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 34 TYR OH : rot 180:sc= -0.381 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.429 K(o=-0.81,f=0.52) USER MOD Set 2.1: A 47 GLN : amide:sc= 0.448 K(o=0.89,f=0.031) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.44 K(o=0.89,f=-1.3) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.26! K(o=-1.3!,f=-2.6) USER MOD Set 3.2: A 26 MET CE :methyl -102:sc=-0.00927 (180deg=-0.318) USER MOD Set 4.1: A 4 MET CE :methyl -112:sc= -1.83 (180deg=-4.85!) USER MOD Set 4.2: A 6 SER OG : rot -156:sc= 1.31 USER MOD Single : A 10 SER OG : rot -40:sc= 0.336 USER MOD Single : A 12 ASN : amide:sc= 0.0722 K(o=0.072,f=-5.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00291 USER MOD Single : A 14 TYR OH : rot -166:sc= -1.56! USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 177:sc= 0.0696 USER MOD Single : A 30 MET CE :methyl -138:sc= -0.817 (180deg=-2.99!) USER MOD Single : A 38 SER OG : rot 51:sc= 1.09 USER MOD Single : A 48 SER OG : rot 32:sc= 0.0461 USER MOD Single : A 50 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.13) USER MOD Single : A 56 GLN : amide:sc= -2.66! C(o=-2.7!,f=-4.3!) USER MOD Single : A 61 SER OG : rot -130:sc= 1.3 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.00092) USER MOD Single : A 72 MET CE :methyl 158:sc= -0.295 (180deg=-0.924) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 14.169 5.038 -16.257 1.00 0.00 N ATOM 2 CA MET A 4 13.616 4.297 -15.138 1.00 0.00 C ATOM 3 C MET A 4 12.194 3.870 -15.460 1.00 0.00 C ATOM 4 O MET A 4 11.613 4.348 -16.427 1.00 0.00 O ATOM 5 CB MET A 4 13.611 5.157 -13.858 1.00 0.00 C ATOM 6 CG MET A 4 14.985 5.576 -13.384 1.00 0.00 C ATOM 7 SD MET A 4 14.937 6.741 -12.014 1.00 0.00 S ATOM 8 CE MET A 4 14.114 5.768 -10.764 1.00 0.00 C ATOM 0 HA MET A 4 14.239 3.419 -14.968 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.013 6.051 -14.037 1.00 0.00 H new ATOM 0 HB3 MET A 4 13.119 4.599 -13.061 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.543 4.690 -13.080 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.528 6.025 -14.216 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.127 6.188 -10.567 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.009 4.741 -11.113 1.00 0.00 H new ATOM 0 HE3 MET A 4 14.703 5.781 -9.847 1.00 0.00 H new ATOM 18 N ARG A 5 11.630 2.987 -14.639 1.00 0.00 N ATOM 19 CA ARG A 5 10.232 2.604 -14.787 1.00 0.00 C ATOM 20 C ARG A 5 9.340 3.803 -14.510 1.00 0.00 C ATOM 21 O ARG A 5 8.238 3.924 -15.040 1.00 0.00 O ATOM 22 CB ARG A 5 9.866 1.445 -13.857 1.00 0.00 C ATOM 23 CG ARG A 5 10.555 0.129 -14.190 1.00 0.00 C ATOM 24 CD ARG A 5 11.967 0.078 -13.632 1.00 0.00 C ATOM 25 NE ARG A 5 12.682 -1.119 -14.044 1.00 0.00 N ATOM 26 CZ ARG A 5 13.443 -1.854 -13.224 1.00 0.00 C ATOM 27 NH1 ARG A 5 13.483 -1.590 -11.927 1.00 0.00 N ATOM 28 NH2 ARG A 5 14.122 -2.878 -13.705 1.00 0.00 N ATOM 0 H ARG A 5 12.117 2.527 -13.870 1.00 0.00 H new ATOM 0 HA ARG A 5 10.079 2.266 -15.812 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.117 1.723 -12.833 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.787 1.295 -13.891 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.973 -0.699 -13.785 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.586 -0.002 -15.272 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.518 0.959 -13.962 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.926 0.117 -12.543 1.00 0.00 H new ATOM 0 HE ARG A 5 12.599 -1.417 -15.016 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.931 -0.822 -11.546 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.066 -2.155 -11.309 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.066 -3.106 -14.698 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.703 -3.441 -13.084 1.00 0.00 H new ATOM 42 N SER A 6 9.839 4.701 -13.665 1.00 0.00 N ATOM 43 CA SER A 6 9.119 5.896 -13.228 1.00 0.00 C ATOM 44 C SER A 6 8.989 6.935 -14.352 1.00 0.00 C ATOM 45 O SER A 6 8.632 8.083 -14.088 1.00 0.00 O ATOM 46 CB SER A 6 9.885 6.493 -12.055 1.00 0.00 C ATOM 47 OG SER A 6 10.386 5.461 -11.210 1.00 0.00 O ATOM 0 H SER A 6 10.770 4.618 -13.257 1.00 0.00 H new ATOM 0 HA SER A 6 8.106 5.617 -12.938 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.710 7.102 -12.424 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.232 7.153 -11.485 1.00 0.00 H new ATOM 0 HG SER A 6 10.533 5.818 -10.309 1.00 0.00 H new ATOM 53 N GLU A 7 9.270 6.534 -15.597 1.00 0.00 N ATOM 54 CA GLU A 7 9.225 7.452 -16.732 1.00 0.00 C ATOM 55 C GLU A 7 7.805 7.834 -17.134 1.00 0.00 C ATOM 56 O GLU A 7 7.583 8.305 -18.257 1.00 0.00 O ATOM 57 CB GLU A 7 9.944 6.835 -17.935 1.00 0.00 C ATOM 58 CG GLU A 7 9.301 5.565 -18.456 1.00 0.00 C ATOM 59 CD GLU A 7 9.982 5.062 -19.711 1.00 0.00 C ATOM 60 OE1 GLU A 7 9.626 5.521 -20.811 1.00 0.00 O ATOM 61 OE2 GLU A 7 10.886 4.207 -19.595 1.00 0.00 O ATOM 0 H GLU A 7 9.531 5.578 -15.840 1.00 0.00 H new ATOM 0 HA GLU A 7 9.729 8.365 -16.414 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.978 7.569 -18.740 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.976 6.619 -17.657 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.343 4.794 -17.686 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.247 5.750 -18.664 1.00 0.00 H new ATOM 68 N PHE A 8 6.847 7.626 -16.229 1.00 0.00 N ATOM 69 CA PHE A 8 5.460 8.026 -16.465 1.00 0.00 C ATOM 70 C PHE A 8 5.352 9.527 -16.726 1.00 0.00 C ATOM 71 O PHE A 8 6.354 10.237 -16.745 1.00 0.00 O ATOM 72 CB PHE A 8 4.593 7.666 -15.257 1.00 0.00 C ATOM 73 CG PHE A 8 4.527 6.188 -14.952 1.00 0.00 C ATOM 74 CD1 PHE A 8 3.731 5.336 -15.689 1.00 0.00 C ATOM 75 CD2 PHE A 8 5.264 5.657 -13.906 1.00 0.00 C ATOM 76 CE1 PHE A 8 3.674 3.986 -15.397 1.00 0.00 C ATOM 77 CE2 PHE A 8 5.210 4.310 -13.601 1.00 0.00 C ATOM 78 CZ PHE A 8 4.408 3.472 -14.354 1.00 0.00 C ATOM 0 H PHE A 8 7.007 7.182 -15.325 1.00 0.00 H new ATOM 0 HA PHE A 8 5.109 7.490 -17.347 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.978 8.188 -14.381 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.582 8.034 -15.429 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.144 5.729 -16.506 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.893 6.308 -13.317 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.051 3.333 -15.990 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.790 3.915 -12.780 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.358 2.418 -14.124 1.00 0.00 H new ATOM 88 N ALA A 9 4.120 10.011 -16.918 1.00 0.00 N ATOM 89 CA ALA A 9 3.881 11.413 -17.272 1.00 0.00 C ATOM 90 C ALA A 9 4.677 12.382 -16.401 1.00 0.00 C ATOM 91 O ALA A 9 5.308 13.316 -16.911 1.00 0.00 O ATOM 92 CB ALA A 9 2.399 11.764 -17.179 1.00 0.00 C ATOM 0 H ALA A 9 3.272 9.451 -16.834 1.00 0.00 H new ATOM 0 HA ALA A 9 4.220 11.521 -18.302 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.255 12.811 -17.448 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.832 11.133 -17.863 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.049 11.600 -16.160 1.00 0.00 H new ATOM 98 N SER A 10 4.639 12.168 -15.104 1.00 0.00 N ATOM 99 CA SER A 10 5.450 12.950 -14.171 1.00 0.00 C ATOM 100 C SER A 10 6.155 11.994 -13.189 1.00 0.00 C ATOM 101 O SER A 10 6.760 12.417 -12.211 1.00 0.00 O ATOM 102 CB SER A 10 4.572 13.968 -13.439 1.00 0.00 C ATOM 103 OG SER A 10 5.353 14.875 -12.680 1.00 0.00 O ATOM 0 H SER A 10 4.056 11.458 -14.661 1.00 0.00 H new ATOM 0 HA SER A 10 6.213 13.507 -14.714 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.972 14.520 -14.163 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.877 13.445 -12.781 1.00 0.00 H new ATOM 0 HG SER A 10 6.092 14.393 -12.254 1.00 0.00 H new ATOM 109 N GLY A 11 6.072 10.700 -13.490 1.00 0.00 N ATOM 110 CA GLY A 11 6.595 9.704 -12.590 1.00 0.00 C ATOM 111 C GLY A 11 5.707 9.524 -11.372 1.00 0.00 C ATOM 112 O GLY A 11 6.063 8.819 -10.425 1.00 0.00 O ATOM 0 H GLY A 11 5.651 10.331 -14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.689 8.753 -13.115 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.596 9.993 -12.271 1.00 0.00 H new ATOM 116 N ASN A 12 4.538 10.159 -11.419 1.00 0.00 N ATOM 117 CA ASN A 12 3.637 10.221 -10.274 1.00 0.00 C ATOM 118 C ASN A 12 3.032 8.857 -9.959 1.00 0.00 C ATOM 119 O ASN A 12 2.949 8.495 -8.791 1.00 0.00 O ATOM 120 CB ASN A 12 2.530 11.249 -10.486 1.00 0.00 C ATOM 121 CG ASN A 12 1.713 11.001 -11.741 1.00 0.00 C ATOM 122 OD1 ASN A 12 2.233 10.528 -12.760 1.00 0.00 O ATOM 123 ND2 ASN A 12 0.430 11.311 -11.676 1.00 0.00 N ATOM 0 H ASN A 12 4.191 10.642 -12.248 1.00 0.00 H new ATOM 0 HA ASN A 12 4.238 10.534 -9.420 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.866 11.242 -9.621 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.973 12.244 -10.540 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.172 11.162 -12.486 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.042 11.699 -10.816 1.00 0.00 H new ATOM 130 N THR A 13 2.598 8.110 -10.966 1.00 0.00 N ATOM 131 CA THR A 13 2.044 6.770 -10.764 1.00 0.00 C ATOM 