USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 556 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 57 HIS : no HD1:sc= 0.786 K(o=-10,f=-17!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12.4! C(o=-10!,f=-11!) USER MOD Set 1.3: A 85 SER OG : rot -98:sc= 1.27 USER MOD Set 2.1: A 31 THR OG1 : rot 150:sc= 1.23 USER MOD Set 2.2: A 34 HIS : no HE2:sc= 0.147 K(o=1.4,f=-0.12) USER MOD Single : A 10 HIS : no HE2:sc= -1.97 K(o=-2,f=-2.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 21:sc= 0.161 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00639 USER MOD Single : A 36 CYS SG : rot 45:sc= -5.17! USER MOD Single : A 38 MET CE :methyl -130:sc= -2.75! (180deg=-5.99!) USER MOD Single : A 56 CYS SG : rot -162:sc= -4.77! USER MOD Single : A 69 HIS : no HD1:sc= -2.87! X(o=-2.9!,f=-3.2) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -9.706 -15.929 1.746 1.00 0.00 N ATOM 67 CA ARG A 8 -8.635 -15.348 0.954 1.00 0.00 C ATOM 68 C ARG A 8 -8.034 -14.141 1.676 1.00 0.00 C ATOM 69 O ARG A 8 -8.730 -13.445 2.414 1.00 0.00 O ATOM 70 CB ARG A 8 -9.143 -14.910 -0.422 1.00 0.00 C ATOM 71 CG ARG A 8 -9.491 -16.121 -1.289 1.00 0.00 C ATOM 72 CD ARG A 8 -10.879 -15.967 -1.914 1.00 0.00 C ATOM 73 NE ARG A 8 -10.754 -15.690 -3.363 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.361 -16.595 -4.269 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.052 -17.841 -3.883 1.00 0.00 N ATOM 76 NH2 ARG A 8 -10.276 -16.255 -5.563 1.00 0.00 N ATOM 0 HA ARG A 8 -7.870 -16.113 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.023 -14.278 -0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.382 -14.308 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.745 -16.236 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.459 -17.027 -0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.460 -16.876 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.419 -15.156 -1.426 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.981 -14.752 -3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.116 -18.101 -2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.753 -18.529 -4.574 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.511 -15.307 -5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.977 -16.944 -6.253 1.00 0.00 H new ATOM 90 N PRO A 9 -6.714 -13.924 1.433 1.00 0.00 N ATOM 91 CA PRO A 9 -6.011 -12.813 2.052 1.00 0.00 C ATOM 92 C PRO A 9 -6.387 -11.488 1.386 1.00 0.00 C ATOM 93 O PRO A 9 -7.120 -11.471 0.398 1.00 0.00 O ATOM 94 CB PRO A 9 -4.536 -13.152 1.909 1.00 0.00 C ATOM 95 CG PRO A 9 -4.454 -14.202 0.813 1.00 0.00 C ATOM 96 CD PRO A 9 -5.858 -14.728 0.565 1.00 0.00 C ATOM 0 HA PRO A 9 -6.275 -12.680 3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.956 -12.267 1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.130 -13.533 2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.042 -13.770 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.790 -15.013 1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.142 -14.620 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.932 -15.788 0.807 1.00 0.00 H new ATOM 104 N HIS A 10 -5.868 -10.409 1.954 1.00 0.00 N ATOM 105 CA HIS A 10 -6.140 -9.082 1.428 1.00 0.00 C ATOM 106 C HIS A 10 -4.893 -8.543 0.725 1.00 0.00 C ATOM 107 O HIS A 10 -3.901 -8.218 1.375 1.00 0.00 O ATOM 108 CB HIS A 10 -6.646 -8.153 2.533 1.00 0.00 C ATOM 109 CG HIS A 10 -8.005 -8.526 3.075 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.151 -8.512 2.299 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.389 -8.924 4.322 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.173 -8.885 3.056 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.698 -9.140 4.309 1.00 0.00 N ATOM 0 H HIS A 10 -5.261 -10.427 2.773 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.937 -9.137 0.687 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.927 -8.154 3.352 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.687 -7.135 2.147 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -9.201 -8.258 1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.738 -9.043 5.175 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.201 -8.972 2.737 1.00 0.00 H new ATOM 121 N VAL A 11 -4.983 -8.465 -0.595 1.00 0.00 N ATOM 122 CA VAL A 11 -3.874 -7.971 -1.393 1.00 0.00 C ATOM 123 C VAL A 11 -3.987 -6.452 -1.530 1.00 0.00 C ATOM 124 O VAL A 11 -4.644 -5.954 -2.443 1.00 0.00 O ATOM 125 CB VAL A 11 -3.840 -8.692 -2.743 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.845 -8.025 -3.695 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.515 -10.176 -2.563 1.00 0.00 C ATOM 0 H VAL A 11 -5.807 -8.736 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.925 -8.183 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.832 -8.617 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.840 -8.556 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.138 -6.988 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.847 -8.055 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.497 -10.665 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.540 -10.280 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.276 -10.642 -1.937 1.00 0.00 H new ATOM 137 N VAL A 12 -3.336 -5.757 -0.609 1.00 0.00 N ATOM 138 CA VAL A 12 -3.355 -4.304 -0.615 1.00 0.00 C ATOM 139 C VAL A 12 -2.395 -3.791 -1.690 1.00 0.00 C ATOM 140 O VAL A 12 -1.232 -4.189 -1.731 1.00 0.00 O ATOM 141 CB VAL A 12 -3.029 -3.771 0.782 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.026 -2.241 0.797 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.002 -4.328 1.822 1.00 0.00 C ATOM 0 H VAL A 12 -2.792 -6.173 0.147 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.350 -3.935 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.027 -4.111 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.792 -1.887 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.276 -1.872 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.009 -1.872 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.748 -3.934 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.019 -4.032 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.934 -5.416 1.838 1.00 0.00 H new ATOM 153 N LYS A 13 -2.918 -2.914 -2.535 1.00 0.00 N ATOM 154 CA LYS A 13 -2.122 -2.342 -3.607 1.00 0.00 C ATOM 155 C LYS A 13 -1.679 -0.932 -3.211 1.00 0.00 C ATOM 156 O LYS A 13 -2.501 -0.106 -2.816 1.00 0.00 O ATOM 157 CB LYS A 13 -2.888 -2.396 -4.931 1.00 0.00 C ATOM 158 CG LYS A 13 -3.146 -3.843 -5.355 1.00 0.00 C ATOM 159 CD LYS A 13 -4.435 -3.954 -6.171 1.00 0.00 C ATOM 160 CE LYS A 13 -4.129 -4.217 -7.647 1.00 0.00 C ATOM 161 NZ LYS A 13 -5.222 -4.994 -8.273 1.00 0.00 N ATOM 0 H LYS A 13 -3.883 -2.586 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.217 -2.929 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.836 -1.868 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.319 -1.882 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.305 -4.208 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.215 -4.478 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.052 -4.760 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.011 -3.034 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.001 -3.270 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.189 -4.762 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.998 -5.164 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.325 -5.905 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.112 -4.460 -8.203 1.00 0.00 H new ATOM 175 N VAL A 14 -0.380 -0.699 -3.330 1.00 0.00 N ATOM 176 CA VAL A 14 0.183 0.597 -2.990 1.00 0.00 C ATOM 177 C VAL A 14 0.967 1.138 -4.187 1.00 0.00 C ATOM 178 O VAL A 14 1.745 0.412 -4.803 1.00 0.00 O ATOM 179 CB VAL A 14 1.031 0.482 -1.722 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.946 1.698 -1.563 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.149 0.294 -0.486 1.00 0.00 C ATOM 0 H VAL A 14 0.299 -1.386 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.610 1.312 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 14 1.661 -0.402 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.538 1.591 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.612 1.768 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.341 2.602 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.778 0.215 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.519 1.149 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.441 -0.616 -0.595 1.00 0.00 H new ATOM 191 N TYR A 15 0.734 2.409 -4.480 1.00 0.00 N ATOM 192 CA TYR A 15 1.409 3.056 -5.592 1.00 0.00 C ATOM 193 C TYR A 15 2.390 4.119 -5.095 1.00 0.00 C ATOM 194 O TYR A 15 2.106 4.830 -4.132 1.00 0.00 O ATOM 195 CB TYR A 15 0.311 3.737 -6.413 1.00 0.00 C ATOM 196 CG TYR A 15 -0.714 2.768 -7.006 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.768 2.322 -6.235 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.584 2.340 -8.312 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.733 1.410 -6.794 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.548 1.428 -8.870 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.575 1.008 -8.083 1.00 0.00 C ATOM 202 OH TYR A 15 -3.486 0.147 -8.610 1.00 0.00 O ATOM 0 H TYR A 15 0.087 3.008 -3.967 1.00 0.00 H new ATOM 0 HA TYR A 15 1.976 2.328 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.208 4.457 -5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.774 4.301 -7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.869 2.656 -5.213 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.241 2.689 -8.915 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.563 1.054 -6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.458 1.085 -9.890 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.248 -0.053 -9.539 1.00 0.00 H new ATOM 212 N SER A 16 3.526 4.194 -5.773 1.00 0.00 N ATOM 213 CA SER A 16 4.551 5.158 -5.413 1.00 0.00 C ATOM 214 C SER A 16 4.476 6.374 -6.339 1.00 0.00 C ATOM 215 O SER A 16 4.045 6.259 -7.485 1.00 0.00 O ATOM 216 CB SER A 16 5.944 4.530 -5.474 1.00 0.00 C ATOM 217 OG SER A 16 6.739 4.883 -4.345 1.00 0.00 O ATOM 0 H SER A 16 3.759 3.602 -6.570 1.00 0.00 H new ATOM 0 HA SER A 16 4.372 5.479 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.851 3.445 -5.527 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.447 4.851 -6.386 1.00 0.00 H new ATOM 0 HG SER A 16 7.620 4.461 -4.421 1.00 0.00 H new ATOM 223 N GLU A 17 4.902 7.510 -5.808 1.00 0.00 N ATOM 224 CA GLU A 17 4.889 8.745 -6.573 1.00 0.00 C ATOM 225 C GLU A 17 5.404 8.497 -7.992 1.00 0.00 C ATOM 226 O GLU A 17 4.798 8.946 -8.963 1.00 0.00 O ATOM 227 CB GLU A 17 5.709 9.832 -5.874 1.00 0.00 C ATOM 228 CG GLU A 17 4.797 10.883 -5.238 1.00 0.00 C ATOM 229 CD GLU A 17 5.359 12.292 -5.442 1.00 0.00 C ATOM 230 OE1 GLU A 17 5.387 12.727 -6.614 1.00 0.00 O ATOM 231 OE2 GLU A 17 5.748 12.901 -4.423 1.00 0.00 O ATOM 0 H GLU A 17 5.259 7.601 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 17 3.860 9.098 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.339 9.381 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.374 10.310 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.801 10.818 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.691 10.681 -4.172 1.00 0.00 H new ATOM 238 N ASP A 18 6.517 7.782 -8.066 1.00 0.00 N ATOM 239 CA ASP A 18 7.120 7.468 -9.350 1.00 0.00 C ATOM 240 C ASP A 18 6.067 6.838 -10.263 1.00 0.00 C ATOM 241 O ASP A 18 5.978 7.178 -11.442 1.00 0.00 O ATOM 242 CB ASP A 18 8.267 6.468 -9.190 1.00 0.00 C ATOM 243 CG ASP A 18 9.432 6.659 -10.163 1.00 0.00 C ATOM 244 OD1 ASP A 18 10.071 7.730 -10.079 1.00 0.00 O ATOM 245 OD2 ASP A 18 9.658 5.730 -10.968 1.00 0.00 O ATOM 0 H ASP A 18 7.017 7.411 -7.258 1.00 0.00 H new ATOM 0 HA ASP A 18 7.506 8.394 -9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.649 6.536 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.871 5.460 -9.315 1.00 0.00 H new ATOM 250 N GLY A 19 5.294 5.930 -9.684 1.00 0.00 N ATOM 251 CA GLY A 19 4.251 5.249 -10.431 1.00 0.00 C ATOM 252 C GLY A 19 4.264 3.746 -10.146 1.00 0.00 C ATOM 253 O GLY A 19 3.220 3.096 -10.172 1.00 0.00 O ATOM 0 H GLY A 19 5.370 5.651 -8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.279 5.664 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.391 5.422 -11.498 1.00 0.00 H new ATOM 257 N ALA A 20 5.458 3.237 -9.881 1.00 0.00 N ATOM 258 CA ALA A 20 5.621 1.823 -9.591 1.00 0.00 C ATOM 259 C ALA A 20 4.529 1.376 -8.618 1.00 0.00 C ATOM 260 O ALA A 20 4.215 2.086 -7.663 1.00 0.00 O ATOM 261 CB ALA A 20 7.028 1.573 -9.043 1.00 0.00 C ATOM 0 H ALA A 20 6.322 3.779 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 20 5.515 1.231 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.150 0.512 -8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.767 1.879 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.170 2.150 -8.129 1.00 0.00 H new ATOM 267 N CYS A 21 3.979 0.203 -8.893 1.00 0.00 N ATOM 268 CA CYS A 21 2.927 -0.346 -8.054 1.00 0.00 C ATOM 269 C CYS A 21 3.527 -1.472 -7.209 1.00 0.00 C ATOM 270 O CYS A 21 4.421 -2.185 -7.662 1.00 0.00 O ATOM 271 CB CYS A 21 1.735 -0.828 -8.883 1.00 0.00 C ATOM 272 SG CYS A 21 2.232 -2.243 -9.932 1.00 0.00 S ATOM 0 H CYS A 21 4.242 -0.383 -9.685 1.00 0.00 H new ATOM 0 HA CYS A 21 2.537 0.433 -7.398 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.919 -1.123 -8.224 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.363 -0.015 -9.507 1.00 0.00 H new ATOM 0 HG CYS A 21 3.296 -2.799 -9.434 1.00 0.00 H new ATOM 278 N ARG A 22 3.009 -1.598 -5.996 1.00 0.00 N ATOM 279 CA ARG A 22 3.482 -2.625 -5.083 1.00 0.00 C ATOM 280 C ARG A 22 2.324 -3.154 -4.233 1.00 0.00 C ATOM 281 O ARG A 22 1.459 -2.388 -3.812 1.00 0.00 O ATOM 282 CB ARG A 22 4.576 -2.082 -4.162 1.00 0.00 C ATOM 283 CG ARG A 22 5.888 -1.887 -4.925 1.00 0.00 C ATOM 284 CD ARG A 22 6.763 -0.831 -4.247 1.00 0.00 C ATOM 285 NE ARG A 22 8.177 -1.012 -4.648 1.00 0.00 N ATOM 286 CZ ARG A 22 8.983 -1.958 -4.149 1.00 0.00 C ATOM 287 NH1 ARG A 22 8.522 -2.815 -3.228 1.00 0.00 N ATOM 288 NH2 ARG A 22 10.252 -2.048 -4.572 1.00 0.00 N ATOM 0 H ARG A 22 2.266 -1.006 -5.624 1.00 0.00 H new ATOM 0 HA ARG A 22 3.897 -3.436 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.256 -1.133 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.733 -2.771 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.427 -2.833 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.675 -1.585 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.423 0.167 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.670 -0.911 -3.164 1.00 0.00 H new ATOM 0 HE ARG A 22 8.561 -0.377 -5.348 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.556 -2.747 -2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.137 -3.535 -2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.603 -1.396 -5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.866 -2.768 -4.192 1.00 0.00 H new ATOM 302 N SER A 23 2.347 -4.459 -4.006 1.00 0.00 N ATOM 303 CA SER A 23 1.310 -5.098 -3.214 1.00 0.00 C ATOM 304 C SER A 23 1.943 -5.916 -2.087 1.00 0.00 C ATOM 305 O SER A 23 3.092 -6.340 -2.192 1.00 0.00 O ATOM 306 CB SER A 23 0.424 -5.991 -4.085 1.00 0.00 C ATOM 307 OG SER A 23 -0.123 -5.283 -5.194 1.00 0.00 O ATOM 0 H SER A 23 3.067 -5.091 -4.356 1.00 0.00 H new ATOM 0 HA SER A 23 0.681 -4.320 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.008 -6.837 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.386 -6.398 -3.480 1.00 0.00 H new ATOM 0 HG SER A 23 -0.681 -5.888 -5.726 1.00 0.00 H new ATOM 313 N VAL A 24 1.164 -6.113 -1.033 1.00 0.00 N ATOM 314 CA VAL A 24 1.634 -6.873 0.113 1.00 0.00 C ATOM 315 C VAL A 24 0.516 -7.797 0.600 1.00 0.00 C ATOM 316 O VAL A 24 -0.644 -7.393 0.665 1.00 0.00 O ATOM 317 CB VAL A 24 2.139 -5.922 1.200 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.514 -5.356 0.837 1.00 0.00 C ATOM 319 CG2 VAL A 24 1.133 -4.798 1.456 1.00 0.00 C ATOM 0 H VAL A 24 0.211 -5.760 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 24 2.478 -7.503 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 24 2.244 -6.493 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.850 -4.683 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.227 -6.173 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.445 -4.808 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.516 -4.136 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.981 -4.230 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.184 -5.226 1.780 1.00 0.00 H new ATOM 329 N GLU A 25 0.904 -9.020 0.930 1.00 0.00 N ATOM 330 CA GLU A 25 -0.050 -10.005 1.409 1.00 0.00 C ATOM 331 C GLU A 25 -0.273 -9.840 2.913 1.00 0.00 C ATOM 332 O GLU A 25 0.589 -10.198 3.715 1.00 0.00 O ATOM 333 CB GLU A 25 0.412 -11.425 1.075 1.00 0.00 C ATOM 334 CG GLU A 25 -0.550 -12.098 0.094 1.00 0.00 C ATOM 335 CD GLU A 25 -0.665 -13.597 0.381 1.00 0.00 C ATOM 336 OE1 GLU A 25 -1.190 -13.928 1.466 1.00 0.00 O ATOM 337 OE2 GLU A 25 -0.227 -14.377 -0.491 1.00 0.00 O ATOM 0 H GLU A 25 1.867 -9.351 0.875 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.000 -9.839 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.413 -11.394 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.476 -12.015 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.533 -11.634 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.200 -11.945 -0.927 1.00 0.00 H new ATOM 344 N VAL A 26 -1.434 -9.299 3.252 1.00 0.00 N ATOM 345 CA VAL A 26 -1.781 -9.083 4.646 1.00 0.00 C ATOM 346 C VAL A 26 -3.187 -9.627 4.908 1.00 0.00 C ATOM 347 O VAL A 26 -3.943 -9.879 3.971 1.00 0.00 O ATOM 348 CB VAL A 26 -1.639 -7.600 4.997 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.168 -7.179 5.013 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.448 -6.729 4.034 1.00 0.00 C ATOM 0 H VAL A 26 -2.147 -9.004 2.585 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.096 -9.625 5.298 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.041 -7.453 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.095 -6.121 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.371 -7.767 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.270 -7.349 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.330 -5.680 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.090 -6.883 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.501 -7.003 4.093 1.00 0.00 H new ATOM 360 N ALA A 27 -3.494 -9.792 6.186 1.00 0.00 N ATOM 361 CA ALA A 27 -4.796 -10.301 6.583 1.00 0.00 C ATOM 362 C ALA A 27 -5.673 -9.138 7.051 1.00 0.00 C ATOM 363 O ALA A 27 -5.199 -8.010 7.176 1.00 0.00 O ATOM 364 CB ALA A 27 -4.618 -11.370 7.664 1.00 0.00 C ATOM 0 H ALA A 27 -2.864 -9.582 6.960 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.298 -10.772 5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.594 -11.752 7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.013 -12.187 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.120 -10.933 8.529 1.00 0.00 H new ATOM 370 N ALA A 28 -6.936 -9.454 7.297 1.00 0.00 N ATOM 371 CA ALA A 28 -7.884 -8.449 7.749 1.00 0.00 C ATOM 372 C ALA A 28 -7.500 -7.989 9.156 1.00 0.00 C ATOM 373 O ALA A 28 -8.185 -8.311 10.127 1.00 0.00 O ATOM 374 CB ALA A 28 -9.302 -9.020 7.688 1.00 0.00 C ATOM 0 H ALA A 28 -7.325 -10.391 7.192 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.857 -7.575 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.013 -8.266 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.536 -9.304 6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.369 -9.897 8.332 1.00 0.00 H new ATOM 380 N GLY A 29 -6.408 -7.242 9.224 1.00 0.00 N ATOM 381 CA GLY A 29 -5.925 -6.735 10.497 1.00 0.00 C ATOM 382 C GLY A 29 -4.785 -5.735 10.292 1.00 0.00 C ATOM 383 O GLY A 29 -4.709 -4.724 10.988 1.00 0.00 O ATOM 0 H GLY A 29 -5.844 -6.975 8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.742 -6.255 11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.580 -7.564 11.115 1.00 0.00 H new ATOM 387 N ALA A 30 -3.927 -6.053 9.333 1.00 0.00 N ATOM 388 CA ALA A 30 -2.795 -5.195 9.028 1.00 0.00 C ATOM 389 C ALA A 30 -3.296 -3.776 8.748 1.00 0.00 C ATOM 390 O ALA A 30 -4.362 -3.595 8.162 1.00 0.00 O ATOM 391 CB ALA A 30 -2.014 -5.780 7.850 1.00 0.00 C ATOM 0 H ALA A 30 -3.993 -6.893 8.758 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.114 -5.142 9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.165 -5.136 7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.655 -6.776 8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.665 -5.845 6.978 1.00 0.00 H new ATOM 397 N THR A 31 -2.503 -2.807 9.182 1.00 0.00 N ATOM 398 CA THR A 31 -2.853 -1.410 8.985 1.00 0.00 C ATOM 399 C THR A 31 -1.936 -0.773 7.940 1.00 0.00 C ATOM 400 O THR A 31 -1.140 -1.462 7.304 1.00 0.00 O ATOM 401 CB THR A 31 -2.800 -0.714 10.346 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.469 -0.942 10.801 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.675 -1.406 11.393 1.00 0.00 C ATOM 0 H THR A 31 -1.620 -2.961 9.669 1.00 0.00 H new ATOM 0 HA THR A 31 -3.864 -1.307 8.590 1.00 0.00 H new ATOM 0 HB THR A 31 -3.118 0.323 10.235 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.187 -0.198 11.374 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.601 -0.872 12.340 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.712 -1.407 11.057 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.337 -2.433 11.529 1.00 0.00 H new ATOM 411 N ALA A 32 -2.077 0.537 7.795 1.00 0.00 N ATOM 412 CA ALA A 32 -1.271 1.275 6.838 1.00 0.00 C ATOM 413 C ALA A 32 0.211 1.029 7.129 1.00 0.00 C ATOM 414 O ALA A 32 0.940 0.528 6.274 1.00 0.00 O ATOM 415 CB ALA A 32 -1.639 2.759 6.898 1.00 0.00 C ATOM 0 H ALA A 32 -2.738 1.106 8.325 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.469 0.931 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.034 3.313 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.694 2.882 6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.451 3.140 7.902 1.00 0.00 H new ATOM 421 N ARG A 33 0.612 1.393 8.338 1.00 0.00 N ATOM 422 CA ARG A 33 1.994 1.218 8.752 1.00 0.00 C ATOM 423 C ARG A 33 2.491 -0.177 8.367 1.00 0.00 C ATOM 424 O ARG A 33 3.495 -0.311 7.669 1.00 0.00 O ATOM 425 CB ARG A 33 2.144 1.406 10.263 1.00 0.00 C ATOM 426 CG ARG A 33 3.617 1.371 10.676 1.00 0.00 C ATOM 427 CD ARG A 33 4.048 -0.049 11.050 1.00 0.00 C ATOM 428 NE ARG A 33 3.827 -0.281 12.494 1.00 0.00 N ATOM 429 CZ ARG A 33 4.687 0.083 13.455 1.00 0.00 C ATOM 430 NH1 ARG A 33 5.832 0.699 13.130 1.00 0.00 N ATOM 431 NH2 ARG A 33 4.404 -0.169 14.740 1.00 0.00 N ATOM 0 H ARG A 33 0.004 1.808 9.044 1.00 0.00 H new ATOM 0 HA ARG A 33 2.591 1.974 8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.702 2.357 10.561 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.597 0.622 10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.236 1.739 9.858 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.777 2.038 11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.483 -0.775 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.101 -0.194 10.807 1.00 0.00 H new ATOM 0 HE ARG A 33 2.965 -0.748 12.776 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.048 0.890 12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.487 0.976 13.861 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.533 -0.638 14.988 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.060 0.109 15.471 1.00 0.00 H new ATOM 445 N HIS A 34 1.765 -1.180 8.838 1.00 0.00 N ATOM 446 CA HIS A 34 2.120 -2.560 8.551 1.00 0.00 C ATOM 447 C HIS A 34 2.562 -2.683 7.092 1.00 0.00 C ATOM 448 O HIS A 34 3.525 -3.386 6.789 1.00 0.00 O ATOM 449 CB HIS A 34 0.967 -3.501 8.903 1.00 0.00 C ATOM 450 CG HIS A 34 0.920 -3.898 10.359 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.609 -3.006 11.370 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.148 -5.100 10.963 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.651 -3.651 12.526 1.00 0.00 C ATOM 454 NE2 HIS A 34 0.986 -4.949 12.272 1.00 0.00 N ATOM 0 H HIS A 34 0.933 -1.065 9.416 1.00 0.00 H new ATOM 0 HA HIS A 34 2.961 -2.861 9.175 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.025 -3.020 8.638 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.048 -4.401 8.294 1.00 0.00 H new ATOM 0 HD1 HIS A 34 0.385 -2.019 11.246 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.415 -6.018 10.461 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.455 -3.225 13.499 1.00 0.00 H new ATOM 462 N VAL A 35 1.838 -1.988 6.227 1.00 0.00 N ATOM 463 CA VAL A 35 2.144 -2.011 4.806 1.00 0.00 C ATOM 464 C VAL A 35 3.426 -1.216 4.552 1.00 0.00 C ATOM 465 O VAL A 35 4.287 -1.647 3.787 1.00 0.00 O ATOM 466 CB VAL A 35 0.948 -1.491 4.005 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.338 -1.224 2.550 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.231 -2.462 4.088 1.00 0.00 C ATOM 0 H VAL A 35 1.041 -1.406 6.482 1.00 0.00 H new ATOM 0 HA VAL A 35 2.324 -3.032 4.470 1.00 0.00 H new ATOM 0 HB VAL A 35 0.634 -0.545 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.471 -0.855 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.132 -0.478 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.690 -2.148 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.068 -2.069 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.066 -3.430 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.532 -2.580 5.129 1.00 0.00 H new ATOM 478 N CYS A 36 3.512 -0.068 5.208 1.00 0.00 N ATOM 479 CA CYS A 36 4.674 0.792 5.062 1.00 0.00 C ATOM 480 C CYS A 36 5.920 -0.019 5.422 1.00 0.00 C ATOM 481 O CYS A 36 6.903 -0.015 4.683 1.00 0.00 O ATOM 482 CB CYS A 36 4.551 2.058 5.914 1.00 0.00 C ATOM 483 SG CYS A 36 6.188 2.857 6.085 1.00 0.00 S ATOM 0 H CYS A 36 2.796 0.287 5.842 1.00 0.00 H new ATOM 0 HA CYS A 36 4.750 1.133 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.846 2.750 5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.155 1.807 6.898 1.00 0.00 H new ATOM 0 HG CYS A 36 6.782 2.882 4.929 1.00 0.00 H