USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 550 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 141 CYS SG : rot 180:sc= 0.106 USER MOD Set 1.2: A 145 GLN : amide:sc= 0.0743 X(o=0.18,f=-0.031) USER MOD Single : A 69 CYS SG : rot -170:sc=-0.00494 USER MOD Single : A 70 TYR OH : rot 149:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -152:sc= -0.0215 (180deg=-1.4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0358 K(o=-0.036,f=-2.4!) USER MOD Single : A 88 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 49:sc= 1.23 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0.408 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc=-0.00749 K(o=-0.0075,f=-0.63) USER MOD Single : A 119 TYR OH : rot 30:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.0682 X(o=-0.068,f=-0.068) USER MOD Single : A 130 HIS : no HD1:sc= -1.69! K(o=-1.7!,f=-0.65) USER MOD Single : A 131 THR OG1 : rot 93:sc= 0.0384 USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 135 MET CE :methyl -156:sc= -1.36 (180deg=-2.19) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 1.489 5.746 4.228 1.00 0.00 N ATOM 53 CA TRP A 64 2.500 5.888 3.199 1.00 0.00 C ATOM 54 C TRP A 64 2.015 6.950 2.220 1.00 0.00 C ATOM 55 O TRP A 64 0.869 7.397 2.301 1.00 0.00 O ATOM 56 CB TRP A 64 2.748 4.541 2.514 1.00 0.00 C ATOM 57 CG TRP A 64 1.545 3.979 1.841 1.00 0.00 C ATOM 58 CD1 TRP A 64 0.673 3.136 2.418 1.00 0.00 C ATOM 59 CD2 TRP A 64 1.040 4.227 0.497 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.373 2.902 1.559 1.00 0.00 N ATOM 61 CE2 TRP A 64 -0.237 3.606 0.377 1.00 0.00 C ATOM 62 CE3 TRP A 64 1.549 4.884 -0.641 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -1.024 3.746 -0.777 1.00 0.00 C ATOM 64 CZ3 TRP A 64 0.800 4.965 -1.823 1.00 0.00 C ATOM 65 CH2 TRP A 64 -0.502 4.443 -1.878 1.00 0.00 C ATOM 0 HA TRP A 64 3.454 6.201 3.623 1.00 0.00 H new ATOM 0 HB2 TRP A 64 3.543 4.659 1.778 1.00 0.00 H new ATOM 0 HB3 TRP A 64 3.105 3.827 3.256 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.778 2.709 3.404 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -1.156 2.283 1.768 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.531 5.332 -0.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.017 3.323 -0.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.228 5.432 -2.698 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.101 4.578 -2.766 1.00 0.00 H new ATOM 76 N GLY A 65 2.854 7.290 1.247 1.00 0.00 N ATOM 77 CA GLY A 65 2.486 8.178 0.166 1.00 0.00 C ATOM 78 C GLY A 65 3.731 8.566 -0.604 1.00 0.00 C ATOM 79 O GLY A 65 4.151 7.816 -1.476 1.00 0.00 O ATOM 0 H GLY A 65 3.814 6.951 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.772 7.688 -0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.996 9.068 0.561 1.00 0.00 H new ATOM 83 N ARG A 66 4.396 9.661 -0.231 1.00 0.00 N ATOM 84 CA ARG A 66 5.609 10.152 -0.903 1.00 0.00 C ATOM 85 C ARG A 66 6.684 9.088 -1.061 1.00 0.00 C ATOM 86 O ARG A 66 7.404 9.080 -2.057 1.00 0.00 O ATOM 87 CB ARG A 66 6.160 11.344 -0.116 1.00 0.00 C ATOM 88 CG ARG A 66 7.353 12.075 -0.764 1.00 0.00 C ATOM 89 CD ARG A 66 6.961 12.839 -2.030 1.00 0.00 C ATOM 90 NE ARG A 66 8.105 13.588 -2.567 1.00 0.00 N ATOM 91 CZ ARG A 66 8.104 14.371 -3.648 1.00 0.00 C ATOM 92 NH1 ARG A 66 6.994 14.536 -4.363 1.00 0.00 N ATOM 93 NH2 ARG A 66 9.239 14.961 -4.006 1.00 0.00 N ATOM 0 H ARG A 66 4.107 10.242 0.556 1.00 0.00 H new ATOM 0 HA ARG A 66 5.327 10.449 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.354 12.062 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.463 10.996 0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.782 12.771 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.129 11.350 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.594 12.140 -2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.144 13.526 -1.807 1.00 0.00 H new ATOM 0 HE ARG A 66 8.988 13.501 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.134 14.062 -4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.003 15.136 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.086 14.811 -3.459 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.263 15.564 -4.828 1.00 0.00 H new ATOM 107 N LEU A 67 6.796 8.175 -0.096 1.00 0.00 N ATOM 108 CA LEU A 67 7.709 7.045 -0.182 1.00 0.00 C ATOM 109 C LEU A 67 7.558 6.236 -1.477 1.00 0.00 C ATOM 110 O LEU A 67 8.548 5.707 -1.970 1.00 0.00 O ATOM 111 CB LEU A 67 7.633 6.202 1.089 1.00 0.00 C ATOM 112 CG LEU A 67 6.338 5.488 1.506 1.00 0.00 C ATOM 113 CD1 LEU A 67 6.031 4.291 0.603 1.00 0.00 C ATOM 114 CD2 LEU A 67 6.504 4.975 2.940 1.00 0.00 C ATOM 0 H LEU A 67 6.253 8.202 0.767 1.00 0.00 H new ATOM 0 HA LEU A 67 8.723 7.441 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.404 5.436 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.916 6.852 1.917 1.00 0.00 H new ATOM 0 HG LEU A 67 5.518 6.201 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.108 3.814 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.917 4.631 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.850 3.573 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.593 4.465 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.342 4.279 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.696 5.815 3.607 1.00 0.00 H new ATOM 126 N ALA A 68 6.376 6.197 -2.093 1.00 0.00 N ATOM 127 CA ALA A 68 6.158 5.468 -3.330 1.00 0.00 C ATOM 128 C ALA A 68 6.789 6.168 -4.546 1.00 0.00 C ATOM 129 O ALA A 68 6.928 5.537 -5.594 1.00 0.00 O ATOM 130 CB ALA A 68 4.647 5.317 -3.552 1.00 0.00 C ATOM 0 H ALA A 68 5.545 6.673 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 68 6.639 4.494 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.468 4.771 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.210 4.769 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.189 6.304 -3.618 1.00 0.00 H new ATOM 136 N CYS A 69 7.164 7.447 -4.443 1.00 0.00 N ATOM 137 CA CYS A 69 7.712 8.215 -5.559 1.00 0.00 C ATOM 138 C CYS A 69 9.168 7.832 -5.827 1.00 0.00 C ATOM 139 O CYS A 69 9.572 7.670 -6.975 1.00 0.00 O ATOM 140 CB CYS A 69 7.596 9.714 -5.270 1.00 0.00 C ATOM 141 SG CYS A 69 5.885 10.113 -4.805 1.00 0.00 S ATOM 0 H CYS A 69 7.094 7.980 -3.576 1.00 0.00 H new ATOM 0 HA CYS A 69 7.135 7.981 -6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 69 8.277 9.994 -4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 69 7.888 10.288 -6.149 1.00 0.00 H new ATOM 0 HG CYS A 69 5.736 11.404 -4.764 1.00 0.00 H new ATOM 147 N TYR A 70 9.960 7.620 -4.771 1.00 0.00 N ATOM 148 CA TYR A 70 11.317 7.080 -4.889 1.00 0.00 C ATOM 149 C TYR A 70 11.252 5.723 -5.615 1.00 0.00 C ATOM 150 O TYR A 70 12.115 5.379 -6.420 1.00 0.00 O ATOM 151 CB TYR A 70 11.969 6.917 -3.498 1.00 0.00 C ATOM 152 CG TYR A 70 11.907 8.106 -2.543 1.00 0.00 C ATOM 153 CD1 TYR A 70 10.694 8.441 -1.914 1.00 0.00 C ATOM 154 CD2 TYR A 70 13.064 8.844 -2.223 1.00 0.00 C ATOM 155 CE1 TYR A 70 10.614 9.531 -1.033 1.00 0.00 C ATOM 156 CE2 TYR A 70 12.992 9.946 -1.347 1.00 0.00 C ATOM 157 CZ TYR A 70 11.757 10.310 -0.760 1.00 0.00 C ATOM 158 OH TYR A 70 11.624 11.389 0.064 1.00 0.00 O ATOM 0 H TYR A 70 9.678 7.818 -3.811 1.00 0.00 H new ATOM 0 HA TYR A 70 11.931 7.775 -5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.500 6.066 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 70 13.018 6.660 -3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.811 7.851 -2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 70 14.014 8.563 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.673 9.774 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.883 10.514 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 70 12.460 11.531 0.554 1.00 0.00 H new ATOM 168 N LEU A 71 10.179 4.965 -5.360 1.00 0.00 N ATOM 169 CA LEU A 71 9.881 3.645 -5.917 1.00 0.00 C ATOM 170 C LEU A 71 9.275 3.751 -7.337 1.00 0.00 C ATOM 171 O LEU A 71 8.721 2.775 -7.844 1.00 0.00 O ATOM 172 CB LEU A 71 8.954 2.889 -4.933 1.00 0.00 C ATOM 173 CG LEU A 71 9.586 2.331 -3.634 1.00 0.00 C ATOM 174 CD1 LEU A 71 10.668 3.185 -2.986 1.00 0.00 C ATOM 175 CD2 LEU A 71 8.490 2.014 -2.607 1.00 0.00 C ATOM 0 H LEU A 71 9.451 5.279 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 71 10.805 3.078 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.145 3.562 