USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= -0.916 K(o=-0.92,f=-2.3) USER MOD Single : A 2 ASN : amide:sc= -2.91! C(o=-2.9!,f=-3.3!) USER MOD Single : A 3 SER OG : rot -78:sc= 0.848 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.966) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 HIS : no HD1:sc= 1.03 K(o=1,f=-5!) USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 1.22 (180deg=-0.204!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 1.12 (180deg=0.689) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= 2.37 (180deg=0.899) USER MOD Single : A 45 THR OG1 : rot -160:sc=-0.00113 USER MOD Single : A 46 TYR OH : rot 180:sc=-0.000659 USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= 1.2 (180deg=0.923) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= -0.0291 (180deg=-0.243) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -81:sc= 1.2 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 88 THR OG1 : rot 121:sc= 1.34 USER MOD Single : A 91 SER OG : rot 88:sc= 1.06 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 81.411 -10.711 -5.598 1.00 0.00 N ATOM 21 CA ASN A 2 82.603 -10.740 -6.431 1.00 0.00 C ATOM 22 C ASN A 2 82.974 -9.321 -6.831 1.00 0.00 C ATOM 23 O ASN A 2 82.251 -8.373 -6.517 1.00 0.00 O ATOM 24 CB ASN A 2 82.397 -11.589 -7.696 1.00 0.00 C ATOM 25 CG ASN A 2 82.074 -13.044 -7.418 1.00 0.00 C ATOM 26 OD1 ASN A 2 81.323 -13.369 -6.501 1.00 0.00 O ATOM 27 ND2 ASN A 2 82.662 -13.934 -8.203 1.00 0.00 N ATOM 0 HA ASN A 2 83.406 -11.194 -5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 2 81.589 -11.155 -8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 2 83.299 -11.538 -8.306 1.00 0.00 H new ATOM 0 HD21 ASN A 2 82.498 -14.930 -8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 2 83.279 -13.623 -8.954 1.00 0.00 H new ATOM 34 N SER A 3 84.086 -9.180 -7.538 1.00 0.00 N ATOM 35 CA SER A 3 84.537 -7.877 -8.013 1.00 0.00 C ATOM 36 C SER A 3 83.512 -7.277 -8.972 1.00 0.00 C ATOM 37 O SER A 3 83.364 -6.058 -9.063 1.00 0.00 O ATOM 38 CB SER A 3 85.903 -8.014 -8.691 1.00 0.00 C ATOM 39 OG SER A 3 85.904 -9.079 -9.629 1.00 0.00 O ATOM 0 H SER A 3 84.696 -9.955 -7.797 1.00 0.00 H new ATOM 0 HA SER A 3 84.638 -7.203 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.157 -7.081 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.671 -8.189 -7.937 1.00 0.00 H new ATOM 0 HG SER A 3 85.986 -9.933 -9.155 1.00 0.00 H new ATOM 45 N GLU A 4 82.795 -8.156 -9.664 1.00 0.00 N ATOM 46 CA GLU A 4 81.724 -7.764 -10.573 1.00 0.00 C ATOM 47 C GLU A 4 80.663 -6.936 -9.845 1.00 0.00 C ATOM 48 O GLU A 4 80.243 -5.881 -10.323 1.00 0.00 O ATOM 49 CB GLU A 4 81.089 -9.025 -11.162 1.00 0.00 C ATOM 50 CG GLU A 4 79.862 -8.768 -12.018 1.00 0.00 C ATOM 51 CD GLU A 4 79.124 -10.046 -12.349 1.00 0.00 C ATOM 52 OE1 GLU A 4 79.472 -10.695 -13.358 1.00 0.00 O ATOM 53 OE2 GLU A 4 78.195 -10.416 -11.598 1.00 0.00 O ATOM 0 H GLU A 4 82.941 -9.164 -9.610 1.00 0.00 H new ATOM 0 HA GLU A 4 82.141 -7.148 -11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.834 -9.545 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.814 -9.694 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.191 -8.087 -11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.162 -8.273 -12.942 1.00 0.00 H new ATOM 60 N VAL A 5 80.254 -7.419 -8.675 1.00 0.00 N ATOM 61 CA VAL A 5 79.224 -6.759 -7.882 1.00 0.00 C ATOM 62 C VAL A 5 79.695 -5.374 -7.452 1.00 0.00 C ATOM 63 O VAL A 5 78.925 -4.410 -7.452 1.00 0.00 O ATOM 64 CB VAL A 5 78.861 -7.586 -6.629 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.701 -6.952 -5.874 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.529 -9.022 -7.011 1.00 0.00 C ATOM 0 H VAL A 5 80.624 -8.271 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 5 78.336 -6.668 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 5 79.729 -7.596 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.466 -7.554 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.978 -5.946 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.828 -6.902 -6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 5 78.276 -9.588 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.681 -9.030 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 5 79.392 -9.478 -7.496 1.00 0.00 H new ATOM 76 N ILE A 6 80.972 -5.282 -7.107 1.00 0.00 N ATOM 77 CA ILE A 6 81.568 -4.017 -6.709 1.00 0.00 C ATOM 78 C ILE A 6 81.537 -3.031 -7.872 1.00 0.00 C ATOM 79 O ILE A 6 81.190 -1.865 -7.697 1.00 0.00 O ATOM 80 CB ILE A 6 83.022 -4.206 -6.223 1.00 0.00 C ATOM 81 CG1 ILE A 6 83.064 -5.213 -5.070 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.623 -2.874 -5.791 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.459 -5.493 -4.557 1.00 0.00 C ATOM 0 H ILE A 6 81.616 -6.073 -7.095 1.00 0.00 H new ATOM 0 HA ILE A 6 80.981 -3.620 -5.881 1.00 0.00 H new ATOM 0 HB ILE A 6 83.617 -4.594 -7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.453 -4.837 -4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.613 -6.149 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.647 -3.030 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.621 -2.183 -6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.032 -2.455 -4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.409 -6.215 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 6 85.069 -5.899 -5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.906 -4.567 -4.195 1.00 0.00 H new ATOM 95 N LYS A 7 81.878 -3.518 -9.064 1.00 0.00 N ATOM 96 CA LYS A 7 81.855 -2.692 -10.269 1.00 0.00 C ATOM 97 C LYS A 7 80.464 -2.128 -10.511 1.00 0.00 C ATOM 98 O LYS A 7 80.308 -0.945 -10.807 1.00 0.00 O ATOM 99 CB LYS A 7 82.285 -3.500 -11.492 1.00 0.00 C ATOM 100 CG LYS A 7 83.718 -3.986 -11.435 1.00 0.00 C ATOM 101 CD LYS A 7 84.090 -4.723 -12.707 1.00 0.00 C ATOM 102 CE LYS A 7 85.528 -5.191 -12.669 1.00 0.00 C ATOM 103 NZ LYS A 7 85.938 -5.829 -13.945 1.00 0.00 N ATOM 0 H LYS A 7 82.174 -4.482 -9.221 1.00 0.00 H new ATOM 0 HA LYS A 7 82.556 -1.871 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.624 -4.360 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.155 -2.887 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.388 -3.138 -11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.849 -4.645 -10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.430 -5.580 -12.840 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.940 -4.069 -13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.180 -4.343 -12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.657 -5.900 -11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.976 -5.843 -14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.576 -6.803 -13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.550 -5.288 -14.744 1.00 0.00 H new ATOM 117 N GLU A 8 79.459 -2.984 -10.374 1.00 0.00 