USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 124 SER OG : rot 132:sc= 0.855 USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 116:sc= 0.674 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.603 K(o=-0.6,f=-1.6!) USER MOD Single : A 113 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 9:sc= -0.166! USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 136 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.57) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 86 -7.801 6.146 -9.551 1.00 0.00 N ATOM 31 CA LEU A 86 -6.462 6.779 -9.717 1.00 0.00 C ATOM 32 C LEU A 86 -6.031 7.417 -8.397 1.00 0.00 C ATOM 33 O LEU A 86 -6.304 8.572 -8.134 1.00 0.00 O ATOM 34 CB LEU A 86 -6.538 7.856 -10.803 1.00 0.00 C ATOM 35 CG LEU A 86 -6.157 7.250 -12.155 1.00 0.00 C ATOM 36 CD1 LEU A 86 -4.780 6.591 -12.052 1.00 0.00 C ATOM 37 CD2 LEU A 86 -7.196 6.198 -12.552 1.00 0.00 C ATOM 0 HA LEU A 86 -5.736 6.020 -10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.546 8.269 -10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.867 8.680 -10.560 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.127 8.037 -12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.510 6.160 -13.016 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.039 7.339 -11.769 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.809 5.804 -11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.926 5.765 -13.515 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.225 5.413 -11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.177 6.666 -12.627 1.00 0.00 H new ATOM 49 N PHE A 87 -5.356 6.675 -7.562 1.00 0.00 N ATOM 50 CA PHE A 87 -4.904 7.240 -6.260 1.00 0.00 C ATOM 51 C PHE A 87 -3.483 7.786 -6.413 1.00 0.00 C ATOM 52 O PHE A 87 -2.840 7.595 -7.425 1.00 0.00 O ATOM 53 CB PHE A 87 -4.915 6.144 -5.192 1.00 0.00 C ATOM 54 CG PHE A 87 -6.338 5.872 -4.763 1.00 0.00 C ATOM 55 CD1 PHE A 87 -7.312 5.562 -5.720 1.00 0.00 C ATOM 56 CD2 PHE A 87 -6.681 5.929 -3.408 1.00 0.00 C ATOM 57 CE1 PHE A 87 -8.630 5.310 -5.320 1.00 0.00 C ATOM 58 CE2 PHE A 87 -7.998 5.678 -3.009 1.00 0.00 C ATOM 59 CZ PHE A 87 -8.972 5.368 -3.964 1.00 0.00 C ATOM 0 H PHE A 87 -5.098 5.702 -7.726 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.576 8.044 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.462 5.234 -5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.318 6.452 -4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.047 5.517 -6.766 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.929 6.167 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.382 5.071 -6.057 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.263 5.724 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.988 5.173 -3.655 1.00 0.00 H new ATOM 69 N VAL A 88 -2.987 8.462 -5.414 1.00 0.00 N ATOM 70 CA VAL A 88 -1.606 9.017 -5.504 1.00 0.00 C ATOM 71 C VAL A 88 -0.852 8.700 -4.214 1.00 0.00 C ATOM 72 O VAL A 88 -1.426 8.660 -3.144 1.00 0.00 O ATOM 73 CB VAL A 88 -1.663 10.537 -5.699 1.00 0.00 C ATOM 74 CG1 VAL A 88 -0.522 10.973 -6.618 1.00 0.00 C ATOM 75 CG2 VAL A 88 -3.001 10.935 -6.331 1.00 0.00 C ATOM 0 H VAL A 88 -3.477 8.654 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.093 8.567 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.565 11.025 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.560 12.053 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.432 10.699 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.623 10.478 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.032 12.016 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.106 10.445 -7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.818 10.627 -5.678 1.00 0.00 H new ATOM 85 N ALA A 89 0.429 8.476 -4.302 1.00 0.00 N ATOM 86 CA ALA A 89 1.214 8.162 -3.075 1.00 0.00 C ATOM 87 C ALA A 89 1.459 9.449 -2.285 1.00 0.00 C ATOM 88 O ALA A 89 2.278 10.268 -2.651 1.00 0.00 O ATOM 89 CB ALA A 89 2.555 7.534 -3.468 1.00 0.00 C ATOM 0 H ALA A 89 0.966 8.497 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 89 0.656 7.458 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.127 7.305 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.377 6.616 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.117 8.233 -4.087 1.00 0.00 H new ATOM 95 N LEU A 90 0.751 9.634 -1.204 1.00 0.00 N ATOM 96 CA LEU A 90 0.938 10.868 -0.391 1.00 0.00 C ATOM 97 C LEU A 90 2.383 10.943 0.103 1.00 0.00 C ATOM 98 O LEU A 90 2.886 12.001 0.426 1.00 0.00 O ATOM 99 CB LEU A 90 -0.006 10.833 0.812 1.00 0.00 C ATOM 100 CG LEU A 90 -1.424 10.503 0.344 1.00 0.00 C ATOM 101 CD1 LEU A 90 -2.056 9.488 1.298 1.00 0.00 C ATOM 102 CD2 LEU A 90 -2.266 11.780 0.330 1.00 0.00 C ATOM 0 H LEU A 90 0.051 8.983 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 90 0.718 11.741 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.333 10.087 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.004 11.796 1.323 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.384 10.081 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.066 9.254 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.457 8.577 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.095 9.909 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.277 11.546 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.304 12.202 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.818 12.504 -0.351 1.00 0.00 H new ATOM 114 N TYR A 91 3.054 9.827 0.169 1.00 0.00 N ATOM 115 CA TYR A 91 4.465 9.835 0.647 1.00 0.00 C ATOM 116 C TYR A 91 5.289 8.839 -0.170 1.00 0.00 C ATOM 117 O TYR A 91 4.753 7.997 -0.864 1.00 0.00 O ATOM 118 CB TYR A 91 4.503 9.432 2.123 1.00 0.00 C ATOM 119 CG TYR A 91 3.416 10.163 2.875 1.00 0.00 C ATOM 120 CD1 TYR A 91 3.411 11.562 2.911 1.00 0.00 C ATOM 121 CD2 TYR A 91 2.416 9.441 3.536 1.00 0.00 C ATOM 122 CE1 TYR A 91 2.404 12.240 3.609 1.00 0.00 C ATOM 123 CE2 TYR A 91 1.409 10.119 4.235 1.00 0.00 C ATOM 124 CZ TYR A 91 1.404 11.519 4.271 1.00 0.00 C ATOM 125 OH TYR A 91 0.412 12.188 4.960 1.00 0.00 O ATOM 0 H TYR A 91 2.687 8.910 -0.087 1.00 0.00 H new ATOM 0 HA TYR A 91 4.882 10.835 0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.366 8.355 2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.477 9.669 