132 C THR A 13 2.982 5.894 -9.920 1.00 0.00 C ATOM 133 O THR A 13 2.535 5.174 -9.016 1.00 0.00 O ATOM 134 CB THR A 13 1.799 6.076 -12.117 1.00 0.00 C ATOM 135 OG1 THR A 13 1.116 6.987 -13.008 1.00 0.00 O ATOM 136 CG2 THR A 13 0.987 4.810 -11.955 1.00 0.00 C ATOM 0 H THR A 13 2.618 8.410 -11.941 1.00 0.00 H new ATOM 0 HA THR A 13 1.100 6.890 -10.233 1.00 0.00 H new ATOM 0 HB THR A 13 2.766 5.799 -12.537 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.961 6.547 -13.870 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.834 4.348 -12.931 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.520 4.117 -11.305 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.020 5.052 -11.513 1.00 0.00 H new ATOM 144 N TYR A 14 4.272 5.972 -10.203 1.00 0.00 N ATOM 145 CA TYR A 14 5.263 5.198 -9.459 1.00 0.00 C ATOM 146 C TYR A 14 5.330 5.689 -8.031 1.00 0.00 C ATOM 147 O TYR A 14 5.286 4.870 -7.095 1.00 0.00 O ATOM 148 CB TYR A 14 6.623 5.317 -10.133 1.00 0.00 C ATOM 149 CG TYR A 14 7.614 4.272 -9.654 1.00 0.00 C ATOM 150 CD1 TYR A 14 7.547 2.962 -10.113 1.00 0.00 C ATOM 151 CD2 TYR A 14 8.599 4.594 -8.732 1.00 0.00 C ATOM 152 CE1 TYR A 14 8.427 1.992 -9.662 1.00 0.00 C ATOM 153 CE2 TYR A 14 9.486 3.640 -8.289 1.00 0.00 C ATOM 154 CZ TYR A 14 9.398 2.335 -8.747 1.00 0.00 C ATOM 155 OH TYR A 14 10.268 1.376 -8.307 1.00 0.00 O ATOM 0 H TYR A 14 4.661 6.561 -10.940 1.00 0.00 H new ATOM 0 HA TYR A 14 4.971 4.148 -9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.497 5.224 -11.212 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.031 6.310 -9.944 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.792 2.694 -10.837 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.670 5.605 -8.358 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.353 0.977 -10.024 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.255 3.910 -7.580 1.00 0.00 H new ATOM 0 HH TYR A 14 10.742 1.703 -7.514 1.00 0.00 H new ATOM 165 N ALA A 15 5.445 7.002 -7.861 1.00 0.00 N ATOM 166 CA ALA A 15 5.425 7.629 -6.541 1.00 0.00 C ATOM 167 C ALA A 15 4.172 7.255 -5.746 1.00 0.00 C ATOM 168 O ALA A 15 4.237 7.007 -4.549 1.00 0.00 O ATOM 169 CB ALA A 15 5.494 9.147 -6.705 1.00 0.00 C ATOM 0 H ALA A 15 5.555 7.662 -8.631 1.00 0.00 H new ATOM 0 HA ALA A 15 6.288 7.266 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.479 9.620 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.414 9.415 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.637 9.490 -7.286 1.00 0.00 H new ATOM 175 N LEU A 16 3.043 7.184 -6.437 1.00 0.00 N ATOM 176 CA LEU A 16 1.776 6.862 -5.819 1.00 0.00 C ATOM 177 C LEU A 16 1.777 5.424 -5.311 1.00 0.00 C ATOM 178 O LEU A 16 1.379 5.137 -4.174 1.00 0.00 O ATOM 179 CB LEU A 16 0.644 7.074 -6.822 1.00 0.00 C ATOM 180 CG LEU A 16 -0.779 6.863 -6.279 1.00 0.00 C ATOM 181 CD1 LEU A 16 -1.123 7.910 -5.246 1.00 0.00 C ATOM 182 CD2 LEU A 16 -1.780 6.859 -7.415 1.00 0.00 C ATOM 0 H LEU A 16 2.985 7.349 -7.442 1.00 0.00 H new ATOM 0 HA LEU A 16 1.622 7.523 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.716 8.089 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.796 6.396 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.822 5.892 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.134 7.739 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.419 7.848 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.064 8.900 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.783 6.709 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.738 7.813 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.541 6.052 -8.108 1.00 0.00 H new ATOM 194 N TYR A 17 2.248 4.538 -6.166 1.00 0.00 N ATOM 195 CA TYR A 17 2.305 3.114 -5.874 1.00 0.00 C ATOM 196 C TYR A 17 3.148 2.851 -4.629 1.00 0.00 C ATOM 197 O TYR A 17 2.685 2.236 -3.674 1.00 0.00 O ATOM 198 CB TYR A 17 2.843 2.340 -7.063 1.00 0.00 C ATOM 199 CG TYR A 17 2.790 0.828 -6.905 1.00 0.00 C ATOM 200 CD1 TYR A 17 1.674 0.121 -7.325 1.00 0.00 C ATOM 201 CD2 TYR A 17 3.852 0.120 -6.355 1.00 0.00 C ATOM 202 CE1 TYR A 17 1.612 -1.254 -7.195 1.00 0.00 C ATOM 203 CE2 TYR A 17 3.801 -1.243 -6.225 1.00 0.00 C ATOM 204 CZ TYR A 17 2.681 -1.928 -6.640 1.00 0.00 C ATOM 205 OH TYR A 17 2.612 -3.308 -6.507 1.00 0.00 O ATOM 0 H TYR A 17 2.605 4.784 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 17 1.291 2.767 -5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.276 2.620 -7.950 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.877 2.639 -7.238 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.841 0.652 -7.760 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.732 0.653 -6.025 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.737 -1.795 -7.524 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.636 -1.778 -5.798 1.00 0.00 H new ATOM 0 HH TYR A 17 3.440 -3.639 -6.101 1.00 0.00 H new ATOM 215 N VAL A 18 4.372 3.360 -4.644 1.00 0.00 N ATOM 216 CA VAL A 18 5.325 3.098 -3.585 1.00 0.00 C ATOM 217 C VAL A 18 4.830 3.599 -2.212 1.00 0.00 C ATOM 218 O VAL A 18 4.980 2.883 -1.222 1.00 0.00 O ATOM 219 CB VAL A 18 6.720 3.677 -3.888 1.00 0.00 C ATOM 220 CG1 VAL A 18 7.321 2.966 -5.100 1.00 0.00 C ATOM 221 CG2 VAL A 18 6.677 5.175 -4.118 1.00 0.00 C ATOM 0 H VAL A 18 4.727 3.962 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 18 5.415 2.013 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 18 7.351 3.506 -3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.308 3.378 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.410 1.900 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.674 3.112 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.682 5.540 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.027 5.395 -4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.291 5.669 -3.227 1.00 0.00 H new ATOM 231 N ARG A 19 4.233 4.793 -2.150 1.00 0.00 N ATOM 232 CA ARG A 19 3.728 5.317 -0.892 1.00 0.00 C ATOM 233 C ARG A 19 2.750 4.350 -0.225 1.00 0.00 C ATOM 234 O ARG A 19 2.774 4.155 0.982 1.00 0.00 O ATOM 235 CB ARG A 19 3.022 6.646 -1.098 1.00 0.00 C ATOM 236 CG ARG A 19 3.882 7.722 -1.740 1.00 0.00 C ATOM 237 CD ARG A 19 3.170 9.062 -1.715 1.00 0.00 C ATOM 238 NE ARG A 19 1.768 8.951 -2.122 1.00 0.00 N ATOM 239 CZ ARG A 19 0.956 9.995 -2.261 1.00 0.00 C ATOM 240 NH1 ARG A 19 1.397 11.215 -2.060 1.00 0.00 N ATOM 241 NH2 ARG A 19 -0.317 9.796 -2.619 1.00 0.00 N ATOM 0 H ARG A 19 4.092 5.406 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 19 4.595 5.452 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.142 6.483 -1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.668 7.009 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.832 7.799 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.112 7.445 -2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.223 9.481 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.685 9.758 -2.378 1.00 0.00 H new ATOM 0 HE ARG A 19 1.393 8.021 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.370 11.368 -1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.767 12.010 -2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.659 8.849 -2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.946 10.591 -2.728 1.00 0.00 H new ATOM 255 N ASP A 20 1.877 3.750 -1.027 1.00 0.00 N ATOM 256 CA ASP A 20 0.831 2.888 -0.507 1.00 0.00 C ATOM 257 C ASP A 20 1.342 1.467 -0.265 1.00 0.00 C ATOM 258 O ASP A 20 1.051 0.855 0.777 1.00 0.00 O ATOM 259 CB ASP A 20 -0.361 2.868 -1.456 1.00 0.00 C ATOM 260 CG ASP A 20 -1.531 2.096 -0.884 1.00 0.00 C ATOM 261 OD1 ASP A 20 -2.196 2.607 0.044 1.00 0.00 O ATOM 262 OD2 ASP A 20 -1.802 0.982 -1.373 1.00 0.00 O ATOM 0 H ASP A 20 1.876 3.848 -2.042 1.00 0.00 H new ATOM 0 HA ASP A 20 0.513 3.295 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.671 3.891 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.062 2.422 -2.404 1.00 0.00 H new ATOM 267 N THR A 21 2.082 0.930 -1.221 1.00 0.00 N ATOM 268 CA THR A 21 2.493 -0.462 -1.179 1.00 0.00 C ATOM 269 C THR A 21 3.705 -0.674 -0.289 1.00 0.00 C ATOM 270 O THR A 21 3.823 -1.693 0.385 1.00 0.00 O ATOM 271 CB THR A 21 2.773 -0.980 -2.599 1.00 0.00 C ATOM 272 OG1 THR A 21 1.635 -0.741 -3.424 1.00 0.00 O ATOM 273 CG2 THR A 21 3.091 -2.474 -2.583 1.00 0.00 C ATOM 0 H THR A 21 2.412 1.441 -2.040 1.00 0.00 H new ATOM 0 HA THR A 21 1.670 -1.031 -0.746 1.00 0.00 H new ATOM 0 HB THR A 21 3.638 -0.450 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.832 -1.021 -4.342 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.285 -2.816 -3.600 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.972 -2.652 -1.966 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.243 -3.022 -2.172 1.00 0.00 H new ATOM 281 N LEU A 22 4.592 0.303 -0.246 1.00 0.00 N ATOM 282 CA LEU A 22 5.830 0.147 0.505 1.00 0.00 C ATOM 283 C LEU A 22 5.659 0.741 1.890 1.00 0.00 C ATOM 284 O LEU A 22 5.792 1.950 2.096 1.00 0.00 O ATOM 285 CB LEU A 22 6.974 0.816 -0.243 1.00 0.00 C ATOM 286 CG LEU A 22 8.358 0.179 -0.045 1.00 0.00 C ATOM 287 CD1 LEU A 22 9.346 0.739 -1.033 1.00 