429 -8.187 1.00 1.00 N ATOM 0 H ARG A 217 -8.973 -1.058 -2.307 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.210 -0.521 -3.392 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -9.099 -0.602 -4.420 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.822 0.130 -5.371 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.652 -1.933 -5.636 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.434 -2.667 -4.250 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.968 -3.584 -5.703 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.584 -1.968 -5.990 1.00 1.00 H new ATOM 0 HE ARG A 217 -7.632 -1.746 -7.743 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.025 -3.424 -8.658 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -9.216 -4.862 -9.291 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -6.187 -4.168 -7.694 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -7.065 -5.279 -8.751 1.00 1.00 H new ATOM 295 N ASP A 218 -6.812 2.027 -3.918 1.00 1.00 N ATOM 296 CA ASP A 218 -6.848 3.499 -3.715 1.00 1.00 C ATOM 297 C ASP A 218 -7.435 4.185 -4.953 1.00 1.00 C ATOM 298 O ASP A 218 -8.107 3.568 -5.756 1.00 1.00 O ATOM 299 CB ASP A 218 -5.385 3.898 -3.521 1.00 1.00 C ATOM 300 CG ASP A 218 -4.506 3.161 -4.532 1.00 1.00 C ATOM 301 OD1 ASP A 218 -5.037 2.707 -5.530 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.313 3.066 -4.290 1.00 1.00 O ATOM 0 H ASP A 218 -6.343 1.721 -4.770 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.468 3.791 -2.867 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.273 4.975 -3.646 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.065 3.660 -2.506 1.00 1.00 H new ATOM 307 N ARG A 219 -7.190 5.457 -5.111 1.00 1.00 N ATOM 308 CA ARG A 219 -7.738 6.181 -6.294 1.00 1.00 C ATOM 309 C ARG A 219 -7.275 5.518 -7.591 1.00 1.00 C ATOM 310 O ARG A 219 -7.975 5.526 -8.584 1.00 1.00 O ATOM 311 CB ARG A 219 -7.160 7.591 -6.197 1.00 1.00 C ATOM 312 CG ARG A 219 -8.300 8.601 -6.057 1.00 1.00 C ATOM 313 CD ARG A 219 -8.687 8.741 -4.582 1.00 1.00 C ATOM 314 NE ARG A 219 -9.755 9.778 -4.562 1.00 1.00 N ATOM 315 CZ ARG A 219 -10.729 9.697 -3.695 1.00 1.00 C ATOM 316 NH1 ARG A 219 -11.738 8.902 -3.920 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.695 10.414 -2.605 1.00 1.00 N ATOM 0 H ARG A 219 -6.634 6.026 -4.473 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.828 6.177 -6.303 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.489 7.662 -5.341 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.568 7.815 -7.085 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.993 9.568 -6.456 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -9.161 8.275 -6.640 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.047 7.795 -4.177 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.832 9.043 -3.976 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.726 10.552 -5.226 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -11.767 8.343 -4.773 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -12.498 8.839 -3.243 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -9.908 11.038 -2.430 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -11.456 10.350 -1.929 