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.502 2.056 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 71 10.106 1.429 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.032 2.690 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.493 3.319 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.254 4.158 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.946 1.622 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.937 2.923 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.808 1.271 -3.020 1.00 0.00 H new ATOM 187 N GLU A 72 9.346 4.925 -7.972 1.00 0.00 N ATOM 188 CA GLU A 72 8.844 5.235 -9.309 1.00 0.00 C ATOM 189 C GLU A 72 9.865 6.110 -10.080 1.00 0.00 C ATOM 190 O GLU A 72 9.697 6.359 -11.281 1.00 0.00 O ATOM 191 CB GLU A 72 7.459 5.877 -9.104 1.00 0.00 C ATOM 192 CG GLU A 72 6.813 6.604 -10.282 1.00 0.00 C ATOM 193 CD GLU A 72 6.281 5.730 -11.423 1.00 0.00 C ATOM 194 OE1 GLU A 72 6.608 4.528 -11.534 1.00 0.00 O ATOM 195 OE2 GLU A 72 5.410 6.231 -12.174 1.00 0.00 O ATOM 0 H GLU A 72 9.785 5.735 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 72 8.726 4.354 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.774 5.093 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.541 6.587 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.987 7.204 -9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.545 7.297 -10.697 1.00 0.00 H new ATOM 202 N PHE A 73 10.977 6.531 -9.446 1.00 0.00 N ATOM 203 CA PHE A 73 12.121 7.067 -10.188 1.00 0.00 C ATOM 204 C PHE A 73 12.694 5.942 -11.064 1.00 0.00 C ATOM 205 O PHE A 73 13.006 6.137 -12.245 1.00 0.00 O ATOM 206 CB PHE A 73 13.185 7.687 -9.243 1.00 0.00 C ATOM 207 CG PHE A 73 14.597 7.124 -9.384 1.00 0.00 C ATOM 208 CD1 PHE A 73 15.351 7.363 -10.552 1.00 0.00 C ATOM 209 CD2 PHE A 73 15.109 6.245 -8.412 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.563 6.684 -10.779 1.00 0.00 C ATOM 211 CE2 PHE A 73 16.305 5.545 -8.655 1.00 0.00 C ATOM 212 CZ PHE A 73 17.033 5.755 -9.834 1.00 0.00 C ATOM 0 H PHE A 73 11.101 6.509 -8.434 1.00 0.00 H new ATOM 0 HA PHE A 73 11.795 7.887 -10.828 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.222 8.762 -9.421 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.857 7.546 -8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.994 8.076 -11.281 1.00 0.00 H new ATOM 0 HD2 PHE A 73 14.583 6.107 -7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 73 17.131 6.876 -11.677 1.00 0.00 H new ATOM 0 HE2 PHE A 73 16.667 4.837 -7.924 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.947 5.208 -10.015 1.00 0.00 H new ATOM 222 N LEU A 74 12.845 4.771 -10.446 1.00 0.00 N ATOM 223 CA LEU A 74 13.357 3.539 -11.011 1.00 0.00 C ATOM 224 C LEU A 74 12.191 2.641 -11.413 1.00 0.00 C ATOM 225 O LEU A 74 11.047 2.813 -10.993 1.00 0.00 O ATOM 226 CB LEU A 74 14.343 2.862 -10.035 1.00 0.00 C ATOM 227 CG LEU A 74 13.999 2.913 -8.532 1.00 0.00 C ATOM 228 CD1 LEU A 74 12.644 2.319 -8.176 1.00 0.00 C ATOM 229 CD2 LEU A 74 15.067 2.174 -7.735 1.00 0.00 C ATOM 0 H LEU A 74 12.591 4.659 -9.464 1.00 0.00 H new ATOM 0 HA LEU A 74 13.928 3.750 -11.915 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.438 1.815 -10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.322 3.321 -10.173 1.00 0.00 H new ATOM 0 HG LEU A 74 13.960 3.972 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.484 2.396 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.859 2.864 -8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.617 1.270 -8.472 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.821 2.212 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.110 1.135 -8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 74 16.036 2.646 -7.900 1.00 0.00 H new ATOM 241 N LYS A 75 12.516 1.645 -12.226 1.00 0.00 N ATOM 242 CA LYS A 75 11.611 0.623 -12.743 1.00 0.00 C ATOM 243 C LYS A 75 12.214 -0.734 -12.395 1.00 0.00 C ATOM 244 O LYS A 75 13.169 -0.785 -11.618 1.00 0.00 O ATOM 245 CB LYS A 75 11.425 0.856 -14.250 1.00 0.00 C ATOM 246 CG LYS A 75 10.585 2.103 -14.576 1.00 0.00 C ATOM 247 CD LYS A 75 10.457 2.229 -16.097 1.00 0.00 C ATOM 248 CE LYS A 75 9.483 3.327 -16.530 1.00 0.00 C ATOM 249 NZ LYS A 75 9.463 3.438 -18.004 1.00 0.00 N ATOM 0 H LYS A 75 13.471 1.520 -12.562 1.00 0.00 H new ATOM 0 HA LYS A 75 10.616 0.665 -12.300 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.404 0.954 -14.719 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.947 -0.020 -14.689 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.598 2.023 -14.120 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.056 2.994 -14.162 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.439 2.435 -16.522 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.126 1.275 -16.508 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.482 3.102 -16.161 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.778 4.280 -16.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.798 4.186 -18.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.416 3.673 -18.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.160 2.532 -18.416 1.00 0.00 H new ATOM 263 N LYS A 76 11.673 -1.843 -12.914 1.00 0.00 N ATOM 264 CA LYS A 76 12.047 -3.193 -12.474 1.00 0.00 C ATOM 265 C LYS A 76 13.525 -3.539 -12.670 1.00 0.00 C ATOM 266 O LYS A 76 13.968 -4.516 -12.074 1.00 0.00 O ATOM 267 CB LYS A 76 11.185 -4.255 -13.155 1.00 0.00 C ATOM 268 CG LYS A 76 9.684 -4.208 -12.856 1.00 0.00 C ATOM 269 CD LYS A 76 9.334 -4.153 -11.369 1.00 0.00 C ATOM 270 CE LYS A 76 7.889 -4.622 -11.168 1.00 0.00 C ATOM 271 NZ LYS A 76 7.359 -4.334 -9.818 1.00 0.00 N ATOM 0 H LYS A 76 10.966 -1.830 -13.649 1.00 0.00 H new ATOM 0 HA LYS A 76 11.866 -3.191 -11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.322 -4.166 -14.233 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.560 -5.237 -12.866 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.256 -3.336 -13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.211 -5.087 -13.295 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.016 -4.785 -10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.454 -3.137 -10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.252 -4.140 -11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.835 -5.695 -11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.633 -5.037 -9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.133 -4.379 -9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.939 -3.383 -9.806 1.00 0.00 H new ATOM 285 N GLU A 77 14.279 -2.735 -13.417 1.00 0.00 N ATOM 286 CA GLU A 77 15.736 -2.610 -13.345 1.00 0.00 C ATOM 287 C GLU A 77 16.211 -2.694 -11.892 1.00 0.00 C ATOM 288 O GLU A 77 16.717 -3.742 -11.507 1.00 0.00 O ATOM 289 CB GLU A 77 16.190 -1.291 -13.986 1.00 0.00 C ATOM 290 CG GLU A 77 16.255 -1.366 -15.513 1.00 0.00 C ATOM 291 CD GLU A 77 16.657 -0.007 -16.080 1.00 0.00 C ATOM 292 OE1 GLU A 77 15.841 0.927 -15.977 1.00 0.00 O ATOM 293 OE2 GLU A 77 17.781 0.147 -16.623 1.00 0.00 O ATOM 0 H GLU A 77 13.872 -2.123 -14.124 1.00 0.00 H new ATOM 0 HA GLU A 77 16.183 -3.436 -13.899 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.504 -0.496 -13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.173 -1.023 -13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.975 -2.125 -15.819 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.286 -1.665 -15.913 1.00 0.00 H new ATOM 300 N GLU A 78 15.997 -1.670 -11.059 1.00 0.00 N ATOM 301 CA GLU A 78 16.542 -1.642 -9.712 1.00 0.00 C ATOM 302 C GLU A 78 15.409 -1.732 -8.690 1.00 0.00 C ATOM 303 O GLU A 78 15.667 -2.117 -7.558 1.00 0.00 O ATOM 304 CB GLU A 78 17.400 -0.386 -9.484 1.00 0.00 C ATOM 305 CG GLU A 78 18.402 -0.032 -10.598 1.00 0.00 C ATOM 306 CD GLU A 78 19.800 0.259 -10.039 1.00 0.00 C ATOM 307 OE1 GLU A 78 20.580 -0.699 -9.811 1.00 0.00 O ATOM 308 OE2 GLU A 78 20.150 1.444 -9.866 1.00 0.00 O ATOM 0 H GLU A 78 15.445 -0.848 -11.303 1.00 0.00 H new ATOM 0 HA GLU A 78 17.195 -2.505 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.732 0.463 -9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.954 -0.514 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.460 -0.856 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.042 0.838 -11.147 1.00 0.00 H new ATOM 315 N LEU A 79 14.142 -1.461 -9.052 1.00 0.00 N ATOM 