USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 47 GLN : amide:sc= -0.359 X(o=0.54,f=0.33) USER MOD Set 1.2: A 56 GLN : amide:sc= 0.895 K(o=0.54,f=-0.52) USER MOD Set 2.1: A 30 MET CE :methyl -179:sc= -0.781 (180deg=-0.706) USER MOD Set 2.2: A 72 MET CE :methyl -136:sc= -0.377 (180deg=-0.283) USER MOD Single : A 4 MET CE :methyl 166:sc= -0.0491 (180deg=-0.361) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.151 K(o=-0.15,f=-3.1!) USER MOD Single : A 13 THR OG1 : rot -160:sc= 0.0214 USER MOD Single : A 14 TYR OH : rot 62:sc= 0.79 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0161 F(o=-1.1!,f=-0.016) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 43:sc= 0.237 USER MOD Single : A 49 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.4) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 61 SER OG : rot 166:sc= 1.3 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 66 TYR OH : rot 37:sc= 1.27 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 71 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 11.041 4.875 -17.018 1.00 0.00 N ATOM 2 CA MET A 4 11.443 5.914 -16.102 1.00 0.00 C ATOM 3 C MET A 4 10.255 6.504 -15.356 1.00 0.00 C ATOM 4 O MET A 4 9.143 6.007 -15.487 1.00 0.00 O ATOM 5 CB MET A 4 12.213 7.014 -16.841 1.00 0.00 C ATOM 6 CG MET A 4 13.496 6.514 -17.496 1.00 0.00 C ATOM 7 SD MET A 4 14.352 7.792 -18.448 1.00 0.00 S ATOM 8 CE MET A 4 14.788 8.955 -17.157 1.00 0.00 C ATOM 0 HA MET A 4 12.101 5.459 -15.361 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.569 7.449 -17.605 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.458 7.811 -16.139 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.166 6.134 -16.725 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.259 5.677 -18.153 1.00 0.00 H new ATOM 0 HE1 MET A 4 15.525 9.662 -17.538 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.897 9.496 -16.839 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.208 8.416 -16.308 1.00 0.00 H new ATOM 18 N ARG A 5 10.488 7.566 -14.588 1.00 0.00 N ATOM 19 CA ARG A 5 9.479 8.149 -13.713 1.00 0.00 C ATOM 20 C ARG A 5 8.201 8.532 -14.464 1.00 0.00 C ATOM 21 O ARG A 5 7.099 8.418 -13.920 1.00 0.00 O ATOM 22 CB ARG A 5 10.067 9.383 -13.000 1.00 0.00 C ATOM 23 CG ARG A 5 9.195 9.951 -11.885 1.00 0.00 C ATOM 24 CD ARG A 5 8.194 10.974 -12.396 1.00 0.00 C ATOM 25 NE ARG A 5 8.828 12.203 -12.859 1.00 0.00 N ATOM 26 CZ ARG A 5 8.154 13.222 -13.405 1.00 0.00 C ATOM 27 NH1 ARG A 5 6.852 13.110 -13.606 1.00 0.00 N ATOM 28 NH2 ARG A 5 8.779 14.335 -13.747 1.00 0.00 N ATOM 0 H ARG A 5 11.387 8.047 -14.557 1.00 0.00 H new ATOM 0 HA ARG A 5 9.200 7.391 -12.981 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.038 9.116 -12.583 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.242 10.164 -13.740 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.661 9.137 -11.395 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.831 10.414 -11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.620 10.537 -13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.487 11.212 -11.601 1.00 0.00 H new ATOM 0 HE ARG A 5 9.840 12.291 -12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.368 12.251 -13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.332 13.883 -14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.784 14.423 -13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.257 15.106 -14.163 1.00 0.00 H new ATOM 42 N SER A 6 8.338 8.967 -15.706 1.00 0.00 N ATOM 43 CA SER A 6 7.189 9.394 -16.500 1.00 0.00 C ATOM 44 C SER A 6 6.445 8.203 -17.119 1.00 0.00 C ATOM 45 O SER A 6 5.608 8.376 -18.004 1.00 0.00 O ATOM 46 CB SER A 6 7.633 10.344 -17.599 1.00 0.00 C ATOM 47 OG SER A 6 8.414 11.415 -17.073 1.00 0.00 O ATOM 0 H SER A 6 9.233 9.035 -16.190 1.00 0.00 H new ATOM 0 HA SER A 6 6.502 9.906 -15.826 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.214 9.798 -18.342 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.758 10.746 -18.111 1.00 0.00 H new ATOM 0 HG SER A 6 8.687 12.010 -17.803 1.00 0.00 H new ATOM 53 N GLU A 7 6.774 6.991 -16.658 1.00 0.00 N ATOM 54 CA GLU A 7 6.121 5.770 -17.129 1.00 0.00 C ATOM 55 C GLU A 7 4.618 5.846 -16.877 1.00 0.00 C ATOM 56 O GLU A 7 3.796 5.587 -17.762 1.00 0.00 O ATOM 57 CB GLU A 7 6.704 4.549 -16.417 1.00 0.00 C ATOM 58 CG GLU A 7 6.264 3.207 -16.993 1.00 0.00 C ATOM 59 CD GLU A 7 6.820 2.019 -16.231 1.00 0.00 C ATOM 60 OE1 GLU A 7 6.514 1.877 -15.033 1.00 0.00 O ATOM 61 OE2 GLU A 7 7.557 1.210 -16.837 1.00 0.00 O ATOM 0 H GLU A 7 7.495 6.832 -15.954 1.00 0.00 H new ATOM 0 HA GLU A 7 6.298 5.673 -18.200 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.792 4.607 -16.456 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.420 4.588 -15.365 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.175 3.156 -16.988 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.582 3.144 -18.034 1.00 0.00 H new ATOM 68 N PHE A 8 4.263 6.234 -15.657 1.00 0.00 N ATOM 69 CA PHE A 8 2.874 6.441 -15.297 1.00 0.00 C ATOM 70 C PHE A 8 2.435 7.826 -15.766 1.00 0.00 C ATOM 71 O PHE A 8 3.256 8.689 -16.028 1.00 0.00 O ATOM 72 CB PHE A 8 2.668 6.295 -13.785 1.00 0.00 C ATOM 73 CG PHE A 8 2.793 4.891 -13.302 1.00 0.00 C ATOM 74 CD1 PHE A 8 1.717 4.011 -13.386 1.00 0.00 C ATOM 75 CD2 PHE A 8 3.969 4.438 -12.727 1.00 0.00 C ATOM 76 CE1 PHE A 8 1.819 2.712 -12.927 1.00 0.00 C ATOM 77 CE2 PHE A 8 4.087 3.141 -12.257 1.00 0.00 C ATOM 78 CZ PHE A 8 3.011 2.282 -12.364 1.00 0.00 C ATOM 0 H PHE A 8 4.925 6.411 -14.901 1.00 0.00 H new ATOM 0 HA PHE A 8 2.265 5.681 -15.786 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.397 6.916 -13.265 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.681 6.675 -13.522 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.787 4.350 -13.817 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.811 5.110 -12.644 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.979 2.038 -13.006 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.011 2.804 -11.811 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.099 1.267 -12.006 1.00 0.00 H new ATOM 88 N ALA A 9 1.119 8.016 -15.860 1.00 0.00 N ATOM 89 CA ALA A 9 0.552 9.243 -16.411 1.00 0.00 C ATOM 90 C ALA A 9 0.928 10.482 -15.602 1.00 0.00 C ATOM 91 O ALA A 9 1.066 11.578 -16.147 1.00 0.00 O ATOM 92 CB ALA A 9 -0.956 9.142 -16.492 1.00 0.00 C ATOM 0 H ALA A 9 0.425 7.332 -15.560 1.00 0.00 H new ATOM 0 HA ALA A 9 0.975 9.355 -17.409 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.361 10.066 -16.905 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.231 8.306 -17.135 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.364 8.981 -15.494 1.00 0.00 H new ATOM 98 N SER A 10 1.084 10.308 -14.309 1.00 0.00 N ATOM 99 CA SER A 10 1.439 11.433 -13.450 1.00 0.00 C ATOM 100 C SER A 10 2.901 11.350 -13.020 1.00 0.00 C ATOM 101 O SER A 10 3.517 12.365 -12.709 1.00 0.00 O ATOM 102 CB SER A 10 0.532 11.453 -12.234 1.00 0.00 C ATOM 103 OG SER A 10 -0.834 11.528 -12.630 1.00 0.00 O ATOM 0 H SER A 10 0.974 9.416 -13.827 1.00 0.00 H new ATOM 0 HA SER A 10 1.306 12.357 -14.013 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.695 10.556 -11.637 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.781 12.306 -11.602 1.00 0.00 H new ATOM 0 HG SER A 10 -1.405 11.538 -11.834 1.00 0.00 H new ATOM 109 N GLY A 11 3.455 10.145 -13.005 1.00 0.00 N ATOM 110 CA GLY A 11 4.822 9.962 -12.534 1.00 0.00 C ATOM 111 C GLY A 11 4.885 9.892 -11.020 1.00 0.00 C ATOM 112 O GLY A 11 5.554 9.012 -10.471 1.00 0.00 O ATOM 0 H GLY A 11 2.988 9.291 -13.309 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.235 9.047 -12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.443 10.786 -12.887 1.00 0.00 H new ATOM 116 N ASN A 12 4.184 10.813 -10.353 1.00 0.00 N ATOM 117 CA ASN A 12 4.008 10.796 -8.890 1.00 0.00 C ATOM 118 C ASN A 12 3.384 9.476 -8.439 1.00 0.00 C ATOM 119 O ASN A 12 3.476 9.085 -7.277 1.00 0.00 O ATOM 120 CB ASN A 12 3.131 11.957 -8.434 1.00 0.00 C ATOM 121 CG ASN A 12 3.715 13.333 -8.741 1.00 0.00 C ATOM 122 OD1 ASN A 12 4.453 13.510 -9.705 1.00 0.00 O ATOM 123 ND2 ASN A 12 3.375 14.310 -7.918 1.00 0.00 N ATOM 0 H ASN A 12 3.719 11.597 -10.811 1.00 0.00 H new ATOM 0 HA ASN A 12 4.993 10.900 -8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.156 11.872 -8.913 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.967 11.875 -7.360 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.729 15.254 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.759 14.120 -7.128 1.00 0.00 H new ATOM 130 N THR A 13 2.715 8.824 -9.381 1.00 0.00 N ATOM 131 CA THR A 13 2.042 7.558 -9.163 1.00 0.00 C ATOM 132 C THR A 13 2.970 6.534 -8.504 1.00 0.00 C ATOM 133 O THR A 13 2.504 5.679 -7.746 1.00 0.00 O ATOM 134 CB THR A 13 1.523 7.011 -10.512 1.00 0.00 C ATOM 135 OG1 THR A 13 0.979 8.085 -11.282 1.00 0.00 O ATOM 136 CG2 THR A 13 0.460 5.949 -10.286 1.00 0.00 C ATOM 0 H THR A 13 2.625 9.171 -10.336 1.00 0.00 H new ATOM 0 HA THR A 13 1.204 7.729 -8.487 1.00 0.00 H new ATOM 