1.00 1.00 H new ATOM 331 N THR A 220 -6.100 4.954 -7.598 1.00 1.00 N ATOM 332 CA THR A 220 -5.600 4.306 -8.842 1.00 1.00 C ATOM 333 C THR A 220 -6.024 2.835 -8.885 1.00 1.00 C ATOM 334 O THR A 220 -6.489 2.343 -9.893 1.00 1.00 O ATOM 335 CB THR A 220 -4.077 4.426 -8.769 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.602 3.724 -7.629 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.687 5.901 -8.665 1.00 1.00 C ATOM 0 H THR A 220 -5.466 4.914 -6.800 1.00 1.00 H new ATOM 0 HA THR A 220 -6.002 4.775 -9.740 1.00 1.00 H new ATOM 0 HB THR A 220 -3.633 3.998 -9.668 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.145 4.348 -7.027 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.602 5.988 -8.613 1.00 1.00 H new ATOM 0 HG22 THR A 220 -4.052 6.437 -9.541 1.00 1.00 H new ATOM 0 HG23 THR A 220 -4.129 6.332 -7.766 1.00 1.00 H new ATOM 345 N GLY A 221 -5.869 2.132 -7.798 1.00 1.00 N ATOM 346 CA GLY A 221 -6.266 0.702 -7.777 1.00 1.00 C ATOM 347 C GLY A 221 -5.083 -0.164 -7.337 1.00 1.00 C ATOM 348 O GLY A 221 -5.020 -1.339 -7.639 1.00 1.00 O ATOM 0 H GLY A 221 -5.484 2.489 -6.924 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.105 0.559 -7.096 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -6.603 0.395 -8.767 1.00 1.00 H new ATOM 352 N HIS A 222 -4.148 0.399 -6.623 1.00 1.00 N ATOM 353 CA HIS A 222 -2.980 -0.407 -6.165 1.00 1.00 C ATOM 354 C HIS A 222 -3.351 -1.187 -4.900 1.00 1.00 C ATOM 355 O HIS A 222 -4.403 -0.990 -4.327 1.00 1.00 O ATOM 356 CB HIS A 222 -1.876 0.610 -5.876 1.00 1.00 C ATOM 357 CG HIS A 222 -1.700 1.514 -7.066 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.264 1.231 -8.300 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.023 2.698 -7.226 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.920 2.225 -9.141 1.00 1.00 C ATOM 361 NE2 HIS A 222 -1.164 3.144 -8.536 1.00 1.00 N ATOM 0 H HIS A 222 -4.141 1.378 -6.337 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.662 -1.138 -6.908 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.131 1.198 -4.994 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -0.941 0.095 -5.656 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.466 3.206 -6.452 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -2.219 2.273 -10.178 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.773 3.992 -8.947 1.00 1.00 H new ATOM 369 N TYR A 223 -2.503 -2.076 -4.464 1.00 1.00 N ATOM 370 CA TYR A 223 -2.821 -2.871 -3.242 1.00 1.00 C ATOM 371 C TYR A 223 -1.746 -2.678 -2.168 1.00 1.00 C ATOM 372 O TYR A 223 -1.067 -3.612 -1.791 1.00 1.00 O ATOM 373 CB TYR A 223 -2.844 -4.324 -3.717 1.00 1.00 C ATOM 374 CG TYR A 223 -4.245 -4.701 -4.134 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.324 -4.412 -3.290 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.465 -5.344 -5.358 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.624 -4.765 -3.672 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.765 -5.698 -5.737 1.00 1.00 C ATOM 379 CZ TYR A 223 -6.845 -5.408 -4.894 1.00 1.00 C ATOM 380 OH TYR A 223 -8.126 -5.757 -5.268 1.00 1.00 O ATOM 0 H TYR A 223 -1.605 -2.287 -4.899 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.766 -2.565 -2.792 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.158 -4.454 -4.554 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.502 -4.983 -2.919 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.154 -3.917 -2.345 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.633 -5.567 -6.009 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.457 -4.540 -3.022 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -5.935 -6.195 -6.680 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.103 -6.194 -6.145 1.00 1.00 H new ATOM 390 N LEU A 224 -1.590 -1.483 -1.662 1.00 1.00 N ATOM 391 CA LEU A 224 -0.558 -1.259 -0.607 1.00 1.00 C ATOM 392 C LEU A 224 -0.743 -2.272 0.527 1.00 1.00 C ATOM 393 O LEU A 224 -1.703 -3.017 0.554 1.00 1.00 O ATOM 394 CB LEU A 224 -0.798 0.163 -0.095 1.00 1.00 C ATOM 395 CG LEU A 224 0.426 1.030 -0.396 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.592 1.169 -1.911 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.232 2.415 0.223 1.00 1.00 C ATOM 0 H LEU A 224 -2.127 -0.659 -1.931 1.00 1.00 H new ATOM 0 HA LEU A 224 0.454 -1.382 -0.992 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.682 0.587 -0.570 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.990 0.147 0.978 1.00 1.00 H new ATOM 0 HG LEU A 224 1.316 0.563 0.026 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.464 1.787 -2.126 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.728 0.182 -2.354 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.297 1.637 -2.333 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.103 3.034 0.010 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.657 2.882 -0.201 1.00 1.00 H new ATOM 0 HD23 LEU A 224 0.112 2.318 1.302 1.00 1.00 H new ATOM 409 N CYS A 225 0.165 -2.307 1.464 1.00 1.00 N ATOM 410 CA CYS A 225 0.037 -3.274 2.592 1.00 1.00 C ATOM 411 C CYS A 225 -0.355 -2.541 3.879 1.00 1.00 C ATOM 412 O CYS A 225 0.133 -2.845 4.949 1.00 1.00 O ATOM 413 CB CYS A 225 1.424 -3.902 2.737 1.00 1.00 C ATOM 414 SG CYS A 225 2.581 -2.668 3.382 1.00 1.00 S ATOM 0 H CYS A 225 0.990 -1.708 1.497 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.733 -4.023 2.406 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.378 -4.759 3.409 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.770 -4.271 1.772 1.00 1.00 H new ATOM 419 N ASN A 226 -1.231 -1.578 3.784 1.00 1.00 N ATOM 420 CA ASN A 226 -1.653 -0.830 5.005 1.00 1.00 C ATOM 421 C ASN A 226 -0.490 0.013 5.541 1.00 1.00 C ATOM 422 O ASN A 226 -0.593 1.217 5.671 1.00 1.00 O ATOM 423 CB ASN A 226 -2.048 -1.909 6.016 1.00 1.00 C ATOM 424 CG ASN A 226 -3.417 -1.575 6.615 1.00 1.00 C ATOM 425 OD1 ASN A 226 -4.301 -1.115 5.919 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.631 -1.792 7.884 1.00 1.00 N ATOM 0 H ASN A 226 -1.673 -1.276 2.916 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.474 -0.142 4.803 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.081 -2.884 5.529 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.300 -1.973 6.806 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.540 -1.576 8.292 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.889 -2.178 8.468 1.00 1.00 H new ATOM 433 N ALA A 227 