new ATOM 489 N GLU A 37 5.838 -0.696 6.558 1.00 0.00 N ATOM 490 CA GLU A 37 6.947 -1.511 7.026 1.00 0.00 C ATOM 491 C GLU A 37 7.389 -2.484 5.931 1.00 0.00 C ATOM 492 O GLU A 37 8.516 -2.408 5.445 1.00 0.00 O ATOM 493 CB GLU A 37 6.576 -2.259 8.308 1.00 0.00 C ATOM 494 CG GLU A 37 7.105 -1.526 9.542 1.00 0.00 C ATOM 495 CD GLU A 37 8.470 -2.073 9.963 1.00 0.00 C ATOM 496 OE1 GLU A 37 8.485 -3.185 10.533 1.00 0.00 O ATOM 497 OE2 GLU A 37 9.469 -1.367 9.704 1.00 0.00 O ATOM 0 H GLU A 37 5.021 -0.697 7.168 1.00 0.00 H new ATOM 0 HA GLU A 37 7.784 -0.852 7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.493 -2.357 8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.986 -3.268 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.187 -0.460 9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.397 -1.633 10.364 1.00 0.00 H new ATOM 504 N MET A 38 6.477 -3.377 5.575 1.00 0.00 N ATOM 505 CA MET A 38 6.758 -4.365 4.547 1.00 0.00 C ATOM 506 C MET A 38 7.330 -3.702 3.292 1.00 0.00 C ATOM 507 O MET A 38 8.415 -4.061 2.836 1.00 0.00 O ATOM 508 CB MET A 38 5.471 -5.110 4.189 1.00 0.00 C ATOM 509 CG MET A 38 4.854 -5.765 5.427 1.00 0.00 C ATOM 510 SD MET A 38 4.585 -7.504 5.127 1.00 0.00 S ATOM 511 CE MET A 38 3.060 -7.427 4.202 1.00 0.00 C ATOM 0 H MET A 38 5.543 -3.437 5.980 1.00 0.00 H new ATOM 0 HA MET A 38 7.498 -5.065 4.935 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.756 -4.416 3.746 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.684 -5.871 3.438 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.513 -5.633 6.285 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.910 -5.280 5.673 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.338 -8.122 4.632 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.659 -6.414 4.245 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.250 -7.698 3.163 1.00 0.00 H new ATOM 521 N LEU A 39 6.575 -2.747 2.769 1.00 0.00 N ATOM 522 CA LEU A 39 6.994 -2.031 1.576 1.00 0.00 C ATOM 523 C LEU A 39 8.404 -1.478 1.787 1.00 0.00 C ATOM 524 O LEU A 39 9.229 -1.505 0.875 1.00 0.00 O ATOM 525 CB LEU A 39 5.963 -0.963 1.203 1.00 0.00 C ATOM 526 CG LEU A 39 4.606 -1.480 0.722 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.712 -0.327 0.261 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.777 -2.543 -0.365 1.00 0.00 C ATOM 0 H LEU A 39 5.676 -2.452 3.150 1.00 0.00 H new ATOM 0 HA LEU A 39 7.042 -2.707 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.799 -0.325 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.388 -0.334 0.421 1.00 0.00 H new ATOM 0 HG LEU A 39 4.106 -1.959 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.754 -0.722 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.549 0.361 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.195 0.202 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.797 -2.893 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.307 -2.113 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.349 -3.381 0.033 1.00 0.00 H new ATOM 540 N VAL A 40 8.638 -0.988 2.996 1.00 0.00 N ATOM 541 CA VAL A 40 9.935 -0.428 3.338 1.00 0.00 C ATOM 542 C VAL A 40 11.021 -1.475 3.080 1.00 0.00 C ATOM 543 O VAL A 40 12.075 -1.159 2.530 1.00 0.00 O ATOM 544 CB VAL A 40 9.922 0.077 4.782 1.00 0.00 C ATOM 545 CG1 VAL A 40 11.099 -0.497 5.574 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.924 1.606 4.828 1.00 0.00 C ATOM 0 H VAL A 40 7.952 -0.967 3.750 1.00 0.00 H new ATOM 0 HA VAL A 40 10.158 0.434 2.709 1.00 0.00 H new ATOM 0 HB VAL A 40 9.001 -0.271 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.066 -0.122 6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.035 -1.585 5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.035 -0.193 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.915 1.939 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.819 1.984 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.040 1.987 4.317 1.00 0.00 H new ATOM 705 N TRP A 51 7.594 6.861 7.463 1.00 0.00 N ATOM 706 CA TRP A 51 6.870 6.446 6.273 1.00 0.00 C ATOM 707 C TRP A 51 5.504 5.914 6.712 1.00 0.00 C ATOM 708 O TRP A 51 5.341 5.477 7.850 1.00 0.00 O ATOM 709 CB TRP A 51 7.678 5.426 5.468 1.00 0.00 C ATOM 710 CG TRP A 51 8.848 6.033 4.691 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.934 6.647 5.180 1.00 0.00 C ATOM 712 CD2 TRP A 51 9.005 6.060 3.256 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.776 7.065 4.170 1.00 0.00 N ATOM 714 CE2 TRP A 51 10.193 6.697 2.963 1.00 0.00 C ATOM 715 CE3 TRP A 51 8.171 5.561 2.240 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.655 6.895 1.656 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.646 5.768 0.939 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.840 6.407 0.628 1.00 0.00 C ATOM 0 HA TRP A 51 6.715 7.290 5.601 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.062 4.665 6.147 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.012 4.922 4.767 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.126 6.796 6.232 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.663 7.554 4.287 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.238 5.058 2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.589 7.397 1.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.042 5.406 0.120 1.00 0.00 H new ATOM 0 HH2 TRP A 51 10.138 6.527 -0.403 1.00 0.00 H new ATOM 729 N GLY A 52 4.559 5.968 5.786 1.00 0.00 N ATOM 730 CA GLY A 52 3.212 5.497 6.062 1.00 0.00 C ATOM 731 C GLY A 52 2.430 5.281 4.766 1.00 0.00 C ATOM 732 O GLY A 52 3.017 5.005 3.721 1.00 0.00 O ATOM 0 H GLY A 52 4.699 6.331 4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.257 4.564 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.691 6.221 6.689 1.00 0.00 H new ATOM 736 N LEU A 53 1.116 5.414 4.876 1.00 0.00 N ATOM 737 CA LEU A 53 0.247 5.236 3.725 1.00 0.00 C ATOM 738 C LEU A 53 -0.633 6.477 3.559 1.00 0.00 C ATOM 739 O LEU A 53 -0.998 7.119 4.542 1.00 0.00 O ATOM 740 CB LEU A 53 -0.545 3.932 3.847 1.00 0.00 C ATOM 741 CG LEU A 53 -0.047 2.763 2.996 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.061 1.617 2.992 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.302 3.224 1.580 1.00 0.00 C ATOM 0 H LEU A 53 0.632 5.643 5.744 1.00 0.00 H new ATOM 0 HA LEU A 53 0.837 5.139 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.539 3.623 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.582 4.134 3.580 1.00 0.00 H new ATOM 0 HG LEU A 53 0.870 2.381 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.683 0.798 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.217 1.265 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.007 1.970 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.653 2.373 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.584 3.648 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.085 3.980 1.626 1.00 0.00 H new ATOM 755 N VAL A 54 -0.948 6.777 2.307 1.00 0.00 N ATOM 756 CA VAL A 54 -1.778 7.929 2.000 1.00 0.00 C ATOM 757 C VAL A 54 -2.808 7.541 0.938 1.00 0.00 C ATOM 758 O VAL A 54 -2.449 7.249 -0.202 1.00 0.00 O ATOM 759 CB VAL A 54 -0.900 9.109 1.579 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.754 10.282 1.094 1.00 0.00 C ATOM 761 CG2 VAL A 54 0.025 9.539 2.720 1.00 0.00 C ATOM 0 H VAL A 54 -0.643 6.242 1.494 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.328 8.250 2.884 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.276 8.782 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.105 11.108 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.351 9.968 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.415 10.608 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.638 10.379 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.573 9.838 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.670 8.706 2.999 1.00 0.00 H new ATOM 771 N GLU A 55 -4.068 7.552 1.349 1.00 0.00 N ATOM 772 CA GLU A 55 -5.152 7.205 0.446 1.00 0.00 C ATOM 773 C GLU A 55 -5.326 8.292 -0.617 1.00 0.00 C ATOM 774 O GLU A 55 -5.409 9.475 -0.292 1.00 0.00 O ATOM 775 CB GLU A 55 -6.454 6.978 1.216 1.00 0.00 C ATOM 776 CG GLU A 55 -7.026 8.301 1.730 1.00 0.00 C ATOM 777 CD GLU A 55 -7.657 8.125 3.113 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.036 7.415 3.934 1.00 0.00 O ATOM 779 OE2 GLU A 55 -8.745 8.703 3.318 1.00 0.00 O ATOM 0 H GLU A 55 -4.362 7.796 2.295 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.897 6.272 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.183 6.490 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.272 6.306 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.234 9.049 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.773 