0 HB THR A 13 2.354 6.557 -11.051 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.379 7.725 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.107 5.577 -11.248 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.885 5.126 -9.712 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.376 6.382 -9.736 1.00 0.00 H new ATOM 144 N TYR A 14 4.277 6.627 -8.771 1.00 0.00 N ATOM 145 CA TYR A 14 5.244 5.773 -8.107 1.00 0.00 C ATOM 146 C TYR A 14 5.182 5.998 -6.597 1.00 0.00 C ATOM 147 O TYR A 14 4.971 5.062 -5.833 1.00 0.00 O ATOM 148 CB TYR A 14 6.651 6.035 -8.585 1.00 0.00 C ATOM 149 CG TYR A 14 6.983 5.439 -9.930 1.00 0.00 C ATOM 150 CD1 TYR A 14 7.249 4.072 -10.055 1.00 0.00 C ATOM 151 CD2 TYR A 14 7.022 6.217 -11.076 1.00 0.00 C ATOM 152 CE1 TYR A 14 7.552 3.534 -11.290 1.00 0.00 C ATOM 153 CE2 TYR A 14 7.319 5.688 -12.306 1.00 0.00 C ATOM 154 CZ TYR A 14 7.596 4.334 -12.408 1.00 0.00 C ATOM 155 OH TYR A 14 7.902 3.789 -13.635 1.00 0.00 O ATOM 0 H TYR A 14 4.679 7.284 -9.440 1.00 0.00 H new ATOM 0 HA TYR A 14 4.988 4.742 -8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.809 7.112 -8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.350 5.642 -7.847 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.217 3.435 -9.183 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.812 7.273 -10.998 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.756 2.477 -11.379 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.337 6.318 -13.183 1.00 0.00 H new ATOM 0 HH TYR A 14 7.221 3.128 -13.878 1.00 0.00 H new ATOM 165 N ALA A 15 5.359 7.263 -6.218 1.00 0.00 N ATOM 166 CA ALA A 15 5.344 7.664 -4.821 1.00 0.00 C ATOM 167 C ALA A 15 4.025 7.317 -4.144 1.00 0.00 C ATOM 168 O ALA A 15 3.970 6.992 -2.959 1.00 0.00 O ATOM 169 CB ALA A 15 5.603 9.157 -4.713 1.00 0.00 C ATOM 0 H ALA A 15 5.516 8.031 -6.870 1.00 0.00 H new ATOM 0 HA ALA A 15 6.133 7.113 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.591 9.453 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.577 9.390 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.828 9.701 -5.253 1.00 0.00 H new ATOM 175 N LEU A 16 2.954 7.362 -4.920 1.00 0.00 N ATOM 176 CA LEU A 16 1.631 7.107 -4.403 1.00 0.00 C ATOM 177 C LEU A 16 1.442 5.612 -4.116 1.00 0.00 C ATOM 178 O LEU A 16 0.874 5.213 -3.101 1.00 0.00 O ATOM 179 CB LEU A 16 0.586 7.611 -5.408 1.00 0.00 C ATOM 180 CG LEU A 16 -0.872 7.542 -4.944 1.00 0.00 C ATOM 181 CD1 LEU A 16 -1.122 8.454 -3.748 1.00 0.00 C ATOM 182 CD2 LEU A 16 -1.802 7.920 -6.087 1.00 0.00 C ATOM 0 H LEU A 16 2.982 7.575 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 16 1.503 7.642 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.819 8.646 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.683 7.032 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.075 6.517 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.167 8.380 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.482 8.151 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.896 9.484 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.836 7.868 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.579 8.935 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.658 7.229 -6.917 1.00 0.00 H new ATOM 194 N TYR A 17 1.922 4.795 -5.058 1.00 0.00 N ATOM 195 CA TYR A 17 1.897 3.348 -4.902 1.00 0.00 C ATOM 196 C TYR A 17 2.763 2.895 -3.742 1.00 0.00 C ATOM 197 O TYR A 17 2.288 2.170 -2.855 1.00 0.00 O ATOM 198 CB TYR A 17 2.387 2.698 -6.206 1.00 0.00 C ATOM 199 CG TYR A 17 2.473 1.199 -6.148 1.00 0.00 C ATOM 200 CD1 TYR A 17 1.340 0.417 -6.132 1.00 0.00 C ATOM 201 CD2 TYR A 17 3.708 0.549 -6.126 1.00 0.00 C ATOM 202 CE1 TYR A 17 1.408 -0.964 -6.102 1.00 0.00 C ATOM 203 CE2 TYR A 17 3.788 -0.820 -6.085 1.00 0.00 C ATOM 204 CZ TYR A 17 2.644 -1.575 -6.077 1.00 0.00 C ATOM 205 OH TYR A 17 2.723 -2.957 -6.069 1.00 0.00 O ATOM 0 H TYR A 17 2.332 5.117 -5.935 1.00 0.00 H new ATOM 0 HA TYR A 17 0.874 3.040 -4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.715 2.982 -7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.370 3.099 -6.452 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.372 0.895 -6.143 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.616 1.134 -6.142 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.505 -1.556 -6.098 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.753 -1.303 -6.059 1.00 0.00 H new ATOM 0 HH TYR A 17 3.664 -3.231 -6.052 1.00 0.00 H new ATOM 215 N VAL A 18 4.023 3.296 -3.749 1.00 0.00 N ATOM 216 CA VAL A 18 4.951 2.859 -2.722 1.00 0.00 C ATOM 217 C VAL A 18 4.500 3.304 -1.323 1.00 0.00 C ATOM 218 O VAL A 18 4.540 2.517 -0.400 1.00 0.00 O ATOM 219 CB VAL A 18 6.402 3.317 -2.999 1.00 0.00 C ATOM 220 CG1 VAL A 18 6.917 2.728 -4.299 1.00 0.00 C ATOM 221 CG2 VAL A 18 6.546 4.833 -3.011 1.00 0.00 C ATOM 0 H VAL A 18 4.424 3.919 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 18 4.945 1.769 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 18 7.009 2.943 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.939 3.065 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.899 1.640 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.283 3.056 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.584 5.098 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.909 5.253 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.248 5.234 -2.042 1.00 0.00 H new ATOM 231 N ARG A 19 4.050 4.542 -1.168 1.00 0.00 N ATOM 232 CA ARG A 19 3.579 5.020 0.129 1.00 0.00 C ATOM 233 C ARG A 19 2.452 4.157 0.692 1.00 0.00 C ATOM 234 O ARG A 19 2.335 3.993 1.893 1.00 0.00 O ATOM 235 CB ARG A 19 3.099 6.461 0.011 1.00 0.00 C ATOM 236 CG ARG A 19 2.543 7.018 1.308 1.00 0.00 C ATOM 237 CD ARG A 19 2.075 8.456 1.152 1.00 0.00 C ATOM 238 NE ARG A 19 1.362 8.907 2.339 1.00 0.00 N ATOM 239 CZ ARG A 19 0.804 10.105 2.449 1.00 0.00 C ATOM 240 NH1 ARG A 19 0.931 11.007 1.465 1.00 0.00 N ATOM 241 NH2 ARG A 19 0.152 10.422 3.557 1.00 0.00 N ATOM 0 H ARG A 19 4.000 5.231 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 19 4.422 4.958 0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.928 7.087 -0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.330 6.518 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.710 6.399 1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.308 6.967 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.933 9.103 0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.425 8.538 0.281 1.00 0.00 H new ATOM 0 HE ARG A 19 1.288 8.266 3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.460 10.774 0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.499 11.926 1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.082 9.747 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.280 11.341 3.649 1.00 0.00 H new ATOM 255 N ASP A 20 1.658 3.573 -0.216 1.00 0.00 N ATOM 256 CA ASP A 20 0.510 2.778 0.182 1.00 0.00 C ATOM 257 C ASP A 20 0.921 1.375 0.583 1.00 0.00 C ATOM 258 O ASP A 20 0.597 0.903 1.668 1.00 0.00 O ATOM 259 CB ASP A 20 -0.508 2.726 -0.954 1.00 0.00 C ATOM 260 CG ASP A 20 -1.759 1.967 -0.567 1.00 0.00 C ATOM 261 OD1 ASP A 20 -2.626 2.541 0.129 1.00 0.00 O ATOM 262 OD2 ASP A 20 -1.903 0.806 -0.979 1.00 0.00 O ATOM 0 H ASP A 20 1.797 3.641 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 20 0.055 3.253 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.777 3.741 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.054 2.254 -1.825 1.00 0.00 H new ATOM 267 N THR A 21 1.645 0.704 -0.292 1.00 0.00 N ATOM 268 CA THR A 21 1.967 -0.703 -0.095 1.00 0.00 C ATOM 269 C THR A 21 3.228 -0.907 0.749 1.00 0.00 C ATOM 270 O THR A 21 3.289 -1.815 1.592 1.00 0.00 O ATOM 271 CB THR A 21 2.139 -1.425 -1.444 1.00 0.00 C ATOM 272 OG1 THR A 21 0.947 -1.233 -2.238 1.00 0.00 O ATOM 273 CG2 THR A 21 2.394 -2.915 -1.257 1.00 0.00 C ATOM 0 H THR A 21 2.024 1.108 -1.149 1.00 0.00 H new ATOM 0 HA THR A 21 1.125 -1.132 0.448 1.00 0.00 H new ATOM 0 HB THR A 21 3.006 -1.001 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.051 -1.689 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.510 -3.389 -2.231 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.303 -3.058 -0.673 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.551 -3.365 -0.732 1.00 0.00 H new ATOM 281 N LEU A 22 4.224 -0.055 0.527 1.00 0.00 N ATOM 282 CA LEU A 22 5.531 -0.189 1.180 1.00 0.00 C ATOM 283 C LEU A 22 5.437 0.190 2.656 1.00 0.00 C ATOM 284 O LEU A 22 5.435 1.366 3.025 1.00 0.00 O ATOM 285 CB LEU A 22 6.535 0.707 0.447 1.00 0.00 C ATOM 286 CG LEU A 22 7.987 0.641 0.957 1.00 0.00 C ATOM 287 CD1 LEU A 22 8.580 -0.754 0.787 1.00 0.00 C ATOM 288 CD2 LEU A 22 8.838 1.669 0.224 1.00 0.00 C ATOM 0 H LEU A 22 4.154 0.743 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 22 5.864 -1.226 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.528 0.440 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.191 1.739 0.517 1.00 0.00 H new ATOM 0 HG LEU A 22 7.981 0.868 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.605 -0.761 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.985 -1.473 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.574 -1.026 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.864 1.618 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.822 1.459 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.438 2.667 0.404 1.00 0.00 H new ATOM 300 N GLN A 23 5.284 -0.825 3.495 1.00 0.00 N ATOM 301 CA GLN A 23 5.208 -0.645 4.936 1.00 0.00 C ATOM 302 C GLN A 23 6.604 -0.535 5.515 1.00 0.00 C ATOM 303 O GLN A 23 7.575 -1.059 4.961 1.00 0.00 O ATOM 304 CB GLN A 23 4.492 -1.816 5.579 1.00 0.00 C ATOM 305 CG GLN A 23 3.018 -1.941 5.238 1.00 0.00 C ATOM 306 CD GLN A 23 2.336 -3.085 5.980 1.00 0.00 C ATOM 307 OE1 GLN A 23 2.817 -3.386 7.192 1.00 0.00 O flip ATOM 308 NE2 GLN A 23 1.393 -3.685 5.486 1.00 0.00 N flip ATOM 0 H GLN A 23 5.209 -1.797 3.194 1.00 0.00 H new ATOM 0 HA GLN A 23 4.652 0.270 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.996 -2.736 5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.592 -1.732 6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.513 -1.005 5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.910 -2.094 4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.054 -3.427 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.945 -4.443 6.000 1.00 0.00 H new ATOM 317 N PRO A 24 6.734 0.146 6.661 1.00 0.00 N ATOM 318 CA PRO A 24 7.993 0.212 7.417 1.00 0.00 C ATOM 319 C PRO A 24 8.505 -1.187 7.773 1.00 0.00 C ATOM 320 O PRO A 24 7.861 -1.921 8.523 1.00 0.00 O ATOM 321 CB PRO A 24 7.616 0.973 8.687 1.00 0.00 C ATOM 322 CG PRO A 24 6.397 1.746 8.329 1.00 0.00 C ATOM 323 CD PRO A 24 5.665 0.915 7.310 1.00 0.00 C ATOM 0 HA PRO A 24 8.790 0.689 6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.420 0.289 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.423 1.634 9.005 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.776 1.924 9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.659 2.722 7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.929 0.262 7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.128 1.538 6.595 1.00 0.00 H new ATOM 331 N GLY A 25 9.649 -1.532 7.243 1.00 0.00 N ATOM 332 CA GLY A 25 10.178 -2.858 7.426 1.00 0.00 C ATOM 333 C GLY A 25 10.280 -3.608 6.115 1.00 0.00 C ATOM 334 O GLY A 25 10.917 -4.658 6.042 1.00 0.00 O ATOM 0 H GLY A 25 10.233 -0.913 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.164 -2.796 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.539 -3.413 8.113 1.00 0.00 H new ATOM 338 N MET A 26 9.635 -3.084 5.095 1.00 0.00 N ATOM 339 CA MET A 26 9.726 -3.671 3.767 1.00 0.00 C ATOM 340 C MET A 26 11.033 -3.258 3.093 1.00 0.00 C ATOM 341 O MET A 26 11.497 -2.126 3.232 1.00 0.00 O ATOM 342 CB MET A 26 8.549 -3.262 2.879 1.00 0.00 C ATOM 343 CG MET A 26 7.265 -4.029 3.147 1.00 0.00 C ATOM 344 SD MET A 26 5.960 -3.573 1.999 1.00 0.00 S ATOM 345 CE MET A 26 4.701 -4.768 2.441 1.00 0.00 C ATOM 0 H MET A 26 9.043 -2.256 5.155 1.00 0.00 H new ATOM 0 HA MET A 26 9.699 -4.753 3.892 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.358 -2.198 3.017 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.831 -3.402 1.835 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.459 -5.099 3.070 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.934 -3.837 4.168 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.821 -4.618 1.816 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.087 -5.776 2.288 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.428 -4.639 3.488 1.00 0.00 H new ATOM 355 N ARG A 27 11.626 -4.199 2.378 1.00 0.00 N ATOM 356 CA ARG A 27 12.890 -3.973 1.714 1.00 0.00 C ATOM 357 C ARG A 27 12.712 -3.213 0.410 1.00 0.00 C ATOM 358 O ARG A 27 11.690 -3.358 -0.282 1.00 0.00 O ATOM 359 CB ARG A 27 13.606 -5.305 1.468 1.00 0.00 C ATOM 360 CG ARG A 27 15.101 -5.168 1.331 1.00 0.00 C ATOM 361 CD ARG A 27 15.748 -6.516 1.072 1.00 0.00 C ATOM 362 NE ARG A 27 17.205 -6.503 1.168 1.00 0.00 N ATOM 363 CZ ARG A 27 17.995 -7.459 0.672 1.00 0.00 C ATOM 364 NH1 ARG A 27 17.454 -8.419 -0.079 1.00 0.00 N ATOM 365 NH2 ARG A 27 19.292 -7.433 0.893 1.00 0.00 N ATOM 0 H ARG A 27 11.244 -5.135 2.244 1.00 0.00 H new ATOM 0 HA ARG A 27 13.505 -3.357 2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.385 -5.984 2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.206 -5.761 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.334 -4.485 0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.515 -4.730 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.353 -7.240 1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.463 -6.860 0.078 1.00 0.00 H new ATOM 0 HE ARG A 27 17.647 -5.716 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.451 -8.416 -0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.043 -9.157 -0.466 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.700 -6.679 1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.889 -8.166 0.511 1.00 0.00 H new ATOM 379 N VAL A 28 13.700 -2.399 0.081 1.00 0.00 N ATOM 380 CA VAL A 28 13.674 -1.588 -1.138 1.00 0.00 C ATOM 381 C VAL A 28 14.953 -1.766 -1.937 1.00 0.00 C ATOM 382 O VAL A 28 15.985 -2.168 -1.401 1.00 0.00 O ATOM 383 CB VAL A 28 13.472 -0.089 -0.827 1.00 0.00 C ATOM 384 CG1 VAL A 28 12.135 0.149 -0.161 1.00 0.00 C ATOM 385 CG2 VAL A 28 14.604 0.436 0.046 1.00 0.00 C ATOM 0 H VAL A 28 14.542 -2.277 0.644 1.00 0.00 H new ATOM 0 HA VAL A 28 12.826 -1.936 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 28 13.483 0.456 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.017 1.212 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.335 -0.182 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.089 -0.411 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.443 1.494 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.627 -0.118 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.553 0.309 -0.474 1.00 0.00 H new ATOM 395 N ARG A 29 14.866 -1.485 -3.231 1.00 0.00 N ATOM 396 CA ARG A 29 16.020 -1.638 -4.117 1.00 0.00 C ATOM 397 C ARG A 29 16.270 -0.346 -4.880 1.00 0.00 C ATOM 398 O ARG A 29 15.355 0.252 -5.426 1.00 0.00 O ATOM 399 CB ARG A 29 15.773 -2.795 -5.087 1.00 0.00 C ATOM 400 CG ARG A 29 16.926 -3.068 -6.039 1.00 0.00 C ATOM 401 CD ARG A 29 16.735 -4.390 -6.769 1.00 0.00 C ATOM 402 NE ARG A 29 16.697 -5.527 -5.828 1.00 0.00 N ATOM 403 CZ ARG A 29 16.172 -6.721 -6.102 1.00 0.00 C ATOM 404 NH1 ARG A 29 15.566 -6.966 -7.264 1.00 0.00 N ATOM 405 NH2 ARG A 29 16.212 -7.667 -5.178 1.00 0.00 N ATOM 0 H ARG A 29 14.018 -1.153 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 29 16.905 -1.861 -3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.569 -3.699 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.878 -2.580 -5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 29 17.003 -2.257 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.863 -3.089 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.808 -4.360 -7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.547 -4.534 -7.482 1.00 0.00 H new ATOM 0 HE ARG A 29 17.101 -5.389 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.496 -6.231 -7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.172 -7.889 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.640 -7.477 -4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.815 -8.586 -5.372 1.00 0.00 H new ATOM 419 N MET A 30 17.515 0.083 -4.900 1.00 0.00 N ATOM 420 CA MET A 30 17.916 1.305 -5.586 1.00 0.00 C ATOM 421 C MET A 30 18.231 0.996 -7.051 1.00 0.00 C ATOM 422 O MET A 30 18.995 0.082 -7.331 1.00 0.00 O ATOM 423 CB MET A 30 19.138 1.906 -4.907 1.00 0.00 C ATOM 424 CG MET A 30 19.506 3.300 -5.416 1.00 0.00 C ATOM 425 SD MET A 30 18.277 4.549 -4.990 1.00 0.00 S ATOM 426 CE MET A 30 19.063 6.022 -5.628 1.00 0.00 C ATOM 0 H MET A 30 18.284 -0.404 -4.441 1.00 0.00 H new ATOM 0 HA MET A 30 17.098 2.024 -5.541 1.00 0.00 H new ATOM 0 HB2 MET A 30 18.956 1.958 -3.834 1.00 0.00 H new ATOM 0 HB3 MET A 30 19.988 1.240 -5.055 1.00 0.00 H new ATOM 0 HG2 MET A 30 20.471 3.590 -5.000 1.00 0.00 H new ATOM 0 HG3 MET A 30 19.623 3.267 -6.499 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.433 6.888 -5.425 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.031 6.157 -5.145 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.206 5.921 -6.704 1.00 0.00 H new ATOM 436 N LEU A 31 17.640 1.736 -7.958 1.00 0.00 N ATOM 437 CA LEU A 31 17.882 1.506 -9.364 1.00 0.00 C ATOM 438 C LEU A 31 18.587 2.704 -10.014 1.00 0.00 C ATOM 439 O LEU A 31 18.640 2.815 -11.230 1.00 0.00 O ATOM 440 CB LEU A 31 16.568 1.190 -10.100 1.00 0.00 C ATOM 441 CG LEU A 31 15.316 2.002 -9.727 1.00 0.00 C ATOM 442 CD1 LEU A 31 15.529 3.487 -9.877 1.00 0.00 C ATOM 443 CD2 LEU A 31 14.144 1.554 -10.570 1.00 0.00 C ATOM 0 H LEU A 31 16.993 2.497 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 31 18.542 0.643 -9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.744 1.320 -11.168 