0.615 -0.608 5.856 1.00 1.00 N ATOM 434 CA ALA A 227 1.777 0.162 6.386 1.00 1.00 C ATOM 435 C ALA A 227 2.192 1.253 5.398 1.00 1.00 C ATOM 436 O ALA A 227 2.425 2.386 5.768 1.00 1.00 O ATOM 437 CB ALA A 227 2.898 -0.868 6.547 1.00 1.00 C ATOM 0 H ALA A 227 0.763 -1.613 5.769 1.00 1.00 H new ATOM 0 HA ALA A 227 1.542 0.661 7.326 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.791 -0.377 6.934 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.581 -1.645 7.242 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.122 -1.316 5.579 1.00 1.00 H new ATOM 443 N CYS A 228 2.284 0.918 4.143 1.00 1.00 N ATOM 444 CA CYS A 228 2.684 1.933 3.127 1.00 1.00 C ATOM 445 C CYS A 228 1.583 2.982 2.966 1.00 1.00 C ATOM 446 O CYS A 228 1.813 4.069 2.475 1.00 1.00 O ATOM 447 CB CYS A 228 2.859 1.147 1.837 1.00 1.00 C ATOM 448 SG CYS A 228 4.421 0.233 1.893 1.00 1.00 S ATOM 0 H CYS A 228 2.100 -0.015 3.775 1.00 1.00 H new ATOM 0 HA CYS A 228 3.592 2.465 3.410 1.00 1.00 H new ATOM 0 HB2 CYS A 228 2.026 0.457 1.704 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.852 1.824 0.983 1.00 1.00 H new ATOM 453 N GLY A 229 0.388 2.661 3.373 1.00 1.00 N ATOM 454 CA GLY A 229 -0.730 3.633 3.242 1.00 1.00 C ATOM 455 C GLY A 229 -0.704 4.612 4.418 1.00 1.00 C ATOM 456 O GLY A 229 -1.318 5.660 4.378 1.00 1.00 O ATOM 0 H GLY A 229 0.137 1.765 3.792 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.643 4.177 2.302 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.683 3.104 3.218 1.00 1.00 H new ATOM 460 N LEU A 230 0.006 4.285 5.464 1.00 1.00 N ATOM 461 CA LEU A 230 0.070 5.203 6.638 1.00 1.00 C ATOM 462 C LEU A 230 0.328 6.638 6.170 1.00 1.00 C ATOM 463 O LEU A 230 -0.248 7.580 6.677 1.00 1.00 O ATOM 464 CB LEU A 230 1.241 4.699 7.477 1.00 1.00 C ATOM 465 CG LEU A 230 0.813 4.594 8.941 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.925 3.923 9.749 1.00 1.00 C ATOM 467 CD2 LEU A 230 0.558 5.997 9.497 1.00 1.00 C ATOM 0 H LEU A 230 0.544 3.423 5.557 1.00 1.00 H new ATOM 0 HA LEU A 230 -0.861 5.212 7.204 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.570 3.726 7.113 1.00 1.00 H new ATOM 0 HB3 LEU A 230 2.088 5.378 7.383 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.099 4.001 9.013 1.00 1.00 H new ATOM 0 HD11 LEU A 230 1.621 3.847 10.793 1.00 1.00 H new ATOM 0 HD12 LEU A 230 2.112 2.925 9.352 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.836 4.518 9.678 1.00 1.00 H new ATOM 0 HD21 LEU A 230 0.253 5.925 10.541 1.00 1.00 H new ATOM 0 HD22 LEU A 230 1.471 6.588 9.426 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.232 6.479 8.921 1.00 1.00 H new ATOM 479 N TYR A 231 1.191 6.809 5.206 1.00 1.00 N ATOM 480 CA TYR A 231 1.486 8.183 4.705 1.00 1.00 C ATOM 481 C TYR A 231 0.214 8.819 4.139 1.00 1.00 C ATOM 482 O TYR A 231 -0.029 9.998 4.301 1.00 1.00 O ATOM 483 CB TYR A 231 2.524 7.982 3.599 1.00 1.00 C ATOM 484 CG TYR A 231 3.370 9.223 3.466 1.00 1.00 C ATOM 485 CD1 TYR A 231 2.872 10.340 2.784 1.00 1.00 C ATOM 486 CD2 TYR A 231 4.654 9.259 4.022 1.00 1.00 C ATOM 487 CE1 TYR A 231 3.657 11.492 2.660 1.00 1.00 C ATOM 488 CE2 TYR A 231 5.440 10.411 3.898 1.00 1.00 C ATOM 489 CZ TYR A 231 4.941 11.526 3.216 