N ATOM 118 CA GLU A 8 78.075 -2.579 -10.567 1.00 0.00 C ATOM 119 C GLU A 8 77.728 -1.434 -9.624 1.00 0.00 C ATOM 120 O GLU A 8 77.167 -0.422 -10.039 1.00 0.00 O ATOM 121 CB GLU A 8 77.139 -3.763 -10.319 1.00 0.00 C ATOM 122 CG GLU A 8 75.720 -3.529 -10.807 1.00 0.00 C ATOM 123 CD GLU A 8 75.644 -3.399 -12.314 1.00 0.00 C ATOM 124 OE1 GLU A 8 75.729 -4.436 -13.001 1.00 0.00 O ATOM 125 OE2 GLU A 8 75.488 -2.268 -12.817 1.00 0.00 O ATOM 0 H GLU A 8 79.579 -3.967 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 8 77.949 -2.240 -11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.544 -4.645 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 8 77.116 -3.980 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 8 75.086 -4.355 -10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 8 75.324 -2.624 -10.346 1.00 0.00 H new ATOM 132 N PHE A 9 78.095 -1.594 -8.358 1.00 0.00 N ATOM 133 CA PHE A 9 77.859 -0.569 -7.349 1.00 0.00 C ATOM 134 C PHE A 9 78.587 0.724 -7.710 1.00 0.00 C ATOM 135 O PHE A 9 78.009 1.809 -7.659 1.00 0.00 O ATOM 136 CB PHE A 9 78.318 -1.073 -5.977 1.00 0.00 C ATOM 137 CG PHE A 9 78.156 -0.069 -4.869 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.902 0.231 -4.365 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.262 0.569 -4.328 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.751 1.148 -3.343 1.00 0.00 C ATOM 141 CE2 PHE A 9 79.117 1.488 -3.306 1.00 0.00 C ATOM 142 CZ PHE A 9 77.860 1.778 -2.813 1.00 0.00 C ATOM 0 H PHE A 9 78.560 -2.430 -8.004 1.00 0.00 H new ATOM 0 HA PHE A 9 76.790 -0.358 -7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.754 -1.971 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.367 -1.362 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.031 -0.258 -4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.247 0.345 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.767 1.372 -2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.986 1.979 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.744 2.496 -2.015 1.00 0.00 H new ATOM 152 N LEU A 10 79.851 0.596 -8.102 1.00 0.00 N ATOM 153 CA LEU A 10 80.685 1.750 -8.424 1.00 0.00 C ATOM 154 C LEU A 10 80.154 2.500 -9.644 1.00 0.00 C ATOM 155 O LEU A 10 80.201 3.730 -9.696 1.00 0.00 O ATOM 156 CB LEU A 10 82.129 1.304 -8.657 1.00 0.00 C ATOM 157 CG LEU A 10 82.808 0.675 -7.438 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.180 0.139 -7.805 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.916 1.686 -6.308 1.00 0.00 C ATOM 0 H LEU A 10 80.323 -0.302 -8.205 1.00 0.00 H new ATOM 0 HA LEU A 10 80.656 2.435 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.145 0.585 -9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.714 2.166 -8.977 1.00 0.00 H new ATOM 0 HG LEU A 10 82.195 -0.159 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.645 -0.304 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.079 -0.619 -8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.803 0.954 -8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.401 1.222 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.506 2.541 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.919 2.022 -6.024 1.00 0.00 H new ATOM 171 N GLU A 11 79.640 1.766 -10.619 1.00 0.00 N ATOM 172 CA GLU A 11 79.051 2.390 -11.794 1.00 0.00 C ATOM 173 C GLU A 11 77.690 2.991 -11.464 1.00 0.00 C ATOM 174 O GLU A 11 77.330 4.049 -11.973 1.00 0.00 O ATOM 