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 220 THR OG1 : rot 60:sc= -2.98! USER MOD Set 1.2: A 222 HIS : no HD1:sc= -4.3! C(o=-7.3!,f=-9.7!) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 206 ASN : amide:sc= -1.65 K(o=-1.6,f=-2.8!) USER MOD Single : A 210 THR OG1 : rot -51:sc= -5.43! USER MOD Single : A 212 THR OG1 : rot -124:sc= -1.94! USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.7!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -1.05 F(o=-3!,f=-1) 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 235 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 198 5.650 -17.040 -3.718 1.00 1.00 N ATOM 2 CA GLY A 198 5.687 -16.367 -5.048 1.00 1.00 C ATOM 3 C GLY A 198 4.808 -15.117 -5.013 1.00 1.00 C ATOM 4 O GLY A 198 5.277 -14.023 -4.766 1.00 1.00 O ATOM 0 HA2 GLY A 198 6.712 -16.096 -5.302 1.00 1.00 H new ATOM 0 HA3 GLY A 198 5.336 -17.049 -5.822 1.00 1.00 H new ATOM 10 N SER A 199 3.535 -15.268 -5.254 1.00 1.00 N ATOM 11 CA SER A 199 2.626 -14.086 -5.234 1.00 1.00 C ATOM 12 C SER A 199 1.189 -14.533 -4.952 1.00 1.00 C ATOM 13 O SER A 199 0.245 -14.016 -5.515 1.00 1.00 O ATOM 14 CB SER A 199 2.735 -13.476 -6.631 1.00 1.00 C ATOM 15 OG SER A 199 2.966 -12.078 -6.515 1.00 1.00 O ATOM 0 H SER A 199 3.084 -16.159 -5.464 1.00 1.00 H new ATOM 0 HA SER A 199 2.895 -13.370 -4.457 1.00 1.00 H new ATOM 0 HB2 SER A 199 3.548 -13.946 -7.184 1.00 1.00 H new ATOM 0 HB3 SER A 199 1.820 -13.660 -7.193 1.00 1.00 H new ATOM 0 HG SER A 199 3.038 -11.683 -7.409 1.00 1.00 H new ATOM 21 N GLU A 200 1.017 -15.494 -4.085 1.00 1.00 N ATOM 22 CA GLU A 200 -0.357 -15.977 -3.768 1.00 1.00 C ATOM 23 C GLU A 200 -1.251 -14.803 -3.364 1.00 1.00 C ATOM 24 O GLU A 200 -2.176 -14.443 -4.066 1.00 1.00 O ATOM 25 CB GLU A 200 -0.178 -16.941 -2.597 1.00 1.00 C ATOM 26 CG GLU A 200 -1.446 -17.777 -2.422 1.00 1.00 C ATOM 27 CD GLU A 200 -1.352 -18.587 -1.128 1.00 1.00 C ATOM 28 OE1 GLU A 200 -0.736 -18.101 -0.193 1.00 1.00 O ATOM 29 OE2 GLU A 200 -1.897 -19.677 -1.092 1.00 1.00 O ATOM 0 H GLU A 200 1.769 -15.965 -3.583 1.00 1.00 H new ATOM 0 HA GLU A 200 -0.832 -16.458 -4.623 1.00 1.00 H new ATOM 0 HB2 GLU A 200 0.677 -17.592 -2.777 1.00 1.00 H new ATOM 0 HB3 GLU A 200 0.032 -16.384 -1.684 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -2.321 -17.127 -2.394 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -1.573 -18.446 -3.273 1.00 1.00 H new ATOM 36 N ALA A 201 -0.983 -14.208 -2.239 1.00 1.00 N ATOM 37 CA ALA A 201 -1.816 -13.059 -1.785 1.00 1.00 C ATOM 38 C ALA A 201 -1.510 -11.818 -2.626 1.00 1.00 C ATOM 39 O ALA A 201 -0.739 -11.866 -3.563 1.00 1.00 O ATOM 40 CB ALA A 201 -1.414 -12.827 -0.329 1.00 1.00 C ATOM 0 H ALA A 201 -0.222 -14.467 -1.611 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.883 -13.259 -1.888 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.986 -11.993 0.078 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.619 -13.726 0.253 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.350 -12.596 -0.278 1.00 1.00 H new ATOM 46 N ARG A 202 -2.109 -10.707 -2.298 1.00 1.00 N ATOM 47 CA ARG A 202 -1.851 -9.465 -3.079 1.00 1.00 C ATOM 48 C ARG A 202 -0.424 -8.975 -2.832 1.00 1.00 C ATOM 49 O ARG A 202 0.172 -9.256 -1.811 1.00 1.00 O ATOM 50 CB ARG A 202 -2.865 -8.447 -2.550 1.00 1.00 C ATOM 51 CG ARG A 202 -3.738 -7.948 -3.702 1.00 1.00 C ATOM 52 CD ARG A 202 -4.879 -8.939 -3.945 1.00 1.00 C ATOM 53 NE ARG A 202 -5.172 -8.832 -5.401 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.014 -9.657 -5.961 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.030 -10.914 -5.610 1.00 1.00 N ATOM 56 NH2 ARG A 202 -6.842 -9.225 -6.874 1.00 1.00 N ATOM 0 H ARG A 202 -2.765 -10.605 -1.524 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.953 -9.623 -4.153 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.487 -8.904 -1.780 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.346 -7.609 -2.084 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.142 -6.963 -3.466 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.138 -7.839 -4.606 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.586 -9.953 -3.674 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.755 -8.689 -3.346 1.00 1.00 H new ATOM 0 HE ARG A 202 -4.714 -8.113 -5.961 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -5.384 -11.253 -4.897 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -6.689 -11.558 -6.049 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -6.830 -8.243 -7.149 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -7.500 -9.870 -7.312 1.00 1.00 H new ATOM 70 N GLU A 203 0.130 -8.242 -3.757 1.00 1.00 N ATOM 71 CA GLU A 203 1.516 -7.729 -3.572 1.00 1.00 C ATOM 72 C GLU A 203 1.481 -6.209 -3.404 1.00 1.00 C ATOM 73 O GLU A 203 1.193 -5.481 -4.334 1.00 1.00 O ATOM 74 CB GLU A 203 2.263 -8.115 -4.849 1.00 1.00 C ATOM 75 CG GLU A 203 3.709 -8.478 -4.506 1.00 1.00 C ATOM 76 CD GLU A 203 4.635 -8.010 -5.630 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.175 -7.939 -6.758 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.788 -7.730 -5.344 1.00 1.00 O ATOM 0 H GLU A 203 -0.318 -7.976 -4.634 1.00 1.00 H new ATOM 0 HA GLU A 203 2.000 -8.142 -2.687 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.770 -8.959 -5.330 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.243 -7.288 -5.558 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.998 -8.011 -3.564 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.802 -9.555 -4.369 1.00 1.00 H new ATOM 85 N CYS A 204 1.765 -5.723 -2.228 1.00 1.00 N ATOM 86 CA CYS A 204 1.737 -4.254 -2.008 1.00 1.00 C ATOM 87 C CYS A 204 2.423 -3.534 -3.166 1.00 1.00 C ATOM 88 O CYS A 204 3.621 -3.621 -3.346 1.00 1.00 O ATOM 89 CB CYS A 204 2.504 -4.036 -0.709 1.00 1.00 C ATOM 90 SG CYS A 204 2.348 -2.309 -0.200 1.00 1.00 S ATOM 0 H CYS A 204 2.015 -6.281 -1.411 1.00 1.00 H new ATOM 0 HA CYS A 204 0.721 -3.863 -1.951 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.116 -4.692 0.070 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.554 -4.292 -0.847 1.00 1.00 H new ATOM 95 N VAL A 205 1.668 -2.817 -3.951 1.00 1.00 N ATOM 96 CA VAL A 205 2.267 -2.082 -5.099 1.00 1.00 C ATOM 97 C VAL A 205 3.470 -1.257 -4.631 1.00 1.00 C ATOM 98 O VAL A 205 4.295 -0.845 -5.422 1.00 1.00 O ATOM 99 CB VAL A 205 1.151 -1.166 -5.596 1.00 1.00 C ATOM 100 CG1 VAL A 205 -0.009 -2.015 -6.116 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.660 -0.288 -4.443 1.00 1.00 C ATOM 0 H VAL A 205 0.659 -2.708 -3.846 1.00 1.00 H new ATOM 0 HA VAL A 205 2.628 -2.752 -5.879 1.00 1.00 H new ATOM 0 HB VAL A 205 1.530 -0.534 -6.399 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.807 -1.363 -6.471 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.339 -2.643 -6.936 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.387 -2.646 -5.312 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -0.137 0.366 -4.797 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.280 -0.920 -3.640 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.486 0.317 -4.069 1.00 1.00 H new ATOM 111 N ASN A 206 3.570 -0.994 -3.354 1.00 1.00 N ATOM 112 CA ASN A 206 4.709 -0.179 -2.851 1.00 1.00 C ATOM 113 C ASN A 206 5.854 -1.061 -2.334 1.00 1.00 C ATOM 114 O ASN A 206 6.984 -0.921 -2.761 1.00 1.00 O ATOM 115 CB ASN A 206 4.123 0.653 -1.714 1.00 1.00 C ATOM 116 CG ASN A 206 3.577 1.966 -2.275 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.772 2.271 -3.435 1.00 1.00 O ATOM 118 ND2 ASN A 206 2.895 2.760 -1.498 1.00 1.00 N ATOM 0 H ASN A 206 2.912 -1.309 -2.641 1.00 1.00 H new ATOM 0 HA ASN A 206 5.138 0.435 -3.643 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.328 0.099 -1.216 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.888 0.855 -0.965 1.00 1.00 H new ATOM 0 HD21 ASN A 206 2.525 3.637 -1.864 1.00 1.00 H new ATOM 0 HD22 ASN A 206 2.731 2.504 -0.524 1.00 1.00 H new ATOM 125 N CYS A 207 5.599 -1.944 -1.401 1.00 1.00 N ATOM 126 CA CYS A 207 6.709 -2.773 -0.870 1.00 1.00 C ATOM 127 C CYS A 207 6.478 -4.278 -1.129 1.00 1.00 C ATOM 128 O CYS A 207 7.268 -5.108 -0.725 1.00 1.00 O ATOM 129 CB CYS A 207 6.752 -2.425 0.621 1.00 1.00 C ATOM 130 SG CYS A 207 5.513 -3.358 1.546 1.00 1.00 S ATOM 0 H CYS A 207 4.681 -2.121 -0.992 1.00 1.00 H new ATOM 0 HA CYS A 207 7.661 -2.567 -1.360 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.744 -2.639 1.019 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.580 -1.357 0.753 1.00 1.00 H new ATOM 135 N GLY A 208 5.427 -4.631 -1.826 1.00 1.00 N ATOM 136 CA GLY A 208 5.175 -6.076 -2.142 1.00 1.00 C ATOM 137 C GLY A 208 4.653 -6.816 -0.910 1.00 1.00 C ATOM 138 O GLY A 208 4.384 -8.000 -0.948 1.00 1.00 O ATOM 0 H GLY A 208 4.730 -3.982 -2.192 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.451 -6.155 -2.953 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.096 -6.543 -2.490 1.00 1.00 H new ATOM 142 N ALA A 209 4.510 -6.126 0.178 1.00 1.00 N ATOM 143 CA ALA A 209 4.010 -6.766 1.426 1.00 1.00 C ATOM 144 C ALA A 209 2.724 -7.551 1.158 1.00 1.00 C ATOM 145 O ALA A 209 1.657 -6.982 1.037 1.00 1.00 O ATOM 146 CB ALA A 209 3.728 -5.597 2.365 1.00 1.00 C ATOM 0 H ALA A 209 4.720 -5.131 0.261 1.00 1.00 H new ATOM 0 HA ALA A 209 4.726 -7.476 1.839 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.353 -5.976 3.316 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.647 -5.037 2.535 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.982 -4.942 1.916 1.00 1.00 H new ATOM 152 N THR A 210 2.809 -8.851 1.079 1.00 1.00 N ATOM 153 CA THR A 210 1.580 -9.656 0.831 1.00 1.00 C ATOM 154 C THR A 210 1.178 -10.414 2.100 1.00 1.00 C ATOM 155 O THR A 210 0.518 -11.433 2.046 1.00 1.00 O ATOM 156 CB THR A 210 1.951 -10.629 -0.288 1.00 1.00 C ATOM 157 OG1 THR A 210 0.844 -11.477 -0.563 1.00 1.00 O ATOM 158 CG2 THR A 210 3.144 -11.470 0.148 1.00 1.00 C ATOM 0 H THR A 210 3.671 -9.388 1.175 1.00 1.00 H new ATOM 0 HA THR A 210 0.730 -9.032 0.554 1.00 1.00 H new ATOM 0 HB THR A 210 2.211 -10.071 -1.187 1.00 1.00 H new ATOM 0 HG1 THR A 210 0.516 -11.869 0.273 1.00 1.00 H new ATOM 0 HG21 THR A 210 3.410 -12.165 -0.649 1.00 1.00 H new ATOM 0 HG22 THR A 210 3.991 -10.818 0.359 1.00 1.00 H new ATOM 0 HG23 THR A 210 2.885 -12.030 1.046 1.00 1.00 H new ATOM 166 N ALA A 211 1.565 -9.916 3.244 1.00 1.00 N ATOM 167 CA ALA A 211 1.200 -10.598 4.520 1.00 1.00 C ATOM 168 C ALA A 211 0.314 -9.676 5.367 1.00 1.00 C ATOM 169 O ALA A 211 -0.224 -10.075 6.380 1.00 1.00 O ATOM 170 CB ALA A 211 2.530 -10.860 5.228 1.00 1.00 C ATOM 0 H ALA A 211 2.118 -9.066 3.350 1.00 1.00 H new ATOM 0 HA ALA A 211 0.642 -11.520 4.354 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.344 -11.361 6.178 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.158 -11.493 4.601 