1.00 1.00 C ATOM 490 OH TYR A 231 5.715 12.662 3.093 1.00 1.00 O ATOM 0 H TYR A 231 1.704 6.058 4.744 1.00 1.00 H new ATOM 0 HA TYR A 231 1.850 8.844 5.491 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.154 7.123 3.830 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.026 7.767 2.654 1.00 1.00 H new ATOM 0 HD1 TYR A 231 1.882 10.313 2.354 1.00 1.00 H new ATOM 0 HD2 TYR A 231 5.039 8.397 4.547 1.00 1.00 H new ATOM 0 HE1 TYR A 231 3.272 12.354 2.136 1.00 1.00 H new ATOM 0 HE2 TYR A 231 6.430 10.439 4.328 1.00 1.00 H new ATOM 0 HH TYR A 231 6.578 12.520 3.536 1.00 1.00 H new ATOM 500 N HIS A 232 -0.597 8.045 3.470 1.00 1.00 N ATOM 501 CA HIS A 232 -1.851 8.597 2.889 1.00 1.00 C ATOM 502 C HIS A 232 -2.884 8.866 3.988 1.00 1.00 C ATOM 503 O HIS A 232 -3.760 9.695 3.840 1.00 1.00 O ATOM 504 CB HIS A 232 -2.355 7.512 1.938 1.00 1.00 C ATOM 505 CG HIS A 232 -3.172 8.140 0.845 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.816 8.877 -0.258 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -4.554 8.045 0.806 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.957 9.234 -0.970 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.977 8.707 -0.286 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.443 7.051 3.301 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.682 9.546 2.380 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.512 6.969 1.510 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.957 6.786 2.485 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -5.178 7.532 1.523 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -4.007 9.813 -1.880 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -5.956 8.796 -0.558 1.00 1.00 H new ATOM 517 N LYS A 233 -2.795 8.168 5.086 1.00 1.00 N ATOM 518 CA LYS A 233 -3.779 8.380 6.187 1.00 1.00 C ATOM 519 C LYS A 233 -3.409 9.616 7.011 1.00 1.00 C ATOM 520 O LYS A 233 -4.264 10.368 7.438 1.00 1.00 O ATOM 521 CB LYS A 233 -3.691 7.118 7.046 1.00 1.00 C ATOM 522 CG LYS A 233 -3.879 5.884 6.161 1.00 1.00 C ATOM 523 CD LYS A 233 -5.236 5.243 6.460 1.00 1.00 C ATOM 524 CE LYS A 233 -5.274 4.778 7.919 1.00 1.00 C ATOM 525 NZ LYS A 233 -6.386 3.789 7.976 1.00 1.00 N ATOM 0 H LYS A 233 -2.084 7.460 5.270 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.787 8.548 5.807 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.725 7.074 7.549 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.454 7.141 7.824 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.822 6.165 5.110 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.078 5.167 6.343 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -6.037 5.959 6.275 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.405 4.397 5.794 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -4.327 4.326 8.215 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.453 5.614 8.596 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -6.476 3.423 8.945 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -7.275 4.250 7.