316 CA LEU A 79 13.014 -1.626 -8.134 1.00 0.00 C ATOM 317 C LEU A 79 12.961 -3.050 -7.585 1.00 0.00 C ATOM 318 O LEU A 79 12.698 -3.257 -6.398 1.00 0.00 O ATOM 319 CB LEU A 79 11.684 -1.347 -8.866 1.00 0.00 C ATOM 320 CG LEU A 79 10.447 -1.315 -7.941 1.00 0.00 C ATOM 321 CD1 LEU A 79 10.471 -0.109 -7.004 1.00 0.00 C ATOM 322 CD2 LEU A 79 9.171 -1.281 -8.789 1.00 0.00 C ATOM 0 H LEU A 79 13.879 -1.126 -9.979 1.00 0.00 H new ATOM 0 HA LEU A 79 13.153 -0.920 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.761 -0.391 -9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.534 -2.112 -9.628 1.00 0.00 H new ATOM 0 HG LEU A 79 10.466 -2.216 -7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.584 -0.123 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.364 -0.151 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.482 0.809 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.300 -1.258 -8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.176 -0.391 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.129 -2.170 -9.419 1.00 0.00 H new ATOM 334 N LYS A 80 13.156 -4.030 -8.477 1.00 0.00 N ATOM 335 CA LYS A 80 13.160 -5.432 -8.079 1.00 0.00 C ATOM 336 C LYS A 80 14.371 -5.708 -7.207 1.00 0.00 C ATOM 337 O LYS A 80 14.149 -6.288 -6.150 1.00 0.00 O ATOM 338 CB LYS A 80 13.018 -6.405 -9.271 1.00 0.00 C ATOM 339 CG LYS A 80 12.326 -7.729 -8.875 1.00 0.00 C ATOM 340 CD LYS A 80 13.231 -8.767 -8.170 1.00 0.00 C ATOM 341 CE LYS A 80 12.577 -9.488 -6.975 1.00 0.00 C ATOM 342 NZ LYS A 80 11.610 -10.544 -7.357 1.00 0.00 N ATOM 0 H LYS A 80 13.312 -3.873 -9.473 1.00 0.00 H new ATOM 0 HA LYS A 80 12.268 -5.623 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.446 -5.923 -10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.006 -6.622 -9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.487 -7.498 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.911 -8.185 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.542 -9.513 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.134 -8.265 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.360 -9.933 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.067 -8.751 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.215 -10.980 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.841 -10.124 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.094 -11.270 -7.923 1.00 0.00 H new ATOM 356 N GLU A 81 15.592 -5.288 -7.578 1.00 0.00 N ATOM 357 CA GLU A 81 16.748 -5.453 -6.690 1.00 0.00 C ATOM 358 C GLU A 81 16.431 -4.902 -5.323 1.00 0.00 C ATOM 359 O GLU A 81 16.495 -5.655 -4.364 1.00 0.00 O ATOM 360 CB GLU A 81 18.045 -4.801 -7.199 1.00 0.00 C ATOM 361 CG GLU A 81 18.799 -5.835 -8.018 1.00 0.00 C ATOM 362 CD GLU A 81 20.243 -5.436 -8.310 1.00 0.00 C ATOM 363 OE1 GLU A 81 21.095 -5.638 -7.422 1.00 0.00 O ATOM 364 OE2 GLU A 81 20.529 -5.035 -9.464 1.00 0.00 O ATOM 0 H GLU A 81 15.800 -4.840 -8.471 1.00 0.00 H new ATOM 0 HA GLU A 81 16.933 -6.527 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.818 -3.925 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.654 -4.460 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.793 -6.786 -7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.275 -5.994 -8.961 1.00 0.00 H new ATOM 371 N PHE A 82 16.015 -3.643 -5.237 1.00 0.00 N ATOM 372 CA PHE A 82 15.677 -2.998 -3.985 1.00 0.00 C ATOM 373 C PHE A 82 14.809 -3.911 -3.126 1.00 0.00 C ATOM 374 O PHE A 82 15.175 -4.263 -2.011 1.00 0.00 O ATOM 375 CB PHE A 82 15.010 -1.650 -4.276 1.00 0.00 C ATOM 376 CG PHE A 82 14.459 -0.929 -3.063 1.00 0.00 C ATOM 377 CD1 PHE A 82 13.184 -1.251 -2.569 1.00 0.00 C ATOM 378 CD2 PHE A 82 15.207 0.077 -2.439 1.00 0.00 C ATOM 379 CE1 PHE A 82 12.620 -0.532 -1.505 1.00 0.00 C ATOM 380 CE2 PHE A 82 14.654 0.813 -1.380 1.00 0.00 C ATOM 381 CZ PHE A 82 13.358 0.513 -0.927 1.00 0.00 C ATOM 0 H PHE A 82 15.903 -3.038 -6.050 1.00 0.00 H new ATOM 0 HA PHE A 82 16.582 -2.805 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.736 -1.001 -4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.197 -1.810 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.630 -2.064 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.212 0.287 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.635 -0.778 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.221 1.606 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.925 1.093 -0.125 1.00 0.00 H new ATOM 391 N GLN A 83 13.657 -4.331 -3.634 1.00 0.00 N ATOM 392 CA GLN A 83 12.706 -5.064 -2.817 1.00 0.00 C ATOM 393 C GLN A 83 13.190 -6.491 -2.522 1.00 0.00 C ATOM 394 O GLN A 83 12.789 -7.088 -1.523 1.00 0.00 O ATOM 395 CB GLN A 83 11.379 -5.035 -3.577 1.00 0.00 C ATOM 396 CG GLN A 83 10.157 -5.364 -2.718 1.00 0.00 C ATOM 397 CD GLN A 83 8.872 -5.346 -3.540 1.00 0.00 C ATOM 398 OE1 GLN A 83 8.866 -5.028 -4.727 1.00 0.00 O ATOM 399 NE2 GLN A 83 7.754 -5.735 -2.953 1.00 0.00 N ATOM 0 H GLN A 83 13.363 -4.177 -4.599 1.00 0.00 H new ATOM 0 HA GLN A 83 12.590 -4.605 -1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 83 11.246 -4.046 -4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.430 -5.745 -4.403 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.285 -6.346 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 83 10.079 -4.643 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.760 -5.999 -1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.885 -5.772 -3.485 1.00 0.00 H new ATOM 408 N LEU A 84 14.020 -7.074 -3.389 1.00 0.00 N ATOM 409 CA LEU A 84 14.676 -8.345 -3.196 1.00 0.00 C ATOM 410 C LEU A 84 15.656 -8.211 -2.034 1.00 0.00 C ATOM 411 O LEU A 84 15.510 -8.905 -1.034 1.00 0.00 O ATOM 412 CB LEU A 84 15.355 -8.719 -4.525 1.00 0.00 C ATOM 413 CG LEU A 84 15.616 -10.207 -4.677 1.00 0.00 C ATOM 414 CD1 LEU A 84 16.105 -10.484 -6.096 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.617 -10.729 -3.648 1.00 0.00 C ATOM 0 H LEU A 84 14.256 -6.643 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 84 13.983 -9.145 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.728 -8.382 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.301 -8.183 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 84 14.682 -10.738 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.295 -11.551 -6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.344 -10.170 -6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.025 -9.929 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.770 -11.798 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.566 -10.207 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.230 -10.556 -2.644 1.00 0.00 H new ATOM 427 N LEU A 85 16.619 -7.300 -2.152 1.00 0.00 N ATOM 428 CA LEU A 85 17.671 -7.032 -1.187 1.00 0.00 C ATOM 429 C LEU A 85 17.074 -6.661 0.176 1.00 0.00 C ATOM 430 O LEU A 85 17.502 -7.209 1.189 1.00 0.00 O ATOM 431 CB LEU A 85 18.616 -5.937 -1.723 1.00 0.00 C ATOM 432 CG LEU A 85 19.369 -6.247 -3.039 1.00 0.00 C ATOM 433 CD1 LEU A 85 20.212 -5.032 -3.463 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.214 -7.520 -2.944 1.00 0.00 C ATOM 0 H LEU A 85 16.686 -6.697 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 85 18.262 -7.937 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 85 18.033 -5.028 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.355 -5.719 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 85 18.625 -6.439 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.738 -5.260 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.560 -4.173 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.936 -4.801 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.721 -7.692 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.955 -7.407 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.569 -8.369 -2.719 1.00 0.00 H new ATOM 446 N LEU A 86 16.030 -5.821 0.225 1.00 0.00 N ATOM 447 CA LEU A 86 15.371 -5.443 1.470 1.00 0.00 C ATOM 448 C LEU A 86 14.845 -6.690 2.184 1.00 0.00 C ATOM 449 O LEU A 86 15.005 -6.854 3.394 1.00 0.00 O ATOM 450 CB LEU A 86 14.313 -4.338 1.203 1.00 0.00 C ATOM 451 CG LEU A 86 12.812 -4.702 1.193 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.269 -5.167 2.557 1.00 0.00 C ATOM 453 CD2 LEU A 86 11.990 -3.491 0.729 1.00 0.00 C ATOM 0 H LEU A 86 15.623 -5.387 