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.038 -9.913 5.411 1.00 1.00 H new ATOM 176 N THR A 212 0.165 -8.448 4.955 1.00 1.00 N ATOM 177 CA THR A 212 -0.681 -7.488 5.727 1.00 1.00 C ATOM 178 C THR A 212 -2.040 -8.114 6.060 1.00 1.00 C ATOM 179 O THR A 212 -2.482 -9.032 5.397 1.00 1.00 O ATOM 180 CB THR A 212 -0.860 -6.285 4.795 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.959 -5.502 5.240 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.128 -6.770 3.367 1.00 1.00 C ATOM 0 H THR A 212 0.594 -8.064 4.113 1.00 1.00 H new ATOM 0 HA THR A 212 -0.224 -7.210 6.677 1.00 1.00 H new ATOM 0 HB THR A 212 0.049 -5.683 4.807 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.606 -5.403 4.511 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.255 -5.911 2.709 1.00 1.00 H new ATOM 0 HG22 THR A 212 -0.286 -7.370 3.023 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.035 -7.375 3.352 1.00 1.00 H new ATOM 190 N PRO A 213 -2.658 -7.588 7.084 1.00 1.00 N ATOM 191 CA PRO A 213 -3.985 -8.092 7.516 1.00 1.00 C ATOM 192 C PRO A 213 -5.069 -7.659 6.523 1.00 1.00 C ATOM 193 O PRO A 213 -5.829 -8.468 6.028 1.00 1.00 O ATOM 194 CB PRO A 213 -4.195 -7.431 8.876 1.00 1.00 C ATOM 195 CG PRO A 213 -3.351 -6.197 8.840 1.00 1.00 C ATOM 196 CD PRO A 213 -2.187 -6.482 7.926 1.00 1.00 C ATOM 0 HA PRO A 213 -4.036 -9.180 7.566 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.245 -7.187 9.038 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.892 -8.093 9.688 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.927 -5.347 8.476 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -3.002 -5.940 9.840 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.926 -5.609 7.328 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.296 -6.761 8.489 1.00 1.00 H new ATOM 204 N LEU A 214 -5.142 -6.390 6.229 1.00 1.00 N ATOM 205 CA LEU A 214 -6.172 -5.903 5.267 1.00 1.00 C ATOM 206 C LEU A 214 -5.522 -5.019 4.200 1.00 1.00 C ATOM 207 O LEU A 214 -4.562 -4.321 4.460 1.00 1.00 O ATOM 208 CB LEU A 214 -7.155 -5.091 6.111 1.00 1.00 C ATOM 209 CG LEU A 214 -8.322 -4.635 5.232 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.410 -5.710 5.231 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.897 -3.329 5.785 1.00 1.00 C ATOM 0 H LEU A 214 -4.532 -5.668 6.614 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.667 -6.721 4.744 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.524 -5.694 6.941 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.652 -4.227 6.544 1.00 1.00 H new ATOM 0 HG LEU A 214 -7.968 -4.474 4.214 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.241 -5.386 4.605 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.001 -6.641 4.838 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.764 -5.871 6.249 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.728 -3.004 5.159 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.251 -3.490 6.803 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.122 -2.562 5.787 1.00 1.00 H new ATOM 223 N TRP A 215 -6.035 -5.044 3.000 1.00 1.00 N ATOM 224 CA TRP A 215 -5.447 -4.208 1.921 1.00 1.00 C ATOM 225 C TRP A 215 -6.302 -2.960 1.686 1.00 1.00 C ATOM 226 O TRP A 215 -7.450 -2.900 2.080 1.00 1.00 O ATOM 227 CB TRP A 215 -5.459 -5.108 0.686 1.00 1.00 C ATOM 228 CG TRP A 215 -4.514 -6.245 0.895 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.780 -7.349 1.631 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.160 -6.411 0.382 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.676 -8.181 1.603 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.652 -7.645 0.847 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.334 -5.616 -0.431 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.369 -8.079 0.517 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.039 -6.048 -0.768 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.556 -7.277 -0.294 1.00 1.00 C ATOM 0 H TRP A 215 -6.837 -5.609 2.722 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.444 -3.858 2.167 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.466 -5.485 0.506 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.170 -4.538 -0.197 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.703 -7.548 2.155 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.624 -9.080 2.082 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.696 -4.667 -0.799 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -1.004 -9.027 0.884 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.413 -5.431 -1.395 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.440 -7.604 -0.554 1.00 1.00 H new ATOM 247 N ARG A 216 -5.751 -1.965 1.046 1.00 1.00 N ATOM 248 CA ARG A 216 -6.531 -0.720 0.783 1.00 1.00 C ATOM 249 C ARG A 216 -6.131 -0.129 -0.571 1.00 1.00 C ATOM 250 O ARG A 216 -5.010 0.299 -0.763 1.00 1.00 O ATOM 251 CB ARG A 216 -6.151 0.232 1.917 1.00 1.00 C ATOM 252 CG ARG A 216 -7.115 1.420 1.931 1.00 1.00 C ATOM 253 CD ARG A 216 -6.527 2.564 1.102 1.00 1.00 C ATOM 254 NE ARG A 216 -7.250 3.783 1.560 1.00 1.00 N ATOM 255 CZ ARG A 216 -8.490 3.978 1.203 1.00 1.00 C ATOM 256 NH1 ARG A 216 -8.859 3.747 -0.028 1.00 1.00 N ATOM 257 NH2 ARG A 216 -9.360 4.404 2.075 1.00 1.00 N ATOM 0 H ARG A 216 -4.794 -1.959 0.693 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.605 -0.902 0.748 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -6.188 -0.291 