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -6.184 3.002 7.327 1.00 1.00 H new ATOM 539 N MET A 234 -2.143 9.831 7.243 1.00 1.00 N ATOM 540 CA MET A 234 -1.726 11.018 8.048 1.00 1.00 C ATOM 541 C MET A 234 -1.419 12.205 7.136 1.00 1.00 C ATOM 542 O MET A 234 -2.134 13.188 7.113 1.00 1.00 O ATOM 543 CB MET A 234 -0.465 10.569 8.787 1.00 1.00 C ATOM 544 CG MET A 234 -0.855 9.931 10.121 1.00 1.00 C ATOM 545 SD MET A 234 -0.253 10.965 11.481 1.00 1.00 S ATOM 546 CE MET A 234 -1.729 12.000 11.649 1.00 1.00 C ATOM 0 H MET A 234 -1.381 9.240 6.912 1.00 1.00 H new ATOM 0 HA MET A 234 -2.509 11.345 8.732 1.00 1.00 H new ATOM 0 HB2 MET A 234 0.091 9.855 8.179 1.00 1.00 H new ATOM 0 HB3 MET A 234 0.192 11.422 8.958 1.00 1.00 H new ATOM 0 HG2 MET A 234 -1.938 9.824 10.183 1.00 1.00 H new ATOM 0 HG3 MET A 234 -0.431 8.930 10.196 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.576 12.725 12.448 1.00 1.00 H new ATOM 0 HE2 MET A 234 -1.913 12.526 10.712 1.00 1.00 H new ATOM 0 HE3 MET A 234 -2.588 11.373 11.888 1.00 1.00 H new ATOM 556 N ASN A 235 -0.357 12.126 6.388 1.00 1.00 N ATOM 557 CA ASN A 235 0.006 13.251 5.479 1.00 1.00 C ATOM 558 C ASN A 235 -0.993 13.348 4.324 1.00 1.00 C ATOM 559 O ASN A 235 -1.254 14.416 3.804 1.00 1.00 O ATOM 560 CB ASN A 235 1.400 12.903 4.957 1.00 1.00 C ATOM 561 CG ASN A 235 2.456 13.450 5.919 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.148 13.812 7.037 1.00 1.00 O ATOM 563 ND2 ASN A 235 3.700 13.524 5.528 1.00 1.00 N ATOM 0 H ASN A 235 0.279 11.329 6.365 1.00 1.00 H new ATOM 0 HA ASN A 235 -0.010 14.214 5.989 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.505 11.822 4.861 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.544 13.326 3.963 1.00 1.00 H new ATOM 0 HD21 ASN A 235 4.413 13.886 6.161 1.00 1.00 H new ATOM 0 HD22 ASN A 235 3.958 13.220 4.589 1.00 1.00 H new ATOM 570 N GLY A 236 -1.554 12.245 3.918 1.00 1.00 N ATOM 571 CA GLY A 236 -2.534 12.275 2.803 1.00 1.00 C ATOM 572 C GLY A 236 -1.831 11.925 1.489 1.00 1.00 C ATOM 573 O GLY A 236 -2.380 11.244 0.645 1.00 1.00 O ATOM 0 H GLY A 236 -1.374 11.322 4.313 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.340 11.567 2.995 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.988 13.263 2.732 1.00 1.00 H new ATOM 577 N GLN A 237 -0.625 12.387 1.307 1.00 1.00 N ATOM 578 CA GLN A 237 0.106 12.076 0.045 1.00 1.00 C ATOM 579 C GLN A 237 0.557 10.612 0.044 1.00 1.00 C ATOM 580 O GLN A 237 0.331 9.885 0.989 1.00 1.00 O ATOM 581 CB GLN A 237 1.317 13.007 0.045 1.00 1.00 C ATOM 582 CG GLN A 237 0.848 14.458 -0.079 1.00 1.00 C ATOM 583 CD GLN A 237 1.929 15.289 -0.772 1.00 1.00 C ATOM 584 OE1 GLN A 237 1.629 16.216 -1.497 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.186 14.992 -0.581 1.00 1.00 N ATOM 0 H GLN A 237 -0.115 12.965 1.975 1.00 1.00 H new ATOM 0 HA GLN A 237 -0.517 12.220 -0.838 1.00 1.00 H new ATOM 0 HB2 GLN A 237 1.889 12.876 0.964 1.00 1.00 H new ATOM 0 HB3 GLN A 237 1.981 12.757 -0.782 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -0.080 14.503 -0.648 1.00 1.00 H new ATOM 0 HG3 GLN A 237 0.637 14.868 0.909 1.00 1.00 H new ATOM 0 HE21 GLN A 237 3.439 14.214 0.028 1.00 1.00 H new ATOM 0 HE22 GLN A 237 3.915 15.538 -1.040 1.00 1.00 H new ATOM 594 N ASN A 238 1.191 10.177 -1.009 1.00 1.00 N ATOM 595 CA ASN A 238 1.656 8.761 -1.064 1.00 1.00 C ATOM 596 C ASN A 238 3.160 