175 CB GLU A 11 78.922 1.389 -12.941 1.00 0.00 C ATOM 176 CG GLU A 11 80.254 1.012 -13.569 1.00 0.00 C ATOM 177 CD GLU A 11 80.096 0.150 -14.801 1.00 0.00 C ATOM 178 OE1 GLU A 11 79.208 0.448 -15.631 1.00 0.00 O ATOM 179 OE2 GLU A 11 80.859 -0.826 -14.953 1.00 0.00 O ATOM 0 H GLU A 11 79.618 0.746 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 11 79.717 3.192 -12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.435 0.486 -12.572 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.273 1.810 -13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.796 1.920 -13.833 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.860 0.481 -12.835 1.00 0.00 H new ATOM 186 N ASP A 12 76.945 2.323 -10.594 1.00 0.00 N ATOM 187 CA ASP A 12 75.619 2.792 -10.201 1.00 0.00 C ATOM 188 C ASP A 12 75.717 4.083 -9.388 1.00 0.00 C ATOM 189 O ASP A 12 74.866 4.967 -9.501 1.00 0.00 O ATOM 190 CB ASP A 12 74.885 1.709 -9.405 1.00 0.00 C ATOM 191 CG ASP A 12 73.455 2.088 -9.078 1.00 0.00 C ATOM 192 OD1 ASP A 12 72.633 2.207 -10.012 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.138 2.254 -7.883 1.00 0.00 O ATOM 0 H ASP A 12 77.235 1.454 -10.145 1.00 0.00 H new ATOM 0 HA ASP A 12 75.049 3.005 -11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 12 74.888 0.780 -9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.426 1.516 -8.479 1.00 0.00 H new ATOM 198 N ILE A 13 76.766 4.202 -8.577 1.00 0.00 N ATOM 199 CA ILE A 13 77.006 5.433 -7.829 1.00 0.00 C ATOM 200 C ILE A 13 77.712 6.465 -8.706 1.00 0.00 C ATOM 201 O ILE A 13 77.732 7.653 -8.390 1.00 0.00 O ATOM 202 CB ILE A 13 77.830 5.197 -6.541 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.228 4.666 -6.870 1.00 0.00 C ATOM 204 CG2 ILE A 13 77.094 4.236 -5.616 1.00 0.00 C ATOM 205 CD1 ILE A 13 80.118 4.489 -5.658 1.00 0.00 C ATOM 0 H ILE A 13 77.457 3.468 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 13 76.028 5.810 -7.530 1.00 0.00 H new ATOM 0 HB ILE A 13 77.949 6.153 -6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.131 3.708 -7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 13 79.711 5.351 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.683 4.077 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.126 4.659 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.946 3.283 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 13 81.090 4.110 -5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.247 5.449 -5.158 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.658 3.780 -4.969 1.00 0.00 H new ATOM 217 N GLY A 14 78.292 5.997 -9.805 1.00 0.00 N ATOM 218 CA GLY A 14 78.900 6.892 -10.771 1.00 0.00 C ATOM 219 C GLY A 14 80.251 7.413 -10.328 1.00 0.00 C ATOM 220 O GLY A 14 80.508 8.616 -10.398 1.00 0.00 O ATOM 0 H GLY A 14 78.352 5.007 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.012 6.370 -11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 14 78.232 7.735 -10.947 1.00 0.00 H new ATOM 224 N GLU A 15 81.117 6.517 -9.879 1.00 0.00 N ATOM 225 CA GLU A 15 82.449 6.908 -9.439 1.00 0.00 C ATOM 226 C GLU A 15 83.513 6.206 -10.275 1.00 0.00 C ATOM 227 O GLU A 15 83.251 5.171 -10.894 1.00 0.00 O ATOM 228 CB GLU A 15 82.640 6.586 -7.953 1.00 0.00 C ATOM 229 CG GLU A 15 83.092 7.780 -7.119 1.00 0.00 C ATOM 230 CD GLU A 15 84.509 8.230 -7.427 1.00 0.00 C ATOM 231 OE1 GLU A 15 84.742 8.825 -8.502 1.00 0.00 O ATOM 232 OE2 GLU A 15 85.406 7.995 -6.591 1.00 0.00 