2.873 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.127 0.582 1.784 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -8.082 1.122 1.525 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -7.287 1.750 2.955 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -5.453 2.658 1.264 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -6.675 2.395 0.035 1.00 1.00 H new ATOM 0 HE ARG A 216 -6.776 4.465 2.152 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -8.178 3.414 -0.711 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -9.828 3.899 -0.307 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -9.072 4.585 3.037 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -10.329 4.556 1.796 1.00 1.00 H new ATOM 271 N ARG A 217 -7.034 -0.105 -1.512 1.00 1.00 N ATOM 272 CA ARG A 217 -6.697 0.453 -2.851 1.00 1.00 C ATOM 273 C ARG A 217 -6.991 1.953 -2.892 1.00 1.00 C ATOM 274 O ARG A 217 -7.727 2.476 -2.080 1.00 1.00 O ATOM 275 CB ARG A 217 -7.597 -0.299 -3.834 1.00 1.00 C ATOM 276 CG ARG A 217 -7.662 -1.781 -3.451 1.00 1.00 C ATOM 277 CD ARG A 217 -9.045 -2.098 -2.883 1.00 1.00 C ATOM 278 NE ARG A 217 -9.905 -2.326 -4.077 1.00 1.00 N ATOM 279 CZ ARG A 217 -11.180 -2.556 -3.928 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.588 -3.425 -3.044 1.00 1.00 N ATOM 281 NH2 ARG A 217 -12.048 -1.916 -4.663 1.00 1.00 N ATOM 0 H ARG A 217 -7.990 -0.447 -1.412 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.641 0.332 -3.092 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.598 0.132 -3.827 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.212 -0.193 -4.848 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.464 -2.403 -4.324 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -6.892 -2.012 -2.714 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.017 -2.979 -2.242 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.421 -1.275 -2.276 1.00 1.00 H new ATOM 0 HE ARG A 217 -9.497 -2.302 -5.011 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.910 -3.925 -2.469 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.585 -3.604 -2.928 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -11.729 -1.236 -5.353 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -13.045 -2.095 -4.547 1.00 1.00 H new ATOM 295 N ASP A 218 -6.407 2.650 -3.827 1.00 1.00 N ATOM 296 CA ASP A 218 -6.631 4.115 -3.921 1.00 1.00 C ATOM 297 C ASP A 218 -7.197 4.488 -5.296 1.00 1.00 C ATOM 298 O ASP A 218 -7.840 3.693 -5.952 1.00 1.00 O ATOM 299 CB ASP A 218 -5.242 4.715 -3.732 1.00 1.00 C ATOM 300 CG ASP A 218 -4.293 4.170 -4.806 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.413 3.004 -5.142 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.460 4.931 -5.271 1.00 1.00 O ATOM 0 H ASP A 218 -5.781 2.263 -4.533 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.349 4.478 -3.185 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.293 5.802 -3.796 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.862 4.471 -2.740 1.00 1.00 H new ATOM 307 N ARG A 219 -6.959 5.695 -5.733 1.00 1.00 N ATOM 308 CA ARG A 219 -7.476 6.130 -7.063 1.00 1.00 C ATOM 309 C ARG A 219 -7.016 5.168 -8.157 1.00 1.00 C ATOM 310 O ARG A 219 -7.702 4.953 -9.137 1.00 1.00 O ATOM 311 CB ARG A 219 -6.862 7.508 -7.293 1.00 1.00 C ATOM 312 CG ARG A 219 -7.972 8.557 -7.383 1.00 1.00 C ATOM 313 CD ARG A 219 -8.638 8.713 -6.015 1.00 1.00 C ATOM 314 NE ARG A 219 -10.086 8.467 -6.265 1.00 1.00 N ATOM 315 CZ ARG A 219 -10.985 9.037 -5.509 1.00 1.00 C ATOM 316 NH1 ARG A 219 -10.948 10.326 -5.314 1.00 1.00 N ATOM 317 NH2 ARG A 219 -11.918 8.318 -4.952 1.00 1.00 N ATOM 0 H ARG A 219 -6.427 6.401 -5.225 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.566 6.149 -7.089 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.181 7.754 -6.478 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.274 7.507 -8.211 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.559 9.512 -7.709 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.710 8.258 -8.127 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.234 8.001 -5.295 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -8.471 9.709 -5.605 1.00 1.00 H new ATOM 0 HE ARG A 219 -10.375 7.853 -7.027 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.217 10.887 -5.752 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -11.650 10.773 -4.724 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -11.946 7.310 -5.107 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -12.620 8.763 -4.361 1.00 1.00 H new ATOM 331 N THR A 220 -5.856 4.593 -8.004 1.00 1.00 N ATOM 332 CA THR A 220 -5.354 3.655 -9.043 1.00 1.00 C ATOM 333 C THR A 220 -5.823 2.230 -8.738 1.00 1.00 C ATOM 334 O THR A 220 -5.483 1.291 -9.429 1.00 1.00 O ATOM 335 CB THR A 220 -3.829 3.748 -8.958 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.386 3.136 -7.754 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.405 5.217 -8.974 1.00 1.00 C ATOM 0 H THR A 220 -5.236 4.732 -7.206 1.00 1.00 H new ATOM 0 HA THR A 220 -5.722 3.905 -10.038 1.00 1.00 H new ATOM 0 HB THR A 220 -3.384 3.235 -9.811 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.662 2.196 -7.744 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.319 5.283 -8.913 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.746 5.684 -9.898 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.848 5.733 -8.122 1.00 1.00 