8.689 -0.792 1.00 1.00 C ATOM 597 O ASN A 238 3.839 9.696 -0.744 1.00 1.00 O ATOM 598 CB ASN A 238 1.344 8.296 -2.488 1.00 1.00 C ATOM 599 CG ASN A 238 -0.092 7.771 -2.549 1.00 1.00 C ATOM 600 OD1 ASN A 238 -0.485 6.944 -1.750 1.00 1.00 O ATOM 601 ND2 ASN A 238 -0.897 8.220 -3.472 1.00 1.00 N ATOM 0 H ASN A 238 1.407 10.738 -1.833 1.00 1.00 H new ATOM 0 HA ASN A 238 1.168 8.136 -0.316 1.00 1.00 H new ATOM 0 HB2 ASN A 238 1.471 9.122 -3.188 1.00 1.00 H new ATOM 0 HB3 ASN A 238 2.042 7.514 -2.788 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -1.856 7.877 -3.523 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -0.567 8.914 -4.143 1.00 1.00 H new ATOM 608 N ARG A 239 3.684 7.509 -0.613 1.00 1.00 N ATOM 609 CA ARG A 239 5.145 7.377 -0.346 1.00 1.00 C ATOM 610 C ARG A 239 5.937 7.610 -1.633 1.00 1.00 C ATOM 611 O ARG A 239 5.455 7.346 -2.716 1.00 1.00 O ATOM 612 CB ARG A 239 5.329 5.942 0.150 1.00 1.00 C ATOM 613 CG ARG A 239 5.860 5.962 1.584 1.00 1.00 C ATOM 614 CD ARG A 239 4.892 5.207 2.500 1.00 1.00 C ATOM 615 NE ARG A 239 5.641 3.995 2.933 1.00 1.00 N ATOM 616 CZ ARG A 239 6.332 4.015 4.040 1.00 1.00 C ATOM 617 NH1 ARG A 239 7.533 4.526 4.049 1.00 1.00 N ATOM 618 NH2 ARG A 239 5.822 3.527 5.138 1.00 1.00 N ATOM 0 H ARG A 239 3.166 6.631 -0.640 1.00 1.00 H new ATOM 0 HA ARG A 239 5.502 8.106 0.382 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.380 5.408 0.110 1.00 1.00 H new ATOM 0 HB3 ARG A 239 6.023 5.408 -0.499 1.00 1.00 H new ATOM 0 HG2 ARG A 239 6.848 5.502 1.623 1.00 1.00 H new ATOM 0 HG3 ARG A 239 5.973 6.991 1.926 1.00 1.00 H new ATOM 0 HD2 ARG A 239 4.600 5.817 3.355 1.00 1.00 H new ATOM 0 HD3 ARG A 239 3.977 4.938 1.972 1.00 1.00 H new ATOM 0 HE ARG A 239 5.614 3.149 2.364 1.00 1.00 H new ATOM 0 HH11 ARG A 239 7.931 4.909 3.191 1.00 1.00 H new ATOM 0 HH12 ARG A 239 8.074 4.542 4.914 1.00 1.00 H new ATOM 0 HH21 ARG A 239 4.883 3.130 5.131 1.00 1.00 H new ATOM 0 HH22 ARG A 239 6.363 3.543 6.003 1.00 1.00 H new ATOM 632 N PRO A 240 7.136 8.097 -1.468 1.00 1.00 N ATOM 633 CA PRO A 240 8.018 8.373 -2.631 1.00 1.00 C ATOM 634 C PRO A 240 8.474 7.064 -3.283 1.00 1.00 C ATOM 635 O PRO A 240 7.843 6.561 -4.192 1.00 1.00 O ATOM 636 CB PRO A 240 9.198 9.122 -2.015 1.00 1.00 C ATOM 637 CG PRO A 240 9.214 8.699 -0.581 1.00 1.00 C ATOM 638 CD PRO A 240 7.782 8.434 -0.194 1.00 1.00 C ATOM 0 HA PRO A 240 7.525 8.942 -3.419 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.133 8.865 -2.513 1.00 1.00 H new ATOM 0 HB3 PRO A 240 9.073 10.201 -2.108 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.823 7.805 -0.448 1.00 1.00 H new ATOM 0 HG3 PRO A 240 9.648 9.477 0.048 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.705 7.616 0.523 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.324 9.308 0.269 1.00 1.00 H new ATOM 646 N LEU A 241 9.564 6.510 -2.831 1.00 1.00 N ATOM 647 CA LEU A 241 10.056 5.237 -3.432 1.00 1.00 C ATOM 648 C LEU A 241 10.222 5.398 -4.945 1.00 1.00 C ATOM 649 O LEU A 241 10.102 6.482 -5.479 1.00 1.00 O ATOM 650 CB LEU A 241 8.968 4.206 -3.121 1.00 1.00 C ATOM 651 CG LEU A 241 8.768 4.112 -1.607 1.00 1.00 C ATOM 652 CD1 LEU A 241 7.439 3.416 -1.313 1.00 1.00 C ATOM 653 CD2 