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.342 0.136 -9.941 1.00 0.00 H new ATOM 0 HG LEU A 31 15.105 1.814 -8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.616 4.015 -9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 31 16.343 3.805 -9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.782 3.716 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.260 2.133 -10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.373 1.710 -11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.952 0.496 -10.393 1.00 0.00 H new ATOM 455 N ASP A 32 19.122 3.589 -9.177 1.00 0.00 N ATOM 456 CA ASP A 32 19.787 4.787 -9.696 1.00 0.00 C ATOM 457 C ASP A 32 21.045 5.084 -8.883 1.00 0.00 C ATOM 458 O ASP A 32 21.159 4.654 -7.717 1.00 0.00 O ATOM 459 CB ASP A 32 18.824 5.971 -9.669 1.00 0.00 C ATOM 460 CG ASP A 32 19.382 7.184 -10.380 1.00 0.00 C ATOM 461 OD1 ASP A 32 19.590 7.101 -11.605 1.00 0.00 O ATOM 462 OD2 ASP A 32 19.630 8.225 -9.728 1.00 0.00 O ATOM 0 H ASP A 32 19.111 3.506 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 32 20.085 4.613 -10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.883 5.681 -10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.600 6.231 -8.634 1.00 0.00 H new ATOM 467 N ASP A 33 21.991 5.798 -9.485 1.00 0.00 N ATOM 468 CA ASP A 33 23.225 6.161 -8.824 1.00 0.00 C ATOM 469 C ASP A 33 23.093 7.563 -8.230 1.00 0.00 C ATOM 470 O ASP A 33 22.808 8.512 -8.962 1.00 0.00 O ATOM 471 CB ASP A 33 24.384 6.110 -9.827 1.00 0.00 C ATOM 472 CG ASP A 33 25.727 6.416 -9.208 1.00 0.00 C ATOM 473 OD1 ASP A 33 26.037 7.607 -8.987 1.00 0.00 O ATOM 474 OD2 ASP A 33 26.491 5.460 -8.941 1.00 0.00 O ATOM 0 H ASP A 33 21.917 6.138 -10.444 1.00 0.00 H new ATOM 0 HA ASP A 33 23.430 5.455 -8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 33 24.419 5.120 -10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 33 24.192 6.822 -10.630 1.00 0.00 H new ATOM 479 N TYR A 34 23.310 7.711 -6.926 1.00 0.00 N ATOM 480 CA TYR A 34 23.098 9.003 -6.274 1.00 0.00 C ATOM 481 C TYR A 34 23.848 9.141 -4.946 1.00 0.00 C ATOM 482 O TYR A 34 23.446 8.554 -3.936 1.00 0.00 O ATOM 483 CB TYR A 34 21.603 9.247 -6.036 1.00 0.00 C ATOM 484 CG TYR A 34 21.289 10.591 -5.413 1.00 0.00 C ATOM 485 CD1 TYR A 34 21.362 11.759 -6.154 1.00 0.00 C ATOM 486 CD2 TYR A 34 20.918 10.707 -4.076 1.00 0.00 C ATOM 487 CE1 TYR A 34 21.069 13.000 -5.590 1.00 0.00 C ATOM 488 CE2 TYR A 34 20.626 11.918 -3.502 1.00 0.00 C ATOM 489 CZ TYR A 34 20.703 13.071 -4.272 1.00 0.00 C ATOM 490 OH TYR A 34 20.426 14.299 -3.721 1.00 0.00 O ATOM 0 H TYR A 34 23.628 6.966 -6.306 1.00 0.00 H new ATOM 0 HA TYR A 34 23.500 9.753 -6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 34 21.077 9.167 -6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 34 21.215 8.459 -5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 34 21.653 11.707 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 34 20.858 9.814 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 34 21.130 13.898 -6.187 1.00 0.00 H new ATOM 0 HE2 TYR A 34 20.339 11.974 -2.462 1.00 0.00 H new ATOM 0 HH TYR A 34 20.180 14.187 -2.779 1.00 0.00 H new ATOM 500 N GLU A 35 24.967 9.883 -4.993 1.00 0.00 N ATOM 501 CA GLU A 35 25.591 10.494 -3.812 1.00 0.00 C ATOM 502 C GLU A 35 26.311 9.495 -2.901 1.00 0.00 C ATOM 503 O GLU A 35 27.265 9.858 -2.206 1.00 0.00 O ATOM 504 CB GLU A 35 24.507 11.253 -3.018 1.00 0.00 C ATOM 505 CG GLU A 35 25.016 12.426 -2.181 1.00 0.00 C ATOM 506 CD GLU A 35 25.487 12.017 -0.799 1.00 0.00 C ATOM 507 OE1 GLU A 35 24.626 11.712 0.058 1.00 0.00 O ATOM 508 OE2 GLU A 35 26.705 12.046 -0.546 1.00 0.00 O ATOM 0 H GLU A 35 25.467 10.076 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 35 26.365 11.173 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 35 23.759 11.625 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 35 24.002 10.548 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 35 25.838 12.910 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 35 24.221 13.165 -2.082 1.00 0.00 H new ATOM 515 N GLU A 36 25.895 8.252 -2.917 1.00 0.00 N ATOM 516 CA GLU A 36 26.340 7.248 -1.953 1.00 0.00 C ATOM 517 C GLU A 36 25.756 5.893 -2.318 1.00 0.00 C ATOM 518 O GLU A 36 26.409 4.870 -2.206 1.00 0.00 O ATOM 519 CB GLU A 36 25.921 7.654 -0.531 1.00 0.00 C ATOM 520 CG GLU A 36 26.268 6.640 0.546 1.00 0.00 C ATOM 521 CD GLU A 36 27.759 6.522 0.806 1.00 0.00 C ATOM 522 OE1 GLU A 36 28.305 7.377 1.524 1.00 0.00 O ATOM 523 OE2 GLU A 36 28.394 5.577 0.290 1.00 0.00 O ATOM 0 H GLU A 36 25.230 7.895 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 36 27.428 7.180 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 36 26.396 8.603 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 36 24.844 7.823 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 36 25.766 6.919 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 36 25.879 5.664 0.255 1.00 0.00 H new ATOM 530 N ILE A 37 24.510 5.919 -2.767 1.00 0.00 N ATOM 531 CA ILE A 37 23.833 4.692 -3.156 1.00 0.00 C ATOM 532 C ILE A 37 23.957 4.475 -4.658 1.00 0.00 C ATOM 533 O ILE A 37 23.978 5.441 -5.443 1.00 0.00 O ATOM 534 CB ILE A 37 22.336 4.728 -2.757 1.00 0.00 C ATOM 535 CG1 ILE A 37 22.180 5.284 -1.339 1.00 0.00 C ATOM 536 CG2 ILE A 37 21.742 3.331 -2.864 1.00 0.00 C ATOM 537 CD1 ILE A 37 22.911 4.473 -0.286 1.00 0.00 C ATOM 0 H ILE A 37 23.952 6.767 -2.870 1.00 0.00 H new ATOM 0 HA ILE A 37 24.311 3.866 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 37 21.797 5.386 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 37 22.549 6.309 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 37 21.120 5.321 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.689 3.361 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.833 2.974 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 37 22.277 2.656 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 37 22.756 4.925 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.526 3.453 -0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 37 23.977 4.457 -0.514 1.00 0.00 H new ATOM 549 N SER A 38 24.034 3.225 -5.070 1.00 0.00 N ATOM 550 CA SER A 38 24.228 2.907 -6.468 1.00 0.00 C ATOM 551 C SER A 38 23.116 2.001 -6.961 1.00 0.00 C ATOM 552 O SER A 38 22.343 1.462 -6.171 1.00 0.00 O ATOM 553 CB SER A 38 25.590 2.232 -6.660 1.00 0.00 C ATOM 554 OG SER A 38 26.623 2.968 -6.020 1.00 0.00 O ATOM 0 H SER A 38 23.965 2.414 -4.455 1.00 0.00 H new ATOM 0 HA SER A 38 24.204 3.829 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.557 1.220 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 38 25.808 2.144 -7.724 1.00 0.00 H new ATOM 0 HG SER A 38 27.481 2.514 -6.157 1.00 0.00 H new ATOM 560 N ALA A 39 23.031 1.849 -8.281 1.00 0.00 N ATOM 561 CA ALA A 39 22.029 0.984 -8.871 1.00 0.00 C ATOM 562 C ALA A 39 22.325 -0.472 -8.535 1.00 0.00 C ATOM 563 O ALA A 39 23.414 -0.965 -8.799 1.00 0.00 O ATOM 564 CB ALA A 39 21.970 1.195 -10.369 1.00 0.00 C ATOM 0 H ALA A 39 23.642 2.313 -8.953 1.00 0.00 H new ATOM 0 HA ALA A 39 21.054 1.237 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 39 21.213 0.539 -10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.713 2.233 -10.580 1.00 0.00 H new ATOM 0 HB3 ALA A 39 22.941 0.965 -10.807 1.00 0.00 H new ATOM 570 N GLY A 40 21.338 -1.144 -7.971 1.00 0.00 N ATOM 571 CA GLY A 40 21.514 -2.540 -7.581 1.00 0.00 C ATOM 572 C GLY A 40 21.641 -2.700 -6.082 1.00 0.00 C ATOM 573 O GLY A 40 21.505 -3.805 -5.572 1.00 0.00 O ATOM 0 H GLY A 40 20.416 -0.756 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.666 -3.125 -7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 40 22.404 -2.942 -8.065 1.00 0.00 H new ATOM 577 N ASP A 41 21.917 -1.599 -5.381 1.00 0.00 N ATOM 578 CA ASP A 41 21.995 -1.623 -3.927 1.00 0.00 C ATOM 579 C ASP A 41 20.595 -1.730 -3.337 1.00 0.00 C ATOM 580 O ASP A 41 19.629 -1.298 -3.929 1.00 0.00 O ATOM 581 CB ASP A 41 22.704 -0.375 -3.396 1.00 0.00 C ATOM 582 CG ASP A 41 24.218 -0.477 -3.509 1.00 0.00 C ATOM 583 OD1 ASP A 41 24.839 -1.195 -2.690 1.00 0.00 O ATOM 584 OD2 ASP A 41 24.787 0.148 -4.417 1.00 0.00 O ATOM 0 H ASP A 41 22.089 -0.684 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 41 22.577 -2.494 -3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 41 22.359 0.499 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.430 -0.221 -2.352 1.00 0.00 H new ATOM 589 N GLU A 42 20.520 -2.304 -2.141 1.00 0.00 N ATOM 590 CA GLU A 42 19.234 -2.520 -1.483 1.00 0.00 C ATOM 591 C GLU A 42 19.282 -2.035 -0.032 1.00 0.00 C ATOM 592 O GLU A 42 20.354 -1.836 0.540 1.00 0.00 O ATOM 593 CB GLU A 42 18.849 -3.995 -1.550 1.00 0.00 C ATOM 594 CG GLU A 42 18.502 -4.463 -2.947 1.00 0.00 C ATOM 595 CD GLU A 42 18.289 -5.969 -3.048 1.00 0.00 C ATOM 596 OE1 GLU A 42 19.269 -6.685 -3.279 1.00 0.00 O ATOM 597 OE2 GLU A 42 17.122 -6.424 -2.932 1.00 0.00 O ATOM 0 H GLU A 42 21.328 -2.627 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 42 18.473 -1.941 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 42 