H new ATOM 345 N GLY A 221 -6.610 2.066 -7.711 1.00 1.00 N ATOM 346 CA GLY A 221 -7.110 0.708 -7.361 1.00 1.00 C ATOM 347 C GLY A 221 -5.931 -0.209 -7.032 1.00 1.00 C ATOM 348 O GLY A 221 -5.914 -1.368 -7.396 1.00 1.00 O ATOM 0 H GLY A 221 -6.929 2.816 -7.098 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.785 0.768 -6.507 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.682 0.296 -8.192 1.00 1.00 H new ATOM 352 N HIS A 222 -4.944 0.296 -6.343 1.00 1.00 N ATOM 353 CA HIS A 222 -3.769 -0.554 -5.991 1.00 1.00 C ATOM 354 C HIS A 222 -4.070 -1.364 -4.726 1.00 1.00 C ATOM 355 O HIS A 222 -5.189 -1.405 -4.257 1.00 1.00 O ATOM 356 CB HIS A 222 -2.626 0.430 -5.742 1.00 1.00 C ATOM 357 CG HIS A 222 -2.067 0.892 -7.060 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.747 0.710 -8.254 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.897 1.529 -7.387 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.986 1.229 -9.236 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.847 1.742 -8.762 1.00 1.00 N ATOM 0 H HIS A 222 -4.900 1.259 -6.009 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.523 -1.268 -6.777 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.985 1.284 -5.168 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.844 -0.046 -5.150 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.131 1.821 -6.684 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -2.263 1.230 -10.280 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.102 2.192 -9.293 1.00 1.00 H new ATOM 369 N TYR A 223 -3.082 -2.016 -4.175 1.00 1.00 N ATOM 370 CA TYR A 223 -3.317 -2.823 -2.949 1.00 1.00 C ATOM 371 C TYR A 223 -2.148 -2.666 -1.973 1.00 1.00 C ATOM 372 O TYR A 223 -1.311 -3.534 -1.859 1.00 1.00 O ATOM 373 CB TYR A 223 -3.393 -4.264 -3.445 1.00 1.00 C ATOM 374 CG TYR A 223 -4.820 -4.605 -3.799 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.302 -4.341 -5.086 1.00 1.00 C ATOM 376 CD2 TYR A 223 -5.661 -5.186 -2.843 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.624 -4.658 -5.418 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.984 -5.503 -3.174 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.465 -5.239 -4.462 1.00 1.00 C ATOM 380 OH TYR A 223 -8.768 -5.552 -4.791 1.00 1.00 O ATOM 0 H TYR A 223 -2.123 -2.023 -4.523 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.218 -2.514 -2.419 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.751 -4.393 -4.316 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.027 -4.944 -2.676 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.653 -3.892 -5.824 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -5.289 -5.390 -1.850 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.995 -4.454 -6.412 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.633 -5.951 -2.436 1.00 1.00 H new ATOM 0 HH TYR A 223 -9.215 -5.949 -4.015 1.00 1.00 H new ATOM 390 N LEU A 224 -2.082 -1.571 -1.268 1.00 1.00 N ATOM 391 CA LEU A 224 -0.960 -1.385 -0.305 1.00 1.00 C ATOM 392 C LEU A 224 -1.089 -2.389 0.842 1.00 1.00 C ATOM 393 O LEU A 224 -2.063 -3.105 0.945 1.00 1.00 O ATOM 394 CB LEU A 224 -1.103 0.045 0.216 1.00 1.00 C ATOM 395 CG LEU A 224 0.048 0.896 -0.317 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.012 0.901 -1.844 1.00 1.00 C ATOM 397 CD2 LEU A 224 -0.097 2.329 0.201 1.00 1.00 C ATOM 0 H LEU A 224 -2.751 -0.802 -1.316 1.00 1.00 H new ATOM 0 HA LEU A 224 0.013 -1.546 -0.769 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -2.058 0.465 -0.100 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.099 0.049 1.306 1.00 1.00 H new ATOM 0 HG LEU A 224 0.996 0.480 0.023 1.00 1.00 H new ATOM 0 HD11 LEU A 224 0.833 1.508 -2.225 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.113 -0.119 -2.214 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.936 1.318 -2.184 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.724 2.938 -0.178 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -1.045 2.745 -0.140 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -0.073 2.326 1.291 1.00 1.00 H new ATOM 409 N CYS A 225 -0.111 -2.450 1.704 1.00 1.00 N ATOM 410 CA CYS A 225 -0.183 -3.410 2.842 1.00 1.00 C ATOM 411 C CYS A 225 -0.546 -2.673 4.133 1.00 1.00 C ATOM 412 O CYS A 225 -0.096 -3.022 5.206 1.00 1.00 O ATOM 413 CB CYS A 225 1.221 -4.011 2.937 1.00 1.00 C ATOM 414 SG CYS A 225 2.377 -2.749 3.524 1.00 1.00 S ATOM 0 H CYS A 225 0.733 -1.878 1.670 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.944 -4.176 2.693 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.219 -4.862 3.618 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.536 -4.383 1.962 1.00 1.00 H new ATOM 419 N ASN A 226 -1.359 -1.655 4.036 1.00 1.00 N ATOM 420 CA ASN A 226 -1.758 -0.892 5.258 1.00 1.00 C ATOM 421 C ASN A 226 -0.575 -0.074 5.789 1.00 1.00 C ATOM 422 O ASN A 226 -0.667 1.124 5.965 1.00 1.00 O ATOM 423 CB ASN A 226 -2.177 -1.953 6.277 1.00 1.00 C ATOM 424 CG ASN A 226 -3.131 -1.330 7.299 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.540 -0.196 7.152 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.504 -2.029 8.335 1.00 1.00 N ATOM 0 H ASN A 226 -1.765 -1.317 3.163 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.563 -0.186 5.053 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.663 -2.787 5.771 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.298 -2.355 6.782 