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 86 16.082 -4.993 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.455 -3.563 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 86 14.546 -3.891 0.237 1.00 0.00 H new ATOM 0 HG LEU A 86 12.714 -5.543 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.209 -5.403 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.812 -6.055 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.401 -4.372 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.931 -3.751 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.155 -2.657 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.299 -3.205 -0.276 1.00 0.00 H new ATOM 465 N ALA A 87 14.228 -7.612 1.442 1.00 0.00 N ATOM 466 CA ALA A 87 13.702 -8.827 2.034 1.00 0.00 C ATOM 467 C ALA A 87 14.836 -9.780 2.418 1.00 0.00 C ATOM 468 O ALA A 87 14.728 -10.453 3.441 1.00 0.00 O ATOM 469 CB ALA A 87 12.754 -9.501 1.044 1.00 0.00 C ATOM 0 H ALA A 87 14.085 -7.534 0.435 1.00 0.00 H new ATOM 0 HA ALA A 87 13.157 -8.572 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.356 -10.415 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.932 -8.824 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.296 -9.745 0.130 1.00 0.00 H new ATOM 475 N ASN A 88 15.904 -9.841 1.618 1.00 0.00 N ATOM 476 CA ASN A 88 17.121 -10.607 1.887 1.00 0.00 C ATOM 477 C ASN A 88 17.666 -10.209 3.266 1.00 0.00 C ATOM 478 O ASN A 88 17.815 -11.055 4.147 1.00 0.00 O ATOM 479 CB ASN A 88 18.129 -10.382 0.736 1.00 0.00 C ATOM 480 CG ASN A 88 19.360 -11.276 0.793 1.00 0.00 C ATOM 481 OD1 ASN A 88 19.835 -11.646 1.862 1.00 0.00 O ATOM 482 ND2 ASN A 88 19.949 -11.603 -0.349 1.00 0.00 N ATOM 0 H ASN A 88 15.945 -9.338 0.731 1.00 0.00 H new ATOM 0 HA ASN A 88 16.919 -11.678 1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.620 -10.546 -0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.451 -9.341 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 88 20.801 -12.164 -0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.551 -11.293 -1.235 1.00 0.00 H new ATOM 489 N LYS A 89 17.849 -8.905 3.507 1.00 0.00 N ATOM 490 CA LYS A 89 18.227 -8.317 4.778 1.00 0.00 C ATOM 491 C LYS A 89 17.236 -8.711 5.876 1.00 0.00 C ATOM 492 O LYS A 89 17.661 -9.087 6.972 1.00 0.00 O ATOM 493 CB LYS A 89 18.325 -6.799 4.522 1.00 0.00 C ATOM 494 CG LYS A 89 18.244 -5.917 5.767 1.00 0.00 C ATOM 495 CD LYS A 89 19.546 -5.841 6.578 1.00 0.00 C ATOM 496 CE LYS A 89 19.308 -6.103 8.067 1.00 0.00 C ATOM 497 NZ LYS A 89 20.473 -5.712 8.890 1.00 0.00 N ATOM 0 H LYS A 89 17.729 -8.203 2.776 1.00 0.00 H new ATOM 0 HA LYS A 89 19.186 -8.682 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.267 -6.594 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.525 -6.510 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 89 17.959 -4.909 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.450 -6.293 6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 89 20.258 -6.570 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.996 -4.857 6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.429 -5.550 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.095 -7.161 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.271 -5.906 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.307 -6.258 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.662 -4.697 8.765 1.00 0.00 H new ATOM 511 N ALA A 90 15.927 -8.596 5.629 1.00 0.00 N ATOM 512 CA ALA A 90 14.903 -8.851 6.641 1.00 0.00 C ATOM 513 C ALA A 90 14.788 -10.325 7.057 1.00 0.00 C ATOM 514 O ALA A 90 14.196 -10.585 8.104 1.00 0.00 O ATOM 515 CB ALA A 90 13.537 -8.398 6.128 1.00 0.00 C ATOM 0 H ALA A 90 15.550 -8.323 4.721 1.00 0.00 H new ATOM 0 HA ALA A 90 15.214 -8.284 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.780 -8.592 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.566 -7.331 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.289 -8.948 5.220 1.00 0.00 H new ATOM 712 N LYS A 105 2.505 -6.523 -6.534 1.00 0.00 N ATOM 713 CA LYS A 105 3.592 -5.598 -6.248 1.00 0.00 C ATOM 714 C LYS A 105 4.232 -5.110 -7.545 1.00 0.00 C ATOM 715 O LYS A 105 5.221 -5.632 -8.070 1.00 0.00 O ATOM 716 CB LYS A 105 4.565 -6.189 -5.233 1.00 0.00 C ATOM 717 CG LYS A 105 5.360 -7.431 -5.700 1.00 0.00 C ATOM 718 CD LYS A 105 6.817 -7.062 -6.028 1.00 0.00 C ATOM 719 CE LYS A 105 7.427 -7.787 -7.228 1.00 0.00 C ATOM 720 NZ LYS A 105 7.823 -9.168 -6.907 1.00 0.00 N ATOM 0 HA LYS A 105 3.197 -4.704 -5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.276 -5.414 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.006 -6.456 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.341 -8.193 -4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.883 -7.862 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.869 -5.989 -6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.431 -7.267 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.707 -7.799 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.298 -7.234 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.231 -9.617 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.530 -9.158 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.988 -9.706 -6.598 1.00 0.00 H new ATOM 734 N THR A 106 3.614 -4.106 -8.114 1.00 0.00 N ATOM 735 CA THR A 106 3.810 -3.700 -9.492 1.00 0.00 C ATOM 736 C THR A 106 3.580 -2.207 -9.671 1.00 0.00 C ATOM 737 O THR A 106 3.729 -1.696 -10.785 1.00 0.00 O ATOM 738 CB THR A 106 2.869 -4.562 -10.369 1.00 0.00 C ATOM 739 OG1 THR A 106 1.692 -4.992 -9.678 1.00 0.00 O ATOM 740 CG2 THR A 106 3.575 -5.855 -10.797 1.00 0.00 C ATOM 0 H THR A 106 2.937 -3.526 -7.618 1.00 0.00 H new ATOM 0 HA THR A 106 4.842 -3.867 -9.800 1.00 0.00 H new ATOM 0 HB THR A 106 2.601 -3.922 -11.210 1.00 0.00 H new ATOM 0 HG1 THR A 106 1.277 -4.225 -9.231 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.901 -6.451 -11.413 1.00 0.00 H new ATOM 0 HG22 THR A 106 4.469 -5.609 -11.370 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.857 -6.425 -9.912 1.00 0.00 H new ATOM 748 N SER A 107 3.398 -1.503 -8.562 1.00 0.00 N ATOM 749 CA SER A 107 3.499 -0.063 -8.483 1.00 0.00 C ATOM 750 C SER A 107 4.402 0.249 -7.297 1.00 0.00 C ATOM 751 O SER A 107 4.593 -0.607 -6.424 1.00 0.00 O ATOM 752 CB SER A 107 2.092 0.519 -8.310 1.00 0.00 C ATOM 753 OG SER A 107 1.191 0.068 -9.299 1.00 0.00 O ATOM 0 H SER A 107 3.169 -1.938 -7.668 1.00 0.00 H new ATOM 0 HA SER A 107 3.924 0.380 -9.384 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.710 0.249 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.147 1.607 -8.343 1.00 0.00 H new ATOM 0 HG SER A 107 0.309 0.466 -9.144 1.00 0.00 H new ATOM 759 N GLY A 108 4.944 1.459 -7.228 1.00 0.00 N ATOM 760 CA GLY A 108 5.612 1.931 -6.028 1.00 0.00 C ATOM 761 C GLY A 108 4.600 2.001 -4.888 1.00 0.00 C ATOM 762 O GLY A 108 4.856 1.526 -3.785 1.00 0.00 O ATOM 0 H GLY A 108 4.932 2.132 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.430 1.260 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.050 2.914 -6.203 1.00 0.00 H new ATOM 766 N MET A 109 3.422 2.547 -5.196 1.00 0.00 N ATOM 767 CA MET A 109 2.277 2.702 -4.305 1.00 0.00 C ATOM 768 C MET A 109 1.718 1.360 -3.806 1.00 0.00 C ATOM 769 O MET A 109 1.119 1.319 -2.737 1.00 0.00 O ATOM 770 CB MET A 109 1.198 3.549 -5.016 1.00 0.00 C ATOM 771 CG MET A 109 0.898 3.029 -6.426 1.00 0.00 C ATOM 772 SD MET A 109 -0.496 3.756 -7.317 1.00 0.00 S ATOM 773 CE MET A 109 0.164 5.385 -7.740 1.00 0.00 C ATOM 0 H MET A 109 3.234 2.913 -6.129 1.00 0.00 H new ATOM 0 HA MET A 109 2.611 3.221 -3.407 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.283 3.541 -4.424 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.531 4.585 -5.075 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.793 3.171 -7.032 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.727 1.955 -6.357 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.587 5.949 -8.294 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.421 5.922 -6.827 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.056 5.268 -8.355 1.00 0.00 H new ATOM 783 N GLU A 110 1.937 0.251 -4.520 1.00 0.00 N ATOM 784 CA GLU A 110 1.498 -1.054 -4.034 1.00 0.00 C ATOM 785 C GLU A 110 2.453 -1.546 -2.964 1.00 0.00 C ATOM 786 O GLU A 110 2.031 -1.884 -1.858 1.00 0.00 O ATOM 787 CB GLU