LEU A 241 9.914 3.307 -0.990 1.00 1.00 C ATOM 0 H LEU A 241 10.136 6.882 -2.073 1.00 1.00 H new ATOM 0 HA LEU A 241 11.026 4.940 -3.034 1.00 1.00 H new ATOM 0 HB2 LEU A 241 8.034 4.491 -3.604 1.00 1.00 H new ATOM 0 HB3 LEU A 241 9.250 3.232 -3.522 1.00 1.00 H new ATOM 0 HG LEU A 241 8.757 5.114 -1.178 1.00 1.00 H new ATOM 0 HD11 LEU A 241 7.295 3.348 -0.235 1.00 1.00 H new ATOM 0 HD12 LEU A 241 6.623 3.989 -1.753 1.00 1.00 H new ATOM 0 HD13 LEU A 241 7.451 2.414 -1.741 1.00 1.00 H new ATOM 0 HD21 LEU A 241 9.772 3.240 0.089 1.00 1.00 H new ATOM 0 HD22 LEU A 241 9.926 2.304 -1.418 1.00 1.00 H new ATOM 0 HD23 LEU A 241 10.862 3.803 -1.201 1.00 1.00 H new ATOM 665 N ILE A 242 10.499 4.328 -5.638 1.00 1.00 N ATOM 666 CA ILE A 242 10.675 4.419 -7.110 1.00 1.00 C ATOM 667 C ILE A 242 9.333 4.213 -7.819 1.00 1.00 C ATOM 668 O ILE A 242 8.892 5.045 -8.587 1.00 1.00 O ATOM 669 CB ILE A 242 11.649 3.294 -7.462 1.00 1.00 C ATOM 670 CG1 ILE A 242 12.867 3.368 -6.539 1.00 1.00 C ATOM 671 CG2 ILE A 242 12.102 3.447 -8.916 1.00 1.00 C ATOM 672 CD1 ILE A 242 13.595 4.695 -6.758 1.00 1.00 C ATOM 0 H ILE A 242 10.611 3.393 -5.245 1.00 1.00 H new ATOM 0 HA ILE A 242 11.049 5.394 -7.422 1.00 1.00 H new ATOM 0 HB ILE A 242 11.154 2.331 -7.335 1.00 1.00 H new ATOM 0 HG12 ILE A 242 12.554 3.281 -5.499 1.00 1.00 H new ATOM 0 HG13 ILE A 242 13.540 2.535 -6.740 1.00 1.00 H new ATOM 0 HG21 ILE A 242 12.796 2.645 -9.167 1.00 1.00 H new ATOM 0 HG22 ILE A 242 11.235 3.396 -9.575 1.00 1.00 H new ATOM 0 HG23 ILE A 242 12.598 4.409 -9.043 1.00 1.00 H new ATOM 0 HD11 ILE A 242 14.463 4.747 -6.100 1.00 1.00 H new ATOM 0 HD12 ILE A 242 13.922 4.764 -7.796 1.00 1.00 H new ATOM 0 HD13 ILE A 242 12.920 5.521 -6.535 1.00 1.00 H new ATOM 684 N ARG A 243 8.681 3.110 -7.567 1.00 1.00 N ATOM 685 CA ARG A 243 7.368 2.852 -8.226 1.00 1.00 C ATOM 686 C ARG A 243 6.372 3.961 -7.878 1.00 1.00 C ATOM 687 O ARG A 243 6.815 5.035 -7.506 1.00 1.00 O ATOM 688 CB ARG A 243 6.898 1.515 -7.663 1.00 1.00 C ATOM 689 CG ARG A 243 6.636 0.538 -8.812 1.00 1.00 C ATOM 690 CD ARG A 243 7.949 0.236 -9.537 1.00 1.00 C ATOM 691 NE ARG A 243 7.560 0.028 -10.962 1.00 1.00 N ATOM 692 CZ ARG A 243 8.418 -0.481 -11.804 1.00 1.00 C ATOM 693 NH1 ARG A 243 9.653 -0.062 -11.811 1.00 1.00 N ATOM 694 NH2 ARG A 243 8.038 -1.408 -12.640 1.00 1.00 N ATOM 695 OXT ARG A 243 5.182 3.717 -7.990 1.00 0.00 O ATOM 0 H ARG A 243 9.000 2.377 -6.934 1.00 1.00 H new ATOM 0 HA ARG A 243 7.450 2.830 -9.313 1.00 1.00 H new ATOM 0 HB2 ARG A 243 7.652 1.107 -6.990 1.00 1.00 H new ATOM 0 HB3 ARG A 243 5.990 1.655 -7.077 1.00 1.00 H new ATOM 0 HG2 ARG A 243 6.201 -0.384 -8.427 1.00 1.00 H new ATOM 0 HG3 ARG A 243 5.914 0.965 -9.508 1.00 1.00 H new ATOM 0 HD2 ARG A 243 8.655 1.060 -9.436 1.00 1.00 H new ATOM 0 HD3 ARG A 243 8.433 -0.650 -9.126 1.00 1.00 H new ATOM 0 HE ARG A 243 6.624 0.283 -11.278 1.00 1.00 H new ATOM 0 HH11 ARG A 243 9.949 0.664 -11.158 1.00 1.00 H new ATOM 0 HH12 ARG A 243 10.323 -0.460 -12.469 1.00 1.00 H new ATOM 0 HH21 ARG A 243 7.072 -1.734 -12.635 1.00 1.00 H new ATOM 0 HH22 ARG A 243 8.707 -1.806 -13.298 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.876 -1.976 1.613 1.00 1.00 ZN