2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.183 12.118 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.421 8.361 3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.399 13.320 3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.637 9.563 4.746 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.203 11.539 5.361 1.00 0.00 H new ATOM 135 N ASP A 92 6.588 8.923 -0.089 1.00 0.00 N ATOM 136 CA ASP A 92 7.445 7.976 -0.855 1.00 0.00 C ATOM 137 C ASP A 92 7.326 6.582 -0.236 1.00 0.00 C ATOM 138 O ASP A 92 6.578 6.373 0.699 1.00 0.00 O ATOM 139 CB ASP A 92 8.900 8.442 -0.797 1.00 0.00 C ATOM 140 CG ASP A 92 9.452 8.215 0.611 1.00 0.00 C ATOM 141 OD1 ASP A 92 8.659 8.165 1.537 1.00 0.00 O ATOM 142 OD2 ASP A 92 10.660 8.093 0.741 1.00 0.00 O ATOM 0 H ASP A 92 7.093 9.607 0.475 1.00 0.00 H new ATOM 0 HA ASP A 92 7.121 7.944 -1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.498 7.895 -1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.966 9.498 -1.059 1.00 0.00 H new ATOM 147 N TYR A 93 8.055 5.626 -0.743 1.00 0.00 N ATOM 148 CA TYR A 93 7.971 4.253 -0.171 1.00 0.00 C ATOM 149 C TYR A 93 9.129 3.403 -0.696 1.00 0.00 C ATOM 150 O TYR A 93 9.296 3.229 -1.887 1.00 0.00 O ATOM 151 CB TYR A 93 6.644 3.612 -0.582 1.00 0.00 C ATOM 152 CG TYR A 93 6.573 2.202 -0.046 1.00 0.00 C ATOM 153 CD1 TYR A 93 7.243 1.866 1.137 1.00 0.00 C ATOM 154 CD2 TYR A 93 5.836 1.229 -0.732 1.00 0.00 C ATOM 155 CE1 TYR A 93 7.176 0.558 1.633 1.00 0.00 C ATOM 156 CE2 TYR A 93 5.769 -0.078 -0.236 1.00 0.00 C ATOM 157 CZ TYR A 93 6.439 -0.414 0.946 1.00 0.00 C ATOM 158 OH TYR A 93 6.372 -1.703 1.435 1.00 0.00 O ATOM 0 H TYR A 93 8.702 5.735 -1.524 1.00 0.00 H new ATOM 0 HA TYR A 93 8.030 4.311 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.810 4.200 -0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.554 3.604 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.812 2.616 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.319 1.487 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.693 0.299 2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.200 -0.828 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 93 5.446 -1.912 1.679 1.00 0.00 H new ATOM 168 N GLU A 94 9.929 2.868 0.185 1.00 0.00 N ATOM 169 CA GLU A 94 11.073 2.025 -0.261 1.00 0.00 C ATOM 170 C GLU A 94 10.712 0.550 -0.079 1.00 0.00 C ATOM 171 O GLU A 94 11.054 -0.065 0.912 1.00 0.00 O ATOM 172 CB GLU A 94 12.310 2.358 0.574 1.00 0.00 C ATOM 173 CG GLU A 94 13.230 3.284 -0.222 1.00 0.00 C ATOM 174 CD GLU A 94 14.670 3.121 0.266 1.00 0.00 C ATOM 175 OE1 GLU A 94 15.042 2.005 0.587 1.00 0.00 O ATOM 176 OE2 GLU A 94 15.376 4.115 0.310 1.00 0.00 O ATOM 0 H GLU A 94 9.839 2.979 1.195 1.00 0.00 H new ATOM 0 HA GLU A 94 11.286 2.222 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.014 2.837 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.839 1.443 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.167 3.050 -1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.911 4.319 -0.104 1.00 0.00 H new ATOM 183 N ALA A 95 10.019 -0.019 -1.028 1.00 0.00 N ATOM 184 CA ALA A 95 9.627 -1.454 -0.916 1.00 0.00 C ATOM 185 C ALA A 95 10.800 -2.269 -0.368 1.00 0.00 C ATOM 186 O ALA A 95 11.747 -2.563 -1.070 1.00 0.00 O ATOM 187 CB ALA A 95 9.242 -1.983 -2.300 1.00 0.00 C ATOM 0 H ALA A 95 9.706 0.449 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 95 8.778 -1.545 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.955 -3.032 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.404 -1.405 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.093 -1.889 -2.975 1.00 0.00 H new ATOM 193 N ARG A 96 10.744 -2.636 0.883 1.00 0.00 N ATOM 194 CA ARG A 96 11.855 -3.433 1.475 1.00 0.00 C ATOM 195 C ARG A 96 11.779 -4.872 0.961 1.00 0.00 C ATOM 196 O ARG A 96 12.708 -5.643 1.104 1.00 0.00 O ATOM 197 CB ARG A 96 11.730 -3.429 3.001 1.00 0.00 C ATOM 198 CG ARG A 96 10.446 -4.151 3.411 1.00 0.00 C ATOM 199 CD ARG A 96 10.186 -3.926 4.902 1.00 0.00 C ATOM 200 NE ARG A 96 8.733 -3.675 5.123 1.00 0.00 N ATOM 201 CZ ARG A 96 8.089 -4.340 6.042 1.00 0.00 C ATOM 202 NH1 ARG A 96 7.901 -5.624 5.910 1.00 0.00 N ATOM 203 NH2 ARG A 96 7.634 -3.719 7.097 1.00 0.00 N ATOM 0 H ARG A 96 9.978 -2.419 1.520 1.00 0.00 H new ATOM 0 HA ARG A 96 12.810 -2.994 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.594 -3.920 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.718 -2.404 3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.605 -3.781 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.534 -5.217 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.506 -4.798 5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.771 -3.078 5.260 1.00 0.00 H new ATOM 0 HE ARG A 96 8.243 -2.983 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.258 -6.110 5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.397 -6.142 6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.782 -2.715 7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.130 -4.238 7.816 1.00 0.00 H new ATOM 217 N THR A 97 10.679 -5.240 0.362 1.00 0.00 N ATOM 218 CA THR A 97 10.546 -6.629 -0.162 1.00 0.00 C ATOM 219 C THR A 97 10.081 -6.581 -1.619 1.00 0.00 C ATOM 220 O THR A 97 9.664 -5.553 -2.113 1.00 0.00 O ATOM 221 CB THR A 97 9.520 -7.396 0.677 1.00 0.00 C ATOM 222 OG1 THR A 97 9.268 -8.657 0.074 1.00 0.00 O ATOM 223 CG2 THR A 97 8.220 -6.595 0.753 1.00 0.00 C ATOM 0 H THR A 97 9.868 -4.640 0.213 1.00 0.00 H new ATOM 0 HA THR A 97 11.511 -7.133 -0.105 1.00 0.00 H new ATOM 0 HB THR A 97 9.910 -7.545 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.613 -9.151 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.490 -7.142 1.350 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.415 -5.627 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.826 -6.444 -0.252 1.00 0.00 H new ATOM 231 N GLU A 98 10.150 -7.685 -2.309 1.00 0.00 N ATOM 232 CA GLU A 98 9.713 -7.703 -3.734 1.00 0.00 C ATOM 233 C GLU A 98 8.191 -7.846 -3.803 1.00 0.00 C ATOM 234 O GLU A 98 7.590 -7.677 -4.846 1.00 0.00 O ATOM 235 CB GLU A 98 10.369 -8.884 -4.452 1.00 0.00 C ATOM 236 CG GLU A 98 9.997 -10.185 -3.739 1.00 0.00 C ATOM 237 CD GLU A 98 11.241 -11.063 -3.594 1.00 0.00 C ATOM 238 OE1 GLU A 98 12.251 -10.554 -3.136 