A 110 1.439 -2.068 -5.186 1.00 0.00 C ATOM 788 CG GLU A 110 0.119 -1.960 -5.942 1.00 0.00 C ATOM 789 CD GLU A 110 0.123 -2.562 -7.352 1.00 0.00 C ATOM 790 OE1 GLU A 110 1.064 -3.319 -7.711 1.00 0.00 O ATOM 791 OE2 GLU A 110 -0.799 -2.218 -8.111 1.00 0.00 O ATOM 0 H GLU A 110 2.409 0.233 -5.424 1.00 0.00 H new ATOM 0 HA GLU A 110 0.498 -0.952 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.269 -1.895 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.555 -3.078 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.658 -2.452 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.155 -0.907 -6.014 1.00 0.00 H new ATOM 798 N VAL A 111 3.750 -1.542 -3.279 1.00 0.00 N ATOM 799 CA VAL A 111 4.788 -1.935 -2.338 1.00 0.00 C ATOM 800 C VAL A 111 4.674 -1.070 -1.080 1.00 0.00 C ATOM 801 O VAL A 111 4.840 -1.578 0.022 1.00 0.00 O ATOM 802 CB VAL A 111 6.159 -1.858 -3.036 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.306 -2.208 -2.081 1.00 0.00 C ATOM 804 CG2 VAL A 111 6.194 -2.851 -4.207 1.00 0.00 C ATOM 0 H VAL A 111 4.105 -1.266 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 111 4.669 -2.969 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 111 6.291 -0.833 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.255 -2.142 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.309 -1.509 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.170 -3.222 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.164 -2.797 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.034 -3.862 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.409 -2.600 -4.920 1.00 0.00 H new ATOM 814 N ALA A 112 4.309 0.201 -1.224 1.00 0.00 N ATOM 815 CA ALA A 112 4.083 1.118 -0.128 1.00 0.00 C ATOM 816 C ALA A 112 3.084 0.597 0.903 1.00 0.00 C ATOM 817 O ALA A 112 3.458 0.399 2.061 1.00 0.00 O ATOM 818 CB ALA A 112 3.636 2.445 -0.726 1.00 0.00 C ATOM 0 H ALA A 112 4.160 0.627 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 112 5.012 1.239 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.456 3.163 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.414 2.827 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.718 2.297 -1.294 1.00 0.00 H new ATOM 824 N SER A 113 1.834 0.363 0.498 1.00 0.00 N ATOM 825 CA SER A 113 0.803 -0.152 1.396 1.00 0.00 C ATOM 826 C SER A 113 1.199 -1.509 1.978 1.00 0.00 C ATOM 827 O SER A 113 0.847 -1.841 3.111 1.00 0.00 O ATOM 828 CB SER A 113 -0.524 -0.237 0.627 1.00 0.00 C ATOM 829 OG SER A 113 -1.578 0.352 1.367 1.00 0.00 O ATOM 0 H SER A 113 1.511 0.525 -0.456 1.00 0.00 H new ATOM 0 HA SER A 113 0.687 0.527 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.424 0.267 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.761 -1.280 0.417 1.00 0.00 H new ATOM 0 HG SER A 113 -2.412 0.287 0.857 1.00 0.00 H new ATOM 835 N TYR A 114 1.963 -2.288 1.219 1.00 0.00 N ATOM 836 CA TYR A 114 2.397 -3.610 1.636 1.00 0.00 C ATOM 837 C TYR A 114 3.465 -3.505 2.728 1.00 0.00 C ATOM 838 O TYR A 114 3.518 -4.323 3.645 1.00 0.00 O ATOM 839 CB TYR A 114 2.875 -4.360 0.389 1.00 0.00 C ATOM 840 CG TYR A 114 3.926 -5.402 0.668 1.00 0.00 C ATOM 841 CD1 TYR A 114 5.282 -5.022 0.692 1.00 0.00 C ATOM 842 CD2 TYR A 114 3.541 -6.718 0.976 1.00 0.00 C ATOM 843 CE1 TYR A 114 6.266 -5.977 0.984 1.00 0.00 C ATOM 844 CE2 TYR A 114 4.517 -7.668 1.298 1.00 0.00 C ATOM 845 CZ TYR A 114 5.878 -7.299 1.286 1.00 0.00 C ATOM 846 OH TYR A 114 6.835 -8.232 1.512 1.00 0.00 O ATOM 0 H TYR A 114 2.298 -2.016 0.295 1.00 0.00 H new ATOM 0 HA TYR A 114 1.578 -4.173 2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.019 -4.840 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.273 -3.640 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 114 5.563 -4.000 0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.497 -6.995 0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.311 -5.703 0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.230 -8.677 1.554 1.00 0.00 H new ATOM 0 HH TYR A 114 6.412 -9.094 1.708 1.00 0.00 H new ATOM 856 N LEU A 115 4.340 -2.507 2.644 1.00 0.00 N ATOM 857 CA LEU A 115 5.446 -2.335 3.566 1.00 0.00 C ATOM 858 C LEU A 115 4.924 -1.921 4.941 1.00 0.00 C ATOM 859 O LEU A 115 5.395 -2.462 5.942 1.00 0.00 O ATOM 860 CB LEU A 115 6.428 -1.309 2.985 1.00 0.00 C ATOM 861 CG LEU A 115 7.404 -1.855 1.934 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.228 -0.699 1.345 1.00 0.00 C ATOM 863 CD2 LEU A 115 8.325 -2.931 2.508 1.00 0.00 C ATOM 0 H LEU A 115 4.296 -1.788 1.922 1.00 0.00 H new ATOM 0 HA LEU A 115 5.979 -3.277 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.856 -0.496 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.005 -0.879 3.804 1.00 0.00 H new ATOM 0 HG LEU A 115 6.818 -2.326 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.920 -1.089 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.559 0.023 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.790 -0.210 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.998 -3.288 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.909 -2.511 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.726 -3.763 2.879 1.00 0.00 H new ATOM 875 N VAL A 116 3.961 -0.999 5.012 1.00 0.00 N ATOM 876 CA VAL A 116 3.267 -0.673 6.267 1.00 0.00 C ATOM 877 C VAL A 116 2.555 -1.930 6.777 1.00 0.00 C ATOM 878 O VAL A 116 2.689 -2.244 7.957 1.00 0.00 O ATOM 879 CB VAL A 116 2.306 0.530 6.081 1.00 0.00 C ATOM 880 CG1 VAL A 116 1.748 0.987 7.449 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.010 1.720 5.395 1.00 0.00 C ATOM 0 H VAL A 116 3.640 -0.459 4.209 1.00 0.00 H new ATOM 0 HA VAL A 116 3.988 -0.359 7.021 1.00 0.00 H new ATOM 0 HB VAL A 116 1.489 0.198 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.075 1.832 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.203 0.165 7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.572 1.287 8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.305 2.544 5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.853 2.045 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.370 1.413 4.413 1.00 0.00 H new ATOM 891 N ALA A 117 1.880 -2.705 5.919 1.00 0.00 N ATOM 892 CA ALA A 117 1.245 -3.941 6.367 1.00 0.00 C ATOM 893 C ALA A 117 2.258 -4.908 7.004 1.00 0.00 C ATOM 894 O ALA A 117 1.978 -5.522 8.040 1.00 0.00 O ATOM 895 CB ALA A 117 0.495 -4.601 5.206 1.00 0.00 C ATOM 0 H ALA A 117 1.763 -2.499 4.927 1.00 0.00 H new ATOM 0 HA ALA A 117 0.524 -3.687 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.026 -5.522 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.271 -3.921 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.196 -4.831 4.404 1.00 0.00 H new ATOM 901 N GLN A 118 3.439 -5.048 6.405 1.00 0.00 N ATOM 902 CA GLN A 118 4.494 -5.935 6.878 1.00 0.00 C ATOM 903 C GLN A 118 5.174 -5.430 8.154 1.00 0.00 C ATOM 904 O GLN A 118 5.424 -6.241 9.047 1.00 0.00 O ATOM 905 CB GLN A 118 5.539 -6.089 5.778 1.00 0.00 C ATOM 906 CG GLN A 118 5.106 -7.058 4.677 1.00 0.00 C ATOM 907 CD GLN A 118 5.193 -8.518 5.115 1.00 0.00 C ATOM 908 OE1 GLN A 118 6.140 -8.919 5.796 1.00 0.00 O ATOM 909 NE2 GLN A 118 4.248 -9.353 4.720 1.00 0.00 N ATOM 0 H GLN A 118 3.692 -4.536 5.560 1.00 0.00 H new ATOM 0 HA GLN A 118 4.031 -6.891 7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.741 -5.113 5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.473 -6.440 6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.082 -6.832 4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 118 5.733 -6.908 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.469 -9.012 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.298 -10.339 4.978 1.00 0.00 H new ATOM 918 N TYR A 119 5.490 -4.139 8.244 1.00 0.00 N ATOM 919 CA TYR A 119 6.328 -3.584 9.310 1.00 0.00 C ATOM 920 C TYR A 119 5.680 -2.404 10.038 1.00 0.00 C ATOM 921 O TYR A 119 5.823 -2.325 11.259 1.00 0.00 O ATOM 922 CB TYR A 119 7.663 -3.111 8.730 1.00 0.00 C ATOM 923 CG TYR A 119 8.508 -4.144 8.015 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.287 -4.347 6.643 1.00 0.00 C ATOM 925 CD2 TYR A 119 9.504 -4.886 8.685 1.00 0.00 C ATOM 926 CE1 TYR A 119 8.969 -5.354 5.954 1.00 0.00 C ATOM 927 CE2 TYR A 119 10.188 -5.908 8.001 1.00 0.00 C ATOM 928 CZ TYR A 119 9.897 -6.165 6.642 1.00 0.00 C ATOM 929 OH TYR A 119 10.467 -7.222 6.003 1.00 