O ATOM 0 H GLU A 15 80.923 5.518 -9.810 1.00 0.00 H new ATOM 0 HA GLU A 15 82.554 7.984 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 15 81.701 6.207 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 15 83.375 5.787 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 15 82.409 8.612 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 15 83.022 7.523 -6.062 1.00 0.00 H new ATOM 239 N ASP A 16 84.706 6.777 -10.292 1.00 0.00 N ATOM 240 CA ASP A 16 85.815 6.235 -11.068 1.00 0.00 C ATOM 241 C ASP A 16 86.706 5.358 -10.199 1.00 0.00 C ATOM 242 O ASP A 16 87.259 5.814 -9.193 1.00 0.00 O ATOM 243 CB ASP A 16 86.631 7.372 -11.685 1.00 0.00 C ATOM 244 CG ASP A 16 87.903 6.891 -12.356 1.00 0.00 C ATOM 245 OD1 ASP A 16 87.835 5.963 -13.186 1.00 0.00 O ATOM 246 OD2 ASP A 16 88.978 7.464 -12.076 1.00 0.00 O ATOM 0 H ASP A 16 84.935 7.624 -9.772 1.00 0.00 H new ATOM 0 HA ASP A 16 85.405 5.618 -11.868 1.00 0.00 H new ATOM 0 HB2 ASP A 16 86.017 7.897 -12.417 1.00 0.00 H new ATOM 0 HB3 ASP A 16 86.887 8.092 -10.908 1.00 0.00 H new ATOM 251 N TYR A 17 86.830 4.099 -10.586 1.00 0.00 N ATOM 252 CA TYR A 17 87.658 3.152 -9.860 1.00 0.00 C ATOM 253 C TYR A 17 88.806 2.682 -10.738 1.00 0.00 C ATOM 254 O TYR A 17 88.656 2.552 -11.954 1.00 0.00 O ATOM 255 CB TYR A 17 86.827 1.956 -9.380 1.00 0.00 C ATOM 256 CG TYR A 17 86.223 1.108 -10.485 1.00 0.00 C ATOM 257 CD1 TYR A 17 85.042 1.483 -11.116 1.00 0.00 C ATOM 258 CD2 TYR A 17 86.827 -0.080 -10.880 1.00 0.00 C ATOM 259 CE1 TYR A 17 84.481 0.699 -12.108 1.00 0.00 C ATOM 260 CE2 TYR A 17 86.275 -0.866 -11.874 1.00 0.00 C ATOM 261 CZ TYR A 17 85.102 -0.474 -12.484 1.00 0.00 C ATOM 262 OH TYR A 17 84.547 -1.262 -13.466 1.00 0.00 O ATOM 0 H TYR A 17 86.364 3.708 -11.405 1.00 0.00 H new ATOM 0 HA TYR A 17 88.067 3.654 -8.983 1.00 0.00 H new ATOM 0 HB2 TYR A 17 87.458 1.320 -8.759 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.022 2.324 -8.744 1.00 0.00 H new ATOM 0 HD1 TYR A 17 84.554 2.402 -10.827 1.00 0.00 H new ATOM 0 HD2 TYR A 17 87.743 -0.394 -10.402 1.00 0.00 H new ATOM 0 HE1 TYR A 17 83.562 1.004 -12.586 1.00 0.00 H new ATOM 0 HE2 TYR A 17 86.760 -1.784 -12.172 1.00 0.00 H new ATOM 0 HH TYR A 17 85.111 -2.050 -13.610 1.00 0.00 H new ATOM 272 N ILE A 18 89.950 2.429 -10.129 1.00 0.00 N ATOM 273 CA ILE A 18 91.129 2.032 -10.877 1.00 0.00 C ATOM 274 C ILE A 18 91.280 0.517 -10.887 1.00 0.00 C ATOM 275 O ILE A 18 91.770 -0.075 -9.921 1.00 0.00 O ATOM 276 CB ILE A 18 92.408 2.665 -10.290 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.233 4.180 -10.151 1.00 0.00 C ATOM 278 CG2 ILE A 18 93.612 2.345 -11.170 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.388 4.859 -9.451 1.00 0.00 C ATOM 0 H ILE A 18 90.088 2.491 -9.120 1.00 0.00 H new ATOM 0 HA ILE A 18 90.996 2.390 -11.898 1.00 0.00 H new ATOM 0 HB ILE A 18 92.584 2.243 -9.300 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.112 4.616 -11.143 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.315 4.383 -9.600 1.00 0.00 H new ATOM 0 HG21 ILE A 18 94.506 2.799 -10.742 1.00 0.00 H new ATOM 0 HG22 ILE A 18 93.745 1.265 -11.226 1.00 0.00 H new ATOM 0 HG23 ILE A 18 93.447 2.743 -12.171 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.196 5.930 -9.388 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.496 4.450 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.306 4.687 -10.013 1.00 0.00 H new ATOM 291 N GLU A 19 90.832 -0.109 -11.964 1.00 0.00 N ATOM 292 CA GLU A 19 91.000 -1.543 -12.118 1.00 0.00 C ATOM 293 C GLU A 19 92.308 -1.844 -12.834 1.00 0.00 C ATOM 294 O GLU A 19 92.575 -1.321 -13.917 1.00 0.00 O ATOM 295 CB GLU A 19 89.835 -2.177 -12.886 1.00 0.00 C ATOM 296 CG GLU A 19 90.041 -3.667 -13.136 1.00 0.00 C ATOM 297 CD GLU A 19 88.916 -4.320 -13.913 1.00 0.00 C ATOM 298 OE1 GLU A 19 88.457 -3.738 -14.917 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.500 -5.434 -13.529 1.00 0.00 O ATOM 0 H GLU A 19 90.353 0.350 -12.738 1.00 0.00 H new ATOM 0 HA GLU A 19 91.018 -1.977 -11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 19 88.912 -2.030 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 19 89.712 -1.665 -13.841 1.00 0.00 H new ATOM 0 HG2 GLU A 19 90.975 -3.809 -13.680 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.150 -4.175 -12.178 1.00 0.00 H new ATOM 306 N LEU A 20 93.120 -2.670 -12.208 1.00 0.00 N ATOM 307 CA LEU A 20 94.350 -3.152 -12.804 1.00 0.00 C ATOM 308 C LEU A 20 94.289 -4.672 -12.885 1.00 0.00 C ATOM 309 O LEU A 20 93.207 -5.253 -12.794 1.00 0.00 O ATOM 310 CB LEU A 20 95.562 -2.707 -11.978 1.00 0.00 C ATOM 311 CG LEU A 20 95.730 -1.194 -11.820 1.00 0.00 C ATOM 312 CD1 LEU A 20 96.920 -0.881 -10.927 1.00 0.00 C ATOM 313 CD2 LEU A 20 95.900 -0.529 -13.177 1.00 0.00 C ATOM 0 H LEU A 20 92.946 -3.028 -11.269 1.00 0.00 H new ATOM 0 HA LEU A 20 94.459 -2.734 -13.805 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.487 -3.153 -10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.463 -3.109 -12.441 1.00 0.00 H new ATOM 0 HG LEU A 20 94.829 -0.798 -11.351 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.025 0.199 -10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 20 96.763 -1.324 -9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 20 97.826 -1.293 -11.371 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.018 0.546 -13.043 1.00 0.00 H new ATOM 0 HD22 LEU A 20 96.784 -0.932 -13.672 1.00 0.00 H new ATOM 0 HD23 LEU A 20 95.020 -0.724 -13.790 1.00 0.00 H new ATOM 325 N GLU A 21 95.430 -5.313 -13.045 1.00 0.00 N ATOM 326 CA GLU A 21 95.468 -6.763 -13.141 1.00 0.00 C ATOM 327 C GLU A 21 95.348 -7.392 -11.754 1.00 0.00 C ATOM 328 O GLU A 21 96.307 -7.405 -10.983 1.00 0.00 O ATOM 329 CB GLU A 21 96.751 -7.209 -13.838 1.00 0.00 C ATOM 330 CG GLU A 21 96.868 -6.684 -15.260 1.00 0.00 C ATOM 331 CD GLU A 21 98.142 -7.123 -15.944 1.00 0.00 C ATOM 332 OE1 GLU A 21 98.258 -8.320 -16.277 1.00 0.00 O ATOM 333 OE2 GLU A 21 99.036 -6.276 -16.150 1.00 0.00 O ATOM 0 H GLU A 21 96.340 -4.857 -13.111 1.00 0.00 H new ATOM 0 HA GLU A 21 94.620 -7.101 -13.737 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.610 -6.869 -13.259 1.00 0.00 H new ATOM 0 HB3 GLU A 21 96.789 -8.298 -13.854 1.00 0.00 H new ATOM 0 HG2 GLU A 21 96.012 -7.028 -15.841 1.00 0.00 H new ATOM 0 HG3 GLU A 21 96.826 -5.595 -15.245 1.00 0.00 H new ATOM 340 N ASN A 22 94.136 -7.865 -11.441 1.00 0.00 N ATOM 341 CA ASN A 22 93.819 -8.486 -10.144 1.00 0.00 C ATOM 342 C ASN A 22 93.829 -7.464 -9.011 1.00 0.00 C ATOM 343 O ASN A 22 93.739 -7.820 -7.834 1.00 0.00 O ATOM 344 CB ASN A 22 94.769 -9.649 -9.818 1.00 0.00 C ATOM 345 CG ASN A 22 94.546 -10.852 -10.714 1.00 0.00 C ATOM 346 OD1 ASN A 22 93.677 -11.681 -10.449 1.00 0.00 O ATOM 347 ND2 ASN A 22 95.342 -10.973 -11.764 1.00 0.00 N ATOM 0 H ASN A 22 93.343 -7.829 -12.081 1.00 0.00 H new ATOM 0 HA ASN A 22 