1.00 0.00 O ATOM 239 OE2 GLU A 98 11.163 -12.229 -3.942 1.00 0.00 O ATOM 0 H GLU A 98 10.490 -8.576 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 98 10.011 -6.772 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.041 -8.920 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.452 -8.760 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.577 -9.966 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.229 -10.714 -4.303 1.00 0.00 H new ATOM 246 N ASP A 99 7.562 -8.157 -2.702 1.00 0.00 N ATOM 247 CA ASP A 99 6.080 -8.311 -2.710 1.00 0.00 C ATOM 248 C ASP A 99 5.425 -6.948 -2.939 1.00 0.00 C ATOM 249 O ASP A 99 4.580 -6.790 -3.799 1.00 0.00 O ATOM 250 CB ASP A 99 5.620 -8.880 -1.365 1.00 0.00 C ATOM 251 CG ASP A 99 5.502 -10.401 -1.467 1.00 0.00 C ATOM 252 OD1 ASP A 99 6.531 -11.050 -1.565 1.00 0.00 O ATOM 253 OD2 ASP A 99 4.385 -10.891 -1.445 1.00 0.00 O ATOM 0 H ASP A 99 8.010 -8.311 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 99 5.790 -8.991 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.330 -8.612 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.659 -8.448 -1.085 1.00 0.00 H new ATOM 258 N ASP A 100 5.807 -5.960 -2.178 1.00 0.00 N ATOM 259 CA ASP A 100 5.208 -4.608 -2.352 1.00 0.00 C ATOM 260 C ASP A 100 5.911 -3.880 -3.500 1.00 0.00 C ATOM 261 O ASP A 100 6.615 -4.480 -4.288 1.00 0.00 O ATOM 262 CB ASP A 100 5.375 -3.807 -1.059 1.00 0.00 C ATOM 263 CG ASP A 100 4.989 -4.683 0.136 1.00 0.00 C ATOM 264 OD1 ASP A 100 3.846 -5.106 0.190 1.00 0.00 O ATOM 265 OD2 ASP A 100 5.844 -4.915 0.974 1.00 0.00 O ATOM 0 H ASP A 100 6.509 -6.031 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 100 4.147 -4.708 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.406 -3.469 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.749 -2.915 -1.087 1.00 0.00 H new ATOM 270 N LEU A 101 5.725 -2.592 -3.604 1.00 0.00 N ATOM 271 CA LEU A 101 6.381 -1.831 -4.705 1.00 0.00 C ATOM 272 C LEU A 101 7.174 -0.659 -4.121 1.00 0.00 C ATOM 273 O LEU A 101 7.219 -0.462 -2.923 1.00 0.00 O ATOM 274 CB LEU A 101 5.312 -1.297 -5.659 1.00 0.00 C ATOM 275 CG LEU A 101 4.417 -2.450 -6.112 1.00 0.00 C ATOM 276 CD1 LEU A 101 2.955 -2.004 -6.089 1.00 0.00 C ATOM 277 CD2 LEU A 101 4.800 -2.866 -7.534 1.00 0.00 C ATOM 0 H LEU A 101 5.148 -2.034 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 101 7.059 -2.491 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.715 -0.532 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.782 -0.825 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 101 4.549 -3.296 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.318 -2.827 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.680 -1.709 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.822 -1.157 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.162 -3.688 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.670 -2.019 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.842 -3.187 -7.551 1.00 0.00 H new ATOM 289 N SER A 102 7.797 0.122 -4.961 1.00 0.00 N ATOM 290 CA SER A 102 8.586 1.282 -4.460 1.00 0.00 C ATOM 291 C SER A 102 8.323 2.496 -5.353 1.00 0.00 C ATOM 292 O SER A 102 8.198 2.376 -6.555 1.00 0.00 O ATOM 293 CB SER A 102 10.074 0.937 -4.494 1.00 0.00 C ATOM 294 OG SER A 102 10.340 0.119 -5.626 1.00 0.00 O ATOM 0 H SER A 102 7.793 0.006 -5.974 1.00 0.00 H new ATOM 0 HA SER A 102 8.290 1.511 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.670 1.849 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.360 0.417 -3.580 1.00 0.00 H new ATOM 0 HG SER A 102 11.294 -0.103 -5.652 1.00 0.00 H new ATOM 300 N PHE A 103 8.239 3.664 -4.778 1.00 0.00 N ATOM 301 CA PHE A 103 7.986 4.879 -5.601 1.00 0.00 C ATOM 302 C PHE A 103 8.247 6.133 -4.764 1.00 0.00 C ATOM 303 O PHE A 103 8.775 6.063 -3.671 1.00 0.00 O ATOM 304 CB PHE A 103 6.532 4.877 -6.079 1.00 0.00 C ATOM 305 CG PHE A 103 5.625 4.446 -4.951 1.00 0.00 C ATOM 306 CD1 PHE A 103 5.365 3.086 -4.739 1.00 0.00 C ATOM 307 CD2 PHE A 103 5.044 5.408 -4.117 1.00 0.00 C ATOM 308 CE1 PHE A 103 4.521 2.691 -3.694 1.00 0.00 C ATOM 309 CE2 PHE A 103 4.202 5.011 -3.071 1.00 0.00 C ATOM 310 CZ PHE A 103 3.940 3.654 -2.860 1.00 0.00 C ATOM 0 H PHE A 103 8.334 3.829 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 103 8.653 4.876 -6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.251 5.872 -6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.419 4.202 -6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.815 2.343 -5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.245 6.457 -4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.318 1.643 -3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.755 5.754 -2.427 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.290 3.349 -2.054 1.00 0.00 H new ATOM 320 N HIS A 104 7.882 7.280 -5.269 1.00 0.00 N ATOM 321 CA HIS A 104 8.109 8.538 -4.504 1.00 0.00 C ATOM 322 C HIS A 104 6.789 9.298 -4.367 1.00 0.00 C ATOM 323 O HIS A 104 5.956 9.279 -5.251 1.00 0.00 O ATOM 324 CB HIS A 104 9.124 9.409 -5.248 1.00 0.00 C ATOM 325 CG HIS A 104 10.511 9.096 -4.757 1.00 0.00 C ATOM 326 ND1 HIS A 104 11.063 7.828 -4.855 1.00 0.00 N ATOM 327 CD2 HIS A 104 11.471 9.877 -4.163 1.00 0.00 C ATOM 328 CE1 HIS A 104 12.300 7.883 -4.331 1.00 0.00 C ATOM 329 NE2 HIS A 104 12.601 9.109 -3.894 1.00 0.00 N ATOM 0 H HIS A 104 7.436 7.400 -6.179 1.00 0.00 H new ATOM 0 HA HIS A 104 8.493 8.297 -3.513 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.057 9.228 -6.321 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.900 10.464 -5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.366 10.928 -3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.970 7.038 -4.271 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.470 9.416 -3.458 1.00 0.00 H new ATOM 337 N LYS A 105 6.591 9.966 -3.263 1.00 0.00 N ATOM 338 CA LYS A 105 5.323 10.726 -3.067 1.00 0.00 C ATOM 339 C LYS A 105 4.999 11.518 -4.335 1.00 0.00 C ATOM 340 O LYS A 105 5.722 12.414 -4.722 1.00 0.00 O ATOM 341 CB LYS A 105 5.487 11.692 -1.891 1.00 0.00 C ATOM 342 CG LYS A 105 6.490 12.786 -2.261 1.00 0.00 C ATOM 343 CD LYS A 105 7.132 13.341 -0.989 1.00 0.00 C ATOM 344 CE LYS A 105 8.117 14.453 -1.355 1.00 0.00 C ATOM 345 NZ LYS A 105 8.891 14.850 -0.144 