0.00 O ATOM 0 H TYR A 119 5.169 -3.441 7.573 1.00 0.00 H new ATOM 0 HA TYR A 119 6.469 -4.388 10.033 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.460 -2.298 8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 119 8.256 -2.693 9.543 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.584 -3.719 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 119 9.740 -4.671 9.717 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.787 -5.511 4.901 1.00 0.00 H new ATOM 0 HE2 TYR A 119 10.935 -6.496 8.514 1.00 0.00 H new ATOM 0 HH TYR A 119 10.533 -7.028 5.045 1.00 0.00 H new ATOM 939 N GLY A 120 5.068 -1.454 9.323 1.00 0.00 N ATOM 940 CA GLY A 120 4.398 -0.277 9.876 1.00 0.00 C ATOM 941 C GLY A 120 4.885 1.050 9.280 1.00 0.00 C ATOM 942 O GLY A 120 4.769 1.318 8.102 1.00 0.00 O ATOM 0 H GLY A 120 5.025 -1.487 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.325 -0.368 9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.550 -0.257 10.955 1.00 0.00 H new ATOM 946 N GLU A 121 5.457 1.912 10.091 1.00 0.00 N ATOM 947 CA GLU A 121 6.082 3.179 9.666 1.00 0.00 C ATOM 948 C GLU A 121 7.572 3.279 10.024 1.00 0.00 C ATOM 949 O GLU A 121 8.300 4.056 9.403 1.00 0.00 O ATOM 950 CB GLU A 121 5.327 4.421 10.180 1.00 0.00 C ATOM 951 CG GLU A 121 4.104 4.782 9.314 1.00 0.00 C ATOM 952 CD GLU A 121 3.975 6.293 9.035 1.00 0.00 C ATOM 953 OE1 GLU A 121 4.882 6.889 8.409 1.00 0.00 O ATOM 954 OE2 GLU A 121 2.907 6.877 9.359 1.00 0.00 O ATOM 0 H GLU A 121 5.510 1.761 11.098 1.00 0.00 H new ATOM 0 HA GLU A 121 6.010 3.164 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.000 4.243 11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 121 6.010 5.270 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.170 4.249 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.200 4.434 9.813 1.00 0.00 H new ATOM 961 N GLN A 122 8.061 2.503 10.997 1.00 0.00 N ATOM 962 CA GLN A 122 9.480 2.383 11.281 1.00 0.00 C ATOM 963 C GLN A 122 10.053 1.429 10.254 1.00 0.00 C ATOM 964 O GLN A 122 10.455 1.876 9.182 1.00 0.00 O ATOM 965 CB GLN A 122 9.718 1.952 12.737 1.00 0.00 C ATOM 966 CG GLN A 122 9.565 3.102 13.742 1.00 0.00 C ATOM 967 CD GLN A 122 8.117 3.477 14.017 1.00 0.00 C ATOM 968 OE1 GLN A 122 7.414 2.781 14.748 1.00 0.00 O ATOM 969 NE2 GLN A 122 7.603 4.549 13.445 1.00 0.00 N ATOM 0 H GLN A 122 7.472 1.939 11.610 1.00 0.00 H new ATOM 0 HA GLN A 122 9.994 3.341 11.196 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.016 1.159 12.993 1.00 0.00 H new ATOM 0 HB3 GLN A 122 10.720 1.532 12.825 1.00 0.00 H new ATOM 0 HG2 GLN A 122 10.044 2.821 14.680 1.00 0.00 H new ATOM 0 HG3 GLN A 122 10.093 3.977 13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.181 5.130 12.838 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.627 4.797 13.610 1.00 0.00 H new ATOM 978 N ARG A 123 10.069 0.121 10.531 1.00 0.00 N ATOM 979 CA ARG A 123 10.752 -0.818 9.634 1.00 0.00 C ATOM 980 C ARG A 123 10.122 -0.917 8.257 1.00 0.00 C ATOM 981 O ARG A 123 10.728 -1.519 7.377 1.00 0.00 O ATOM 982 CB ARG A 123 10.917 -2.208 10.286 1.00 0.00 C ATOM 983 CG ARG A 123 11.773 -2.257 11.542 1.00 0.00 C ATOM 984 CD ARG A 123 13.042 -1.471 11.302 1.00 0.00 C ATOM 985 NE ARG A 123 13.933 -1.526 12.467 1.00 0.00 N ATOM 986 CZ ARG A 123 13.941 -0.659 13.488 1.00 0.00 C ATOM 987 NH1 ARG A 123 13.074 0.348 13.538 1.00 0.00 N ATOM 988 NH2 ARG A 123 14.825 -0.787 14.459 1.00 0.00 N ATOM 0 H ARG A 123 9.629 -0.304 11.347 1.00 0.00 H new ATOM 0 HA ARG A 123 11.746 -0.400 9.472 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.927 -2.593 10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.349 -2.884 9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.226 -1.840 12.387 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.012 -3.290 11.795 1.00 0.00 H new ATOM 0 HD2 ARG A 123 13.558 -1.868 10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 123 12.793 -0.433 11.081 1.00 0.00 H new ATOM 0 HE ARG A 123 14.606 -2.292 12.502 1.00 0.00 H new ATOM 0 HH11 ARG A 123 12.389 0.469 12.792 1.00 0.00 H new ATOM 0 HH12 ARG A 123 13.094 0.999 14.323 1.00 0.00 H new ATOM 0 HH21 ARG A 123 15.504 -1.547 14.433 1.00 0.00 H new ATOM 0 HH22 ARG A 123 14.829 -0.126 15.235 1.00 0.00 H new ATOM 1002 N ALA A 124 8.964 -0.313 8.017 1.00 0.00 N ATOM 1003 CA ALA A 124 8.429 -0.332 6.679 1.00 0.00 C ATOM 1004 C ALA A 124 9.240 0.536 5.757 1.00 0.00 C ATOM 1005 O ALA A 124 9.378 0.143 4.606 1.00 0.00 O ATOM 1006 CB ALA A 124 6.994 0.172 6.684 1.00 0.00 C ATOM 0 H ALA A 124 8.400 0.178 8.711 1.00 0.00 H new ATOM 0 HA ALA A 124 8.466 -1.362 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.598 0.154 5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.385 -0.469 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 124 6.968 1.193 7.065 1.00 0.00 H new ATOM 1012 N TRP A 125 9.638 1.733 6.191 1.00 0.00 N ATOM 1013 CA TRP A 125 10.358 2.667 5.353 1.00 0.00 C ATOM 1014 C TRP A 125 11.817 2.638 5.742 1.00 0.00 C ATOM 1015 O TRP A 125 12.659 2.519 4.886 1.00 0.00 O ATOM 1016 CB TRP A 125 9.746 4.064 5.402 1.00 0.00 C ATOM 1017 CG TRP A 125 10.282 4.990 4.343 1.00 0.00 C ATOM 1018 CD1 TRP A 125 10.875 6.178 4.580 1.00 0.00 C ATOM 1019 CD2 TRP A 125 10.377 4.796 2.893 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.280 6.756 3.398 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.008 5.943 2.319 1.00 0.00 C ATOM 1022 CE3 TRP A 125 9.981 3.775 1.997 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.231 6.070 0.935 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.206 3.886 0.610 1.00 0.00 C ATOM 1025 CH2 TRP A 125 10.826 5.030 0.076 1.00 0.00 C ATOM 0 H TRP A 125 9.465 2.074 7.137 1.00 0.00 H new ATOM 0 HA TRP A 125 10.277 2.366 4.309 1.00 0.00 H new ATOM 0 HB2 TRP A 125 8.665 3.983 5.290 1.00 0.00 H new ATOM 0 HB3 TRP A 125 9.933 4.500 6.383 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.013 6.614 5.558 1.00 0.00 H new ATOM 0 HE1 TRP A 125 11.725 7.671 3.329 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.496 2.891 2.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 11.707 6.954 0.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 9.900 3.086 -0.048 1.00 0.00 H new ATOM 0 HH2 TRP A 125 10.991 5.111 -0.988 1.00 0.00 H new ATOM 1036 N ASP A 126 12.176 2.667 7.011 1.00 0.00 N ATOM 1037 CA ASP A 126 13.563 2.673 7.461 1.00 0.00 C ATOM 1038 C ASP A 126 14.374 1.496 6.928 1.00 0.00 C ATOM 1039 O ASP A 126 15.540 1.650 6.574 1.00 0.00 O ATOM 1040 CB ASP A 126 13.609 2.685 8.999 1.00 0.00 C ATOM 1041 CG ASP A 126 14.677 3.633 9.518 1.00 0.00 C ATOM 1042 OD1 ASP A 126 14.576 4.845 9.222 1.00 0.00 O ATOM 1043 OD2 ASP A 126 15.554 3.181 10.293 1.00 0.00 O ATOM 0 H ASP A 126 11.502 2.688 7.776 1.00 0.00 H new ATOM 0 HA ASP A 126 14.022 3.577 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.636 2.982 9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.806 1.678 9.366 1.00 0.00 H new ATOM 1048 N LEU A 127 13.753 0.314 6.834 1.00 0.00 N ATOM 1049 CA LEU A 127 14.421 -0.863 6.270 1.00 0.00 C ATOM 1050 C LEU A 127 14.455 -0.730 4.737 1.00 0.00 C ATOM 1051 O LEU A 127 15.437 -1.073 4.092 1.00 0.00 O ATOM 1052 CB LEU A 127 13.611 -2.087 6.743 1.00 0.00 C ATOM 1053 CG LEU A 127 14.242 -3.481 6.713 1.00 0.00 C ATOM 1054 CD1 LEU A 127 13.214 -4.477 7.266 1.00 0.00 C ATOM 1055 CD2 LEU A 127 14.605 -3.857 5.291 1.00 0.00 C ATOM 0 H LEU A 127 12.794 0.148 7.140 1.00 0.00 H new ATOM 0 HA LEU A 127 15.455 -0.966 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.301 -1.893 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 127 12.704 -2.129 6.139 1.00 0.00 H new ATOM 0 HG LEU A 127 15.150 -3.496 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 127 13.638 -5.481 7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 127 12.955 -4.203 8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 127 12.317 -4.456 6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 127 15.053 -4.851 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 127 13.706 -3.858 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 127 15.317 -3.134 4.894 1.00 0.00 H new ATOM 1067 N ALA A 128 13.395 -0.182 4.143 1.00 0.00 N ATOM 1068 CA ALA A 128 13.315 0.179 2.742 1.00 0.00 C ATOM 1069 C ALA A 128 14.520 1.007 2.374 1.00 0.00 C ATOM 1070 O ALA A 128 15.331 0.600 1.557 1.00 