19.674 -4.596 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.997 -4.171 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 42 17.597 -3.953 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 42 19.301 -4.170 -3.629 1.00 0.00 H new ATOM 604 N GLY A 43 18.095 -1.828 0.527 1.00 0.00 N ATOM 605 CA GLY A 43 17.972 -1.400 1.910 1.00 0.00 C ATOM 606 C GLY A 43 16.573 -1.634 2.442 1.00 0.00 C ATOM 607 O GLY A 43 15.753 -2.269 1.780 1.00 0.00 O ATOM 0 H GLY A 43 17.206 -1.950 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.691 -1.941 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.219 -0.341 1.988 1.00 0.00 H new ATOM 611 N GLU A 44 16.291 -1.130 3.630 1.00 0.00 N ATOM 612 CA GLU A 44 14.984 -1.317 4.250 1.00 0.00 C ATOM 613 C GLU A 44 14.278 0.024 4.417 1.00 0.00 C ATOM 614 O GLU A 44 14.923 1.025 4.732 1.00 0.00 O ATOM 615 CB GLU A 44 15.127 -2.021 5.607 1.00 0.00 C ATOM 616 CG GLU A 44 13.783 -2.331 6.261 1.00 0.00 C ATOM 617 CD GLU A 44 13.932 -2.968 7.621 1.00 0.00 C ATOM 618 OE1 GLU A 44 14.038 -2.232 8.612 1.00 0.00 O ATOM 619 OE2 GLU A 44 13.931 -4.216 7.691 1.00 0.00 O ATOM 0 H GLU A 44 16.949 -0.586 4.189 1.00 0.00 H new ATOM 0 HA GLU A 44 14.380 -1.948 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.682 -2.949 5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.715 -1.393 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.209 -1.410 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.213 -2.996 5.613 1.00 0.00 H new ATOM 626 N PHE A 45 12.980 0.021 4.209 1.00 0.00 N ATOM 627 CA PHE A 45 12.205 1.242 4.301 1.00 0.00 C ATOM 628 C PHE A 45 11.729 1.472 5.738 1.00 0.00 C ATOM 629 O PHE A 45 11.089 0.601 6.339 1.00 0.00 O ATOM 630 CB PHE A 45 10.997 1.155 3.368 1.00 0.00 C ATOM 631 CG PHE A 45 9.946 2.192 3.631 1.00 0.00 C ATOM 632 CD1 PHE A 45 10.124 3.498 3.223 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.765 1.849 4.286 1.00 0.00 C ATOM 634 CE1 PHE A 45 9.155 4.447 3.468 1.00 0.00 C ATOM 635 CE2 PHE A 45 7.796 2.794 4.538 1.00 0.00 C ATOM 636 CZ PHE A 45 7.995 4.097 4.128 1.00 0.00 C ATOM 0 H PHE A 45 12.438 -0.811 3.975 1.00 0.00 H new ATOM 0 HA PHE A 45 12.838 2.079 4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.339 1.253 2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.549 0.166 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.030 3.779 2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.608 0.828 4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.304 5.466 3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.887 2.518 5.052 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.241 4.845 4.324 1.00 0.00 H new ATOM 646 N ARG A 46 12.053 2.631 6.307 1.00 0.00 N ATOM 647 CA ARG A 46 11.649 2.929 7.665 1.00 0.00 C ATOM 648 C ARG A 46 10.516 3.956 7.731 1.00 0.00 C ATOM 649 O ARG A 46 9.466 3.693 8.340 1.00 0.00 O ATOM 650 CB ARG A 46 12.847 3.449 8.448 1.00 0.00 C ATOM 651 CG ARG A 46 13.889 2.371 8.745 1.00 0.00 C ATOM 652 CD ARG A 46 15.145 2.970 9.330 1.00 0.00 C ATOM 653 NE ARG A 46 14.904 3.827 10.479 1.00 0.00 N ATOM 654 CZ ARG A 46 15.704 3.906 11.541 1.00 0.00 C ATOM 655 NH1 ARG A 46 16.711 3.041 11.685 1.00 0.00 N ATOM 656 NH2 ARG A 46 15.502 4.828 12.453 1.00 0.00 N ATOM 0 H ARG A 46 12.589 3.368 5.848 1.00 0.00 H new ATOM 0 HA ARG A 46 11.275 2.003 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.318 4.255 7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.500 3.878 9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.473 1.642 9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.132 1.834 7.828 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.818 2.165 9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.655 3.547 8.559 1.00 0.00 H new ATOM 0 HE ARG A 46 14.065 4.407 10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.868 2.319 10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.323 3.102 12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.730 5.487 12.350 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.117 4.885 13.265 1.00 0.00 H new ATOM 670 N GLN A 47 10.719 5.112 7.118 1.00 0.00 N ATOM 671 CA GLN A 47 9.798 6.223 7.315 1.00 0.00 C ATOM 672 C GLN A 47 9.688 7.106 6.071 1.00 0.00 C ATOM 673 O GLN A 47 10.614 7.192 5.272 1.00 0.00 O ATOM 674 CB GLN A 47 10.272 7.055 8.512 1.00 0.00 C ATOM 675 CG GLN A 47 9.342 8.212 8.849 1.00 0.00 C ATOM 676 CD GLN A 47 9.815 8.995 10.058 1.00 0.00 C ATOM 677 OE1 GLN A 47 9.007 9.535 10.805 1.00 0.00 O ATOM 678 NE2 GLN A 47 11.119 9.066 10.257 1.00 0.00 N ATOM 0 H GLN A 47 11.499 5.305 6.490 1.00 0.00 H new ATOM 0 HA GLN A 47 8.805 5.815 7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.363 6.406 9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.267 7.447 8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.271 8.880 7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.340 7.827 9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.759 8.603 9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.486 9.584 11.055 1.00 0.00 H new ATOM 687 N SER A 48 8.542 7.754 5.927 1.00 0.00 N ATOM 688 CA SER A 48 8.343 8.752 4.895 1.00 0.00 C ATOM 689 C SER A 48 7.840 10.051 5.520 1.00 0.00 C ATOM 690 O SER A 48 7.250 10.039 6.594 1.00 0.00 O ATOM 691 CB SER A 48 7.320 8.248 3.873 1.00 0.00 C ATOM 692 OG SER A 48 7.739 7.029 3.318 1.00 0.00 O ATOM 0 H SER A 48 7.728 7.601 6.522 1.00 0.00 H new ATOM 0 HA SER A 48 9.293 8.936 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.350 8.121 4.353 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.191 8.988 3.084 1.00 0.00 H new ATOM 0 HG SER A 48 8.096 6.453 4.026 1.00 0.00 H new ATOM 698 N ASN A 49 8.081 11.173 4.861 1.00 0.00 N ATOM 699 CA ASN A 49 7.557 12.446 5.335 1.00 0.00 C ATOM 700 C ASN A 49 6.123 12.627 4.840 1.00 0.00 C ATOM 701 O ASN A 49 5.590 11.756 4.148 1.00 0.00 O ATOM 702 CB ASN A 49 8.438 13.610 4.863 1.00 0.00 C ATOM 703 CG ASN A 49 9.846 13.542 5.433 1.00 0.00 C ATOM 704 OD1 ASN A 49 10.804 13.927 4.785 1.00 0.00 O ATOM 705 ND2 ASN A 49 9.978 13.061 6.671 1.00 0.00 N ATOM 0 H ASN A 49 8.631 11.230 4.004 1.00 0.00 H new ATOM 0 HA ASN A 49 7.562 12.443 6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.489 13.604 3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.976 14.553 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.901 13.008 7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.156 12.747 7.186 1.00 0.00 H new ATOM 712 N ASN A 50 5.506 13.752 5.211 1.00 0.00 N ATOM 713 CA ASN A 50 4.095 13.974 4.904 1.00 0.00 C ATOM 714 C ASN A 50 3.857 13.998 3.393 1.00 0.00 C ATOM 715 O ASN A 50 3.129 13.159 2.870 1.00 0.00 O ATOM 716 CB ASN A 50 3.596 15.284 5.523 1.00 0.00 C ATOM 717 CG ASN A 50 2.100 15.446 5.418 1.00 0.00 C ATOM 718 OD1 ASN A 50 1.349 14.466 5.470 1.00 0.00 O ATOM 719 ND2 ASN A 50 1.642 16.674 5.273 1.00 0.00 N ATOM 0 H ASN A 50 5.957 14.514 5.718 1.00 0.00 H new ATOM 0 HA ASN A 50 3.535 13.144 5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.888 15.319 6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.084 16.124 5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.638 16.839 5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.292 17.459 5.234 1.00 0.00 H new ATOM 726 N GLY A 51 4.453 14.955 2.706 1.00 0.00 N ATOM 727 CA GLY A 51 4.208 15.070 1.276 1.00 0.00 C ATOM 728 C GLY A 51 5.351 15.722 0.532 1.00 0.00 C ATOM 729 O GLY A 51 5.134 16.358 -0.511 1.00 0.00 O ATOM 0 H GLY A 51 5.092 15.646 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.032 14.077 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.299 15.649 1.114 1.00 0.00 H new ATOM 733 N VAL A 52 6.572 15.565 1.033 1.00 0.00 N ATOM 734 CA VAL A 52 7.739 16.115 0.370 1.00 0.00 C ATOM 735 C VAL A 52 8.581 15.012 -0.287 1.00 0.00 C ATOM 736 O VAL A 52 8.417 13.832 0.036 1.00 0.00 O ATOM 737 CB VAL A 52 8.613 16.939 1.335 1.00 0.00 C ATOM 738 CG1 VAL A 52 7.904 18.229 1.713 1.00 0.00 C ATOM 739 CG2 VAL A 52 8.959 16.132 2.568 1.00 0.00 C ATOM 0 H VAL A 52 6.774 15.061 1.896 1.00 0.00 H new ATOM 0 HA VAL A 52 7.370 16.783 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 52 9.545 17.193 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.531 18.803 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.714 18.816 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.958 17.995 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.576 16.734 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.043 15.844 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.507 15.237 2.275 1.00 0.00 H new ATOM 749 N PRO A 53 9.470 15.388 -1.233 1.00 0.00 N ATOM 750 CA PRO A 53 10.346 14.439 -1.922 1.00 0.00 C ATOM 751 C PRO A 53 11.161 13.517 -1.000 1.00 0.00 C ATOM 752 O PRO A 53 11.267 12.319 -1.282 1.00 0.00 O ATOM 753 CB PRO A 53 11.283 15.319 -2.737 1.00 0.00 C ATOM 754 CG PRO A 53 10.586 16.641 -2.874 1.00 0.00 C ATOM 755 CD PRO A 53 9.635 16.769 -1.729 1.00 0.00 C ATOM 0 HA PRO A 53 9.743 13.748 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.245 