1.00 0.00 N ATOM 0 H LYS A 105 7.252 10.018 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 105 4.511 10.030 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.525 12.137 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.832 11.152 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.257 12.382 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.988 13.585 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.363 13.728 -0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.649 12.545 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.795 14.110 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.579 15.313 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.561 15.606 -0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.237 15.193 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.415 14.028 0.218 1.00 0.00 H new ATOM 359 N GLY A 106 3.913 11.195 -4.985 1.00 0.00 N ATOM 360 CA GLY A 106 3.541 11.931 -6.227 1.00 0.00 C ATOM 361 C GLY A 106 3.303 10.935 -7.364 1.00 0.00 C ATOM 362 O GLY A 106 2.888 11.301 -8.445 1.00 0.00 O ATOM 0 H GLY A 106 3.268 10.454 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.642 12.523 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.334 12.627 -6.500 1.00 0.00 H new ATOM 366 N GLU A 107 3.562 9.676 -7.130 1.00 0.00 N ATOM 367 CA GLU A 107 3.351 8.661 -8.201 1.00 0.00 C ATOM 368 C GLU A 107 1.889 8.202 -8.192 1.00 0.00 C ATOM 369 O GLU A 107 1.315 7.951 -7.152 1.00 0.00 O ATOM 370 CB GLU A 107 4.262 7.458 -7.949 1.00 0.00 C ATOM 371 CG GLU A 107 5.394 7.450 -8.979 1.00 0.00 C ATOM 372 CD GLU A 107 5.970 6.038 -9.091 1.00 0.00 C ATOM 373 OE1 GLU A 107 5.406 5.139 -8.489 1.00 0.00 O ATOM 374 OE2 GLU A 107 6.968 5.879 -9.777 1.00 0.00 O ATOM 0 H GLU A 107 3.910 9.308 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 107 3.587 9.102 -9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.674 7.505 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.688 6.534 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.021 7.780 -9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.175 8.151 -8.683 1.00 0.00 H new ATOM 381 N LYS A 108 1.288 8.088 -9.344 1.00 0.00 N ATOM 382 CA LYS A 108 -0.134 7.643 -9.401 1.00 0.00 C ATOM 383 C LYS A 108 -0.189 6.115 -9.335 1.00 0.00 C ATOM 384 O LYS A 108 0.784 5.437 -9.600 1.00 0.00 O ATOM 385 CB LYS A 108 -0.768 8.120 -10.709 1.00 0.00 C ATOM 386 CG LYS A 108 -0.373 9.575 -10.968 1.00 0.00 C ATOM 387 CD LYS A 108 -1.075 10.485 -9.959 1.00 0.00 C ATOM 388 CE LYS A 108 -1.766 11.633 -10.699 1.00 0.00 C ATOM 389 NZ LYS A 108 -3.092 11.175 -11.200 1.00 0.00 N ATOM 0 H LYS A 108 1.719 8.283 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.682 8.066 -8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.439 7.490 -11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.853 8.031 -10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.708 9.689 -10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.647 9.861 -11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.807 9.915 -9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.352 10.881 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.892 12.486 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.147 11.968 -11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.561 11.955 -11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.960 10.374 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.682 10.876 -10.397 1.00 0.00 H new ATOM 403 N PHE A 109 -1.319 5.566 -8.982 1.00 0.00 N ATOM 404 CA PHE A 109 -1.434 4.082 -8.899 1.00 0.00 C ATOM 405 C PHE A 109 -2.865 3.660 -9.241 1.00 0.00 C ATOM 406 O PHE A 109 -3.802 4.413 -9.063 1.00 0.00 O ATOM 407 CB PHE A 109 -1.097 3.622 -7.479 1.00 0.00 C ATOM 408 CG PHE A 109 0.398 3.661 -7.272 1.00 0.00 C ATOM 409 CD1 PHE A 109 1.237 2.872 -8.068 1.00 0.00 C ATOM 410 CD2 PHE A 109 0.945 4.485 -6.281 1.00 0.00 C ATOM 411 CE1 PHE A 109 2.623 2.906 -7.872 1.00 0.00 C ATOM 412 CE2 PHE A 109 2.331 4.521 -6.086 1.00 0.00 C ATOM 413 CZ PHE A 109 3.170 3.730 -6.881 1.00 0.00 C ATOM 0 H PHE A 109 -2.168 6.081 -8.747 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.740 3.626 -9.605 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.591 4.265 -6.751 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.470 2.611 -7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.815 2.237 -8.833 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.298 5.093 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.270 2.297 -8.485 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.753 5.158 -5.323 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.239 3.756 -6.730 1.00 0.00 H new ATOM 423 N GLN A 110 -3.041 2.462 -9.725 1.00 0.00 N ATOM 424 CA GLN A 110 -4.412 1.993 -10.072 1.00 0.00 C ATOM 425 C GLN A 110 -4.831 0.891 -9.096 1.00 0.00 C ATOM 426 O GLN A 110 -4.562 -0.274 -9.307 1.00 0.00 O ATOM 427 CB GLN A 110 -4.419 1.441 -11.500 1.00 0.00 C ATOM 428 CG GLN A 110 -4.248 2.593 -12.494 1.00 0.00 C ATOM 429 CD GLN A 110 -5.335 2.506 -13.568 1.00 0.00 C ATOM 430 OE1 GLN A 110 -5.844 1.440 -13.848 1.00 0.00 O ATOM 431 NE2 GLN A 110 -5.713 3.591 -14.186 1.00 0.00 N ATOM 0 H GLN A 110 -2.295 1.787 -9.895 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.111 2.827 -10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.614 0.716 -11.625 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.354 0.915 -11.693 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.312 3.549 -11.974 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.262 2.546 -12.955 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -5.286 4.487 -13.951 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.436 3.543 -14.904 1.00 0.00 H new ATOM 440 N ILE A 111 -5.485 1.252 -8.026 1.00 0.00 N ATOM 441 CA ILE A 111 -5.918 0.228 -7.033 1.00 0.00 C ATOM 442 C ILE A 111 -6.846 -0.784 -7.707 1.00 0.00 C ATOM 443 O ILE A 111 -7.820 -0.425 -8.339 1.00 0.00 O ATOM 444 CB ILE A 111 -6.661 0.913 -5.885 1.00 0.00 C ATOM 445 CG1 ILE A 111 -5.791 2.034 -5.312 1.00 0.00 C ATOM 446 CG2 ILE A 111 -6.962 -0.108 -4.787 1.00 0.00 C ATOM 447 CD1 ILE A 111 -4.441 1.459 -4.876 1.00 0.00 C ATOM 0 H ILE A 111 -5.739 2.213 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.041 -0.289 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.596 1.331 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.642 2.812 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.291 2.500 -4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.491 0.382 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.582 -0.907 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.028 -0.527 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.821 2.257 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.600 0.696 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.940 1.014 -5.736 1.00 0.00 H new ATOM 459 N LEU A 112 -6.551 -2.049 -7.575 1.00 0.00 N ATOM 460 CA LEU A 112 -7.416 -3.086 -8.204 1.00 0.00 C ATOM 461 C LEU A 112 -8.119 -3.887 -7.110 1.00 0.00 C ATOM 462 O LEU A 112 -9.290 -4.198 -7.205 1.00 0.00 O ATOM 463 CB LEU A 112 -6.557 -4.030 -9.048 1.00 0.00 C ATOM 464 CG LEU A 112 -5.391 -3.253 -9.660 1.00 0.00 C ATOM 465 CD1 LEU A 112 -4.384 -4.237 -10.259 1.00 0.00 C ATOM 466 CD2 LEU A 112 -5.916 -2.330 -10.760 1.00 0.00 C ATOM 0 H LEU A 112 -5.748 -2.408 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.156 -2.602 -8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.180 -4.845 -8.430 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.161 -4.480 -9.836 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.904 -2.658 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.552 -3.685 -10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.010 -4.897 -9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.871 -4.831 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.085 -1.776 -11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.402 -2.925 -11.533 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.636 -1.630 -10.335 1.00 0.00 H new ATOM 478 N ASN A 113 -7.409 -4.226 -6.072 1.00 0.00 N ATOM 479 CA ASN A 113 -8.029 -5.011 -4.967 1.00 0.00 C ATOM 480 C ASN A 113 -7.681 -4.369 -3.622 1.00 0.00 C ATOM 481 O ASN A 113 -6.559 -4.439 -3.161 1.00 0.00 O ATOM 482 CB ASN A 113 -7.496 -6.445 -4.999 1.00 0.00 C ATOM 483 CG ASN A 113 -8.660 -7.428 -4.861 1.00 0.00 C ATOM 484 OD1 ASN A 113 -9.748 -7.048 -4.477 1.00 0.00 O ATOM 485 ND2 ASN A 113 -8.476 -8.684 -5.161 1.00 0.00 N ATOM 0 H ASN A 113 -6.425 -3.994 -5.940 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.112 -5.021 -5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.963 -6.625 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.781 -6.596 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.246 -9.347 -5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -7.562 -9.003 -5.483 1.00 0.00 H new ATOM 492 N SER A 114 -8.638 -3.749 -2.987 1.00 0.00 N ATOM 493 CA SER A 114 -8.369 -3.109 -1.669 1.00 0.00 C ATOM 494 C SER A 114 -9.069 -3.912 -0.572 1.00 0.00 C ATOM 495 O SER A 114 -8.470 -4.737 0.089 1.00 0.00 O ATOM 496 CB SER A 114 -8.906 -1.677 -1.675 1.00 0.00 C ATOM 497 OG SER A 114 -9.891 -1.549 -2.692 1.00 0.00 O ATOM 0 H SER A 114 -9.596 -3.658 -3.325 1.00 0.00 H new ATOM 0 HA SER A 114 -7.295 -3.089 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.336 -1.434 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.093 -0.972 -1.849 1.00 0.00 H new ATOM 0 HG SER A 114 -10.238 -0.633 -2.697 1.00 0.00 H new ATOM 536 N ASP A 118 -4.749 -3.647 4.913 1.00 0.00 N ATOM 537 CA ASP A 118 -3.542 -2.807 5.157 1.00 0.00 C ATOM 538 C ASP A 118 -2.668 -2.796 3.902 1.00 0.00 C ATOM 539 O ASP A 118 -2.063 -1.797 3.564 1.00 0.00 O ATOM 540 CB ASP A 118 -2.744 -3.386 6.328 1.00 0.00 C ATOM 541 CG ASP A 118 -2.393 -2.267 7.311 1.00 0.00 C ATOM 542 OD1 ASP A 118 -3.046 -1.237 7.262 1.00 0.00 O ATOM 543 OD2 ASP A 118 -1.478 -2.460 8.094 1.00 0.00 O ATOM 0 HA ASP A 118 -3.850 -1.789 5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.326 -4.158 6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.834 -3.861 5.962 1.00 0.00 H new ATOM 548 N TRP A 119 -2.596 -3.898 3.207 1.00 0.00 N ATOM 549 CA TRP A 119 -1.761 -3.949 1.974 1.00 0.00 C ATOM 550 C TRP A 119 -2.667 -4.008 0.744 1.00 0.00 C ATOM 551 O TRP A 119 -3.340 -4.990 0.502 1.00 0.00 O ATOM 552 CB TRP A 119 -0.872 -5.192 2.013 1.00 0.00 C ATOM 553 CG TRP A 119 0.221 -4.993 3.012 1.00 0.00 C ATOM 554 CD1 TRP A 119 0.241 -5.524 4.256 1.00 0.00 C ATOM 555 CD2 TRP A 119 1.448 -4.219 2.876 1.00 0.00 C ATOM 556 NE1 TRP A 119 1.403 -5.125 4.892 1.00 0.00 N ATOM 557 CE2 TRP A 119 2.181 -4.320 4.082 1.00 0.00 C ATOM 558 CE3 TRP A 119 1.991 -3.447 1.832 1.00 0.00 C ATOM 559 CZ2 TRP A 119 3.408 -3.679 4.248 1.00 0.00 C ATOM 560 CZ3 TRP A 119 3.227 -2.800 1.997 1.00 0.00 C ATOM 561 CH2 TRP A 119 3.934 -2.916 3.201 1.00 0.00 C ATOM 0 H TRP A 119 -3.079 -4.765 3.440 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.137 -3.057 1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.465 -6.068 2.277 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.448 -5.380 1.027 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.524 -6.156 4.683 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.655 -5.393 5.843 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.455 -3.352 0.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.948 -3.771 5.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.635 -2.209 1.190 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.884 -2.417 3.320 1.00 0.00 H new ATOM 572 N TRP A 120 -2.688 -2.963 -0.038 1.00 0.00 N ATOM 573 CA TRP A 120 -3.549 -2.957 -1.254 1.00 0.00 C ATOM 574 C TRP A 120 -2.709 -3.331 -2.477 1.00 0.00 C ATOM 575 O TRP A 120 -1.517 -3.095 -2.518 1.00 0.00 O ATOM 576 CB TRP A 120 -4.133 -1.558 -1.457 1.00 0.00 C ATOM 577 CG TRP A 120 -5.348 -1.384 -0.602 1.00 0.00 C ATOM 578 CD1 TRP A 120 -5.837 -2.308 0.257 1.00 0.00 C ATOM 579 CD2 TRP A 120 -6.231 -0.231 -0.509 1.00 0.00 C ATOM 580 NE1 TRP A 120 -6.967 -1.794 0.870 1.00 0.00 N ATOM 581 CE2 TRP A 120 -7.250 -0.516 0.429 1.00 0.00 C ATOM 582 CE3 TRP A 120 -6.249 1.024 -1.146 1.00 0.00 C ATOM 583 CZ2 TRP A 120 -8.250 0.411 0.729 1.00 0.00 C ATOM 584 CZ3 TRP A 120 -7.253 1.959 -0.847 1.00 0.00 C ATOM 585 CH2 TRP A 120 -8.251 1.652 0.089 1.00 0.00 C ATOM 0 H TRP A 120 -2.145 -2.113 0.113 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.356 -3.679 -1.128 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.388 -0.803 -1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.392 -1.411 -2.506 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.415 -3.286 0.435 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.522 -2.297 1.562 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.486 1.269 -1.