8.675 1.030 1.00 0.00 H new ATOM 786 N CYS A 56 -5.376 7.851 -1.865 1.00 0.00 N ATOM 787 CA CYS A 56 -5.539 8.771 -2.978 1.00 0.00 C ATOM 788 C CYS A 56 -6.952 8.602 -3.539 1.00 0.00 C ATOM 789 O CYS A 56 -7.485 7.493 -3.566 1.00 0.00 O ATOM 790 CB CYS A 56 -4.470 8.557 -4.051 1.00 0.00 C ATOM 791 SG CYS A 56 -3.084 9.725 -3.796 1.00 0.00 S ATOM 0 H CYS A 56 -5.307 6.869 -2.130 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.408 9.795 -2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.104 7.531 -4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.902 8.703 -5.041 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.381 9.809 -4.886 1.00 0.00 H new ATOM 797 N HIS A 57 -7.520 9.717 -3.974 1.00 0.00 N ATOM 798 CA HIS A 57 -8.861 9.706 -4.533 1.00 0.00 C ATOM 799 C HIS A 57 -8.800 10.060 -6.020 1.00 0.00 C ATOM 800 O HIS A 57 -8.818 11.235 -6.383 1.00 0.00 O ATOM 801 CB HIS A 57 -9.788 10.630 -3.740 1.00 0.00 C ATOM 802 CG HIS A 57 -10.078 10.153 -2.337 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.372 8.834 -2.040 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.115 10.832 -1.155 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.576 8.735 -0.734 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.417 9.975 -0.188 1.00 0.00 N ATOM 0 H HIS A 57 -7.076 10.635 -3.951 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.285 8.705 -4.451 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.339 11.622 -3.690 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.730 10.733 -4.279 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.930 11.888 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.824 7.832 -0.197 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.514 10.205 0.801 1.00 0.00 H new ATOM 814 N PRO A 58 -8.728 8.995 -6.862 1.00 0.00 N ATOM 815 CA PRO A 58 -8.665 9.181 -8.301 1.00 0.00 C ATOM 816 C PRO A 58 -10.031 9.577 -8.864 1.00 0.00 C ATOM 817 O PRO A 58 -10.555 8.914 -9.758 1.00 0.00 O ATOM 818 CB PRO A 58 -8.159 7.856 -8.848 1.00 0.00 C ATOM 819 CG PRO A 58 -8.400 6.833 -7.750 1.00 0.00 C ATOM 820 CD PRO A 58 -8.705 7.589 -6.467 1.00 0.00 C ATOM 0 HA PRO A 58 -8.001 9.996 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.689 7.582 -9.760 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.100 7.916 -9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.231 6.178 -8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.523 6.199 -7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.661 7.281 -6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.945 7.403 -5.708 1.00 0.00 H new ATOM 828 N HIS A 59 -10.571 10.657 -8.316 1.00 0.00 N ATOM 829 CA HIS A 59 -11.866 11.149 -8.752 1.00 0.00 C ATOM 830 C HIS A 59 -12.094 12.557 -8.198 1.00 0.00 C ATOM 831 O HIS A 59 -12.589 13.433 -8.903 1.00 0.00 O ATOM 832 CB HIS A 59 -12.978 10.172 -8.364 1.00 0.00 C ATOM 833 CG HIS A 59 -12.945 9.750 -6.914 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.803 9.268 -6.299 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.925 9.743 -5.966 1.00 0.00 C ATOM 836 CE1 HIS A 59 -12.094 8.987 -5.037 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.410 9.281 -4.833 1.00 0.00 N ATOM 0 H HIS A 59 -10.134 11.204 -7.574 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.885 11.217 -9.840 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.943 10.633 -8.576 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.904 9.284 -8.992 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.947 10.060 -6.112 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.409 8.594 -4.300 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.915 9.165 -3.955 1.00 0.00 H new ATOM 845 N LEU A 60 -11.721 12.729 -6.938 1.00 0.00 N ATOM 846 CA LEU A 60 -11.878 14.015 -6.280 1.00 0.00 C ATOM 847 C LEU A 60 -10.521 14.720 -6.218 1.00 0.00 C ATOM 848 O LEU A 60 -10.429 15.856 -5.755 1.00 0.00 O ATOM 849 CB LEU A 60 -12.543 13.840 -4.914 1.00 0.00 C ATOM 850 CG LEU A 60 -13.397 12.583 -4.739 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.015 12.529 -3.341 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.457 12.483 -5.839 1.00 0.00 C ATOM 0 H LEU A 60 -11.311 11.999 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.546 14.658 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.764 13.835 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.170 14.711 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.748 11.713 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.617 11.625 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.222 12.519 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.647 13.404 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.050 11.581 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.108 13.356 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.968 12.441 -6.812 1.00 0.00 H new ATOM 864 N ALA A 61 -9.503 14.017 -6.691 1.00 0.00 N ATOM 865 CA ALA A 61 -8.156 14.562 -6.695 1.00 0.00 C ATOM 866 C ALA A 61 -7.788 15.013 -5.280 1.00 0.00 C ATOM 867 O ALA A 61 -7.345 16.143 -5.080 1.00 0.00 O ATOM 868 CB ALA A 61 -8.069 15.702 -7.712 1.00 0.00 C ATOM 0 H ALA A 61 -9.584 13.075 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.436 13.801 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.059 16.111 -7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.310 15.323 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.777 16.486 -7.441 1.00 0.00 H new ATOM 874 N LEU A 62 -7.986 14.106 -4.334 1.00 0.00 N ATOM 875 CA LEU A 62 -7.681 14.397 -2.944 1.00 0.00 C ATOM 876 C LEU A 62 -6.600 13.433 -2.451 1.00 0.00 C ATOM 877 O LEU A 62 -6.345 12.407 -3.079 1.00 0.00 O ATOM 878 CB LEU A 62 -8.957 14.374 -2.099 1.00 0.00 C ATOM 879 CG LEU A 62 -9.268 15.652 -1.318 1.00 0.00 C ATOM 880 CD1 LEU A 62 -9.576 16.813 -2.267 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.396 15.419 -0.312 1.00 0.00 C ATOM 0 H LEU A 62 -8.354 13.170 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.279 15.405 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.800 14.159 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.886 13.548 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.381 15.929 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.794 17.710 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.714 16.997 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.440 16.561 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.597 16.343 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.296 15.105 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.100 14.642 0.393 1.00 0.00 H new ATOM 893 N GLU A 63 -5.993 13.798 -1.331 1.00 0.00 N ATOM 894 CA GLU A 63 -4.945 12.978 -0.747 1.00 0.00 C ATOM 895 C GLU A 63 -5.007 13.047 0.780 1.00 0.00 C ATOM 896 O GLU A 63 -4.674 14.072 1.373 1.00 0.00 O ATOM 897 CB GLU A 63 -3.567 13.403 -1.259 1.00 0.00 C ATOM 898 CG GLU A 63 -3.406 13.065 -2.743 1.00 0.00 C ATOM 899 CD GLU A 63 -3.638 14.301 -3.615 1.00 0.00 C ATOM 900 OE1 GLU A 63 -3.046 15.350 -3.282 1.00 0.00 O ATOM 901 OE2 GLU A 63 -4.403 14.168 -4.594 1.00 0.00 O ATOM 0 H GLU A 63 -6.207 14.650 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.107 11.944 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.434 14.475 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.790 12.902 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.406 12.671 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.112 12.282 -3.020 1.00 0.00 H new ATOM 908 N ARG A 64 -5.434 11.942 1.373 1.00 0.00 N ATOM 909 CA ARG A 64 -5.544 11.864 2.820 1.00 0.00 C ATOM 910 C ARG A 64 -4.587 10.804 3.369 1.00 0.00 C ATOM 911 O ARG A 64 -4.403 9.752 2.757 1.00 0.00 O ATOM 912 CB ARG A 64 -6.973 11.520 3.246 1.00 0.00 C ATOM 913 CG ARG A 64 -7.094 11.474 4.771 1.00 0.00 C ATOM 914 CD ARG A 64 -8.055 12.552 5.277 1.00 0.00 C ATOM 915 NE ARG A 64 -9.441 12.034 5.278 1.00 0.00 N ATOM 916 CZ ARG A 64 -10.432 12.542 6.024 1.00 0.00 C ATOM 917 NH1 ARG A 64 -10.196 13.584 6.833 1.00 0.00 N ATOM 918 NH2 ARG A 64 -11.660 12.008 5.961 1.00 0.00 N ATOM 0 H ARG A 64 -5.708 11.093 0.878 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.281 12.841 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.664 12.261 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.260 10.556 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.448 10.491 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.112 11.616 5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.772 12.859 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.989 13.436 4.643 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.656 11.241 4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.262 