0.00 O ATOM 1071 CB ALA A 128 12.030 0.987 2.508 1.00 0.00 C ATOM 0 H ALA A 128 12.537 0.028 4.653 1.00 0.00 H new ATOM 0 HA ALA A 128 13.296 -0.718 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.961 1.264 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.165 0.383 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.051 1.889 3.120 1.00 0.00 H new ATOM 1077 N LEU A 129 14.629 2.154 3.026 1.00 0.00 N ATOM 1078 CA LEU A 129 15.421 3.283 2.592 1.00 0.00 C ATOM 1079 C LEU A 129 16.903 3.077 2.891 1.00 0.00 C ATOM 1080 O LEU A 129 17.766 3.551 2.153 1.00 0.00 O ATOM 1081 CB LEU A 129 14.741 4.527 3.177 1.00 0.00 C ATOM 1082 CG LEU A 129 15.117 4.907 4.614 1.00 0.00 C ATOM 1083 CD1 LEU A 129 16.283 5.901 4.584 1.00 0.00 C ATOM 1084 CD2 LEU A 129 13.901 5.577 5.287 1.00 0.00 C ATOM 0 H LEU A 129 14.146 2.326 3.908 1.00 0.00 H new ATOM 0 HA LEU A 129 15.446 3.412 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 129 14.969 5.375 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 129 13.662 4.376 3.136 1.00 0.00 H new ATOM 0 HG LEU A 129 15.408 4.016 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 129 16.554 6.174 5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 129 17.140 5.442 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 129 15.985 6.795 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 129 14.157 5.852 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 129 13.624 6.472 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 129 13.062 4.881 5.297 1.00 0.00 H new ATOM 1096 N HIS A 130 17.188 2.247 3.890 1.00 0.00 N ATOM 1097 CA HIS A 130 18.503 1.654 4.094 1.00 0.00 C ATOM 1098 C HIS A 130 19.006 0.998 2.790 1.00 0.00 C ATOM 1099 O HIS A 130 20.188 1.097 2.469 1.00 0.00 O ATOM 1100 CB HIS A 130 18.389 0.640 5.249 1.00 0.00 C ATOM 1101 CG HIS A 130 19.504 -0.370 5.330 1.00 0.00 C ATOM 1102 ND1 HIS A 130 20.452 -0.469 6.318 1.00 0.00 N ATOM 1103 CD2 HIS A 130 19.735 -1.371 4.428 1.00 0.00 C ATOM 1104 CE1 HIS A 130 21.244 -1.511 6.005 1.00 0.00 C ATOM 1105 NE2 HIS A 130 20.840 -2.102 4.867 1.00 0.00 N ATOM 0 H HIS A 130 16.502 1.964 4.590 1.00 0.00 H new ATOM 0 HA HIS A 130 19.236 2.416 4.359 1.00 0.00 H new ATOM 0 HB2 HIS A 130 18.349 1.189 6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 130 17.444 0.106 5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 130 19.163 -1.563 3.532 1.00 0.00 H new ATOM 0 HE1 HIS A 130 22.093 -1.831 6.591 1.00 0.00 H new ATOM 0 HE2 HIS A 130 21.256 -2.917 4.417 1.00 0.00 H new ATOM 1113 N THR A 131 18.143 0.342 2.001 1.00 0.00 N ATOM 1114 CA THR A 131 18.538 -0.384 0.784 1.00 0.00 C ATOM 1115 C THR A 131 19.173 0.545 -0.259 1.00 0.00 C ATOM 1116 O THR A 131 19.948 0.096 -1.100 1.00 0.00 O ATOM 1117 CB THR A 131 17.314 -1.135 0.241 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.832 -1.996 1.262 1.00 0.00 O ATOM 1119 CG2 THR A 131 17.500 -1.914 -1.057 1.00 0.00 C ATOM 0 H THR A 131 17.142 0.300 2.191 1.00 0.00 H new ATOM 0 HA THR A 131 19.314 -1.110 1.029 1.00 0.00 H new ATOM 0 HB THR A 131 16.598 -0.360 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 131 16.139 -1.535 1.779 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.561 -2.397 -1.329 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.801 -1.231 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 131 18.271 -2.672 -0.919 1.00 0.00 H new ATOM 1127 N TRP A 132 18.925 1.850 -0.179 1.00 0.00 N ATOM 1128 CA TRP A 132 19.574 2.823 -1.049 1.00 0.00 C ATOM 1129 C TRP A 132 21.075 2.910 -0.763 1.00 0.00 C ATOM 1130 O TRP A 132 21.866 3.133 -1.688 1.00 0.00 O ATOM 1131 CB TRP A 132 18.934 4.193 -0.848 1.00 0.00 C ATOM 1132 CG TRP A 132 17.456 4.319 -1.059 1.00 0.00 C ATOM 1133 CD1 TRP A 132 16.633 5.026 -0.257 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.599 3.773 -2.108 1.00 0.00 C ATOM 1135 NE1 TRP A 132 15.361 5.033 -0.776 1.00 0.00 N ATOM 1136 CE2 TRP A 132 15.286 4.300 -1.936 1.00 0.00 C ATOM 1137 CE3 TRP A 132 16.783 2.882 -3.184 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 14.231 4.009 -2.813 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 15.739 2.597 -4.083 1.00 0.00 C ATOM 1140 CH2 TRP A 132 14.466 3.169 -3.911 1.00 0.00 C ATOM 0 H TRP A 132 18.271 2.260 0.488 1.00 0.00 H new ATOM 0 HA TRP A 132 19.443 2.499 -2.081 1.00 0.00 H new ATOM 0 HB2 TRP A 132 19.155 4.518 0.169 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.428 4.894 -1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 132 16.931 5.515 0.659 1.00 0.00 H new ATOM 0 HE1 TRP A 132 14.571 5.521 -0.353 1.00 0.00 H new ATOM 0 HE3 TRP A 132 17.744 2.409 -3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 13.249 4.427 -2.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 15.917 1.931 -4.915 1.00 0.00 H new ATOM 0 HH2 TRP A 132 13.676 2.963 -4.618 1.00 0.00 H new ATOM 1151 N GLU A 133 21.476 2.724 0.499 1.00 0.00 N ATOM 1152 CA GLU A 133 22.869 2.620 0.902 1.00 0.00 C ATOM 1153 C GLU A 133 23.484 1.389 0.231 1.00 0.00 C ATOM 1154 O GLU A 133 24.562 1.510 -0.349 1.00 0.00 O ATOM 1155 CB GLU A 133 23.015 2.684 2.440 1.00 0.00 C ATOM 1156 CG GLU A 133 23.485 1.413 3.179 1.00 0.00 C ATOM 1157 CD GLU A 133 23.705 1.638 4.686 1.00 0.00 C ATOM 1158 OE1 GLU A 133 24.276 2.686 5.070 1.00 0.00 O ATOM 1159 OE2 GLU A 133 23.327 0.762 5.503 1.00 0.00 O ATOM 0 H GLU A 133 20.823 2.641 1.278 1.00 0.00 H new ATOM 0 HA GLU A 133 23.443 3.479 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 133 23.716 3.485 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 133 22.049 2.973 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 133 22.746 0.624 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.414 1.062 2.731 1.00 0.00 H new ATOM 1166 N GLN A 134 22.783 0.248 0.226 1.00 0.00 N ATOM 1167 CA GLN A 134 23.290 -0.995 -0.339 1.00 0.00 C ATOM 1168 C GLN A 134 23.317 -1.023 -1.872 1.00 0.00 C ATOM 1169 O GLN A 134 24.331 -1.493 -2.393 1.00 0.00 O ATOM 1170 CB GLN A 134 22.569 -2.211 0.264 1.00 0.00 C ATOM 1171 CG GLN A 134 23.268 -2.667 1.563 1.00 0.00 C ATOM 1172 CD GLN A 134 22.701 -3.967 2.132 1.00 0.00 C ATOM 1173 OE1 GLN A 134 21.799 -4.575 1.566 1.00 0.00 O ATOM 1174 NE2 GLN A 134 23.187 -4.458 3.255 1.00 0.00 N ATOM 0 H GLN A 134 21.844 0.168 0.617 1.00 0.00 H new ATOM 0 HA GLN A 134 24.340 -1.053 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 134 21.530 -1.958 0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 134 22.559 -3.029 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 134 24.332 -2.798 1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 134 23.176 -1.880 2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 134 23.938 -3.969 3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 134 22.812 -5.327 3.636 1.00 0.00 H new ATOM 1183 N MET A 135 22.292 -0.541 -2.602 1.00 0.00 N ATOM 1184 CA MET A 135 22.331 -0.557 -4.069 1.00 0.00 C ATOM 1185 C MET A 135 23.521 0.272 -4.557 1.00 0.00 C ATOM 1186 O MET A 135 24.442 -0.271 -5.165 1.00 0.00 O ATOM 1187 CB MET A 135 21.013 -0.074 -4.712 1.00 0.00 C ATOM 1188 CG MET A 135 19.793 -0.918 -4.327 1.00 0.00 C ATOM 1189 SD MET A 135 18.515 -1.123 -5.605 1.00 0.00 S ATOM 1190 CE MET A 135 18.149 0.584 -6.098 1.00 0.00 C ATOM 0 H MET A 135 21.442 -0.143 -2.203 1.00 0.00 H new ATOM 0 HA MET A 135 22.454 -1.593 -4.385 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.835 0.961 -4.420 1.00 0.00 H new ATOM 0 HB3 MET A 135 21.123 -0.084 -5.796 1.00 0.00 H new ATOM 0 HG2 MET A 135 20.142 -1.907 -4.031 1.00 0.00 H new ATOM 0 HG3 MET A 135 19.329 -0.468 -3.449 1.00 0.00 H new ATOM 0 HE1 MET A 135 17.146 0.633 -6.521 1.00 0.00 H new ATOM 0 HE2 MET A 135 18.207 1.235 -5.226 1.00 0.00 H new ATOM 0 HE3 MET A 135 18.874 0.911 -6.844 1.00 0.00 H new ATOM 1200 N GLY A 136 23.538 1.569 -4.242 1.00 0.00 N ATOM 1201 CA GLY A 136 24.556 2.490 -4.744 1.00 0.00 C ATOM 1202 C GLY A 136 24.064 3.925 -4.924 1.00 0.00 C ATOM 1203 O GLY A 136 24.821 4.761 -5.423 1.00 0.00 O ATOM 0 H GLY A 136 22.847 2.008 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 136 25.401 2.491 -4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.925 2.121 -5.701 1.00 0.00 H new ATOM 1207 N LEU A 137 22.832 4.235 -4.511 1.00 0.00 N ATOM 1208 CA LEU A 137 22.108 5.482 -4.770 1.00 0.00 C ATOM 1209 C LEU A 137 21.599 6.218 -3.529 1.00 