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.017 0.170 1.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.257 2.920 -1.341 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.020 2.375 0.315 1.00 0.00 H new ATOM 596 N GLU A 121 -3.321 -3.898 -3.480 1.00 0.00 N ATOM 597 CA GLU A 121 -2.553 -4.269 -4.704 1.00 0.00 C ATOM 598 C GLU A 121 -2.825 -3.232 -5.794 1.00 0.00 C ATOM 599 O GLU A 121 -3.855 -3.249 -6.439 1.00 0.00 O ATOM 600 CB GLU A 121 -2.971 -5.660 -5.198 1.00 0.00 C ATOM 601 CG GLU A 121 -4.436 -5.928 -4.846 1.00 0.00 C ATOM 602 CD GLU A 121 -4.518 -6.582 -3.464 1.00 0.00 C ATOM 603 OE1 GLU A 121 -3.927 -6.048 -2.540 1.00 0.00 O ATOM 604 OE2 GLU A 121 -5.166 -7.610 -3.355 1.00 0.00 O ATOM 0 H GLU A 121 -4.316 -4.120 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.489 -4.291 -4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -2.830 -5.728 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.336 -6.421 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -4.999 -4.995 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.888 -6.578 -5.595 1.00 0.00 H new ATOM 611 N ALA A 122 -1.912 -2.322 -5.999 1.00 0.00 N ATOM 612 CA ALA A 122 -2.121 -1.277 -7.041 1.00 0.00 C ATOM 613 C ALA A 122 -1.153 -1.504 -8.203 1.00 0.00 C ATOM 614 O ALA A 122 -0.049 -1.977 -8.020 1.00 0.00 O ATOM 615 CB ALA A 122 -1.870 0.103 -6.430 1.00 0.00 C ATOM 0 H ALA A 122 -1.030 -2.257 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.145 -1.334 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.022 0.870 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.563 0.267 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.846 0.156 -6.060 1.00 0.00 H new ATOM 621 N ARG A 123 -1.558 -1.171 -9.399 1.00 0.00 N ATOM 622 CA ARG A 123 -0.659 -1.368 -10.571 1.00 0.00 C ATOM 623 C ARG A 123 0.010 -0.041 -10.931 1.00 0.00 C ATOM 624 O ARG A 123 -0.645 0.966 -11.114 1.00 0.00 O ATOM 625 CB ARG A 123 -1.479 -1.865 -11.765 1.00 0.00 C ATOM 626 CG ARG A 123 -0.566 -2.626 -12.729 1.00 0.00 C ATOM 627 CD ARG A 123 -0.655 -1.999 -14.121 1.00 0.00 C ATOM 628 NE ARG A 123 -1.452 -2.885 -15.015 1.00 0.00 N ATOM 629 CZ ARG A 123 -1.702 -2.519 -16.242 1.00 0.00 C ATOM 630 NH1 ARG A 123 -0.791 -2.666 -17.165 1.00 0.00 N ATOM 631 NH2 ARG A 123 -2.863 -2.006 -16.547 1.00 0.00 N ATOM 0 H ARG A 123 -2.472 -0.772 -9.614 1.00 0.00 H new ATOM 0 HA ARG A 123 0.105 -2.104 -10.322 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.285 -2.514 -11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.944 -1.022 -12.276 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.463 -2.597 -12.371 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.859 -3.675 -12.772 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -1.119 -1.015 -14.059 1.00 0.00 H new ATOM 0 HD3 ARG A 123 0.345 -1.855 -14.531 1.00 0.00 H new ATOM 0 HE ARG A 123 -1.802 -3.778 -14.668 1.00 0.00 H new ATOM 0 HH11 ARG A 123 0.116 -3.067 -16.927 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -0.986 -2.380 -18.124 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -3.575 -1.891 -15.826 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -3.058 -1.720 -17.506 1.00 0.00 H new ATOM 645 N SER A 124 1.312 -0.029 -11.033 1.00 0.00 N ATOM 646 CA SER A 124 2.020 1.235 -11.381 1.00 0.00 C ATOM 647 C SER A 124 1.833 1.531 -12.870 1.00 0.00 C ATOM 648 O SER A 124 2.077 0.694 -13.716 1.00 0.00 O ATOM 649 CB SER A 124 3.511 1.086 -11.074 1.00 0.00 C ATOM 650 OG SER A 124 3.960 -0.183 -11.530 1.00 0.00 O ATOM 0 H SER A 124 1.915 -0.839 -10.890 1.00 0.00 H new ATOM 0 HA SER A 124 1.608 2.055 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.076 1.881 -11.561 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.685 1.182 -10.002 1.00 0.00 H new ATOM 0 HG SER A 124 4.790 -0.073 -12.040 1.00 0.00 H new ATOM 656 N LEU A 125 1.402 2.718 -13.197 1.00 0.00 N ATOM 657 CA LEU A 125 1.197 3.070 -14.630 1.00 0.00 C ATOM 658 C LEU A 125 2.549 3.376 -15.281 1.00 0.00 C ATOM 659 O LEU A 125 2.622 3.731 -16.441 1.00 0.00 O ATOM 660 CB LEU A 125 0.294 4.300 -14.728 1.00 0.00 C ATOM 661 CG LEU A 125 -1.058 3.995 -14.083 1.00 0.00 C ATOM 662 CD1 LEU A 125 -1.476 5.165 -13.191 1.00 0.00 C ATOM 663 CD2 LEU A 125 -2.108 3.788 -15.176 1.00 0.00 C ATOM 0 H LEU A 125 1.183 3.460 -12.533 1.00 0.00 H new ATOM 0 HA LEU A 125 0.728 2.232 -15.146 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.763 5.149 -14.230 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.155 4.580 -15.772 1.00 0.00 H new ATOM 0 HG LEU A 125 -0.976 3.091 -13.480 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.440 4.946 -12.732 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -0.728 5.314 -12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.558 6.070 -13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.073 3.570 -14.717 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -2.189 4.692 -15.779 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.812 2.953 -15.812 1.00 0.00 H new ATOM 675 N THR A 126 3.619 3.243 -14.545 1.00 0.00 N ATOM 676 CA THR A 126 4.962 3.527 -15.126 1.00 0.00 C ATOM 677 C THR A 126 5.625 2.214 -15.548 1.00 0.00 C ATOM 678 O THR A 126 6.099 2.076 -16.657 1.00 0.00 O ATOM 679 CB THR A 126 5.833 4.224 -14.078 1.00 0.00 C ATOM 680 OG1 THR A 126 5.297 5.511 -13.801 1.00 0.00 O ATOM 681 CG2 THR A 126 7.260 4.366 -14.611 1.00 0.00 C ATOM 0 H THR A 126 3.621 2.950 -13.568 1.00 0.00 H new ATOM 0 HA THR A 126 4.852 4.174 -15.997 1.00 0.00 H new ATOM 0 HB THR A 126 5.848 3.632 -13.163 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.852 5.959 -13.129 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.880 4.862 -13.864 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.669 3.378 -14.823 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.249 4.959 -15.526 1.00 0.00 H new ATOM 689 N THR A 127 5.663 1.249 -14.670 1.00 0.00 N ATOM 690 CA THR A 127 6.296 -0.053 -15.020 1.00 0.00 C ATOM 691 C THR A 127 5.262 -0.963 -15.685 1.00 0.00 C ATOM 692 O THR A 127 5.544 -1.635 -16.657 1.00 0.00 O ATOM 693 CB THR A 127 6.823 -0.723 -13.750 1.00 0.00 C ATOM 694 OG1 THR A 127 6.114 -0.223 -12.624 1.00 0.00 O ATOM 695 CG2 THR A 127 8.314 -0.422 -13.590 1.00 0.00 C ATOM 0 H THR A 127 5.283 1.307 -13.725 1.00 0.00 H new ATOM 0 HA THR A 127 7.123 0.121 -15.709 1.00 0.00 H new ATOM 0 HB THR A 127 6.679 -1.801 -13.823 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.449 -0.652 -11.809 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.687 -0.901 -12.684 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.857 -0.806 -14.453 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.462 0.656 -13.518 1.00 0.00 H new ATOM 703 N GLY A 128 4.064 -0.990 -15.170 1.00 0.00 N ATOM 704 CA GLY A 128 3.012 -1.858 -15.772 1.00 0.00 C ATOM 705 C GLY A 128 2.705 -3.021 -14.828 1.00 0.00 C ATOM 706 O GLY A 128 1.628 -3.581 -14.846 1.00 0.00 O ATOM 0 H GLY A 128 3.767 -0.449 -14.358 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.108 -1.277 -15.956 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.348 -2.238 -16.737 1.00 0.00 H new ATOM 710 N GLU A 129 3.647 -3.390 -14.003 1.00 0.00 N ATOM 711 CA GLU A 129 3.410 -4.517 -13.057 1.00 0.00 C ATOM 712 C GLU A 129 2.682 -3.997 -11.817 1.00 0.00 C ATOM 713 O GLU A 129 2.660 -2.811 -11.549 1.00 0.00 O ATOM 714 CB GLU A 129 4.751 -5.125 -12.642 1.00 0.00 C ATOM 715 CG GLU A 129 5.172 -6.183 -13.662 1.00 0.00 C ATOM 716 CD GLU A 129 4.652 -7.555 -13.225 1.00 0.00 C ATOM 717 OE1 GLU A 129 4.968 -7.961 -12.118 1.00 0.00 O ATOM 718 OE2 GLU A 129 3.949 -8.176 -14.004 1.00 0.00 O ATOM 0 H GLU A 129 4.570 -2.960 -13.943 1.00 0.00 H new ATOM 0 HA GLU A 129 2.801 -5.278 -13.544 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.510 -4.346 -12.577 1.00 0.00 H new ATOM 0 HB3 GLU A 129 4.668 -5.573 -11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 129 4.778 -5.930 -14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.258 -6.206 -13.750 1.00 0.00 H new ATOM 725 N THR A 130 2.083 -4.872 -11.057 1.00 0.00 N ATOM 726 CA THR A 130 1.358 -4.426 -9.837 1.00 0.00 C ATOM 727 C THR A 130 2.041 -5.005 -8.597 1.00 0.00 C ATOM 728 O THR A 130 2.832 -5.924 -8.684 1.00 0.00 O ATOM 729 CB THR A 130 -0.091 -4.915 -9.895 1.00 0.00 C ATOM 730 OG1 THR A 130 -0.839 -4.296 -8.858 1.00 0.00 O ATOM 731 CG2 THR A 130 -0.127 -6.434 -9.716 1.00 0.00 C ATOM 0 H THR A 130 2.065 -5.877 -11.229 1.00 0.00 H new ATOM 0 HA THR A 130 1.372 -3.337 -9.785 1.00 0.00 H new ATOM 0 HB THR A 130 -0.524 -4.656 -10.861 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.299 -3.594 -8.439 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.159 -6.781 -9.757 1.00 0.00 H new ATOM 0 HG22 THR A 130 0.447 -6.908 -10.512 1.00 0.00 H new ATOM 0 HG23 THR A 130 0.306 -6.697 -8.751 1.00 0.00 H new ATOM 739 N GLY A 131 1.744 -4.473 -7.445 1.00 0.00 N ATOM 740 CA GLY A 131 2.377 -4.992 -6.201 1.00 0.00 C ATOM 741 C GLY A 131 1.515 -4.619 -4.994 1.00 0.00 C ATOM 742 O GLY A 131 0.475 -4.004 -5.129 1.00 0.00 O ATOM 0 H GLY A 131 1.090 -3.701 -7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.487 -6.075 -6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.378 -4.575 -6.089 1.00 0.00 H new ATOM 746 N TYR A 132 1.936 -4.989 -3.817 1.00 0.00 N ATOM 747 CA TYR A 132 1.137 -4.661 -2.604 1.00 0.00 C ATOM 748 C TYR A 132 1.661 -3.369 -1.971 1.00 0.00 C ATOM 749 O TYR A 132 2.566 -3.385 -1.162 1.00 0.00 O ATOM 750 CB TYR A 132 1.257 -5.805 -1.595 1.00 0.00 C ATOM 751 CG TYR A 132 0.598 -7.042 -2.158 1.00 0.00 C ATOM 752 CD1 TYR A 132 -0.770 -7.256 -1.958 1.00 0.00 C ATOM 753 CD2 TYR A 132 1.355 -7.973 -2.879 1.00 0.00 C ATOM 754 CE1 TYR A 132 -1.382 -8.402 -2.478 1.00 0.00 C ATOM 755 CE2 TYR A 132 0.743 -9.119 -3.400 1.00 0.00 C ATOM 756 CZ TYR A 132 -0.626 -9.334 -3.199 1.00 0.00 C ATOM 757 OH TYR A 132 -1.231 -10.464 -3.711 1.00 0.00 O ATOM 0 H TYR A 132 2.799 -5.504 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 132 0.093 -4.526 -2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.306 -6.005 -1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.785 -5.525 -0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.354 -6.537 -1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.411 -7.807 -3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.438 -8.568 -2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.327 -9.837 -3.957 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.565 -11.005 -4.185 1.00 0.00 H new ATOM 767 N ILE A 133 1.092 -2.249 -2.329 1.00 0.00 N ATOM 768 CA ILE A 133 1.553 -0.960 -1.742 1.00 0.00 C ATOM 769 C ILE A 133 0.704 -0.637 -0.507 1.00 0.00 C ATOM 770 O ILE A 133 -0.405 -1.118 -0.379 1.00 0.00 O ATOM 771 CB ILE A 133 1.392 0.159 -2.772 1.00 0.00 C ATOM 772 CG1 ILE A 133 -0.080 0.273 -3.172 1.00 0.00 C ATOM 773 CG2 ILE A 133 2.233 -0.158 -4.011 1.00 0.00 C ATOM 774 CD1 ILE A 133 -0.557 1.710 -2.955 1.00 0.00 C ATOM 0 H ILE A 133 0.329 -2.172 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 133 2.602 -1.043 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 133 1.727 1.101 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.207 -0.010 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.683 -0.415 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.117 0.641 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.282 -0.240 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.900 -1.100 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.606 1.792 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.445 1.976 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.039 2.387 -3.566 1.00 0.00 H new ATOM 786 N PRO A 134 1.250 0.171 0.365 1.00 0.00 N ATOM 787 CA PRO A 134 0.555 0.574 1.601 1.00 0.00 C ATOM 788 C PRO A 134 -0.736 1.323 1.253 1.00 0.00 C ATOM 789 O PRO A 134 -0.720 2.316 0.556 1.00 0.00 O ATOM 790 CB PRO A 134 1.542 1.499 2.324 1.00 0.00 C ATOM 791 CG PRO A 134 2.818 1.604 1.448 1.00 0.00 C ATOM 792 CD PRO A 134 2.596 0.744 0.194 1.00 0.00 C ATOM 0 HA PRO A 134 0.271 -0.278 2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.101 2.484 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.786 1.102 