13.991 6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.950 13.970 7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.840 11.215 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.414 12.395 6.529 1.00 0.00 H new ATOM 932 N GLY A 65 -4.002 11.117 4.515 1.00 0.00 N ATOM 933 CA GLY A 65 -3.068 10.205 5.153 1.00 0.00 C ATOM 934 C GLY A 65 -3.710 9.519 6.361 1.00 0.00 C ATOM 935 O GLY A 65 -4.633 10.059 6.968 1.00 0.00 O ATOM 0 H GLY A 65 -4.157 11.990 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.740 9.453 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.180 10.751 5.470 1.00 0.00 H new ATOM 939 N LEU A 66 -3.196 8.338 6.673 1.00 0.00 N ATOM 940 CA LEU A 66 -3.707 7.572 7.797 1.00 0.00 C ATOM 941 C LEU A 66 -2.539 7.132 8.682 1.00 0.00 C ATOM 942 O LEU A 66 -1.390 7.128 8.243 1.00 0.00 O ATOM 943 CB LEU A 66 -4.577 6.414 7.305 1.00 0.00 C ATOM 944 CG LEU A 66 -3.981 5.556 6.186 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.596 4.155 6.183 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.126 6.249 4.829 1.00 0.00 C ATOM 0 H LEU A 66 -2.431 7.893 6.167 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.359 8.190 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.799 5.767 8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.527 6.821 6.957 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.914 5.439 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.155 3.566 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.399 3.669 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.673 4.231 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.695 5.619 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.182 6.416 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.604 7.206 4.852 1.00 0.00 H new ATOM 958 N GLU A 67 -2.874 6.772 9.912 1.00 0.00 N ATOM 959 CA GLU A 67 -1.867 6.331 10.863 1.00 0.00 C ATOM 960 C GLU A 67 -1.683 4.815 10.775 1.00 0.00 C ATOM 961 O GLU A 67 -2.215 4.172 9.872 1.00 0.00 O ATOM 962 CB GLU A 67 -2.232 6.758 12.286 1.00 0.00 C ATOM 963 CG GLU A 67 -1.484 8.031 12.685 1.00 0.00 C ATOM 964 CD GLU A 67 -0.590 7.783 13.902 1.00 0.00 C ATOM 965 OE1 GLU A 67 0.170 6.792 13.855 1.00 0.00 O ATOM 966 OE2 GLU A 67 -0.687 8.591 14.851 1.00 0.00 O ATOM 0 H GLU A 67 -3.828 6.777 10.272 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.921 6.808 10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.307 6.927 12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.990 5.956 12.983 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.878 8.378 11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.199 8.822 12.910 1.00 0.00 H new ATOM 973 N ASP A 68 -0.927 4.287 11.727 1.00 0.00 N ATOM 974 CA ASP A 68 -0.666 2.858 11.769 1.00 0.00 C ATOM 975 C ASP A 68 -1.871 2.141 12.380 1.00 0.00 C ATOM 976 O ASP A 68 -2.083 0.955 12.134 1.00 0.00 O ATOM 977 CB ASP A 68 0.558 2.547 12.633 1.00 0.00 C ATOM 978 CG ASP A 68 0.339 2.693 14.141 1.00 0.00 C ATOM 979 OD1 ASP A 68 -0.126 1.703 14.746 1.00 0.00 O ATOM 980 OD2 ASP A 68 0.640 3.793 14.653 1.00 0.00 O ATOM 0 H ASP A 68 -0.487 4.823 12.475 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.483 2.519 10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.881 1.527 12.425 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.372 3.207 12.334 1.00 0.00 H new ATOM 985 N HIS A 69 -2.630 2.892 13.165 1.00 0.00 N ATOM 986 CA HIS A 69 -3.809 2.343 13.814 1.00 0.00 C ATOM 987 C HIS A 69 -4.963 2.280 12.811 1.00 0.00 C ATOM 988 O HIS A 69 -6.001 1.682 13.091 1.00 0.00 O ATOM 989 CB HIS A 69 -4.159 3.142 15.071 1.00 0.00 C ATOM 990 CG HIS A 69 -4.638 4.546 14.793 1.00 0.00 C ATOM 991 ND1 HIS A 69 -3.778 5.625 14.688 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.896 5.036 14.599 1.00 0.00 C ATOM 993 CE1 HIS A 69 -4.497 6.711 14.442 1.00 0.00 C ATOM 994 NE2 HIS A 69 -5.809 6.344 14.388 1.00 0.00 N ATOM 0 H HIS A 69 -2.452 3.876 13.366 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.605 1.325 14.146 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.932 2.609 15.625 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.281 3.190 15.715 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.808 4.458 14.614 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.111 7.711 14.308 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.594 6.971 14.214 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.743 2.905 11.664 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.752 2.927 10.618 1.00 0.00 C ATOM 1004 C GLU A 70 -5.657 1.662 9.762 1.00 0.00 C ATOM 1005 O GLU A 70 -4.622 1.397 9.153 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.621 4.184 9.756 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.138 5.416 10.501 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.666 5.475 10.469 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.277 4.385 10.514 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.189 6.608 10.400 1.00 0.00 O ATOM 0 H GLU A 70 -3.881 3.400 11.436 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.735 2.950 11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.577 4.333 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.180 4.054 8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.793 5.392 11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.726 6.318 10.049 1.00 0.00 H new ATOM 1017 N SER A 71 -6.751 0.916 9.743 1.00 0.00 N ATOM 1018 CA SER A 71 -6.804 -0.315 8.971 1.00 0.00 C ATOM 1019 C SER A 71 -7.062 0.003 7.497 1.00 0.00 C ATOM 1020 O SER A 71 -8.091 0.581 7.153 1.00 0.00 O ATOM 1021 CB SER A 71 -7.885 -1.255 9.508 1.00 0.00 C ATOM 1022 OG SER A 71 -7.356 -2.206 10.428 1.00 0.00 O ATOM 0 H SER A 71 -7.608 1.139 10.249 1.00 0.00 H new ATOM 0 HA SER A 71 -5.842 -0.820 9.065 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.663 -0.670 9.998 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.356 -1.779 8.676 1.00 0.00 H new ATOM 0 HG SER A 71 -8.077 -2.786 10.749 1.00 0.00 H new ATOM 1028 N VAL A 72 -6.108 -0.389 6.665 1.00 0.00 N ATOM 1029 CA VAL A 72 -6.218 -0.153 5.235 1.00 0.00 C ATOM 1030 C VAL A 72 -7.547 -0.719 4.731 1.00 0.00 C ATOM 1031 O VAL A 72 -8.225 -0.090 3.919 1.00 0.00 O ATOM 1032 CB VAL A 72 -5.005 -0.742 4.513 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.829 0.236 4.528 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.606 -2.089 5.120 1.00 0.00 C ATOM 0 H VAL A 72 -5.255 -0.868 6.954 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.218 0.916 5.022 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.285 -0.913 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.980 -0.208 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.118 1.160 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.550 0.453 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.741 -2.486 4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.355 -1.954 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.438 -2.788 5.033 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.881 -1.899 5.233 1.00 0.00 N ATOM 1045 CA VAL A 73 -9.117 -2.555 4.843 1.00 0.00 C ATOM 1046 C VAL A 73 -10.306 -1.710 5.303 1.00 0.00 C ATOM 1047 O VAL A 73 -11.171 -1.360 4.502 1.00 0.00 O ATOM 1048 CB VAL A 73 -9.148 -3.982 5.397 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.381 -4.737 4.895 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.863 -4.734 5.046 1.00 0.00 C ATOM 0 H VAL A 73 -7.317 -2.417 5.906 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.179 -2.639 3.758 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.213 -3.919 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.380 -5.748 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.283 -4.217 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.360 -4.785 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.911 -5.745 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.754 -4.782 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.007 -4.212 5.474 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.311 -1.405 6.593 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.380 -0.607 7.169 1.00 0.00 C ATOM 1062 C GLU A 74 -11.521 0.716 6.413 1.00 0.00 C ATOM 1063 O GLU A 74 -12.634 1.157 6.129 1.00 0.00 O ATOM 1064 CB GLU A 74 -11.139 -0.363 8.660 1.00 0.00 C ATOM 1065 CG GLU A 74 -11.281 -1.660 9.458 1.00 0.00 C ATOM 1066 CD GLU A 74 -12.220 -1.470 10.651 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -13.240 -0.772 10.465 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -11.897 -2.028 11.722 1.00 0.00 O ATOM 0 H GLU A 74 -9.592 -1.696 7.255 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.314 -1.161 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.142 0.052 8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.850 0.376 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.664 -2.449 8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.301 -1.984 9.810 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.377 1.312 6.108 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.360 2.575 5.391 1.00 0.00 C ATOM 1077 C VAL A 75 -10.682 2.324 3.916 1.00 0.00 C ATOM 1078 O VAL A 75 -11.228 3.194 3.239 1.00 0.00 O ATOM 1079 CB VAL A 75 -9.016 3.276 5.598 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.931 4.557 4.766 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.773 3.568 7.080 1.00 0.00 C ATOM 0 H VAL A 75 -9.456 0.943 6.345 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.125 3.246 5.781 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.231 2.602 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.966 5.035 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.038 4.312 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.729 5.238 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.811 4.066 7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.566 4.213 7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.769 2.632 7.639 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.329 1.130 3.462 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.573 0.753 2.080 1.00 0.00 C ATOM 1093 C GLN A 76 -12.053 0.422 1.874 1.00 0.00 C ATOM 1094 O GLN A 76 -12.605 0.670 0.803 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.686 -0.423 1.667 1.00 0.00 C ATOM 1096 CG GLN A 76 -10.297 -1.184 0.489 1.00 0.00 C ATOM 1097 CD GLN A 76 -9.208 -1.721 -0.441 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -9.132 -1.382 -1.611 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.371 -2.575 0.141 1.00 0.00 N ATOM 0 H GLN A 76 -9.876 0.411 4.027 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.317 1.599 1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.696 -0.058 1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.555 -1.099 2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.903 -2.010 0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.963 -0.525 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.491 -2.816 1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.609 -2.989 -0.396 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.653 -0.133 2.917 1.00 0.00 N ATOM 1109 CA ALA A 77 -14.058 -0.501 2.863 1.00 0.00 C ATOM 1110 C ALA A 77 -14.915 0.762 2.965 1.00 0.00 C ATOM 1111 O ALA A 77 -16.050 0.786 2.491 1.00 0.00 O ATOM 1112 CB ALA A 77 -14.365 -1.505 3.975 1.00 0.00 C ATOM 0 H ALA A 77 -12.192 -0.337 3.804 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.293 -0.983 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.419 -1.781 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.751 -2.396 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.145 -1.055 4.943 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.340 1.782 3.585 1.00 0.00 N ATOM 1119 CA ALA A 78 -15.037 3.045 3.755 1.00 0.00 C ATOM 1120 C ALA A 78 -15.176 3.732 2.395 1.00 0.00 C ATOM 1121 O ALA A 78 -16.193 4.367 2.118 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.288 3.909 4.771 1.00 0.00 C ATOM 0 H ALA A 78 -13.398 1.759 3.976 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.041 2.880 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.811 4.857 4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.242 3.388 5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.276 4.098 4.412 1.00 0.00 H new ATOM 1128 N TRP A 79 -14.140 3.583 1.584 1.00 0.00 N ATOM 1129 CA TRP A 79 -14.134 4.181 0.259 1.00 0.00 C ATOM 1130 C TRP A 79 -15.481 3.881 -0.401 1.00 0.00 C ATOM 1131 O TRP A 79 -16.038 2.799 -0.219 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.942 3.685 -0.561 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.583 4.125 -0.012 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.328 5.078 0.894 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.294 3.585 -0.374 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.975 5.192 1.142 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.327 4.255 0.346 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.958 2.564 -1.280 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.959 3.978 0.235 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.586 2.299 -1.379 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.600 2.964 -0.661 1.00 0.00 C ATOM 0 H TRP A 79 -13.298 3.057 1.818 1.00 0.00 H new ATOM 0 HA TRP A 79 -14.012 5.262 0.324 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.970 2.596 -0.602 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -13.043 4.046 -1.585 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.086 5.682 1.371 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.532 5.844 1.790 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.699 2.027 -1.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.221 4.517 0.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.273 1.523 -2.062 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.561 2.700 -0.793 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.978 4.883 -1.174 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.249 4.737 -1.863 1.00 0.00 C ATOM 1154 C PRO A 80 -17.111 3.820 -3.080 1.00 0.00 C ATOM 1155 O PRO A 80 -16.000 3.534 -3.524 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.663 6.152 -2.230 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.398 6.991 -2.148 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.346 6.177 -1.412 1.00 0.00 C ATOM 0 HA PRO A 80 -18.010 4.262 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.090 6.186 -3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.425 6.526 -1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.048 7.253 -3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.593 7.926 -1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.439 6.071 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.059 6.655 -0.476 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.256 3.384 -3.585 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.276 2.505 -4.742 1.00 0.00 C ATOM 1168 C VAL A 81 -18.424 3.345 -6.013 1.00 0.00 C ATOM 1169 O VAL A 81 -19.441 3.265 -6.699 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.382 1.459 -4.586 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -19.485 0.579 -5.833 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.159 0.610 -3.333 1.00 0.00 C ATOM 0 H VAL A 81 -19.176 3.623 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.337 1.957 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 81 -20.329 1.987 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -20.278 -0.156 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.712 1.201 -6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.538 0.064 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -19.958 -0.126 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.200 0.097 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.159 1.253 -2.453 1.00 0.00 H new ATOM 1182 N GLY A 82 -17.393 4.131 -6.287 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.395 4.985 -7.463 1.00 0.00 C ATOM 1184 C GLY A 82 -15.973 5.408 -7.836 1.00 0.00 C ATOM 1185 O GLY A 82 -15.596 5.366 -9.006 1.00 0.00 O ATOM 0 H GLY A 82 -16.551 4.194 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.852 4.457 -8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.003 5.869 -7.274 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.222 5.805 -6.819 1.00 0.00 N ATOM 1190 CA GLY A 83 -13.850 6.235 -7.026 1.00 0.00 C ATOM 1191 C GLY A 83 -12.873 5.077 -6.807 1.00 0.00 C ATOM 1192 O GLY A 83 -13.016 4.312 -5.854 1.00 0.00 O ATOM 0 H GLY A 83 -15.538 5.838 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.736 6.625 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.613 7.050 -6.342 1.00 0.00 H new ATOM 1196 N ASP A 84 -11.903 4.985 -7.704 1.00 0.00 N ATOM 1197 CA ASP A 84 -10.904 3.934 -7.621 1.00 0.00 C ATOM 1198 C ASP A 84 -9.831 4.335 -6.606 1.00 0.00 C ATOM 1199 O ASP A 84 -8.643 4.342 -6.924 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.219 3.717 -8.972 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.020 2.887 -9.977 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.091 3.379 -10.394 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -10.544 1.779 -10.306 1.00 0.00 O ATOM 0 H ASP A 84 -11.788 5.622 -8.493 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.406 3.015 