92.810 -8.888 -10.233 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.800 -9.311 -9.920 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.632 -9.945 -8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 22 95.246 -11.775 -12.387 1.00 0.00 H new ATOM 0 HD22 ASN A 22 96.051 -10.264 -11.951 1.00 0.00 H new ATOM 354 N GLU A 23 93.905 -6.193 -9.374 1.00 0.00 N ATOM 355 CA GLU A 23 93.921 -5.115 -8.398 1.00 0.00 C ATOM 356 C GLU A 23 92.794 -4.136 -8.662 1.00 0.00 C ATOM 357 O GLU A 23 92.584 -3.713 -9.796 1.00 0.00 O ATOM 358 CB GLU A 23 95.238 -4.346 -8.451 1.00 0.00 C ATOM 359 CG GLU A 23 96.447 -5.106 -7.950 1.00 0.00 C ATOM 360 CD GLU A 23 97.709 -4.281 -8.075 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.835 -3.265 -7.355 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.569 -4.629 -8.907 1.00 0.00 O ATOM 0 H GLU A 23 93.957 -5.882 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 23 93.800 -5.571 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.421 -4.041 -9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.132 -3.434 -7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 23 96.296 -5.387 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.558 -6.031 -8.516 1.00 0.00 H new ATOM 369 N ILE A 24 92.076 -3.776 -7.619 1.00 0.00 N ATOM 370 CA ILE A 24 91.106 -2.699 -7.703 1.00 0.00 C ATOM 371 C ILE A 24 91.474 -1.619 -6.699 1.00 0.00 C ATOM 372 O ILE A 24 91.417 -1.840 -5.497 1.00 0.00 O ATOM 373 CB ILE A 24 89.664 -3.188 -7.435 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.262 -4.254 -8.459 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.688 -2.016 -7.474 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.875 -4.820 -8.240 1.00 0.00 C ATOM 0 H ILE A 24 92.144 -4.213 -6.700 1.00 0.00 H new ATOM 0 HA ILE A 24 91.132 -2.303 -8.718 1.00 0.00 H new ATOM 0 HB ILE A 24 89.629 -3.633 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.314 -3.822 -9.458 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.986 -5.068 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.678 -2.378 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.963 -1.288 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.725 -1.544 -8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.662 -5.568 -9.004 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.822 -5.283 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.140 -4.017 -8.304 1.00 0.00 H new ATOM 388 N HIS A 25 91.891 -0.467 -7.187 1.00 0.00 N ATOM 389 CA HIS A 25 92.292 0.620 -6.306 1.00 0.00 C ATOM 390 C HIS A 25 91.174 1.646 -6.198 1.00 0.00 C ATOM 391 O HIS A 25 90.660 2.127 -7.211 1.00 0.00 O ATOM 392 CB HIS A 25 93.588 1.274 -6.800 1.00 0.00 C ATOM 393 CG HIS A 25 94.806 0.412 -6.628 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.703 0.573 -5.593 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.279 -0.624 -7.368 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.672 -0.318 -5.704 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.437 -1.058 -6.770 1.00 0.00 N ATOM 0 H HIS A 25 91.962 -0.257 -8.183 1.00 0.00 H new ATOM 0 HA HIS A 25 92.483 0.210 -5.314 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.478 1.525 -7.855 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.739 2.211 -6.264 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.828 -1.031 -8.261 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.514 -0.423 -5.035 