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.139 -1.623 9.022 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -3.160 -2.981 8.458 1.00 1.00 H new ATOM 433 N ALA A 227 0.533 -0.711 6.051 1.00 1.00 N ATOM 434 CA ALA A 227 1.716 0.029 6.576 1.00 1.00 C ATOM 435 C ALA A 227 2.170 1.097 5.577 1.00 1.00 C ATOM 436 O ALA A 227 2.635 2.154 5.954 1.00 1.00 O ATOM 437 CB ALA A 227 2.803 -1.033 6.752 1.00 1.00 C ATOM 0 H ALA A 227 0.671 -1.714 5.924 1.00 1.00 H new ATOM 0 HA ALA A 227 1.492 0.546 7.509 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.709 -0.566 7.137 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.460 -1.792 7.455 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.015 -1.499 5.790 1.00 1.00 H new ATOM 443 N CYS A 228 2.043 0.829 4.308 1.00 1.00 N ATOM 444 CA CYS A 228 2.471 1.833 3.290 1.00 1.00 C ATOM 445 C CYS A 228 1.425 2.943 3.165 1.00 1.00 C ATOM 446 O CYS A 228 1.751 4.104 3.017 1.00 1.00 O ATOM 447 CB CYS A 228 2.583 1.051 1.988 1.00 1.00 C ATOM 448 SG CYS A 228 4.152 0.147 1.955 1.00 1.00 S ATOM 0 H CYS A 228 1.663 -0.039 3.930 1.00 1.00 H new ATOM 0 HA CYS A 228 3.411 2.316 3.557 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.749 0.355 1.897 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.525 1.731 1.138 1.00 1.00 H new ATOM 453 N GLY A 229 0.168 2.596 3.226 1.00 1.00 N ATOM 454 CA GLY A 229 -0.896 3.634 3.111 1.00 1.00 C ATOM 455 C GLY A 229 -0.869 4.535 4.348 1.00 1.00 C ATOM 456 O GLY A 229 -1.427 5.615 4.351 1.00 1.00 O ATOM 0 H GLY A 229 -0.168 1.641 3.350 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.742 4.230 2.211 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.873 3.159 3.015 1.00 1.00 H new ATOM 460 N LEU A 230 -0.228 4.102 5.399 1.00 1.00 N ATOM 461 CA LEU A 230 -0.170 4.939 6.632 1.00 1.00 C ATOM 462 C LEU A 230 0.218 6.377 6.276 1.00 1.00 C ATOM 463 O LEU A 230 -0.521 7.308 6.528 1.00 1.00 O ATOM 464 CB LEU A 230 0.899 4.294 7.507 1.00 1.00 C ATOM 465 CG LEU A 230 0.297 3.939 8.867 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.265 3.039 9.637 1.00 1.00 C ATOM 467 CD2 LEU A 230 0.055 5.222 9.665 1.00 1.00 C ATOM 0 H LEU A 230 0.257 3.207 5.458 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.132 4.987 7.142 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.288 3.397 7.024 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.739 4.976 7.636 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.647 3.415 8.720 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.835 2.787 10.606 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.442 2.125 9.070 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.209 3.563 9.785 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.374 4.972 10.635 1.00 1.00 H new ATOM 0 HD22 LEU A 230 1.001 5.744 9.810 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.634 5.866 9.119 1.00 1.00 H new ATOM 479 N TYR A 231 1.370 6.568 5.691 1.00 1.00 N ATOM 480 CA TYR A 231 1.793 7.949 5.321 1.00 1.00 C ATOM 481 C TYR A 231 0.696 8.629 4.496 1.00 1.00 C ATOM 482 O TYR A 231 0.382 9.785 4.696 1.00 1.00 O ATOM 483 CB TYR A 231 3.060 7.768 4.485 1.00 1.00 C ATOM 484 CG TYR A 231 3.949 8.976 4.649 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.716 9.129 5.811 1.00 1.00 C ATOM 486 CD2 TYR A 231 4.007 9.944 3.639 1.00 1.00 C ATOM 487 CE1 TYR A 231 5.540 10.250 5.961 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.833 11.065 3.790 1.00 1.00 C ATOM 489 CZ TYR A 231 5.599 11.218 4.951 1.00 1.00 C ATOM 490 OH TYR A 231 6.412 12.323 5.100 1.00 1.00 O ATOM 0 H TYR A 231 2.034 5.831 5.454 1.00 1.00 H new ATOM 0 HA TYR A 231 1.971 8.576 6.195 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.590 6.868 4.798 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.800 7.635 3.435 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.671 8.383 6.590 1.00 1.00 H new ATOM 0 HD2 TYR A 231 3.415 9.826 2.744 1.00 1.00 H new ATOM 0 HE1 TYR A 231 6.131 10.369 6.857 1.00 1.00 H new ATOM 0 HE2 TYR A 231 4.879 11.811 3.011 1.00 1.00 H new ATOM 0 HH TYR A 231 6.336 12.894 4.307 1.00 1.00 H new ATOM 500 N HIS A 232 0.109 7.916 3.574 1.00 1.00 N ATOM 501 CA HIS A 232 -0.966 8.516 2.740 1.00 1.00 C ATOM 502 C HIS A 232 -2.222 8.750 3.582 1.00 1.00 C ATOM 503 O HIS A 232 -3.065 9.559 3.248 1.00 1.00 O ATOM 504 CB HIS A 232 -1.239 7.484 1.644 1.00 1.00 C ATOM 505 CG HIS A 232 -2.135 8.085 0.597 1.00 1.00 C ATOM 506 ND1 HIS A 232 -1.878 8.928 -0.458 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.498 7.839 0.560 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.060 9.199 -1.139 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.005 8.519 -0.486 1.00 1.00 N flip ATOM 0 H HIS A 232 0.329 6.943 3.363 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.677 9.483 2.327 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.301 7.161 1.192 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -1.707 6.598 2.073 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -0.960 9.298 -0.704 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.053 7.215 1.245 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.186 9.825 -2.010 1.00 1.00 H new ATOM 517 N LYS A 233 -2.355 8.045 4.674 1.00 1.00 N ATOM 518 CA LYS A 233 -3.556 8.226 5.538 1.00 1.00 C ATOM 519 C LYS A 233 -3.420 9.501 6.375 1.00 1.00 C ATOM 520 O LYS A 233 -4.399 10.093 6.785 1.00 1.00 O ATOM 521 CB LYS