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.006 4.690 -9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.260 3.228 -8.802 1.00 0.00 H new ATOM 1208 N SER A 85 -10.290 4.659 -5.406 1.00 0.00 N ATOM 1209 CA SER A 85 -9.384 5.060 -4.343 1.00 0.00 C ATOM 1210 C SER A 85 -8.265 4.028 -4.192 1.00 0.00 C ATOM 1211 O SER A 85 -8.488 2.833 -4.379 1.00 0.00 O ATOM 1212 CB SER A 85 -10.131 5.231 -3.019 1.00 0.00 C ATOM 1213 OG SER A 85 -11.127 6.248 -3.094 1.00 0.00 O ATOM 0 H SER A 85 -11.276 4.652 -5.146 1.00 0.00 H new ATOM 0 HA SER A 85 -8.948 6.023 -4.610 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.598 4.286 -2.742 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.420 5.478 -2.231 1.00 0.00 H new ATOM 0 HG SER A 85 -10.770 7.084 -2.727 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.085 4.528 -3.854 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.930 3.664 -3.676 1.00 0.00 C ATOM 1221 C ARG A 86 -5.013 4.222 -2.586 1.00 0.00 C ATOM 1222 O ARG A 86 -5.193 5.353 -2.137 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.139 3.526 -4.978 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.833 4.898 -5.582 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.335 5.203 -5.520 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.063 6.526 -6.124 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.073 6.767 -7.442 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -3.343 5.775 -8.302 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -2.814 7.999 -7.901 1.00 0.00 N ATOM 0 H ARG A 86 -6.904 5.520 -3.699 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.294 2.680 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.208 2.993 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.707 2.929 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.171 4.927 -6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.387 5.668 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.995 5.190 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.776 4.431 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.855 7.304 -5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.541 4.837 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.351 5.958 -9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.609 8.754 -7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.822 8.181 -8.905 1.00 0.00 H new ATOM 1243 N PHE A 87 -4.048 3.404 -2.193 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.102 3.802 -1.164 1.00 0.00 C ATOM 1245 C PHE A 87 -1.755 4.190 -1.779 1.00 0.00 C ATOM 1246 O PHE A 87 -1.142 3.396 -2.491 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.902 2.594 -0.248 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.993 2.429 0.812 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -4.096 3.328 1.827 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.860 1.384 0.738 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -5.109 3.175 2.811 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.873 1.231 1.722 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.976 2.130 2.737 1.00 0.00 C ATOM 0 H PHE A 87 -3.901 2.467 -2.569 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.485 4.665 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.863 1.691 -0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.937 2.685 0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.408 4.158 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.778 0.671 -0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.191 3.888 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.561 0.401 1.664 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.747 2.014 3.485 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.334 5.410 -1.480 1.00 0.00 N ATOM 1264 CA VAL A 88 -0.071 5.913 -1.994 1.00 0.00 C ATOM 1265 C VAL A 88 0.991 5.828 -0.896 1.00 0.00 C ATOM 1266 O VAL A 88 0.672 5.915 0.288 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.255 7.330 -2.541 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.095 7.976 -2.856 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.164 7.329 -3.772 1.00 0.00 C ATOM 0 H VAL A 88 -1.845 6.065 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 88 0.274 5.301 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.739 7.927 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.935 8.982 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.694 8.028 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.619 7.379 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.278 8.348 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.721 6.709 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.141 6.929 -3.502 1.00 0.00 H new ATOM 1279 N PHE A 89 2.232 5.660 -1.330 1.00 0.00 N ATOM 1280 CA PHE A 89 3.343 5.563 -0.398 1.00 0.00 C ATOM 1281 C PHE A 89 4.244 6.796 -0.490 1.00 0.00 C ATOM 1282 O PHE A 89 4.878 7.030 -1.518 1.00 0.00 O ATOM 1283 CB PHE A 89 4.150 4.325 -0.792 1.00 0.00 C ATOM 1284 CG PHE A 89 5.036 3.777 0.328 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.556 3.700 1.599 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.303 3.367 0.054 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.378 3.192 2.639 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.126 2.858 1.094 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.646 2.781 2.365 1.00 0.00 C ATOM 0 H PHE A 89 2.492 5.589 -2.314 1.00 0.00 H new ATOM 0 HA PHE A 89 2.968 5.496 0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.462 3.543 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.776 4.570 -1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.549 4.025 1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.684 3.428 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.997 3.132 3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.132 2.532 0.876 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.271 2.394 3.156 1.00 0.00 H new ATOM 1299 N ARG A 90 4.273 7.551 0.598 1.00 0.00 N ATOM 1300 CA ARG A 90 5.087 8.754 0.653 1.00 0.00 C ATOM 1301 C ARG A 90 5.647 8.952 2.063 1.00 0.00 C ATOM 1302 O ARG A 90 5.113 8.408 3.029 1.00 0.00 O ATOM 1303 CB ARG A 90 4.274 9.987 0.257 1.00 0.00 C ATOM 1304 CG ARG A 90 2.927 10.013 0.982 1.00 0.00 C ATOM 1305 CD ARG A 90 1.803 10.443 0.037 1.00 0.00 C ATOM 1306 NE ARG A 90 2.188 11.680 -0.677 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.577 12.132 -1.781 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.548 11.450 -2.304 1.00 0.00 N ATOM 1309 NH2 ARG A 90 1.995 13.264 -2.362 1.00 0.00 N ATOM 0 H ARG A 90 3.746 7.353 1.449 1.00 0.00 H new ATOM 0 HA ARG A 90 5.908 8.632 -0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.837 10.890 0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.111 9.988 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.709 9.025 1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.978 10.699 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.596 9.649 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.886 10.610 0.602 1.00 0.00 H new ATOM 0 HE ARG A 90 2.967 12.223 -0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.230 10.587 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.083 11.794 -3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.778 13.782 -1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.530 13.608 -3.202 1.00 0.00 H new ATOM 1323 N LYS A 91 6.715 9.732 2.137 1.00 0.00 N ATOM 1324 CA LYS A 91 7.353 10.009 3.413 1.00 0.00 C ATOM 1325 C LYS A 91 7.089 11.464 3.805 1.00 0.00 C ATOM 1326 O LYS A 91 7.151 11.814 4.983 1.00 0.00 O ATOM 1327 CB LYS A 91 8.838 9.646 3.359 1.00 0.00 C ATOM 1328 CG LYS A 91 9.638 10.719 2.618 1.00 0.00 C ATOM 1329 CD LYS A 91 10.843 10.106 1.900 1.00 0.00 C ATOM 1330 CE LYS A 91 11.959 9.770 2.891 1.00 0.00 C ATOM 1331 NZ LYS A 91 13.068 10.742 2.772 1.00 0.00 N ATOM 0 H LYS A 91 7.155 10.181 1.334 1.00 0.00 H new ATOM 0 HA LYS A 91 6.924 9.385 4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.225 9.533 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.963 8.685 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.996 11.222 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.978 11.477 3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.536 9.203 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.216 10.802 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.566 9.781 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.329 8.762 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.817 10.499 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.454 10.712 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.714 11.699 2.974 1.00 0.00 H new