0.00 C ATOM 288 CD2 LEU A 22 8.873 0.382 1.369 1.00 0.00 C ATOM 0 H LEU A 22 4.484 1.203 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 22 6.068 -0.911 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.740 0.811 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.026 1.860 0.067 1.00 0.00 H new ATOM 0 HG LEU A 22 8.248 -0.892 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.320 0.275 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.004 0.531 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.430 1.817 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.854 -0.083 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.954 1.449 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.181 -0.074 2.077 1.00 0.00 H new ATOM 300 N GLN A 23 5.324 -0.115 2.841 1.00 0.00 N ATOM 301 CA GLN A 23 5.105 0.303 4.222 1.00 0.00 C ATOM 302 C GLN A 23 6.403 0.193 5.030 1.00 0.00 C ATOM 303 O GLN A 23 7.321 -0.539 4.659 1.00 0.00 O ATOM 304 CB GLN A 23 4.029 -0.589 4.869 1.00 0.00 C ATOM 305 CG GLN A 23 4.359 -2.064 4.825 1.00 0.00 C ATOM 306 CD GLN A 23 3.324 -2.921 5.530 1.00 0.00 C ATOM 307 OE1 GLN A 23 3.094 -4.069 5.149 1.00 0.00 O ATOM 308 NE2 GLN A 23 2.683 -2.364 6.543 1.00 0.00 N ATOM 0 H GLN A 23 5.196 -1.114 2.682 1.00 0.00 H new ATOM 0 HA GLN A 23 4.775 1.342 4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.894 -0.286 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.078 -0.423 4.362 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.440 -2.382 3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.333 -2.227 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.906 -1.409 6.825 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.965 -2.889 7.043 1.00 0.00 H new ATOM 317 N PRO A 24 6.490 0.934 6.143 1.00 0.00 N ATOM 318 CA PRO A 24 7.627 0.855 7.070 1.00 0.00 C ATOM 319 C PRO A 24 7.923 -0.590 7.475 1.00 0.00 C ATOM 320 O PRO A 24 7.048 -1.295 8.000 1.00 0.00 O ATOM 321 CB PRO A 24 7.189 1.667 8.277 1.00 0.00 C ATOM 322 CG PRO A 24 6.177 2.628 7.749 1.00 0.00 C ATOM 323 CD PRO A 24 5.501 1.919 6.587 1.00 0.00 C ATOM 0 HA PRO A 24 8.544 1.231 6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.761 1.027 9.049 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.032 2.190 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.453 2.896 8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.650 3.553 7.421 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.573 1.439 6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.247 2.616 5.789 1.00 0.00 H new ATOM 331 N GLY A 25 9.149 -1.036 7.237 1.00 0.00 N ATOM 332 CA GLY A 25 9.497 -2.411 7.507 1.00 0.00 C ATOM 333 C GLY A 25 9.879 -3.137 6.235 1.00 0.00 C ATOM 334 O GLY A 25 10.655 -4.098 6.260 1.00 0.00 O ATOM 0 H GLY A 25 9.908 -0.467 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.327 -2.447 8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.654 -2.917 7.979 1.00 0.00 H new ATOM 338 N MET A 26 9.335 -2.673 5.112 1.00 0.00 N ATOM 339 CA MET A 26 9.645 -3.257 3.817 1.00 0.00 C ATOM 340 C MET A 26 11.046 -2.888 3.352 1.00 0.00 C ATOM 341 O MET A 26 11.475 -1.744 3.510 1.00 0.00 O ATOM 342 CB MET A 26 8.639 -2.824 2.758 1.00 0.00 C ATOM 343 CG MET A 26 7.229 -3.313 3.015 1.00 0.00 C ATOM 344 SD MET A 26 7.121 -5.097 3.170 1.00 0.00 S ATOM 345 CE MET A 26 5.355 -5.340 3.031 1.00 0.00 C ATOM 0 H MET A 26 8.678 -1.894 5.077 1.00 0.00 H new ATOM 0 HA MET A 26 9.590 -4.338 3.945 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.631 -1.735 2.702 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.969 -3.191 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.851 -2.851 3.927 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.583 -2.985 2.201 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.932 -5.508 4.021 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.900 -4.455 2.587 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.155 -6.206 2.400 1.00 0.00 H new ATOM 355 N ARG A 27 11.752 -3.868 2.798 1.00 0.00 N ATOM 356 CA ARG A 27 13.050 -3.635 2.189 1.00 0.00 C ATOM 357 C ARG A 27 12.872 -2.952 0.830 1.00 0.00 C ATOM 358 O ARG A 27 11.883 -3.210 0.124 1.00 0.00 O ATOM 359 CB ARG A 27 13.802 -4.966 2.047 1.00 0.00 C ATOM 360 CG ARG A 27 15.101 -4.846 1.290 1.00 0.00 C ATOM 361 CD ARG A 27 15.881 -6.153 1.304 1.00 0.00 C ATOM 362 NE ARG A 27 16.550 -6.379 2.590 1.00 0.00 N ATOM 363 CZ ARG A 27 16.649 -7.555 3.185 1.00 0.00 C ATOM 364 NH1 ARG A 27 16.108 -8.642 2.635 1.00 0.00 N ATOM 365 NH2 ARG A 27 17.301 -7.652 4.341 1.00 0.00 N ATOM 0 H ARG A 27 11.441 -4.839 2.760 1.00 0.00 H new ATOM 0 HA ARG A 27 13.640 -2.975 2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.005 -5.367 3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.159 -5.685 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.897 -4.555 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.708 -4.055 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.204 -6.982 1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.623 -6.141 0.506 1.00 0.00 H new ATOM 0 HE ARG A 27 16.967 -5.574 3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.612 -8.571 1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.190 -9.545 3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.720 -6.822 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.382 -8.556 4.807 1.00 0.00 H new ATOM 379 N VAL A 28 13.825 -2.113 0.468 1.00 0.00 N ATOM 380 CA VAL A 28 13.756 -1.344 -0.764 1.00 0.00 C ATOM 381 C VAL A 28 14.982 -1.633 -1.636 1.00 0.00 C ATOM 382 O VAL A 28 16.011 -2.052 -1.121 1.00 0.00 O ATOM 383 CB VAL A 28 13.708 0.172 -0.492 1.00 0.00 C ATOM 384 CG1 VAL A 28 12.534 0.538 0.413 1.00 0.00 C ATOM 385 CG2 VAL A 28 15.015 0.647 0.122 1.00 0.00 C ATOM 0 H VAL A 28 14.668 -1.945 1.017 1.00 0.00 H new ATOM 0 HA VAL A 28 12.840 -1.643 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 28 13.566 0.675 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.529 1.614 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.600 0.243 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.634 0.019 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.962 1.720 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.186 0.125 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.836 0.437 -0.563 1.00 0.00 H new ATOM 395 N ARG A 29 14.851 -1.420 -2.932 1.00 0.00 N ATOM 396 CA ARG A 29 16.008 -1.475 -3.810 1.00 0.00 C ATOM 397 C ARG A 29 16.110 -0.183 -4.628 1.00 0.00 C ATOM 398 O ARG A 29 15.100 0.379 -5.073 1.00 0.00 O ATOM 399 CB ARG A 29 15.945 -2.711 -4.718 1.00 0.00 C ATOM 400 CG ARG A 29 17.073 -2.786 -5.735 1.00 0.00 C ATOM 401 CD ARG A 29 17.259 -4.198 -6.282 1.00 0.00 C ATOM 402 NE ARG A 29 15.997 -4.762 -6.764 1.00 0.00 N ATOM 403 CZ ARG A 29 15.722 -6.070 -6.786 1.00 0.00 C ATOM 404 NH1 ARG A 29 16.655 -6.959 -6.426 1.00 0.00 N ATOM 405 NH2 ARG A 29 14.544 -6.499 -7.197 1.00 0.00 N ATOM 0 H ARG A 29 13.968 -1.210 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 29 16.908 -1.563 -3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.968 -3.607 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.992 -2.713 -5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.864 -2.103 -6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 29 18.001 -2.452 -5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.984 -4.181 -7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.670 -4.839 -5.502 1.00 0.00 H new ATOM 0 HE ARG A 29 15.284 -4.117 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.578 -6.639 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.443 -7.957 -6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.836 -5.831 -7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.342 -7.499 -7.211 1.00 0.00 H new ATOM 419 N MET A 30 17.342 0.297 -4.790 1.00 0.00 N ATOM 420 CA MET A 30 17.612 1.537 -5.485 1.00 0.00 C ATOM 421 C MET A 30 17.707 1.313 -6.982 1.00 0.00 C ATOM 422 O MET A 30 18.515 0.512 -7.445 1.00 0.00 O ATOM 423 CB MET A 30 18.905 2.170 -4.961 1.00 0.00 C ATOM 424 CG MET A 30 19.128 3.601 -5.398 1.00 0.00 C ATOM 425 SD MET A 30 17.803 4.691 -4.841 1.00 0.00 S ATOM 426 CE MET A 30 18.383 6.260 -5.458 1.00 0.00 C ATOM 0 H MET A 30 18.178 -0.171 -4.439 1.00 0.00 H new ATOM 0 HA MET A 30 16.783 2.218 -5.295 1.00 0.00 H new ATOM 0 HB2 MET A 30 18.896 2.134 -3.872 1.00 0.00 H new ATOM 0 HB3 MET A 30 19.750 1.567 -5.293 1.00 0.00 H new ATOM 0 HG2 MET A 30 20.080 3.956 -5.004 1.00 0.00 H new ATOM 0 HG3 MET A 30 19.198 3.642 -6.485 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.220 7.030 -4.704 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.447 6.192 -5.683 1.00 0.00 H new ATOM 0 HE3 MET A 30 17.837 6.519 -6.365 1.00 0.00 H new ATOM 436 N LEU A 31 16.873 2.022 -7.737 1.00 0.00 N ATOM 437 CA LEU A 31 16.796 1.836 -9.180 1.00 0.00 C ATOM 438 C LEU A 31 17.928 2.541 -9.913 1.00 0.00 C ATOM 439 O LEU A 31 18.486 2.001 -10.883 1.00 0.00 O ATOM 440 CB LEU A 31 15.464 2.376 -9.694 1.00 0.00 C ATOM 441 CG LEU A 31 14.229 1.786 -9.032 