A 233 -3.585 6.991 6.440 1.00 1.00 C ATOM 522 CG LYS A 233 -3.873 5.749 5.595 1.00 1.00 C ATOM 523 CD LYS A 233 -5.373 5.448 5.623 1.00 1.00 C ATOM 524 CE LYS A 233 -5.593 3.981 6.004 1.00 1.00 C ATOM 525 NZ LYS A 233 -7.071 3.824 6.088 1.00 1.00 N ATOM 0 H LYS A 233 -1.684 7.352 5.004 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.472 8.327 4.956 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.630 6.881 6.954 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.349 7.107 7.208 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.543 5.910 4.569 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.313 4.897 5.980 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -5.872 6.100 6.340 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.814 5.651 4.647 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.166 3.311 5.258 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.116 3.744 6.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -7.302 2.843 6.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -7.448 4.469 6.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -7.497 4.050 5.166 1.00 1.00 H new ATOM 539 N MET A 234 -2.215 9.929 6.633 1.00 1.00 N ATOM 540 CA MET A 234 -2.020 11.164 7.443 1.00 1.00 C ATOM 541 C MET A 234 -1.598 12.329 6.545 1.00 1.00 C ATOM 542 O MET A 234 -2.343 13.267 6.334 1.00 1.00 O ATOM 543 CB MET A 234 -0.907 10.814 8.429 1.00 1.00 C ATOM 544 CG MET A 234 -1.493 10.011 9.590 1.00 1.00 C ATOM 545 SD MET A 234 -1.473 11.018 11.093 1.00 1.00 S ATOM 546 CE MET A 234 -3.220 10.821 11.520 1.00 1.00 C ATOM 0 H MET A 234 -1.357 9.477 6.318 1.00 1.00 H new ATOM 0 HA MET A 234 -2.933 11.474 7.950 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.130 10.236 7.928 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.437 11.724 8.802 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.513 9.707 9.357 1.00 1.00 H new ATOM 0 HG3 MET A 234 -0.916 9.099 9.743 1.00 1.00 H new ATOM 0 HE1 MET A 234 -3.435 11.372 12.436 1.00 1.00 H new ATOM 0 HE2 MET A 234 -3.838 11.208 10.710 1.00 1.00 H new ATOM 0 HE3 MET A 234 -3.441 9.764 11.672 1.00 1.00 H new ATOM 556 N ASN A 235 -0.410 12.277 6.016 1.00 1.00 N ATOM 557 CA ASN A 235 0.064 13.380 5.131 1.00 1.00 C ATOM 558 C ASN A 235 -0.662 13.326 3.784 1.00 1.00 C ATOM 559 O ASN A 235 -0.876 14.334 3.142 1.00 1.00 O ATOM 560 CB ASN A 235 1.560 13.123 4.943 1.00 1.00 C ATOM 561 CG ASN A 235 2.340 13.791 6.074 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.227 14.981 6.286 1.00 1.00 O ATOM 563 ND2 ASN A 235 3.133 13.068 6.818 1.00 1.00 N ATOM 0 H ASN A 235 0.256 11.518 6.157 1.00 1.00 H new ATOM 0 HA ASN A 235 -0.130 14.364 5.558 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.757 12.051 4.935 1.00 1.00 H new ATOM 0 HB3 ASN A 235 1.889 13.514 3.980 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.657 13.503 7.577 1.00 1.00 H new ATOM 0 HD22 ASN A 235 3.228 12.068 6.640 1.00 1.00 H new ATOM 570 N GLY A 236 -1.045 12.155 3.355 1.00 1.00 N ATOM 571 CA GLY A 236 -1.757 12.033 2.058 1.00 1.00 C ATOM 572 C GLY A 236 -0.754 11.747 0.937 1.00 1.00 C ATOM 573 O GLY A 236 -1.126 11.389 -0.162 1.00 1.00 O ATOM 0 H GLY A 236 -0.894 11.276 3.851 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.494 11.231 2.112 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.302 12.953 1.844 1.00 1.00 H new ATOM 577 N GLN A 237 0.514 11.900 1.206 1.00 1.00 N ATOM 578 CA GLN A 237 1.534 11.635 0.151 1.00 1.00 C ATOM 579 C GLN A 237 1.735 10.126 -0.020 1.00 1.00 C ATOM 580 O GLN A 237 0.980 9.328 0.497 1.00 1.00 O ATOM 581 CB GLN A 237 2.816 12.294 0.659 1.00 1.00 C ATOM 582 CG GLN A 237 2.677 13.816 0.571 1.00 1.00 C ATOM 583 CD GLN A 237 3.298 14.311 -0.738 1.00 1.00 C ATOM 584 OE1 GLN A 237 2.641 14.351 -1.757 1.00 1.00 O ATOM 585 NE2 GLN A 237 4.547 14.692 -0.750 1.00 1.00 N ATOM 0 H GLN A 237 0.887 12.196 2.108 1.00 1.00 H new ATOM 0 HA GLN A 237 1.235 12.029 -0.820 1.00 1.00 H new ATOM 0 HB2 GLN A 237 3.008 11.995 1.689 1.00 1.00 H new ATOM 0 HB3 GLN A 237 3.668 11.961 0.066 1.00 1.00 H new ATOM 0 HG2 GLN A 237 1.625 14.099 0.617 1.00 1.00 H new ATOM 0 HG3 GLN A 237 3.171 14.287 1.421 1.00 1.00 H new ATOM 0 HE21 GLN A 237 5.099 14.658 0.107 1.00 1.00 H new ATOM 0 HE22 GLN A 237 4.971 15.024 -1.617 1.00 1.00 H new ATOM 594 N ASN A 238 2.746 9.731 -0.744 1.00 1.00 N ATOM 595 CA ASN A 238 2.992 8.276 -0.950 1.00 1.00 C ATOM 596 C ASN A 238 3.938 7.739 0.127 1.00 1.00 C ATOM 597 O ASN A 238 4.248 8.413 1.090 1.00 1.00 O ATOM 598 CB ASN A 238 3.649 8.185 -2.328 1.00 1.00 C ATOM 599 CG ASN A 238 2.625 8.538 -3.407 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.841 7.703 -3.814 1.00 1.00 O ATOM 601 ND2 ASN A 238 2.600 9.747 -3.894 1.00 1.00 N ATOM 0 H ASN A 238 3.412 10.353 -1.202 1.00 1.00 H new ATOM 0 HA ASN A 238 2.076 7.688 -0.889 1.00 1.00 H new ATOM 0 HB2 ASN A 238 4.499 8.865 -2.383 1.00 1.00 H new ATOM 0 HB3 ASN A 238 4.034 7.179 -2.493 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.923 9.992 -4.616 1.00 1.00 H new ATOM 0 HD22 ASN A 238 3.258 10.448 -3.553 1.00 1.00 H new ATOM 608 N ARG A 239 4.403 6.531 -0.033 1.00 1.00 N ATOM 609 CA ARG A 239 5.334 5.945 0.974 1.00 1.00 C ATOM 610 C ARG A 239 6.600 5.438 0.275 1.00 1.00 C ATOM 611 O ARG A 239 6.525 4.620 -0.621 1.00 1.00 O ATOM 612 CB ARG A 239 4.567 4.780 1.602 1.00 1.00 C ATOM 613 CG ARG A 239 4.238 