0.00 C ATOM 1210 O LEU A 137 20.434 6.587 -3.387 1.00 0.00 O ATOM 1211 CB LEU A 137 21.279 5.516 -6.081 1.00 0.00 C ATOM 1212 CG LEU A 137 20.348 4.337 -6.370 1.00 0.00 C ATOM 1213 CD1 LEU A 137 21.059 3.142 -7.014 1.00 0.00 C ATOM 1214 CD2 LEU A 137 19.762 3.972 -5.027 1.00 0.00 C ATOM 0 H LEU A 137 22.281 3.583 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 137 22.875 6.198 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 137 20.676 6.424 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 137 21.975 5.604 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 137 19.588 4.615 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 137 20.339 2.343 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 137 21.501 3.449 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 137 21.843 2.783 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 137 19.079 3.131 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 137 20.564 3.695 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.219 4.826 -4.623 1.00 0.00 H new ATOM 1226 N ARG A 138 22.530 6.538 -2.625 1.00 0.00 N ATOM 1227 CA ARG A 138 22.227 7.282 -1.404 1.00 0.00 C ATOM 1228 C ARG A 138 21.620 8.673 -1.605 1.00 0.00 C ATOM 1229 O ARG A 138 21.104 9.203 -0.629 1.00 0.00 O ATOM 1230 CB ARG A 138 23.431 7.330 -0.456 1.00 0.00 C ATOM 1231 CG ARG A 138 24.475 8.437 -0.663 1.00 0.00 C ATOM 1232 CD ARG A 138 25.380 8.160 -1.857 1.00 0.00 C ATOM 1233 NE ARG A 138 26.355 9.238 -2.041 1.00 0.00 N ATOM 1234 CZ ARG A 138 27.423 9.190 -2.836 1.00 0.00 C ATOM 1235 NH1 ARG A 138 27.757 8.056 -3.450 1.00 0.00 N ATOM 1236 NH2 ARG A 138 28.154 10.286 -3.004 1.00 0.00 N ATOM 0 H ARG A 138 23.514 6.287 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 138 21.429 6.705 -0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 138 23.050 7.418 0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 138 23.945 6.371 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 138 23.967 9.390 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 138 25.083 8.533 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 138 25.902 7.214 -1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 138 24.776 8.054 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 138 26.203 10.099 -1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 138 27.194 7.217 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 138 28.576 8.027 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 138 27.895 11.150 -2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 138 28.974 10.264 -3.610 1.00 0.00 H new ATOM 1250 N SER A 139 21.605 9.235 -2.816 1.00 0.00 N ATOM 1251 CA SER A 139 20.775 10.390 -3.153 1.00 0.00 C ATOM 1252 C SER A 139 19.340 10.167 -2.648 1.00 0.00 C ATOM 1253 O SER A 139 18.762 11.041 -1.990 1.00 0.00 O ATOM 1254 CB SER A 139 20.839 10.558 -4.676 1.00 0.00 C ATOM 1255 OG SER A 139 20.030 11.602 -5.178 1.00 0.00 O ATOM 0 H SER A 139 22.172 8.898 -3.594 1.00 0.00 H new ATOM 0 HA SER A 139 21.132 11.301 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 139 21.873 10.743 -4.967 1.00 0.00 H new ATOM 0 HB3 SER A 139 20.538 9.622 -5.147 1.00 0.00 H new ATOM 0 HG SER A 139 20.124 11.649 -6.152 1.00 0.00 H new ATOM 1261 N LEU A 140 18.795 8.971 -2.911 1.00 0.00 N ATOM 1262 CA LEU A 140 17.454 8.574 -2.506 1.00 0.00 C ATOM 1263 C LEU A 140 17.374 8.465 -0.981 1.00 0.00 C ATOM 1264 O LEU A 140 16.391 8.911 -0.401 1.00 0.00 O ATOM 1265 CB LEU A 140 17.059 7.231 -3.145 1.00 0.00 C ATOM 1266 CG LEU A 140 17.207 7.098 -4.674 1.00 0.00 C ATOM 1267 CD1 LEU A 140 16.787 5.707 -5.110 1.00 0.00 C ATOM 1268 CD2 LEU A 140 16.379 8.101 -5.486 1.00 0.00 C ATOM 0 H LEU A 140 19.292 8.242 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 140 16.757 9.338 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 140 17.658 6.448 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 140 16.019 7.030 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 140 18.259 7.301 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 140 16.893 5.617 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 140 17.419 4.966 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.747 5.537 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 140 16.546 7.933 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 140 15.321 7.968 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 140 16.681 9.116 -5.227 1.00 0.00 H new ATOM 1280 N CYS A 141 18.406 7.906 -0.330 1.00 0.00 N ATOM 1281 CA CYS A 141 18.497 7.793 1.129 1.00 0.00 C ATOM 1282 C CYS A 141 18.412 9.170 1.767 1.00 0.00 C ATOM 1283 O CYS A 141 17.640 9.366 2.701 1.00 0.00 O ATOM 1284 CB CYS A 141 19.805 7.101 1.549 1.00 0.00 C ATOM 1285 SG CYS A 141 19.717 6.610 3.291 1.00 0.00 S ATOM 0 H CYS A 141 19.214 7.514 -0.814 1.00 0.00 H new ATOM 0 HA CYS A 141 17.661 7.184 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 141 19.979 6.225 0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 141 20.648 7.775 1.395 1.00 0.00 H new ATOM 0 HG CYS A 141 20.826 6.025 3.634 1.00 0.00 H new ATOM 1291 N ALA A 142 19.210 10.111 1.270 1.00 0.00 N ATOM 1292 CA ALA A 142 19.289 11.451 1.805 1.00 0.00 C ATOM 1293 C ALA A 142 17.920 12.124 1.677 1.00 0.00 C ATOM 1294 O ALA A 142 17.358 12.486 2.704 1.00 0.00 O ATOM 1295 CB ALA A 142 20.438 12.191 1.120 1.00 0.00 C ATOM 0 H ALA A 142 19.826 9.953 0.472 1.00 0.00 H new ATOM 0 HA ALA A 142 19.522 11.455 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.506 13.204 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.373 11.664 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.255 12.234 0.046 1.00 0.00 H new ATOM 1301 N GLN A 143 17.324 12.208 0.477 1.00 0.00 N ATOM 1302 CA GLN A 143 15.970 12.767 0.344 1.00 0.00 C ATOM 1303 C GLN A 143 14.895 11.938 1.073 1.00 0.00 C ATOM 1304 O GLN A 143 13.766 12.407 1.203 1.00 0.00 O ATOM 1305 CB GLN A 143 15.581 12.916 -1.135 1.00 0.00 C ATOM 1306 CG GLN A 143 16.218 14.143 -1.805 1.00 0.00 C ATOM 1307 CD GLN A 143 15.683 14.405 -3.216 1.00 0.00 C ATOM 1308 OE1 GLN A 143 15.252 15.502 -3.560 1.00 0.00 O ATOM 1309 NE2 GLN A 143 15.675 13.414 -4.084 1.00 0.00 N ATOM 0 H GLN A 143 17.748 11.903 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 143 16.006 13.747 0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 143 15.880 12.018 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 143 14.496 12.989 -1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 143 16.037 15.022 -1.186 1.00 0.00 H new ATOM 0 HG3 GLN A 143 17.298 14.003 -1.853 1.00 0.00 H new ATOM 0 HE21 GLN A 143 16.030 12.497 -3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 143 15.314 13.564 -5.026 1.00 0.00 H new ATOM 1318 N ALA A 144 15.181 10.715 1.531 1.00 0.00 N ATOM 1319 CA ALA A 144 14.302 9.917 2.386 1.00 0.00 C ATOM 1320 C ALA A 144 14.579 10.117 3.892 1.00 0.00 C ATOM 1321 O ALA A 144 13.860 9.525 4.697 1.00 0.00 O ATOM 1322 CB ALA A 144 14.395 8.440 1.988 1.00 0.00 C ATOM 0 H ALA A 144 16.057 10.241 1.309 1.00 0.00 H new ATOM 0 HA ALA A 144 13.282 10.267 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 144 13.739 7.849 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.090 8.323 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 144 15.422 8.096 2.105 1.00 0.00 H new ATOM 1328 N GLN A 145 15.572 10.924 4.283 1.00 0.00 N ATOM 1329 CA GLN A 145 15.960 11.181 5.670 1.00 0.00 C ATOM 1330 C GLN A 145 16.237 12.675 5.882 1.00 0.00 C ATOM 1331 O GLN A 145 16.736 13.073 6.931 1.00 0.00 O ATOM 1332 CB GLN A 145 17.134 10.280 6.107 1.00 0.00 C ATOM 1333 CG GLN A 145 16.655 8.910 6.599 1.00 0.00 C ATOM 1334 CD GLN A 145 17.801 8.119 7.233 1.00 0.00 C ATOM 1335 OE1 GLN A 145 17.922 8.033 8.452 1.00 0.00 O ATOM 1336 NE2 GLN A 145 18.690 7.556 6.434 1.00 0.00 N ATOM 0 H GLN A 145 16.148 11.435 3.614 1.00 0.00 H new ATOM 0 HA GLN A 145 15.126 10.917 6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 145 17.819 10.145 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 145 17.694 10.774 6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 145 15.854 9.041 7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.238 8.346 5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 145 18.585 7.630 5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 145 19.481 7.047 6.829 1.00 0.00 H new