1.00 0.00 C ATOM 442 CD1 LEU A 31 12.965 2.437 -9.582 1.00 0.00 C ATOM 443 CD2 LEU A 31 14.177 0.278 -9.207 1.00 0.00 C ATOM 0 H LEU A 31 16.240 2.733 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 31 16.882 0.767 -9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.450 3.457 -9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.405 2.192 -10.767 1.00 0.00 H new ATOM 0 HG LEU A 31 14.289 1.994 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.091 2.002 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.993 3.509 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.906 2.266 -10.657 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.283 -0.114 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.150 0.036 -10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.061 -0.171 -8.755 1.00 0.00 H new ATOM 455 N ASP A 32 18.275 3.734 -9.457 1.00 0.00 N ATOM 456 CA ASP A 32 19.241 4.564 -10.154 1.00 0.00 C ATOM 457 C ASP A 32 20.337 5.064 -9.209 1.00 0.00 C ATOM 458 O ASP A 32 20.155 5.053 -7.985 1.00 0.00 O ATOM 459 CB ASP A 32 18.510 5.737 -10.811 1.00 0.00 C ATOM 460 CG ASP A 32 19.409 6.605 -11.685 1.00 0.00 C ATOM 461 OD1 ASP A 32 20.391 6.083 -12.246 1.00 0.00 O ATOM 462 OD2 ASP A 32 19.122 7.804 -11.838 1.00 0.00 O ATOM 0 H ASP A 32 17.900 4.149 -8.604 1.00 0.00 H new ATOM 0 HA ASP A 32 19.732 3.965 -10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.692 5.350 -11.418 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.064 6.358 -10.034 1.00 0.00 H new ATOM 467 N ASP A 33 21.459 5.464 -9.772 1.00 0.00 N ATOM 468 CA ASP A 33 22.584 5.963 -8.993 1.00 0.00 C ATOM 469 C ASP A 33 22.318 7.415 -8.577 1.00 0.00 C ATOM 470 O ASP A 33 22.065 8.256 -9.441 1.00 0.00 O ATOM 471 CB ASP A 33 23.874 5.885 -9.810 1.00 0.00 C ATOM 472 CG ASP A 33 24.157 4.498 -10.356 1.00 0.00 C ATOM 473 OD1 ASP A 33 24.737 3.683 -9.615 1.00 0.00 O ATOM 474 OD2 ASP A 33 23.809 4.217 -11.525 1.00 0.00 O ATOM 0 H ASP A 33 21.621 5.454 -10.779 1.00 0.00 H new ATOM 0 HA ASP A 33 22.698 5.345 -8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 33 23.813 6.589 -10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 33 24.710 6.200 -9.186 1.00 0.00 H new ATOM 479 N TYR A 34 22.389 7.696 -7.298 1.00 0.00 N ATOM 480 CA TYR A 34 21.924 8.989 -6.816 1.00 0.00 C ATOM 481 C TYR A 34 22.668 9.442 -5.560 1.00 0.00 C ATOM 482 O TYR A 34 22.407 8.963 -4.464 1.00 0.00 O ATOM 483 CB TYR A 34 20.420 8.916 -6.547 1.00 0.00 C ATOM 484 CG TYR A 34 19.819 10.192 -6.020 1.00 0.00 C ATOM 485 CD1 TYR A 34 19.592 11.268 -6.861 1.00 0.00 C ATOM 486 CD2 TYR A 34 19.479 10.324 -4.695 1.00 0.00 C ATOM 487 CE1 TYR A 34 19.039 12.429 -6.374 1.00 0.00 C ATOM 488 CE2 TYR A 34 18.928 11.486 -4.184 1.00 0.00 C ATOM 489 CZ TYR A 34 18.711 12.539 -5.063 1.00 0.00 C ATOM 490 OH TYR A 34 18.172 13.706 -4.568 1.00 0.00 O ATOM 0 H TYR A 34 22.754 7.069 -6.581 1.00 0.00 H new ATOM 0 HA TYR A 34 22.129 9.730 -7.589 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.911 8.644 -7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.230 8.116 -5.831 1.00 0.00 H new ATOM 0 HD1 TYR A 34 19.851 11.195 -7.907 1.00 0.00 H new ATOM 0 HD2 TYR A 34 19.648 9.491 -4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 34 18.864 13.260 -7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 34 18.675 11.571 -3.137 1.00 0.00 H new ATOM 0 HH TYR A 34 17.998 13.605 -3.609 1.00 0.00 H new ATOM 500 N GLU A 35 23.633 10.347 -5.764 1.00 0.00 N ATOM 501 CA GLU A 35 24.238 11.166 -4.691 1.00 0.00 C ATOM 502 C GLU A 35 25.113 10.380 -3.699 1.00 0.00 C ATOM 503 O GLU A 35 26.057 10.944 -3.147 1.00 0.00 O ATOM 504 CB GLU A 35 23.151 11.913 -3.921 1.00 0.00 C ATOM 505 CG GLU A 35 22.290 12.820 -4.789 1.00 0.00 C ATOM 506 CD GLU A 35 23.084 13.886 -5.505 1.00 0.00 C ATOM 507 OE1 GLU A 35 23.464 14.875 -4.846 1.00 0.00 O ATOM 508 OE2 GLU A 35 23.331 13.736 -6.718 1.00 0.00 O ATOM 0 H GLU A 35 24.024 10.538 -6.686 1.00 0.00 H new ATOM 0 HA GLU A 35 24.904 11.861 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 35 22.508 11.187 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 35 23.620 12.512 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 35 21.762 12.214 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 35 21.533 13.297 -4.166 1.00 0.00 H new ATOM 515 N GLU A 36 24.837 9.104 -3.549 1.00 0.00 N ATOM 516 CA GLU A 36 25.425 8.290 -2.480 1.00 0.00 C ATOM 517 C GLU A 36 25.164 6.816 -2.750 1.00 0.00 C ATOM 518 O GLU A 36 26.026 5.964 -2.545 1.00 0.00 O ATOM 519 CB GLU A 36 24.825 8.628 -1.103 1.00 0.00 C ATOM 520 CG GLU A 36 25.287 9.952 -0.487 1.00 0.00 C ATOM 521 CD GLU A 36 26.779 9.992 -0.221 1.00 0.00 C ATOM 522 OE1 GLU A 36 27.407 8.920 -0.093 1.00 0.00 O ATOM 523 OE2 GLU A 36 27.326 11.102 -0.122 1.00 0.00 O ATOM 0 H GLU A 36 24.200 8.591 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 36 26.493 8.506 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 36 23.739 8.650 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 36 25.070 7.821 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 36 25.021 10.770 -1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 36 24.752 10.118 0.448 1.00 0.00 H new ATOM 530 N ILE A 37 23.967 6.566 -3.215 1.00 0.00 N ATOM 531 CA ILE A 37 23.506 5.199 -3.430 1.00 0.00 C ATOM 532 C ILE A 37 23.601 4.886 -4.908 1.00 0.00 C ATOM 533 O ILE A 37 23.532 5.786 -5.741 1.00 0.00 O ATOM 534 CB ILE A 37 22.063 5.013 -2.932 1.00 0.00 C ATOM 535 CG1 ILE A 37 21.920 5.577 -1.521 1.00 0.00 C ATOM 536 CG2 ILE A 37 21.669 3.547 -2.946 1.00 0.00 C ATOM 537 CD1 ILE A 37 22.844 4.941 -0.492 1.00 0.00 C ATOM 0 H ILE A 37 23.285 7.286 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 37 24.135 4.514 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 37 21.397 5.554 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 37 22.113 6.649 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.888 5.447 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.644 3.442 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.741 3.161 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 37 22.339 2.984 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 37 22.676 5.401 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.638 3.873 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 37 23.881 5.093 -0.791 1.00 0.00 H new ATOM 549 N SER A 38 23.762 3.616 -5.234 1.00 0.00 N ATOM 550 CA SER A 38 23.922 3.215 -6.619 1.00 0.00 C ATOM 551 C SER A 38 22.830 2.243 -7.014 1.00 0.00 C ATOM 552 O SER A 38 22.125 1.711 -6.154 1.00 0.00 O ATOM 553 CB SER A 38 25.315 2.606 -6.837 1.00 0.00 C ATOM 554 OG SER A 38 25.814 1.996 -5.648 1.00 0.00 O ATOM 0 H SER A 38 23.785 2.849 -4.562 1.00 0.00 H new ATOM 0 HA SER A 38 23.835 4.095 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.268 1.865 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 38 26.005 3.383 -7.165 1.00 0.00 H new ATOM 0 HG SER A 38 25.138 1.386 -5.285 1.00 0.00 H new ATOM 560 N ALA A 39 22.650 2.035 -8.318 1.00 0.00 N ATOM 561 CA ALA A 39 21.656 1.118 -8.814 1.00 0.00 C ATOM 562 C ALA A 39 21.973 -0.300 -8.350 1.00 0.00 C ATOM 563 O ALA A 39 23.107 -0.762 -8.485 1.00 0.00 O ATOM 564 CB ALA A 39 21.601 1.172 -10.324 1.00 0.00 C ATOM 0 H ALA A 39 23.192 2.500 -9.047 1.00 0.00 H new ATOM 0 HA ALA A 39 20.683 1.409 -8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.846 0.474 -10.686 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.344 2.182 -10.643 1.00 0.00 H new ATOM 0 HB3 ALA A 39 22.573 0.899 -10.734 1.00 0.00 H new ATOM 570 N GLY A 40 20.986 -0.973 -7.796 1.00 0.00 N ATOM 571 CA GLY A 40 21.195 -2.333 -7.341 1.00 0.00 C ATOM 572 C GLY A 40 21.279 -2.434 -5.819 1.00 0.00 C ATOM 573 O GLY A 40 21.118 -3.514 -5.265 1.00 0.00 O ATOM 0 H GLY A 40 20.045 -0.608 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.380 -2.962 -7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 40 22.114 -2.722 -7.779 1.00 0.00 H new ATOM 577 N ASP A 41 21.507 -1.303 -5.161 1.00 0.00 N ATOM 578 CA ASP A 41 21.615 -1.281 -3.711 1.00 0.00 C ATOM 579 C ASP A 41 20.249 -1.496 -3.074 1.00 0.00 C ATOM 580 O ASP A 41 19.215 -1.233 -3.674 1.00 0.00 O ATOM 581 CB ASP A 41 22.220 0.036 -3.229 1.00 0.00 C ATOM 582 CG ASP A 41 23.729 0.064 -3.369 1.00 0.00 C ATOM 583 OD1 ASP A 41 24.218 0.454 -4.442 1.00 0.00 O ATOM 584 OD2 ASP A 41 24.419 -0.298 -2.402 1.00 0.00 O ATOM 0 H ASP A 41 21.620 -0.393 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 41 22.277 -2.093 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.790 0.860 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.952 0.195 -2.185 1.00 0.00 H new ATOM 589 N GLU A 42 20.268 -1.998 -1.844 1.00 0.00 N ATOM 590 CA GLU A 42 19.026 -2.262 -1.129 1.00 0.00 C ATOM 591 C GLU A 42 19.118 -1.822 0.316 1.00 0.00 C ATOM 592 O GLU A 42 20.213 -1.639 0.865 1.00 0.00 O ATOM 593 CB GLU A 42 18.647 -3.733 -1.219 1.00 0.00 C ATOM 594 CG GLU A 42 19.745 -4.654 -0.734 1.00 0.00 C ATOM 595 CD GLU A 42 19.486 -6.101 -1.103 1.00 0.00 C ATOM 596 OE1 GLU