15.434 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.482 14.879 -3.714 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.308 17.458 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.053 16.697 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.032 17.425 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.683 17.193 -2.049 1.00 0.00 H new ATOM 763 N PRO A 54 11.792 14.032 0.086 1.00 0.00 N ATOM 764 CA PRO A 54 12.601 13.196 0.984 1.00 0.00 C ATOM 765 C PRO A 54 11.840 11.974 1.548 1.00 0.00 C ATOM 766 O PRO A 54 10.731 12.099 2.081 1.00 0.00 O ATOM 767 CB PRO A 54 12.984 14.134 2.115 1.00 0.00 C ATOM 768 CG PRO A 54 12.935 15.502 1.517 1.00 0.00 C ATOM 769 CD PRO A 54 11.841 15.448 0.493 1.00 0.00 C ATOM 0 HA PRO A 54 13.450 12.771 0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.293 14.045 2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.979 13.906 2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.726 16.256 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.889 15.766 1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.889 15.775 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.057 16.098 -0.355 1.00 0.00 H new ATOM 777 N VAL A 55 12.471 10.824 1.436 1.00 0.00 N ATOM 778 CA VAL A 55 11.976 9.596 2.034 1.00 0.00 C ATOM 779 C VAL A 55 13.109 8.930 2.809 1.00 0.00 C ATOM 780 O VAL A 55 14.235 8.868 2.342 1.00 0.00 O ATOM 781 CB VAL A 55 11.378 8.620 0.985 1.00 0.00 C ATOM 782 CG1 VAL A 55 12.424 8.136 -0.008 1.00 0.00 C ATOM 783 CG2 VAL A 55 10.689 7.438 1.659 1.00 0.00 C ATOM 0 H VAL A 55 13.347 10.711 0.925 1.00 0.00 H new ATOM 0 HA VAL A 55 11.161 9.853 2.710 1.00 0.00 H new ATOM 0 HB VAL A 55 10.629 9.180 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.960 7.456 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.844 8.990 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.219 7.615 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.281 6.773 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.412 6.894 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.881 7.802 2.294 1.00 0.00 H new ATOM 793 N GLN A 56 12.813 8.437 3.999 1.00 0.00 N ATOM 794 CA GLN A 56 13.857 7.956 4.894 1.00 0.00 C ATOM 795 C GLN A 56 13.994 6.439 4.798 1.00 0.00 C ATOM 796 O GLN A 56 13.127 5.681 5.248 1.00 0.00 O ATOM 797 CB GLN A 56 13.521 8.348 6.323 1.00 0.00 C ATOM 798 CG GLN A 56 14.551 7.884 7.326 1.00 0.00 C ATOM 799 CD GLN A 56 14.241 8.368 8.725 1.00 0.00 C ATOM 800 OE1 GLN A 56 13.509 7.717 9.476 1.00 0.00 O ATOM 801 NE2 GLN A 56 14.791 9.508 9.098 1.00 0.00 N ATOM 0 H GLN A 56 11.865 8.358 4.368 1.00 0.00 H new ATOM 0 HA GLN A 56 14.804 8.409 4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.428 9.432 6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.550 7.930 6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.596 6.795 7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.535 8.245 7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.391 10.020 8.452 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.616 9.877 10.033 1.00 0.00 H new ATOM 810 N VAL A 57 15.094 6.016 4.210 1.00 0.00 N ATOM 811 CA VAL A 57 15.370 4.613 3.989 1.00 0.00 C ATOM 812 C VAL A 57 16.672 4.211 4.678 1.00 0.00 C ATOM 813 O VAL A 57 17.642 4.978 4.672 1.00 0.00 O ATOM 814 CB VAL A 57 15.461 4.291 2.479 1.00 0.00 C ATOM 815 CG1 VAL A 57 15.829 2.845 2.217 1.00 0.00 C ATOM 816 CG2 VAL A 57 14.166 4.652 1.787 1.00 0.00 C ATOM 0 H VAL A 57 15.826 6.640 3.870 1.00 0.00 H new ATOM 0 HA VAL A 57 14.545 4.043 4.415 1.00 0.00 H new ATOM 0 HB VAL A 57 16.266 4.899 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.880 2.671 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.799 2.629 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.074 2.192 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.244 4.420 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.348 4.079 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.971 5.717 1.912 1.00 0.00 H new ATOM 826 N PHE A 58 16.684 3.044 5.300 1.00 0.00 N ATOM 827 CA PHE A 58 17.895 2.525 5.928 1.00 0.00 C ATOM 828 C PHE A 58 18.621 1.644 4.923 1.00 0.00 C ATOM 829 O PHE A 58 18.152 0.555 4.591 1.00 0.00 O ATOM 830 CB PHE A 58 17.566 1.735 7.209 1.00 0.00 C ATOM 831 CG PHE A 58 18.780 1.180 7.890 1.00 0.00 C ATOM 832 CD1 PHE A 58 19.562 1.994 8.693 1.00 0.00 C ATOM 833 CD2 PHE A 58 19.144 -0.157 7.747 1.00 0.00 C ATOM 834 CE1 PHE A 58 20.687 1.503 9.341 1.00 0.00 C ATOM 835 CE2 PHE A 58 20.267 -0.657 8.384 1.00 0.00 C ATOM 836 CZ PHE A 58 21.036 0.177 9.176 1.00 0.00 C ATOM 0 H PHE A 58 15.870 2.435 5.385 1.00 0.00 H new ATOM 0 HA PHE A 58 18.535 3.357 6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.034 2.386 7.903 1.00 0.00 H new ATOM 0 HB3 PHE A 58 16.891 0.916 6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.291 3.032 8.817 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.543 -0.811 7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 58 21.283 2.151 9.967 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.542 -1.694 8.263 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.915 -0.212 9.669 1.00 0.00 H new ATOM 846 N TRP A 59 19.741 2.114 4.445 1.00 0.00 N ATOM 847 CA TRP A 59 20.474 1.385 3.426 1.00 0.00 C ATOM 848 C TRP A 59 21.442 0.428 4.095 1.00 0.00 C ATOM 849 O TRP A 59 22.370 0.843 4.777 1.00 0.00 O ATOM 850 CB TRP A 59 21.189 2.348 2.490 1.00 0.00 C ATOM 851 CG TRP A 59 20.234 3.146 1.650 1.00 0.00 C ATOM 852 CD1 TRP A 59 19.842 4.429 1.853 1.00 0.00 C ATOM 853 CD2 TRP A 59 19.542 2.685 0.484 1.00 0.00 C ATOM 854 NE1 TRP A 59 18.946 4.800 0.875 1.00 0.00 N ATOM 855 CE2 TRP A 59 18.745 3.743 0.030 1.00 0.00 C ATOM 856 CE3 TRP A 59 19.515 1.476 -0.212 1.00 0.00 C ATOM 857 CZ2 TRP A 59 17.936 3.647 -1.088 1.00 0.00 C ATOM 858 CZ3 TRP A 59 18.706 1.373 -1.320 1.00 0.00 C ATOM 859 CH2 TRP A 59 17.930 2.455 -1.756 1.00 0.00 C ATOM 0 H TRP A 59 20.170 2.992 4.737 1.00 0.00 H new ATOM 0 HA TRP A 59 19.780 0.805 2.818 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.808 3.027 3.076 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.860 1.787 1.839 1.00 0.00 H new ATOM 0 HD1 TRP A 59 20.181 5.063 2.659 1.00 0.00 H new ATOM 0 HE1 TRP A 59 18.504 5.715 0.794 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.116 0.639 0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 17.334 4.480 -1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 18.668 0.441 -1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 59 17.315 2.345 -2.637 1.00 0.00 H new ATOM 870 N GLU A 60 21.220 -0.856 3.850 1.00 0.00 N ATOM 871 CA GLU A 60 22.004 -1.901 4.479 1.00 0.00 C ATOM 872 C GLU A 60 23.402 -1.932 3.884 1.00 0.00 C ATOM 873 O GLU A 60 24.341 -2.444 4.496 1.00 0.00 O ATOM 874 CB GLU A 60 21.319 -3.263 4.281 1.00 0.00 C ATOM 875 CG GLU A 60 21.045 -3.589 2.821 1.00 0.00 C ATOM 876 CD GLU A 60 20.287 -4.881 2.643 1.00 0.00 C ATOM 877 OE1 GLU A 60 19.043 -4.857 2.608 1.00 0.00 O ATOM 878 OE2 GLU A 60 20.936 -5.939 2.494 1.00 0.00 O ATOM 0 H GLU A 60 20.498 -1.197 3.215 1.00 0.00 H new ATOM 0 HA GLU A 60 22.078 -1.693 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 60 21.947 -4.044 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 60 20.378 -3.273 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.476 -2.775 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 60 21.991 -3.651 2.284 1.00 0.00 H new ATOM 885 N SER A 61 23.526 -1.350 2.706 1.00 0.00 N ATOM 886 CA SER A 61 24.809 -1.263 2.005 1.00 0.00 C ATOM 887 C SER A 61 25.766 -0.342 2.756 1.00 0.00 C ATOM 888 O SER A 61 26.924 -0.683 2.977 1.00 0.00 O ATOM 889 CB SER A 61 24.572 -0.761 0.582 1.00 0.00 C ATOM 890 OG SER A 61 25.738 -0.921 -0.212 1.00 0.00 O ATOM 0 H SER A 61 22.748 -0.923 2.203 1.00 0.00 H new ATOM 0 HA SER A 61 25.266 -2.251 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.743 -1.308 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 61 24.285 0.290 0.606 1.00 0.00 H new ATOM 0 HG SER A 61 25.508 -0.807 -1.158 1.00 0.00 H new ATOM 896 N THR A 62 25.265 0.817 3.177 1.00 0.00 N ATOM 897 CA THR A 62 26.079 1.793 3.891 1.00 0.00 C ATOM 898 C THR A 62 25.945 1.608 5.400 1.00 0.00 C ATOM 899 O THR A 62 26.849 1.946 6.151 1.00 0.00 O ATOM 900 CB THR A 62 25.654 3.227 3.528 1.00 0.00 C ATOM 901 OG1 THR A 62 25.336 3.290 2.138 1.00 0.00 O ATOM 902 CG2 THR A 62 26.773 4.223 3.841 1.00 0.00 C ATOM 0 H THR A 62 24.296 1.102 3.035 1.00 0.00 H new ATOM 0 HA THR A 62 27.116 1.634 3.595 1.00 0.00 H new ATOM 0 HB THR A 62 24.779 3.491 4.123 1.00 0.00 H new ATOM 0 HG1 THR A 62 25.064 4.202 1.906 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.449 5.229 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 62 27.006 4.185 4.905 1.00 0.00 H new ATOM 0 HG23 THR A 62 27.662 3.965 3.265 1.00 0.00 H new ATOM 910 N GLY A 63 24.834 1.058 5.833 1.00 0.00 N ATOM 911 CA GLY A 63 24.569 0.910 7.238 1.00 0.00 C ATOM 912 C GLY A 63 24.103 2.198 7.862 1.00 0.00 C ATOM 913 O GLY A 63 24.311 2.434 9.055 