3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.008 2.641 1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.691 1.256 2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.658 1.344 -0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.351 -0.038 0.111 1.00 0.00 H new ATOM 800 N SER A 135 -1.854 0.849 1.730 1.00 0.00 N ATOM 801 CA SER A 135 -3.145 1.529 1.422 1.00 0.00 C ATOM 802 C SER A 135 -3.153 2.933 2.031 1.00 0.00 C ATOM 803 O SER A 135 -3.677 3.865 1.455 1.00 0.00 O ATOM 804 CB SER A 135 -4.297 0.716 2.010 1.00 0.00 C ATOM 805 OG SER A 135 -4.248 0.790 3.428 1.00 0.00 O ATOM 0 H SER A 135 -1.930 0.020 2.320 1.00 0.00 H new ATOM 0 HA SER A 135 -3.261 1.606 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.250 1.100 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.227 -0.322 1.686 1.00 0.00 H new ATOM 0 HG SER A 135 -4.987 0.271 3.808 1.00 0.00 H new ATOM 811 N ASN A 136 -2.583 3.091 3.194 1.00 0.00 N ATOM 812 CA ASN A 136 -2.569 4.437 3.837 1.00 0.00 C ATOM 813 C ASN A 136 -1.551 5.336 3.133 1.00 0.00 C ATOM 814 O ASN A 136 -1.475 6.521 3.391 1.00 0.00 O ATOM 815 CB ASN A 136 -2.186 4.292 5.311 1.00 0.00 C ATOM 816 CG ASN A 136 -2.135 5.676 5.962 1.00 0.00 C ATOM 817 OD1 ASN A 136 -3.134 6.167 6.449 1.00 0.00 O ATOM 818 ND2 ASN A 136 -1.006 6.330 5.991 1.00 0.00 N ATOM 0 H ASN A 136 -2.128 2.349 3.726 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.560 4.884 3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -2.911 3.662 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.217 3.800 5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -0.962 7.253 6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -0.167 5.918 5.582 1.00 0.00 H new ATOM 825 N TYR A 137 -0.764 4.787 2.248 1.00 0.00 N ATOM 826 CA TYR A 137 0.248 5.618 1.535 1.00 0.00 C ATOM 827 C TYR A 137 -0.360 6.182 0.249 1.00 0.00 C ATOM 828 O TYR A 137 0.283 6.912 -0.480 1.00 0.00 O ATOM 829 CB TYR A 137 1.462 4.758 1.181 1.00 0.00 C ATOM 830 CG TYR A 137 2.496 4.867 2.276 1.00 0.00 C ATOM 831 CD1 TYR A 137 2.232 4.333 3.543 1.00 0.00 C ATOM 832 CD2 TYR A 137 3.716 5.503 2.023 1.00 0.00 C ATOM 833 CE1 TYR A 137 3.191 4.436 4.557 1.00 0.00 C ATOM 834 CE2 TYR A 137 4.675 5.605 3.039 1.00 0.00 C ATOM 835 CZ TYR A 137 4.412 5.072 4.305 1.00 0.00 C ATOM 836 OH TYR A 137 5.357 5.171 5.305 1.00 0.00 O ATOM 0 H TYR A 137 -0.778 3.801 1.988 1.00 0.00 H new ATOM 0 HA TYR A 137 0.556 6.438 2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.160 3.718 1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.887 5.084 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 137 1.290 3.842 3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 137 3.918 5.915 1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.989 4.024 5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.617 6.095 2.845 1.00 0.00 H new ATOM 0 HH TYR A 137 6.147 5.640 4.963 1.00 0.00 H new ATOM 846 N VAL A 138 -1.587 5.850 -0.041 1.00 0.00 N ATOM 847 CA VAL A 138 -2.219 6.370 -1.285 1.00 0.00 C ATOM 848 C VAL A 138 -3.632 6.870 -0.981 1.00 0.00 C ATOM 849 O VAL A 138 -4.294 6.389 -0.082 1.00 0.00 O ATOM 850 CB VAL A 138 -2.284 5.254 -2.329 1.00 0.00 C ATOM 851 CG1 VAL A 138 -0.864 4.832 -2.708 1.00 0.00 C ATOM 852 CG2 VAL A 138 -3.034 4.054 -1.748 1.00 0.00 C ATOM 0 H VAL A 138 -2.178 5.243 0.528 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.623 7.197 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 138 -2.807 5.614 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -0.907 4.037 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.328 5.687 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.343 4.471 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.080 3.259 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.511 3.692 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.046 4.355 -1.475 1.00 0.00 H new ATOM 862 N ALA A 139 -4.098 7.833 -1.727 1.00 0.00 N ATOM 863 CA ALA A 139 -5.466 8.368 -1.488 1.00 0.00 C ATOM 864 C ALA A 139 -6.144 8.648 -2.834 1.00 0.00 C ATOM 865 O ALA A 139 -5.477 8.838 -3.831 1.00 0.00 O ATOM 866 CB ALA A 139 -5.372 9.668 -0.686 1.00 0.00 C ATOM 0 H ALA A 139 -3.589 8.273 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.051 7.637 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.374 10.061 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.887 9.471 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.789 10.399 -1.245 1.00 0.00 H new ATOM 872 N PRO A 140 -7.453 8.665 -2.819 1.00 0.00 N ATOM 873 CA PRO A 140 -8.248 8.920 -4.034 1.00 0.00 C ATOM 874 C PRO A 140 -7.922 10.306 -4.598 1.00 0.00 C ATOM 875 O PRO A 140 -7.816 11.273 -3.870 1.00 0.00 O ATOM 876 CB PRO A 140 -9.709 8.853 -3.568 1.00 0.00 C ATOM 877 CG PRO A 140 -9.705 8.552 -2.046 1.00 0.00 C ATOM 878 CD PRO A 140 -8.241 8.435 -1.596 1.00 0.00 C ATOM 0 HA PRO A 140 -8.040 8.201 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.219 9.795 -3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.248 8.076 -4.110 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.211 9.347 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.244 7.628 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.003 9.171 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.035 7.453 -1.171 1.00 0.00 H new ATOM 886 N VAL A 141 -7.760 10.409 -5.889 1.00 0.00 N ATOM 887 CA VAL A 141 -7.439 11.732 -6.496 1.00 0.00 C ATOM 888 C VAL A 141 -8.722 12.375 -7.027 1.00 0.00 C ATOM 889 O VAL A 141 -9.509 11.668 -7.634 1.00 0.00 O ATOM 890 CB VAL A 141 -6.449 11.538 -7.647 1.00 0.00 C ATOM 891 CG1 VAL A 141 -7.166 10.909 -8.843 1.00 0.00 C ATOM 892 CG2 VAL A 141 -5.874 12.897 -8.056 1.00 0.00 C ATOM 0 H VAL A 141 -7.836 9.635 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 141 -6.995 12.380 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.642 10.880 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -6.458 10.772 -9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -7.577 9.942 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -7.974 11.564 -9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.168 12.762 -8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.683 13.552 -8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.360 13.346 -7.206 1.00 0.00 H new