A 42 19.668 -6.459 -2.281 1.00 0.00 O ATOM 597 OE2 GLU A 42 19.093 -6.891 -0.225 1.00 0.00 O ATOM 0 H GLU A 42 21.117 -2.227 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 42 18.241 -1.677 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.746 -3.908 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.404 -3.978 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 42 20.697 -4.337 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 42 19.837 -4.568 0.349 1.00 0.00 H new ATOM 604 N GLY A 43 17.964 -1.637 0.916 1.00 0.00 N ATOM 605 CA GLY A 43 17.901 -1.165 2.278 1.00 0.00 C ATOM 606 C GLY A 43 16.546 -1.433 2.892 1.00 0.00 C ATOM 607 O GLY A 43 15.729 -2.120 2.302 1.00 0.00 O ATOM 0 H GLY A 43 17.057 -1.807 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.674 -1.654 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.109 -0.095 2.304 1.00 0.00 H new ATOM 611 N GLU A 44 16.288 -0.893 4.057 1.00 0.00 N ATOM 612 CA GLU A 44 15.029 -1.100 4.724 1.00 0.00 C ATOM 613 C GLU A 44 14.329 0.237 4.939 1.00 0.00 C ATOM 614 O GLU A 44 14.964 1.242 5.272 1.00 0.00 O ATOM 615 CB GLU A 44 15.254 -1.811 6.056 1.00 0.00 C ATOM 616 CG GLU A 44 13.982 -2.372 6.657 1.00 0.00 C ATOM 617 CD GLU A 44 14.227 -3.162 7.925 1.00 0.00 C ATOM 618 OE1 GLU A 44 14.574 -4.357 7.821 1.00 0.00 O ATOM 619 OE2 GLU A 44 14.097 -2.582 9.026 1.00 0.00 O ATOM 0 H GLU A 44 16.943 -0.300 4.567 1.00 0.00 H new ATOM 0 HA GLU A 44 14.392 -1.728 4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.968 -2.622 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.704 -1.112 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.296 -1.553 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.492 -3.014 5.924 1.00 0.00 H new ATOM 626 N PHE A 45 13.015 0.255 4.766 1.00 0.00 N ATOM 627 CA PHE A 45 12.247 1.480 4.851 1.00 0.00 C ATOM 628 C PHE A 45 11.873 1.715 6.313 1.00 0.00 C ATOM 629 O PHE A 45 11.231 0.869 6.940 1.00 0.00 O ATOM 630 CB PHE A 45 10.995 1.376 3.982 1.00 0.00 C ATOM 631 CG PHE A 45 10.146 2.627 3.920 1.00 0.00 C ATOM 632 CD1 PHE A 45 9.466 3.089 5.024 1.00 0.00 C ATOM 633 CD2 PHE A 45 10.007 3.314 2.722 1.00 0.00 C ATOM 634 CE1 PHE A 45 8.666 4.217 4.955 1.00 0.00 C ATOM 635 CE2 PHE A 45 9.209 4.438 2.646 1.00 0.00 C ATOM 636 CZ PHE A 45 8.543 4.887 3.759 1.00 0.00 C ATOM 0 H PHE A 45 12.458 -0.575 4.564 1.00 0.00 H new ATOM 0 HA PHE A 45 12.838 2.320 4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.297 1.111 2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.380 0.557 4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.558 2.562 5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.527 2.966 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.143 4.568 5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.109 4.965 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.921 5.768 3.696 1.00 0.00 H new ATOM 646 N ARG A 46 12.278 2.858 6.863 1.00 0.00 N ATOM 647 CA ARG A 46 11.992 3.145 8.260 1.00 0.00 C ATOM 648 C ARG A 46 10.872 4.170 8.401 1.00 0.00 C ATOM 649 O ARG A 46 9.845 3.902 9.029 1.00 0.00 O ATOM 650 CB ARG A 46 13.234 3.671 8.968 1.00 0.00 C ATOM 651 CG ARG A 46 14.428 2.750 8.860 1.00 0.00 C ATOM 652 CD ARG A 46 15.444 3.014 9.945 1.00 0.00 C ATOM 653 NE ARG A 46 14.848 2.812 11.281 1.00 0.00 N ATOM 654 CZ ARG A 46 14.978 1.701 11.994 1.00 0.00 C ATOM 655 NH1 ARG A 46 15.625 0.644 11.530 1.00 0.00 N ATOM 656 NH2 ARG A 46 14.414 1.633 13.213 1.00 0.00 N ATOM 0 H ARG A 46 12.796 3.586 6.371 1.00 0.00 H new ATOM 0 HA ARG A 46 11.675 2.209 8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.496 4.643 8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.002 3.829 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.094 1.714 8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.897 2.877 7.885 1.00 0.00 H new ATOM 0 HD2 ARG A 46 16.299 2.349 9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.818 4.034 9.859 1.00 0.00 H new ATOM 0 HE ARG A 46 14.302 3.575 11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.041 0.669 10.599 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.708 -0.196 12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.894 2.430 13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.507 0.784 13.771 1.00 0.00 H new ATOM 670 N GLN A 47 11.065 5.327 7.801 1.00 0.00 N ATOM 671 CA GLN A 47 10.201 6.456 8.068 1.00 0.00 C ATOM 672 C GLN A 47 10.042 7.335 6.831 1.00 0.00 C ATOM 673 O GLN A 47 10.943 7.431 5.986 1.00 0.00 O ATOM 674 CB GLN A 47 10.812 7.259 9.221 1.00 0.00 C ATOM 675 CG GLN A 47 10.057 8.519 9.621 1.00 0.00 C ATOM 676 CD GLN A 47 10.773 9.251 10.737 1.00 0.00 C ATOM 677 OE1 GLN A 47 10.510 9.017 11.908 1.00 0.00 O ATOM 678 NE2 GLN A 47 11.666 10.168 10.381 1.00 0.00 N ATOM 0 H GLN A 47 11.810 5.509 7.128 1.00 0.00 H new ATOM 0 HA GLN A 47 9.207 6.100 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.885 6.609 10.093 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.829 7.539 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.956 9.176 8.757 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.049 8.257 9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.859 10.335 9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.159 10.705 11.095 1.00 0.00 H new ATOM 687 N SER A 48 8.898 7.976 6.724 1.00 0.00 N ATOM 688 CA SER A 48 8.679 8.986 5.708 1.00 0.00 C ATOM 689 C SER A 48 8.424 10.311 6.409 1.00 0.00 C ATOM 690 O SER A 48 7.587 10.382 7.314 1.00 0.00 O ATOM 691 CB SER A 48 7.514 8.619 4.783 1.00 0.00 C ATOM 692 OG SER A 48 6.322 8.365 5.526 1.00 0.00 O ATOM 0 H SER A 48 8.097 7.814 7.334 1.00 0.00 H new ATOM 0 HA SER A 48 9.562 9.060 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.339 9.430 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.775 7.737 4.198 1.00 0.00 H new ATOM 0 HG SER A 48 6.313 8.924 6.331 1.00 0.00 H new ATOM 698 N ASN A 49 9.139 11.351 6.032 1.00 0.00 N ATOM 699 CA ASN A 49 9.109 12.586 6.800 1.00 0.00 C ATOM 700 C ASN A 49 7.915 13.437 6.425 1.00 0.00 C ATOM 701 O ASN A 49 7.871 14.023 5.339 1.00 0.00 O ATOM 702 CB ASN A 49 10.405 13.384 6.612 1.00 0.00 C ATOM 703 CG ASN A 49 11.607 12.683 7.207 1.00 0.00 C ATOM 704 OD1 ASN A 49 11.491 11.867 8.117 1.00 0.00 O ATOM 705 ND2 ASN A 49 12.793 12.993 6.707 1.00 0.00 N ATOM 0 H ASN A 49 9.742 11.370 5.210 1.00 0.00 H new ATOM 0 HA ASN A 49 9.019 12.313 7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.575 13.550 5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.295 14.365 7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.634 12.551 7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.866 13.674 5.951 1.00 0.00 H new ATOM 712 N ASN A 50 6.927 13.459 7.333 1.00 0.00 N ATOM 713 CA ASN A 50 5.770 14.362 7.257 1.00 0.00 C ATOM 714 C ASN A 50 4.779 13.967 6.158 1.00 0.00 C ATOM 715 O ASN A 50 3.560 14.017 6.358 1.00 0.00 O ATOM 716 CB ASN A 50 6.225 15.813 7.056 1.00 0.00 C ATOM 717 CG ASN A 50 6.937 16.420 8.263 1.00 0.00 C ATOM 718 OD1 ASN A 50 6.904 17.639 8.474 1.00 0.00 O ATOM 719 ND2 ASN A 50 7.580 15.593 9.061 1.00 0.00 N ATOM 0 H ASN A 50 6.909 12.845 8.147 1.00 0.00 H new ATOM 0 HA ASN A 50 5.248 14.274 8.210 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.892 15.857 6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.355 16.425 6.816 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.070 15.952 9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.588 14.593 8.860 1.00 0.00 H new ATOM 726 N GLY A 51 5.288 13.539 5.008 1.00 0.00 N ATOM 727 CA GLY A 51 4.411 13.243 3.896 1.00 0.00 C ATOM 728 C GLY A 51 4.836 13.987 2.647 1.00 0.00 C ATOM 729 O GLY A 51 4.050 14.729 2.052 1.00 0.00 O ATOM 0 H GLY A 51 6.282 13.394 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.415 12.170 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.388 13.516 4.154 1.00 0.00 H new ATOM 733 N VAL A 52 6.070 13.748 2.235 1.00 0.00 N ATOM 734 CA VAL A 52 6.668 14.447 1.117 1.00 0.00 C ATOM 735 C VAL A 52 7.715 13.561 0.450 1.00 0.00 C ATOM 736 O VAL A 52 8.071 12.521 0.996 1.00 0.00 O ATOM 737 CB VAL A 52 7.310 15.802 1.543 1.00 0.00 C ATOM 738 CG1 VAL A 52 6.243 16.869 1.773 1.00 0.00 C ATOM 739 CG2 VAL A 52 8.167 15.632 2.790 1.00 0.00 C ATOM 0 H VAL A 52 6.685 13.060 2.670 1.00 0.00 H new ATOM 0 HA VAL A 52 5.870 14.673 0.409 1.00 0.00 H new ATOM 0 HB VAL A 52 7.952 16.132 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.720 17.803 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.680 17.025 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.565 16.542 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.603 16.592 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.548 15.266 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.964 14.916 2.589 1.00 0.00 H new ATOM 749 N PRO A 53 8.182 13.943 -0.762 1.00 0.00 N ATOM 750 CA PRO A 53 9.202 13.216 -1.510 1.00 0.00 C ATOM 751 C PRO A 53 10.374 12.651 -0.672 1.00 0.00 C ATOM 752 O PRO A 53 10.717 11.488 -0.820 1.00 0.00 O ATOM 753 CB PRO A 53 9.734 14.247 -2.537 1.00 0.00 C ATOM 754 