1.00 0.00 O ATOM 0 H GLY A 63 24.096 0.704 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 63 23.811 0.141 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 63 25.472 0.568 7.743 1.00 0.00 H new ATOM 917 N ARG A 64 23.475 3.024 7.050 1.00 0.00 N ATOM 918 CA ARG A 64 23.034 4.355 7.477 1.00 0.00 C ATOM 919 C ARG A 64 21.632 4.657 6.999 1.00 0.00 C ATOM 920 O ARG A 64 21.162 4.073 6.029 1.00 0.00 O ATOM 921 CB ARG A 64 23.989 5.430 6.943 1.00 0.00 C ATOM 922 CG ARG A 64 25.373 5.416 7.588 1.00 0.00 C ATOM 923 CD ARG A 64 25.287 5.763 9.057 1.00 0.00 C ATOM 924 NE ARG A 64 26.605 5.940 9.663 1.00 0.00 N ATOM 925 CZ ARG A 64 26.786 6.391 10.905 1.00 0.00 C ATOM 926 NH1 ARG A 64 25.766 6.682 11.681 1.00 0.00 N ATOM 927 NH2 ARG A 64 28.023 6.566 11.382 1.00 0.00 N ATOM 0 H ARG A 64 23.253 2.802 6.080 1.00 0.00 H new ATOM 0 HA ARG A 64 23.039 4.364 8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.101 5.298 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.538 6.410 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.824 4.431 7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 64 26.023 6.128 7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 64 24.708 6.678 9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 64 24.750 4.974 9.584 1.00 0.00 H new ATOM 0 HE ARG A 64 27.428 5.707 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 64 24.813 6.564 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 64 25.927 7.026 12.628 1.00 0.00 H new ATOM 0 HH21 ARG A 64 28.830 6.354 10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 64 28.159 6.911 12.332 1.00 0.00 H new ATOM 941 N THR A 65 20.953 5.560 7.688 1.00 0.00 N ATOM 942 CA THR A 65 19.679 6.082 7.243 1.00 0.00 C ATOM 943 C THR A 65 19.912 7.224 6.242 1.00 0.00 C ATOM 944 O THR A 65 20.769 8.074 6.433 1.00 0.00 O ATOM 945 CB THR A 65 18.826 6.584 8.425 1.00 0.00 C ATOM 946 OG1 THR A 65 19.665 7.203 9.407 1.00 0.00 O ATOM 947 CG2 THR A 65 18.057 5.426 9.050 1.00 0.00 C ATOM 0 H THR A 65 21.274 5.950 8.574 1.00 0.00 H new ATOM 0 HA THR A 65 19.132 5.273 6.760 1.00 0.00 H new ATOM 0 HB THR A 65 18.112 7.319 8.055 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.115 7.521 10.154 1.00 0.00 H new ATOM 0 HG21 THR A 65 17.459 5.794 9.883 1.00 0.00 H new ATOM 0 HG22 THR A 65 17.402 4.979 8.303 1.00 0.00 H new ATOM 0 HG23 THR A 65 18.760 4.676 9.412 1.00 0.00 H new ATOM 955 N TYR A 66 19.149 7.212 5.165 1.00 0.00 N ATOM 956 CA TYR A 66 19.344 8.193 4.110 1.00 0.00 C ATOM 957 C TYR A 66 18.004 8.642 3.542 1.00 0.00 C ATOM 958 O TYR A 66 17.053 7.863 3.502 1.00 0.00 O ATOM 959 CB TYR A 66 20.241 7.602 3.017 1.00 0.00 C ATOM 960 CG TYR A 66 20.723 8.620 2.017 1.00 0.00 C ATOM 961 CD1 TYR A 66 21.629 9.604 2.399 1.00 0.00 C ATOM 962 CD2 TYR A 66 20.283 8.611 0.703 1.00 0.00 C ATOM 963 CE1 TYR A 66 22.077 10.543 1.510 1.00 0.00 C ATOM 964 CE2 TYR A 66 20.725 9.562 -0.200 1.00 0.00 C ATOM 965 CZ TYR A 66 21.627 10.520 0.209 1.00 0.00 C ATOM 966 OH TYR A 66 22.075 11.465 -0.676 1.00 0.00 O ATOM 0 H TYR A 66 18.397 6.544 4.997 1.00 0.00 H new ATOM 0 HA TYR A 66 19.836 9.073 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 66 21.104 7.127 3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 66 19.692 6.820 2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 66 21.986 9.627 3.418 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.586 7.852 0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 66 22.780 11.299 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 66 20.365 9.553 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 66 23.018 11.661 -0.496 1.00 0.00 H new ATOM 976 N TRP A 67 17.939 9.899 3.127 1.00 0.00 N ATOM 977 CA TRP A 67 16.746 10.439 2.498 1.00 0.00 C ATOM 978 C TRP A 67 16.895 10.425 0.989 1.00 0.00 C ATOM 979 O TRP A 67 17.740 11.122 0.427 1.00 0.00 O ATOM 980 CB TRP A 67 16.463 11.856 3.010 1.00 0.00 C ATOM 981 CG TRP A 67 16.061 11.894 4.451 1.00 0.00 C ATOM 982 CD1 TRP A 67 14.794 11.863 4.948 1.00 0.00 C ATOM 983 CD2 TRP A 67 16.934 11.981 5.581 1.00 0.00 C ATOM 984 NE1 TRP A 67 14.832 11.918 6.331 1.00 0.00 N ATOM 985 CE2 TRP A 67 16.136 11.991 6.739 1.00 0.00 C ATOM 986 CE3 TRP A 67 18.330 12.028 5.735 1.00 0.00 C ATOM 987 CZ2 TRP A 67 16.676 12.062 8.017 1.00 0.00 C ATOM 988 CZ3 TRP A 67 18.859 12.100 7.002 1.00 0.00 C ATOM 989 CH2 TRP A 67 18.032 12.130 8.124 1.00 0.00 C ATOM 0 H TRP A 67 18.705 10.567 3.216 1.00 0.00 H new ATOM 0 HA TRP A 67 15.896 9.810 2.762 1.00 0.00 H new ATOM 0 HB2 TRP A 67 17.353 12.470 2.872 1.00 0.00 H new ATOM 0 HB3 TRP A 67 15.672 12.302 2.407 1.00 0.00 H new ATOM 0 HD1 TRP A 67 13.895 11.804 4.353 1.00 0.00 H new ATOM 0 HE1 TRP A 67 14.019 11.906 6.947 1.00 0.00 H new ATOM 0 HE3 TRP A 67 18.978 12.008 4.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 16.044 12.063 8.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 19.931 12.134 7.130 1.00 0.00 H new ATOM 0 HH2 TRP A 67 18.479 12.209 9.104 1.00 0.00 H new ATOM 1000 N VAL A 68 16.058 9.641 0.331 1.00 0.00 N ATOM 1001 CA VAL A 68 16.112 9.487 -1.114 1.00 0.00 C ATOM 1002 C VAL A 68 14.838 10.059 -1.728 1.00 0.00 C ATOM 1003 O VAL A 68 14.002 10.590 -1.023 1.00 0.00 O ATOM 1004 CB VAL A 68 16.251 7.996 -1.503 1.00 0.00 C ATOM 1005 CG1 VAL A 68 17.022 7.820 -2.801 1.00 0.00 C ATOM 1006 CG2 VAL A 68 16.913 7.200 -0.397 1.00 0.00 C ATOM 0 H VAL A 68 15.324 9.095 0.781 1.00 0.00 H new ATOM 0 HA VAL A 68 16.982 10.024 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 68 15.241 7.615 -1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.097 6.759 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.500 8.336 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.022 8.239 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.997 6.156 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.907 7.603 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.312 7.268 0.510 1.00 0.00 H new ATOM 1016 N HIS A 69 14.697 9.975 -3.050 1.00 0.00 N ATOM 1017 CA HIS A 69 13.435 10.359 -3.683 1.00 0.00 C ATOM 1018 C HIS A 69 12.593 9.118 -3.962 1.00 0.00 C ATOM 1019 O HIS A 69 13.116 8.098 -4.417 1.00 0.00 O ATOM 1020 CB HIS A 69 13.704 11.115 -4.995 1.00 0.00 C ATOM 1021 CG HIS A 69 14.522 12.358 -4.830 1.00 0.00 C ATOM 1022 ND1 HIS A 69 15.488 12.765 -5.743 1.00 0.00 N ATOM 1023 CD2 HIS A 69 14.508 13.301 -3.865 1.00 0.00 C ATOM 1024 CE1 HIS A 69 16.017 13.890 -5.345 1.00 0.00 C ATOM 1025 NE2 HIS A 69 15.444 14.255 -4.213 1.00 0.00 N ATOM 0 H HIS A 69 15.422 9.653 -3.691 1.00 0.00 H new ATOM 0 HA HIS A 69 12.890 11.016 -3.005 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.215 10.447 -5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.750 11.379 -5.451 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.882 13.308 -2.985 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.796 14.434 -5.858 1.00 0.00 H new ATOM 0 HE2 HIS A 69 15.657 15.101 -3.684 1.00 0.00 H new ATOM 1034 N TRP A 70 11.303 9.208 -3.670 1.00 0.00 N ATOM 1035 CA TRP A 70 10.342 8.118 -3.903 1.00 0.00 C ATOM 1036 C TRP A 70 10.507 7.473 -5.285 1.00 0.00 C ATOM 1037 O TRP A 70 10.628 6.265 -5.405 1.00 0.00 O ATOM 1038 CB TRP A 70 8.907 8.640 -3.801 1.00 0.00 C ATOM 1039 CG TRP A 70 8.604 9.381 -2.538 1.00 0.00 C ATOM 1040 CD1 TRP A 70 9.047 10.611 -2.185 1.00 0.00 C ATOM 1041 CD2 TRP A 70 7.746 8.950 -1.483 1.00 0.00 C ATOM 1042 NE1 TRP A 70 8.547 10.962 -0.965 1.00 0.00 N ATOM 1043 CE2 TRP A 70 7.748 9.962 -0.516 1.00 0.00 C ATOM 1044 CE3 TRP A 70 6.983 7.804 -1.250 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 7.011 9.875 0.663 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 6.250 7.715 -0.079 1.00 0.00 C ATOM 1047 CH2 TRP A 70 6.271 8.747 0.863 1.00 0.00 C ATOM 0 H TRP A 70 10.882 10.042 -3.261 1.00 0.00 H new ATOM 0 HA TRP A 70 10.543 7.369 -3.137 1.00 0.00 H new ATOM 0 HB2 TRP A 70 8.712 9.297 -4.648 1.00 0.00 H new ATOM 0 HB3 TRP A 70 8.221 7.798 -3.886 1.00 0.00 H new ATOM 0 HD1 TRP A 70 9.702 11.226 -2.784 1.00 0.00 H new ATOM 0 HE1 TRP A 70 8.742 11.833 -0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 70 6.965 7.000 -1.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 7.025 10.672 1.