5.109 3.061 1.00 1.00 C ATOM 614 CD ARG A 239 5.526 5.464 3.809 1.00 1.00 C ATOM 615 NE ARG A 239 5.443 4.716 5.095 1.00 1.00 N ATOM 616 CZ ARG A 239 6.487 4.075 5.545 1.00 1.00 C ATOM 617 NH1 ARG A 239 7.480 4.735 6.075 1.00 1.00 N ATOM 618 NH2 ARG A 239 6.538 2.774 5.464 1.00 1.00 N ATOM 0 H ARG A 239 4.178 5.922 -0.820 1.00 1.00 H new ATOM 0 HA ARG A 239 5.646 6.672 1.724 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.649 4.593 1.045 1.00 1.00 H new ATOM 0 HB3 ARG A 239 5.163 3.869 1.549 1.00 1.00 H new ATOM 0 HG2 ARG A 239 3.537 5.942 3.108 1.00 1.00 H new ATOM 0 HG3 ARG A 239 3.752 4.257 3.536 1.00 1.00 H new ATOM 0 HD2 ARG A 239 6.407 5.171 3.238 1.00 1.00 H new ATOM 0 HD3 ARG A 239 5.600 6.538 3.981 1.00 1.00 H new ATOM 0 HE ARG A 239 4.571 4.705 5.623 1.00 1.00 H new ATOM 0 HH11 ARG A 239 7.440 5.752 6.138 1.00 1.00 H new ATOM 0 HH12 ARG A 239 8.296 4.234 6.427 1.00 1.00 H new ATOM 0 HH21 ARG A 239 5.762 2.258 5.049 1.00 1.00 H new ATOM 0 HH22 ARG A 239 7.354 2.273 5.816 1.00 1.00 H new ATOM 632 N PRO A 240 7.724 5.941 0.707 1.00 1.00 N ATOM 633 CA PRO A 240 9.017 5.531 0.109 1.00 1.00 C ATOM 634 C PRO A 240 9.364 4.096 0.508 1.00 1.00 C ATOM 635 O PRO A 240 8.779 3.532 1.412 1.00 1.00 O ATOM 636 CB PRO A 240 10.017 6.519 0.700 1.00 1.00 C ATOM 637 CG PRO A 240 9.391 6.985 1.977 1.00 1.00 C ATOM 638 CD PRO A 240 7.899 6.927 1.781 1.00 1.00 C ATOM 0 HA PRO A 240 9.006 5.545 -0.981 1.00 1.00 H new ATOM 0 HB2 PRO A 240 10.981 6.044 0.883 1.00 1.00 H new ATOM 0 HB3 PRO A 240 10.197 7.353 0.021 1.00 1.00 H new ATOM 0 HG2 PRO A 240 9.696 6.351 2.810 1.00 1.00 H new ATOM 0 HG3 PRO A 240 9.710 8.000 2.215 1.00 1.00 H new ATOM 0 HD2 PRO A 240 7.388 6.620 2.693 1.00 1.00 H new ATOM 0 HD3 PRO A 240 7.494 7.900 1.501 1.00 1.00 H new ATOM 646 N LEU A 241 10.309 3.505 -0.164 1.00 1.00 N ATOM 647 CA LEU A 241 10.699 2.111 0.166 1.00 1.00 C ATOM 648 C LEU A 241 12.117 2.078 0.743 1.00 1.00 C ATOM 649 O LEU A 241 12.727 3.104 0.975 1.00 1.00 O ATOM 650 CB LEU A 241 10.642 1.356 -1.164 1.00 1.00 C ATOM 651 CG LEU A 241 9.188 1.241 -1.631 1.00 1.00 C ATOM 652 CD1 LEU A 241 8.311 0.762 -0.472 1.00 1.00 C ATOM 653 CD2 LEU A 241 8.698 2.611 -2.106 1.00 1.00 C ATOM 0 H LEU A 241 10.830 3.930 -0.931 1.00 1.00 H new ATOM 0 HA LEU A 241 10.043 1.667 0.915 1.00 1.00 H new ATOM 0 HB2 LEU A 241 11.235 1.878 -1.915 1.00 1.00 H new ATOM 0 HB3 LEU A 241 11.076 0.363 -1.048 1.00 1.00 H new ATOM 0 HG LEU A 241 9.127 0.525 -2.450 1.00 1.00 H new ATOM 0 HD11 LEU A 241 7.277 0.681 -0.807 1.00 1.00 H new ATOM 0 HD12 LEU A 241 8.659 -0.213 -0.131 1.00 1.00 H new ATOM 0 HD13 LEU A 241 8.371 1.476 0.349 1.00 1.00 H new ATOM 0 HD21 LEU A 241 7.663 2.532 -2.439 1.00 1.00 H new ATOM 0 HD22 LEU A 241 8.761 3.325 -1.285 1.00 1.00 H new ATOM 0 HD23 LEU A 241 9.320 2.953 -2.933 1.00 1.00 H new ATOM 665 N ILE A 242 12.643 0.909 0.981 1.00 1.00 N ATOM 666 CA ILE A 242 14.014 0.807 1.543 1.00 1.00 C ATOM 667 C ILE A 242 15.004 0.379 0.457 1.00 1.00 C ATOM 668 O ILE A 242 16.183 0.661 0.534 1.00 1.00 O ATOM 669 CB ILE A 242 13.917 -0.260 2.632 1.00 1.00 C ATOM 670 CG1 ILE A 242 12.751 0.074 3.567 1.00 1.00 C ATOM 671 CG2 ILE A 242 15.219 -0.294 3.432 1.00 1.00 C ATOM 672 CD1 ILE A 242 11.500 -0.681 3.114 1.00 1.00 C ATOM 0 H ILE A 242 12.178 0.017 0.809 1.00 1.00 H new ATOM 0 HA ILE A 242 14.370 1.759 1.936 1.00 1.00 H new ATOM 0 HB ILE A 242 13.749 -1.234 2.173 1.00 1.00 H new ATOM 0 HG12 ILE A 242 13.003 -0.200 4.592 1.00 1.00 H new ATOM 0 HG13 ILE A 242 12.563 1.148 3.561 1.00 1.00 H new ATOM 0 HG21 ILE A 242 15.149 -1.055 4.209 1.00 1.00 H new ATOM 0 HG22 ILE A 242 16.049 -0.530 2.766 1.00 1.00 H new ATOM 0 HG23 ILE A 242 15.389 0.679 3.892 1.00 1.00 H new ATOM 0 HD11 ILE A 242 10.670 -0.443 3.780 1.00 1.00 H new ATOM 0 HD12 ILE A 242 11.245 -0.385 2.096 1.00 1.00 H new ATOM 0 HD13 ILE A 242 11.692 -1.754 3.143 1.00 1.00 H new ATOM 684 N ARG A 243 14.535 -0.298 -0.556 1.00 1.00 N ATOM 685 CA ARG A 243 15.451 -0.742 -1.645 1.00 1.00 C ATOM 686 C ARG A 243 14.993 -0.172 -2.989 1.00 1.00 C ATOM 687 O ARG A 243 15.195 -0.835 -3.992 1.00 1.00 O ATOM 688 CB ARG A 243 15.354 -2.265 -1.648 1.00 1.00 C ATOM 689 CG ARG A 243 16.740 -2.866 -1.401 1.00 1.00 C ATOM 690 CD ARG A 243 16.598 -4.168 -0.608 1.00 1.00 C ATOM 691 NE ARG A 243 17.959 -4.433 -0.065 1.00 1.00 N ATOM 692 CZ ARG A 243 18.858 -5.019 -0.810 1.00 1.00 C ATOM 693 NH1 ARG A 243 18.821 -6.313 -0.986 1.00 1.00 N ATOM 694 NH2 ARG A 243 19.794 -4.310 -1.381 1.00 1.00 N ATOM 695 OXT ARG A 243 14.448 0.920 -2.993 1.00 0.00 O ATOM 0 H ARG A 243 13.557 -0.563 -0.676 1.00 1.00 H new ATOM 0 HA ARG A 243 16.474 -0.399 -1.488 1.00 1.00 H new ATOM 0 HB2 ARG A 243 14.659 -2.597 -0.877 1.00 1.00 H new ATOM 0 HB3 ARG A 243 14.960 -2.613 -2.603 1.00 1.00 H new ATOM 0 HG2 ARG A 243 17.239 -3.059 -2.351 1.00 1.00 H new ATOM 0 HG3 ARG A 243 17.362 -2.159 -0.852 1.00 1.00 H new ATOM 0 HD2 ARG A 243 15.866 -4.066 0.193 1.00 1.00 H new ATOM 0 HD3 ARG A 243 16.261 -4.985 -1.246 1.00 1.00 H new ATOM 0 HE ARG A 243 18.190 -4.157 0.889 1.00 1.00 H new ATOM 0 HH11 ARG A 243 18.089 -6.867 -0.541 1.00 1.00 H new ATOM 0 HH12 ARG A 243 19.524 -6.769 -1.568 1.00 1.00 H new ATOM 0 HH21 ARG A 243 19.823 -3.299 -1.245 1.00 1.00 H new ATOM 0 HH22 ARG A 243 20.496 -4.767 -1.963 1.00 1.00 H new TER 709 ARG A 243 HETATM 710 ZN ZN A 244 3.607 -2.066 1.704 1.00 1.00 ZN