CG PRO A 53 8.881 15.469 -2.371 1.00 0.00 C ATOM 755 CD PRO A 53 7.704 15.101 -1.523 1.00 0.00 C ATOM 0 HA PRO A 53 8.754 12.324 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.784 14.475 -2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.665 13.858 -3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.452 16.271 -1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.550 15.838 -3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.410 15.920 -0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.834 14.851 -2.130 1.00 0.00 H new ATOM 763 N PRO A 54 11.015 13.460 0.215 1.00 0.00 N ATOM 764 CA PRO A 54 12.096 12.959 1.069 1.00 0.00 C ATOM 765 C PRO A 54 11.653 11.829 1.991 1.00 0.00 C ATOM 766 O PRO A 54 10.698 11.958 2.753 1.00 0.00 O ATOM 767 CB PRO A 54 12.528 14.182 1.884 1.00 0.00 C ATOM 768 CG PRO A 54 11.426 15.170 1.750 1.00 0.00 C ATOM 769 CD PRO A 54 10.795 14.897 0.407 1.00 0.00 C ATOM 0 HA PRO A 54 12.900 12.529 0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.691 13.918 2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.466 14.590 1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.699 15.057 2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.806 16.190 1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.734 15.145 0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.262 15.484 -0.383 1.00 0.00 H new ATOM 777 N VAL A 55 12.388 10.740 1.925 1.00 0.00 N ATOM 778 CA VAL A 55 12.061 9.537 2.690 1.00 0.00 C ATOM 779 C VAL A 55 13.301 9.037 3.430 1.00 0.00 C ATOM 780 O VAL A 55 14.401 9.085 2.894 1.00 0.00 O ATOM 781 CB VAL A 55 11.456 8.430 1.790 1.00 0.00 C ATOM 782 CG1 VAL A 55 12.413 8.027 0.674 1.00 0.00 C ATOM 783 CG2 VAL A 55 11.043 7.227 2.620 1.00 0.00 C ATOM 0 H VAL A 55 13.224 10.654 1.347 1.00 0.00 H new ATOM 0 HA VAL A 55 11.298 9.796 3.424 1.00 0.00 H new ATOM 0 HB VAL A 55 10.563 8.839 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.954 7.249 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.632 8.894 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.339 7.649 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.621 6.462 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.915 6.824 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.296 7.530 3.354 1.00 0.00 H new ATOM 793 N GLN A 56 13.110 8.566 4.661 1.00 0.00 N ATOM 794 CA GLN A 56 14.217 8.122 5.486 1.00 0.00 C ATOM 795 C GLN A 56 14.386 6.609 5.367 1.00 0.00 C ATOM 796 O GLN A 56 13.563 5.841 5.859 1.00 0.00 O ATOM 797 CB GLN A 56 14.002 8.522 6.951 1.00 0.00 C ATOM 798 CG GLN A 56 15.130 8.095 7.875 1.00 0.00 C ATOM 799 CD GLN A 56 16.451 8.767 7.533 1.00 0.00 C ATOM 800 OE1 GLN A 56 17.221 8.261 6.713 1.00 0.00 O ATOM 801 NE2 GLN A 56 16.728 9.907 8.165 1.00 0.00 N ATOM 0 H GLN A 56 12.195 8.484 5.104 1.00 0.00 H new ATOM 0 HA GLN A 56 15.126 8.608 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.887 9.604 7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.069 8.083 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.861 8.332 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.251 7.013 7.819 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.064 10.292 8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.604 10.394 7.977 1.00 0.00 H new ATOM 810 N VAL A 57 15.439 6.189 4.686 1.00 0.00 N ATOM 811 CA VAL A 57 15.685 4.778 4.444 1.00 0.00 C ATOM 812 C VAL A 57 17.029 4.358 5.009 1.00 0.00 C ATOM 813 O VAL A 57 18.024 5.053 4.822 1.00 0.00 O ATOM 814 CB VAL A 57 15.624 4.457 2.930 1.00 0.00 C ATOM 815 CG1 VAL A 57 15.960 2.994 2.672 1.00 0.00 C ATOM 816 CG2 VAL A 57 14.245 4.802 2.378 1.00 0.00 C ATOM 0 H VAL A 57 16.142 6.811 4.288 1.00 0.00 H new ATOM 0 HA VAL A 57 14.902 4.214 4.951 1.00 0.00 H new ATOM 0 HB VAL A 57 16.368 5.065 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.911 2.793 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.966 2.782 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.244 2.359 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.212 4.573 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.488 4.216 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.049 5.864 2.527 1.00 0.00 H new ATOM 826 N PHE A 58 17.057 3.248 5.719 1.00 0.00 N ATOM 827 CA PHE A 58 18.311 2.692 6.195 1.00 0.00 C ATOM 828 C PHE A 58 18.861 1.743 5.130 1.00 0.00 C ATOM 829 O PHE A 58 18.240 0.746 4.788 1.00 0.00 O ATOM 830 CB PHE A 58 18.131 1.936 7.513 1.00 0.00 C ATOM 831 CG PHE A 58 19.416 1.350 8.044 1.00 0.00 C ATOM 832 CD1 PHE A 58 20.379 2.157 8.628 1.00 0.00 C ATOM 833 CD2 PHE A 58 19.646 -0.019 7.952 1.00 0.00 C ATOM 834 CE1 PHE A 58 21.554 1.609 9.109 1.00 0.00 C ATOM 835 CE2 PHE A 58 20.823 -0.561 8.435 1.00 0.00 C ATOM 836 CZ PHE A 58 21.776 0.249 9.012 1.00 0.00 C ATOM 0 H PHE A 58 16.229 2.713 5.979 1.00 0.00 H new ATOM 0 HA PHE A 58 19.007 3.511 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.713 2.613 8.258 1.00 0.00 H new ATOM 0 HB3 PHE A 58 17.407 1.135 7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.211 3.221 8.708 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.903 -0.661 7.502 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.300 2.246 9.562 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.996 -1.624 8.359 1.00 0.00 H new ATOM 0 HZ PHE A 58 22.694 -0.178 9.388 1.00 0.00 H new ATOM 846 N TRP A 59 20.026 2.061 4.609 1.00 0.00 N ATOM 847 CA TRP A 59 20.612 1.268 3.544 1.00 0.00 C ATOM 848 C TRP A 59 21.501 0.181 4.124 1.00 0.00 C ATOM 849 O TRP A 59 22.547 0.470 4.712 1.00 0.00 O ATOM 850 CB TRP A 59 21.384 2.155 2.567 1.00 0.00 C ATOM 851 CG TRP A 59 20.483 3.109 1.847 1.00 0.00 C ATOM 852 CD1 TRP A 59 20.229 4.408 2.166 1.00 0.00 C ATOM 853 CD2 TRP A 59 19.725 2.821 0.666 1.00 0.00 C ATOM 854 NE1 TRP A 59 19.329 4.944 1.271 1.00 0.00 N ATOM 855 CE2 TRP A 59 19.013 3.991 0.339 1.00 0.00 C ATOM 856 CE3 TRP A 59 19.565 1.689 -0.136 1.00 0.00 C ATOM 857 CZ2 TRP A 59 18.165 4.063 -0.757 1.00 0.00 C ATOM 858 CZ3 TRP A 59 18.715 1.762 -1.220 1.00 0.00 C ATOM 859 CH2 TRP A 59 18.029 2.947 -1.530 1.00 0.00 C ATOM 0 H TRP A 59 20.587 2.861 4.903 1.00 0.00 H new ATOM 0 HA TRP A 59 19.809 0.787 2.986 1.00 0.00 H new ATOM 0 HB2 TRP A 59 22.146 2.715 3.109 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.904 1.529 1.842 1.00 0.00 H new ATOM 0 HD1 TRP A 59 20.668 4.940 2.997 1.00 0.00 H new ATOM 0 HE1 TRP A 59 18.959 5.894 1.298 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.096 0.775 0.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 17.631 4.972 -0.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 18.575 0.891 -1.842 1.00 0.00 H new ATOM 0 HH2 TRP A 59 17.383 2.976 -2.395 1.00 0.00 H new ATOM 870 N GLU A 60 21.077 -1.079 3.955 1.00 0.00 N ATOM 871 CA GLU A 60 21.779 -2.217 4.517 1.00 0.00 C ATOM 872 C GLU A 60 23.119 -2.418 3.826 1.00 0.00 C ATOM 873 O GLU A 60 24.111 -2.797 4.450 1.00 0.00 O ATOM 874 CB GLU A 60 20.921 -3.466 4.363 1.00 0.00 C ATOM 875 CG GLU A 60 19.529 -3.326 4.963 1.00 0.00 C ATOM 876 CD GLU A 60 18.628 -4.491 4.607 1.00 0.00 C ATOM 877 OE1 GLU A 60 18.114 -4.508 3.475 1.00 0.00 O ATOM 878 OE2 GLU A 60 18.422 -5.387 5.462 1.00 0.00 O ATOM 0 H GLU A 60 20.241 -1.326 3.426 1.00 0.00 H new ATOM 0 HA GLU A 60 21.966 -2.029 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.829 -3.705 3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 60 21.429 -4.306 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.609 -3.250 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.076 -2.399 4.611 1.00 0.00 H new ATOM 885 N SER A 61 23.125 -2.170 2.525 1.00 0.00 N ATOM 886 CA SER A 61 24.323 -2.273 1.719 1.00 0.00 C ATOM 887 C SER A 61 25.414 -1.285 2.190 1.00 0.00 C ATOM 888 O SER A 61 26.591 -1.636 2.241 1.00 0.00 O ATOM 889 CB SER A 61 23.962 -2.012 0.247 1.00 0.00 C ATOM 890 OG SER A 61 25.092 -2.098 -0.603 1.00 0.00 O ATOM 0 H SER A 61 22.295 -1.891 2.001 1.00 0.00 H new ATOM 0 HA SER A 61 24.730 -3.278 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.211 -2.734 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.514 -1.023 0.154 1.00 0.00 H new ATOM 0 HG SER A 61 25.130 -1.306 -1.178 1.00 0.00 H new ATOM 896 N THR A 62 24.999 -0.094 2.558 1.00 0.00 N ATOM 897 CA THR A 62 25.928 0.944 2.982 1.00 0.00 C ATOM 898 C THR A 62 26.177 0.892 4.490 1.00 0.00 C ATOM 899 O THR A 62 27.314 0.823 4.945 1.00 0.00 O ATOM 900 CB THR A 62 25.381 2.332 2.615 1.00 0.00 C ATOM 901 OG1 THR A 62 24.910 2.323 1.260 1.00 0.00 O ATOM 902 CG2 THR A 62 26.444 3.406 2.781 1.00 0.00 C ATOM 0 H THR A 62 24.019 0.187 2.574 1.00 0.00 H new ATOM 0 HA THR A 62 26.871 0.766 2.465 1.00 0.00 H new ATOM 0 HB THR A 62 24.557 2.562 3.291 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.560 3.209 1.029 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.026 4.376 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 62 26.779 3.429 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 62 27.290 3.184 2.131 1.00 0.00 H new ATOM 910 N GLY A 63 25.089 0.942 5.243 1.00 0.00 N ATOM 911 CA GLY