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 5.653 6.835 0.109 1.00 0.00 H new ATOM 0 HH2 TRP A 70 5.689 8.649 1.768 1.00 0.00 H new ATOM 1058 N HIS A 71 10.513 8.310 -6.319 1.00 0.00 N ATOM 1059 CA HIS A 71 10.457 7.816 -7.701 1.00 0.00 C ATOM 1060 C HIS A 71 11.767 7.154 -8.160 1.00 0.00 C ATOM 1061 O HIS A 71 11.833 6.621 -9.266 1.00 0.00 O ATOM 1062 CB HIS A 71 10.089 8.955 -8.652 1.00 0.00 C ATOM 1063 CG HIS A 71 11.184 9.985 -8.842 1.00 0.00 C ATOM 1064 ND1 HIS A 71 12.189 9.850 -9.780 1.00 0.00 N ATOM 1065 CD2 HIS A 71 11.407 11.162 -8.222 1.00 0.00 C ATOM 1066 CE1 HIS A 71 12.982 10.910 -9.728 1.00 0.00 C ATOM 1067 NE2 HIS A 71 12.528 11.719 -8.783 1.00 0.00 N ATOM 0 H HIS A 71 10.556 9.325 -6.233 1.00 0.00 H new ATOM 0 HA HIS A 71 9.687 7.044 -7.725 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.830 8.533 -9.623 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.197 9.455 -8.274 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.811 11.588 -7.428 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.848 11.084 -10.349 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.944 12.611 -8.516 1.00 0.00 H new ATOM 1076 N MET A 72 12.816 7.206 -7.349 1.00 0.00 N ATOM 1077 CA MET A 72 14.113 6.672 -7.761 1.00 0.00 C ATOM 1078 C MET A 72 14.431 5.375 -7.020 1.00 0.00 C ATOM 1079 O MET A 72 15.588 4.929 -6.993 1.00 0.00 O ATOM 1080 CB MET A 72 15.213 7.707 -7.531 1.00 0.00 C ATOM 1081 CG MET A 72 15.572 7.928 -6.077 1.00 0.00 C ATOM 1082 SD MET A 72 16.507 9.449 -5.817 1.00 0.00 S ATOM 1083 CE MET A 72 17.879 9.213 -6.942 1.00 0.00 C ATOM 0 H MET A 72 12.798 7.607 -6.411 1.00 0.00 H new ATOM 0 HA MET A 72 14.065 6.447 -8.827 1.00 0.00 H new ATOM 0 HB2 MET A 72 16.107 7.394 -8.070 1.00 0.00 H new ATOM 0 HB3 MET A 72 14.897 8.657 -7.963 1.00 0.00 H new ATOM 0 HG2 MET A 72 14.659 7.961 -5.482 1.00 0.00 H new ATOM 0 HG3 MET A 72 16.156 7.081 -5.718 1.00 0.00 H new ATOM 0 HE1 MET A 72 18.807 9.502 -6.449 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.934 8.164 -7.233 1.00 0.00 H new ATOM 0 HE3 MET A 72 17.732 9.829 -7.829 1.00 0.00 H new ATOM 1093 N LEU A 73 13.405 4.731 -6.469 1.00 0.00 N ATOM 1094 CA LEU A 73 13.612 3.468 -5.783 1.00 0.00 C ATOM 1095 C LEU A 73 12.534 2.449 -6.156 1.00 0.00 C ATOM 1096 O LEU A 73 11.424 2.818 -6.560 1.00 0.00 O ATOM 1097 CB LEU A 73 13.648 3.694 -4.260 1.00 0.00 C ATOM 1098 CG LEU A 73 12.453 4.422 -3.654 1.00 0.00 C ATOM 1099 CD1 LEU A 73 11.290 3.484 -3.378 1.00 0.00 C ATOM 1100 CD2 LEU A 73 12.873 5.142 -2.359 1.00 0.00 C ATOM 0 H LEU A 73 12.439 5.059 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 73 14.572 3.060 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.740 2.723 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 73 14.549 4.258 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 73 12.113 5.155 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.462 4.047 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.967 3.021 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.605 2.710 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.012 5.659 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.248 4.412 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.657 5.866 -2.583 1.00 0.00 H new ATOM 1112 N GLU A 74 12.878 1.172 -6.033 1.00 0.00 N ATOM 1113 CA GLU A 74 11.969 0.077 -6.312 1.00 0.00 C ATOM 1114 C GLU A 74 11.410 -0.509 -5.022 1.00 0.00 C ATOM 1115 O GLU A 74 12.133 -0.654 -4.030 1.00 0.00 O ATOM 1116 CB GLU A 74 12.693 -0.998 -7.108 1.00 0.00 C ATOM 1117 CG GLU A 74 12.761 -0.716 -8.588 1.00 0.00 C ATOM 1118 CD GLU A 74 11.441 -0.952 -9.296 1.00 0.00 C ATOM 1119 OE1 GLU A 74 10.478 -0.199 -9.051 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.359 -1.898 -10.110 1.00 0.00 O ATOM 0 H GLU A 74 13.805 0.870 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 74 11.133 0.459 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.706 -1.104 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.191 -1.953 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.070 0.318 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.527 -1.348 -9.038 1.00 0.00 H new ATOM 1127 N ILE A 75 10.144 -0.851 -5.028 1.00 0.00 N ATOM 1128 CA ILE A 75 9.500 -1.445 -3.867 1.00 0.00 C ATOM 1129 C ILE A 75 9.521 -2.963 -3.982 1.00 0.00 C ATOM 1130 O ILE A 75 9.061 -3.549 -4.957 1.00 0.00 O ATOM 1131 CB ILE A 75 8.039 -0.902 -3.706 1.00 0.00 C ATOM 1132 CG1 ILE A 75 7.403 -1.382 -2.393 1.00 0.00 C ATOM 1133 CG2 ILE A 75 7.157 -1.261 -4.890 1.00 0.00 C ATOM 1134 CD1 ILE A 75 6.818 -2.798 -2.447 1.00 0.00 C ATOM 0 H ILE A 75 9.528 -0.729 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 75 10.053 -1.164 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 75 8.114 0.185 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.155 -1.344 -1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.612 -0.687 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.155 -0.863 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.578 -0.833 -5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.105 -2.345 -4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.391 -3.052 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.040 -2.841 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.607 -3.508 -2.694 1.00 0.00 H new ATOM 1146 N LEU A 76 10.135 -3.607 -2.997 1.00 0.00 N ATOM 1147 CA LEU A 76 10.183 -5.070 -2.961 1.00 0.00 C ATOM 1148 C LEU A 76 9.064 -5.610 -2.094 1.00 0.00 C ATOM 1149 O LEU A 76 8.248 -6.418 -2.540 1.00 0.00 O ATOM 1150 CB LEU A 76 11.527 -5.578 -2.434 1.00 0.00 C ATOM 1151 CG LEU A 76 12.660 -5.626 -3.470 1.00 0.00 C ATOM 1152 CD1 LEU A 76 12.291 -6.526 -4.619 1.00 0.00 C ATOM 1153 CD2 LEU A 76 12.995 -4.229 -3.964 1.00 0.00 C ATOM 0 H LEU A 76 10.604 -3.147 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 76 10.060 -5.426 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.839 -4.940 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.385 -6.580 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 76 13.547 -6.037 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.107 -6.546 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.110 -7.535 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.389 -6.150 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.800 -4.286 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.113 -3.786 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.313 -3.612 -3.123 1.00 0.00 H new ATOM 1165 N GLY A 77 9.024 -5.154 -0.845 1.00 0.00 N ATOM 1166 CA GLY A 77 8.021 -5.651 0.078 1.00 0.00 C ATOM 1167 C GLY A 77 8.479 -6.907 0.782 1.00 0.00 C ATOM 1168 O GLY A 77 9.503 -6.911 1.466 1.00 0.00 O ATOM 0 H GLY A 77 9.661 -4.457 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.794 -4.882 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.097 -5.854 -0.464 1.00 0.00 H new ATOM 1172 N PHE A 78 7.729 -7.978 0.619 1.00 0.00 N ATOM 1173 CA PHE A 78 8.071 -9.289 1.164 1.00 0.00 C ATOM 1174 C PHE A 78 7.775 -10.379 0.140 1.00 0.00 C ATOM 1175 O PHE A 78 8.584 -10.641 -0.742 1.00 0.00 O ATOM 1176 CB PHE A 78 7.323 -9.571 2.483 1.00 0.00 C ATOM 1177 CG PHE A 78 7.773 -8.732 3.648 1.00 0.00 C ATOM 1178 CD1 PHE A 78 8.990 -8.980 4.256 1.00 0.00 C ATOM 1179 CD2 PHE A 78 6.981 -7.699 4.119 1.00 0.00 C ATOM 1180 CE1 PHE A 78 9.417 -8.204 5.321 1.00 0.00 C ATOM 1181 CE2 PHE A 78 7.407 -6.931 5.185 1.00 0.00 C ATOM 1182 CZ PHE A 78 8.624 -7.177 5.791 1.00 0.00 C ATOM 0 H PHE A 78 6.852 -7.969 0.098 1.00 0.00 H new ATOM 0 HA PHE A 78 9.138 -9.289 1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.257 -9.407 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.449 -10.623 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.613 -9.786 3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.029 -7.493 3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 78 10.372 -8.403 5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.782 -6.129 5.549 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.951 -6.572 6.624 1.00 0.00 H new ATOM 1192 N GLU A 79 6.564 -10.965 0.252 1.00 0.00 N ATOM 1193 CA GLU A 79 6.069 -11.957 -0.692 1.00 0.00 C ATOM 1194 C GLU A 79 6.870 -13.258 -0.676 1.00 0.00 C ATOM 1195 O GLU A 79 6.353 -14.318 -0.324 1.00 0.00 O ATOM 1196 CB GLU A 79 6.000 -11.382 -2.108 1.00 0.00 C ATOM 1197 CG GLU A 79 4.872 -10.357 -2.333 1.00 0.00 C ATOM 1198 CD GLU A 79 4.962 -9.169 -1.395 1.00 0.00 C ATOM 1199 OE1 GLU A 79 5.889 -8.347 -1.554 1.00 0.00 O ATOM 1200 OE2 GLU A 79 4.108 -9.042 -0.488 1.00 0.00 O ATOM 0 H GLU A 79 5.910 -10.754 1.006 1.00 0.00 H new ATOM 0 HA GLU A 79 5.061 -12.210 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.954 -10.909 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.872 -12.203 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.908 -10.004 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.908 -10.848 -2.198 1.00 0.00 H new ATOM 1207 N GLU A 80 8.146 -13.150 -1.046 1.00 0.00 N ATOM 1208 CA GLU A 80 9.043 -14.291 -1.067 1.00 0.00 C ATOM 1209 C GLU A 80 9.185 -14.883 0.327 1.00 0.00 C ATOM 1210 O GLU A 80 8.959 -16.071 0.542 1.00 0.00 O ATOM 1211 CB GLU A 80 10.406 -13.877 -1.613 1.00 0.00 C ATOM 1212 CG GLU A 80 11.345 -15.033 -1.901 1.00 0.00 C ATOM 1213 CD GLU A 80 12.624 -14.564 -2.548 1.00 0.00 C ATOM 1214 OE1 GLU A 80 12.554 -13.816 -3.559 1.00 0.00 O ATOM 1215 OE2 GLU A 80 13.709 -14.959 -2.086 1.00 0.00 O ATOM 0 H GLU A 80 8.579 -12.273 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 80 8.622 -15.054 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.258 -13.308 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.883 -13.208 -0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.577 -15.554 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.849 -15.751 -2.554 1.00 0.00 H new TER 1222 GLU A 80