A 63 25.166 0.893 6.681 1.00 0.00 C ATOM 912 C GLY A 63 24.775 2.209 7.322 1.00 0.00 C ATOM 913 O GLY A 63 25.144 2.495 8.460 1.00 0.00 O ATOM 0 H GLY A 63 24.142 1.017 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.513 0.103 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 63 26.182 0.633 6.980 1.00 0.00 H new ATOM 917 N ARG A 64 24.043 3.015 6.576 1.00 0.00 N ATOM 918 CA ARG A 64 23.625 4.327 7.036 1.00 0.00 C ATOM 919 C ARG A 64 22.212 4.620 6.575 1.00 0.00 C ATOM 920 O ARG A 64 21.698 3.995 5.645 1.00 0.00 O ATOM 921 CB ARG A 64 24.556 5.420 6.484 1.00 0.00 C ATOM 922 CG ARG A 64 24.531 5.526 4.969 1.00 0.00 C ATOM 923 CD ARG A 64 25.231 6.783 4.468 1.00 0.00 C ATOM 924 NE ARG A 64 24.462 7.998 4.712 1.00 0.00 N ATOM 925 CZ ARG A 64 24.767 9.192 4.194 1.00 0.00 C ATOM 926 NH1 ARG A 64 25.802 9.314 3.368 1.00 0.00 N ATOM 927 NH2 ARG A 64 24.040 10.258 4.485 1.00 0.00 N ATOM 0 H ARG A 64 23.722 2.780 5.637 1.00 0.00 H new ATOM 0 HA ARG A 64 23.669 4.327 8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.270 6.381 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.576 5.216 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.012 4.648 4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.497 5.526 4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.202 6.870 4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.418 6.686 3.399 1.00 0.00 H new ATOM 0 HE ARG A 64 23.642 7.933 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 64 26.363 8.496 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 64 26.035 10.225 2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 64 23.238 10.173 5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 64 24.281 11.165 4.085 1.00 0.00 H new ATOM 941 N THR A 65 21.591 5.580 7.243 1.00 0.00 N ATOM 942 CA THR A 65 20.320 6.111 6.817 1.00 0.00 C ATOM 943 C THR A 65 20.558 7.237 5.805 1.00 0.00 C ATOM 944 O THR A 65 21.632 7.836 5.772 1.00 0.00 O ATOM 945 CB THR A 65 19.511 6.647 8.018 1.00 0.00 C ATOM 946 OG1 THR A 65 20.365 7.429 8.863 1.00 0.00 O ATOM 947 CG2 THR A 65 18.914 5.498 8.825 1.00 0.00 C ATOM 0 H THR A 65 21.959 6.007 8.093 1.00 0.00 H new ATOM 0 HA THR A 65 19.744 5.310 6.353 1.00 0.00 H new ATOM 0 HB THR A 65 18.698 7.266 7.638 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.849 7.770 9.624 1.00 0.00 H new ATOM 0 HG21 THR A 65 18.348 5.899 9.666 1.00 0.00 H new ATOM 0 HG22 THR A 65 18.251 4.912 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.716 4.860 9.198 1.00 0.00 H new ATOM 955 N TYR A 66 19.559 7.501 4.974 1.00 0.00 N ATOM 956 CA TYR A 66 19.665 8.535 3.970 1.00 0.00 C ATOM 957 C TYR A 66 18.272 8.970 3.530 1.00 0.00 C ATOM 958 O TYR A 66 17.345 8.150 3.505 1.00 0.00 O ATOM 959 CB TYR A 66 20.467 8.031 2.762 1.00 0.00 C ATOM 960 CG TYR A 66 20.708 9.068 1.701 1.00 0.00 C ATOM 961 CD1 TYR A 66 21.543 10.166 1.945 1.00 0.00 C ATOM 962 CD2 TYR A 66 20.117 8.969 0.447 1.00 0.00 C ATOM 963 CE1 TYR A 66 21.762 11.119 0.974 1.00 0.00 C ATOM 964 CE2 TYR A 66 20.333 9.929 -0.525 1.00 0.00 C ATOM 965 CZ TYR A 66 21.157 11.001 -0.250 1.00 0.00 C ATOM 966 OH TYR A 66 21.367 11.968 -1.221 1.00 0.00 O ATOM 0 H TYR A 66 18.666 7.008 4.981 1.00 0.00 H new ATOM 0 HA TYR A 66 20.189 9.389 4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 66 21.429 7.655 3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 66 19.938 7.188 2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 66 22.022 10.267 2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.477 8.127 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 66 22.410 11.959 1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 66 19.860 9.840 -1.492 1.00 0.00 H new ATOM 0 HH TYR A 66 20.866 11.733 -2.030 1.00 0.00 H new ATOM 976 N TRP A 67 18.109 10.247 3.197 1.00 0.00 N ATOM 977 CA TRP A 67 16.836 10.736 2.709 1.00 0.00 C ATOM 978 C TRP A 67 16.795 10.593 1.202 1.00 0.00 C ATOM 979 O TRP A 67 17.563 11.246 0.487 1.00 0.00 O ATOM 980 CB TRP A 67 16.619 12.209 3.098 1.00 0.00 C ATOM 981 CG TRP A 67 16.672 12.444 4.576 1.00 0.00 C ATOM 982 CD1 TRP A 67 15.689 12.192 5.488 1.00 0.00 C ATOM 983 CD2 TRP A 67 17.772 12.997 5.324 1.00 0.00 C ATOM 984 NE1 TRP A 67 16.104 12.541 6.748 1.00 0.00 N ATOM 985 CE2 TRP A 67 17.386 13.038 6.677 1.00 0.00 C ATOM 986 CE3 TRP A 67 19.053 13.458 4.967 1.00 0.00 C ATOM 987 CZ2 TRP A 67 18.224 13.526 7.666 1.00 0.00 C ATOM 988 CZ3 TRP A 67 19.884 13.934 5.953 1.00 0.00 C ATOM 989 CH2 TRP A 67 19.465 13.968 7.296 1.00 0.00 C ATOM 0 H TRP A 67 18.842 10.954 3.258 1.00 0.00 H new ATOM 0 HA TRP A 67 16.039 10.147 3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 67 17.378 12.822 2.612 1.00 0.00 H new ATOM 0 HB3 TRP A 67 15.652 12.539 2.719 1.00 0.00 H new ATOM 0 HD1 TRP A 67 14.721 11.776 5.251 1.00 0.00 H new ATOM 0 HE1 TRP A 67 15.552 12.447 7.600 1.00 0.00 H new ATOM 0 HE3 TRP A 67 19.377 13.438 3.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 17.907 13.557 8.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 20.871 14.287 5.694 1.00 0.00 H new ATOM 0 HH2 TRP A 67 20.137 14.351 8.050 1.00 0.00 H new ATOM 1000 N VAL A 68 15.905 9.743 0.718 1.00 0.00 N ATOM 1001 CA VAL A 68 15.823 9.415 -0.692 1.00 0.00 C ATOM 1002 C VAL A 68 14.525 9.970 -1.283 1.00 0.00 C ATOM 1003 O VAL A 68 13.961 10.931 -0.768 1.00 0.00 O ATOM 1004 CB VAL A 68 15.914 7.883 -0.921 1.00 0.00 C ATOM 1005 CG1 VAL A 68 16.521 7.561 -2.278 1.00 0.00 C ATOM 1006 CG2 VAL A 68 16.703 7.215 0.193 1.00 0.00 C ATOM 0 H VAL A 68 15.217 9.260 1.296 1.00 0.00 H new ATOM 0 HA VAL A 68 16.671 9.876 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 68 14.899 7.486 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.571 6.480 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.902 7.992 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.526 7.980 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.753 6.142 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.712 7.626 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.210 7.398 1.148 1.00 0.00 H new ATOM 1016 N HIS A 69 14.057 9.349 -2.366 1.00 0.00 N ATOM 1017 CA HIS A 69 12.918 9.879 -3.103 1.00 0.00 C ATOM 1018 C HIS A 69 11.999 8.727 -3.512 1.00 0.00 C ATOM 1019 O HIS A 69 12.488 7.688 -3.971 1.00 0.00 O ATOM 1020 CB HIS A 69 13.371 10.666 -4.328 1.00 0.00 C ATOM 1021 CG HIS A 69 13.845 12.039 -4.012 1.00 0.00 C ATOM 1022 ND1 HIS A 69 15.135 12.456 -4.211 1.00 0.00 N ATOM 1023 CD2 HIS A 69 13.195 13.111 -3.495 1.00 0.00 C ATOM 1024 CE1 HIS A 69 15.264 13.718 -3.837 1.00 0.00 C ATOM 1025 NE2 HIS A 69 14.081 14.127 -3.395 1.00 0.00 N ATOM 0 H HIS A 69 14.447 8.487 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 69 12.371 10.566 -2.457 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.173 10.119 -4.825 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.544 10.730 -5.035 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.153 13.147 -3.213 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.167 14.308 -3.883 1.00 0.00 H new ATOM 0 HE2 HIS A 69 13.874 15.059 -3.037 1.00 0.00 H new ATOM 1034 N TRP A 70 10.702 8.906 -3.333 1.00 0.00 N ATOM 1035 CA TRP A 70 9.714 7.876 -3.669 1.00 0.00 C ATOM 1036 C TRP A 70 9.883 7.345 -5.101 1.00 0.00 C ATOM 1037 O TRP A 70 9.911 6.141 -5.304 1.00 0.00 O ATOM 1038 CB TRP A 70 8.302 8.436 -3.498 1.00 0.00 C ATOM 1039 CG TRP A 70 7.975 8.829 -2.099 1.00 0.00 C ATOM 1040 CD1 TRP A 70 7.995 10.086 -1.589 1.00 0.00 C ATOM 1041 CD2 TRP A 70 7.585 7.969 -1.026 1.00 0.00 C ATOM 1042 NE1 TRP A 70 7.636 10.067 -0.259 1.00 0.00 N ATOM 1043 CE2 TRP A 70 7.375 8.781 0.111 1.00 0.00 C ATOM 1044 CE3 TRP A 70 7.388 6.593 -0.905 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 6.986 8.274 1.333 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 6.994 6.089 0.318 1.00 0.00 C ATOM 1047 CH2 TRP A 70 6.797 6.924 1.426 1.00 0.00 C ATOM 0 H TRP A 70 10.298 9.762 -2.953 1.00 0.00 H new ATOM 0 HA TRP A 70 9.876 7.041 -2.987 1.00 0.00 H new ATOM 0 HB2 TRP A 70 8.185 9.305 -4.146 1.00 0.00 H new ATOM 0 HB3 TRP A 70 7.582 7.689 -3.833 1.00 0.00 H new ATOM 0 HD1 TRP A 70 8.255 10.974 -2.146 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.575 10.883 0.350 1.00 0.00 H new ATOM 0 HE3 TRP A 70 7.540 5.937 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.836 8.920 2.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 6.834 5.026 0.424 1.00 0.00 H new ATOM 0 HH2 TRP A 70 6.491 6.494 2.368 1.00 0.00 H new ATOM 1058 N HIS A 71 10.001 8.237 -6.066 1.00 0.00 N ATOM 1059 CA HIS A 71 9.983 7.829 -7.470 1.00 0.00 C ATOM 1060 C HIS A 71 11.244 7.075 -7.895 1.00 0.00 C ATOM 1061 O HIS A 71 11.346 6.665 -9.054 1.00 0.00 O ATOM 1062 CB HIS A 71 9.753 9.026 -8.407 1.00 0.00 C ATOM 1063 CG HIS A 71 10.896 9.988 -8.509 1.00 0.00 C ATOM 1064 ND1 HIS A 71 11.825 9.982 -9.532 1.00 0.00 N ATOM 1065 CD2 HIS A 71 11.231 11.041 -7.740 1.00 0.00 C ATOM 1066 CE1 HIS A 71 12.674 10.972 -9.386 1.00 0.00 C ATOM 1067 NE2 HIS A 71 12.345 11.639 -8.296 1.00 0.00 N ATOM 0 H HIS A 71 10.110 9.240 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 71 9.144 7.139 -7.559 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.528 8.648 -9.404 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.872 9.569 -8.066 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.718 11.362 -6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.499 11.201 -10.044 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.830 12.457 -7.927 1.00 0.00 H new ATOM 1076 N MET A 72 12.205 6.864 -6.998 1.00 0.00 N ATOM 1077 CA MET A 72 13.418 6.135 -7.349 1.00 0.00 C ATOM 1078 C MET A 72 13.649 4.899 -6.468 1.00 0.00 C ATOM 1079 O MET A 72 14.740 4.330 -6.490 1.00 0.00 O ATOM 1080 CB MET A 72 14.639 7.065 -7.306 1.00 0.00 C ATOM 1081 CG MET A 72 14.851 7.749 -5.962 1.00 0.00 C ATOM 1082 SD MET A 72 16.195 8.946 -5.968 1.00 0.00 S ATOM 1083 CE MET A 72 15.736 10.020 -7.313 1.00 0.00 C ATOM 0 H MET A 72 12.167 7.185 -6.031 1.00 0.00 H new ATOM 0 HA MET A 72 13.281 5.772 -8.367 1.00 0.00 H new ATOM 0 HB2 MET A 72 15.531 6.489 -7.553 1.00 0.00 H new ATOM 0 HB3 MET A 72 14.529 7.828 -8.077 1.00 0.00 H new ATOM 0 HG2 MET A 72 13.929 8.252 -5.670 1.00 0.00 H new ATOM 0 HG3 MET A 72 15.054 6.991 -5.206 1.00 0.00 H new ATOM 0 HE1 MET A 72 16.226 10.986 -7.191 1.00 0.00 H new ATOM 0 HE2 MET A 72 16.046 9.573 -8.258 1.00 0.00 H new ATOM 0 HE3 MET A 72 14.655 10.159 -7.315 1.00 0.00 H new ATOM 1093 N LEU A 73 12.629 4.475 -5.737 1.00 0.00 N ATOM 1094 CA LEU A 73 12.752 3.327 -4.844 1.00 0.00 C ATOM 1095 C LEU A 73 11.918 2.172 -5.345 1.00 0.00 C ATOM 1096 O LEU A 73 10.769 2.357 -5.751 1.00 0.00 O ATOM 1097 CB LEU A 73 12.319 3.704 -3.423 1.00 0.00 C ATOM 1098 CG LEU A 73 13.210 4.707 -2.726 1.00 0.00 C ATOM 1099 CD1 LEU A 73 12.668 5.023 -1.328 1.00 0.00 C ATOM 1100 CD2 LEU A 73 14.645 4.180 -2.616 1.00 0.00 C ATOM 0 H LEU A 73 11.705 4.907 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 73 13.798 3.022 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.307 4.107 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.278 2.797 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 73 13.218 5.620 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.321 5.746 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.664 5.439 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.633 4.108 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.266 4.919 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.649 3.252 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.042 3.993 -3.614 1.00 0.00 H new ATOM 1112 N GLU A 74 12.499 0.967 -5.343 1.00 0.00 N ATOM 1113 CA GLU A 74 11.774 -0.230 -5.736 1.00 0.00 C ATOM 1114 C GLU A 74 11.193 -0.904 -4.511 1.00 0.00 C ATOM 1115 O GLU A 74 11.900 -1.131 -3.522 1.00 0.00 O ATOM 1116 CB GLU A 74 12.692 -1.216 -6.459 1.00 0.00 C ATOM 1117 CG GLU A 74 11.990 -2.478 -6.945 1.00 0.00 C ATOM 1118 CD GLU A 74 12.937 -3.520 -7.554 1.00 0.00 C ATOM 1119 OE1 GLU A 74 14.090 -3.162 -7.830 1.00 0.00 O ATOM 1120 OE2 GLU A 74 12.528 -4.688 -7.745 1.00 0.00 O ATOM 0 H GLU A 74 13.469 0.803 -5.073 1.00 0.00 H new ATOM 0 HA GLU A 74 10.974 0.068 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.146 -0.714 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.503 -1.500 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.457 -2.930 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.242 -2.203 -7.688 1.00 0.00 H new ATOM 1127 N ILE A 75 9.921 -1.229 -4.564 1.00 0.00 N ATOM 1128 CA ILE A 75 9.285 -1.944 -3.474 1.00 0.00 C ATOM 1129 C ILE A 75 9.649 -3.429 -3.558 1.00 0.00 C ATOM 1130 O ILE A 75 9.368 -4.105 -4.548 1.00 0.00 O ATOM 1131 CB ILE A 75 7.737 -1.720 -3.471 1.00 0.00 C ATOM 1132 CG1 ILE A 75 7.068 -2.375 -2.239 1.00 0.00 C ATOM 1133 CG2 ILE A 75 7.101 -2.226 -4.768 1.00 0.00 C ATOM 1134 CD1 ILE A 75 6.836 -3.865 -2.350 1.00 0.00 C ATOM 0 H ILE A 75 9.305 -1.011 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 75 9.654 -1.551 -2.527 1.00 0.00 H new ATOM 0 HB ILE A 75 7.567 -0.645 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.689 -2.184 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.110 -1.886 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.025 -2.056 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.528 -1.690 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.297 -3.293 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.363 -4.229 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.187 -4.070 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.790 -4.372 -2.491 1.00 0.00 H new ATOM 1146 N LEU A 76 10.313 -3.914 -2.537 1.00 0.00 N ATOM 1147 CA LEU A 76 10.724 -5.304 -2.489 1.00 0.00 C ATOM 1148 C LEU A 76 9.891 -6.041 -1.455 1.00 0.00 C ATOM 1149 O LEU A 76 9.242 -7.035 -1.759 1.00 0.00 O ATOM 1150 CB LEU A 76 12.209 -5.398 -2.167 1.00 0.00 C ATOM 1151 CG LEU A 76 12.846 -6.785 -2.357 1.00 0.00 C ATOM 1152 CD1 LEU A 76 12.703 -7.257 -3.788 1.00 0.00 C ATOM 1153 CD2 LEU A 76 14.316 -6.722 -1.979 1.00 0.00 C ATOM 0 H LEU A 76 10.584 -3.366 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 76 10.562 -5.769 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.744 -4.684 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.358 -5.089 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 76 12.329 -7.496 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.162 -8.240 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.646 -7.320 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.198 -6.551 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.769 -7.704 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.825 -5.998 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.411 -6.418 -0.937 1.00 0.00 H new ATOM 1165 N GLY A 77 9.879 -5.513 -0.246 1.00 0.00 N ATOM 1166 CA GLY A 77 9.102 -6.121 0.819 1.00 0.00 C ATOM 1167 C GLY A 77 9.971 -6.913 1.755 1.00 0.00 C ATOM 1168 O GLY A 77 11.035 -6.435 2.166 1.00 0.00 O ATOM 0 H GLY A 77 10.392 -4.673 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.578 -5.345 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.341 -6.772 0.389 1.00 0.00 H new ATOM 1172 N PHE A 78 9.533 -8.101 2.113 1.00 0.00 N ATOM 1173 CA PHE A 78 10.316 -8.971 2.974 1.00 0.00 C ATOM 1174 C PHE A 78 9.731 -10.381 2.951 1.00 0.00 C ATOM 1175 O PHE A 78 10.469 -11.366 2.986 1.00 0.00 O ATOM 1176 CB PHE A 78 10.356 -8.429 4.409 1.00 0.00 C ATOM 1177 CG PHE A 78 11.415 -9.076 5.263 1.00 0.00 C ATOM 1178 CD1 PHE A 78 12.752 -8.737 5.102 1.00 0.00 C ATOM 1179 CD2 PHE A 78 11.068 -10.022 6.216 1.00 0.00 C ATOM 1180 CE1 PHE A 78 13.730 -9.328 5.881 1.00 0.00 C ATOM 1181 CE2 PHE A 78 12.044 -10.615 6.997 1.00 0.00 C ATOM 1182 CZ PHE A 78 13.371 -10.270 6.825 1.00 0.00 C ATOM 0 H PHE A 78 8.636 -8.490 1.822 1.00 0.00 H new ATOM 0 HA PHE A 78 11.339 -9.003 2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 78 10.531 -7.354 4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.382 -8.580 4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.031 -8.004 4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.032 -10.297 6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.767 -9.055 5.752 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.769 -11.348 7.741 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.131 -10.739 7.432 1.00 0.00 H new ATOM 1192 N GLU A 79 8.418 -10.460 2.886 1.00 0.00 N ATOM 1193 CA GLU A 79 7.741 -11.753 2.834 1.00 0.00 C ATOM 1194 C GLU A 79 8.094 -12.455 1.535 1.00 0.00 C ATOM 1195 O GLU A 79 8.307 -13.674 1.495 1.00 0.00 O ATOM 1196 CB GLU A 79 6.220 -11.572 2.920 1.00 0.00 C ATOM 1197 CG GLU A 79 5.760 -10.542 3.944 1.00 0.00 C ATOM 1198 CD GLU A 79 5.808 -9.130 3.382 1.00 0.00 C ATOM 1199 OE1 GLU A 79 4.866 -8.738 2.667 1.00 0.00 O ATOM 1200 OE2 GLU A 79 6.803 -8.419 3.646 1.00 0.00 O ATOM 0 H GLU A 79 7.795 -9.653 2.868 1.00 0.00 H new ATOM 0 HA GLU A 79 8.069 -12.354 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.846 -11.281 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.766 -12.533 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.743 -10.773 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.392 -10.603 4.830 1.00 0.00 H new ATOM 1207 N GLU A 80 8.209 -11.690 0.469 1.00 0.00 N ATOM 1208 CA GLU A 80 8.476 -12.232 -0.855 1.00 0.00 C ATOM 1209 C GLU A 80 9.981 -12.377 -1.110 1.00 0.00 C ATOM 1210 O GLU A 80 10.406 -12.642 -2.235 1.00 0.00 O ATOM 1211 CB GLU A 80 7.856 -11.344 -1.931 1.00 0.00 C ATOM 1212 CG GLU A 80 6.338 -11.339 -1.896 1.00 0.00 C ATOM 1213 CD GLU A 80 5.740 -10.650 -3.105 1.00 0.00 C ATOM 1214 OE1 GLU A 80 5.739 -11.257 -4.197 1.00 0.00 O ATOM 1215 OE2 GLU A 80 5.265 -9.501 -2.962 1.00 0.00 O ATOM 0 H GLU A 80 8.121 -10.674 0.492 1.00 0.00 H new ATOM 0 HA GLU A 80 8.024 -13.223 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.220 -10.324 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.190 -11.684 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.974 -12.365 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.999 -10.838 -0.990 1.00 0.00 H new TER 1222 GLU A 80