1.00 0.00 H new ATOM 0 HE2 HIS A 25 97.021 -1.828 -7.097 1.00 0.00 H new ATOM 406 N LEU A 26 90.793 1.963 -4.969 1.00 0.00 N ATOM 407 CA LEU A 26 89.687 2.881 -4.725 1.00 0.00 C ATOM 408 C LEU A 26 90.150 4.122 -3.977 1.00 0.00 C ATOM 409 O LEU A 26 91.321 4.247 -3.610 1.00 0.00 O ATOM 410 CB LEU A 26 88.576 2.192 -3.923 1.00 0.00 C ATOM 411 CG LEU A 26 87.818 1.084 -4.657 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.733 0.503 -3.763 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.216 1.615 -5.946 1.00 0.00 C ATOM 0 H LEU A 26 91.233 1.598 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 26 89.298 3.183 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 26 89.014 1.770 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.859 2.949 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 26 88.522 0.291 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.203 -0.284 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.187 0.087 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.031 1.289 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.681 0.813 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.524 2.426 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.011 1.988 -6.592 1.00 0.00 H new ATOM 425 N LYS A 27 89.219 5.039 -3.766 1.00 0.00 N ATOM 426 CA LYS A 27 89.480 6.232 -2.980 1.00 0.00 C ATOM 427 C LYS A 27 89.094 5.968 -1.528 1.00 0.00 C ATOM 428 O LYS A 27 88.244 5.117 -1.264 1.00 0.00 O ATOM 429 CB LYS A 27 88.691 7.423 -3.531 1.00 0.00 C ATOM 430 CG LYS A 27 88.986 7.735 -4.988 1.00 0.00 C ATOM 431 CD LYS A 27 88.327 9.036 -5.412 1.00 0.00 C ATOM 432 CE LYS A 27 88.495 9.295 -6.900 1.00 0.00 C ATOM 433 NZ LYS A 27 87.769 8.293 -7.728 1.00 0.00 N ATOM 0 H LYS A 27 88.269 4.978 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 27 90.541 6.475 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.625 7.223 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.913 8.304 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 27 90.063 7.804 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.628 6.920 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.266 9.003 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 27 88.759 9.863 -4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 27 88.129 10.294 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.555 9.275 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 87.412 8.750 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 88.417 7.522 -7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.971 7.907 -7.185 1.00 0.00 H new ATOM 447 N PRO A 28 89.700 6.694 -0.573 1.00 0.00 N ATOM 448 CA PRO A 28 89.492 6.454 0.861 1.00 0.00 C ATOM 449 C PRO A 28 88.017 6.452 1.260 1.00 0.00 C ATOM 450 O PRO A 28 87.555 5.537 1.944 1.00 0.00 O ATOM 451 CB PRO A 28 90.224 7.620 1.529 1.00 0.00 C ATOM 452 CG PRO A 28 91.247 8.048 0.536 1.00 0.00 C ATOM 453 CD PRO A 28 90.634 7.811 -0.814 1.00 0.00 C ATOM 0 HA PRO A 28 89.859 5.471 1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.538 8.434 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.688 7.311 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 28 91.505 9.099 0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.168 7.477 0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.115 8.697 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.387 7.552 -1.558 1.00 0.00 H new ATOM 461 N GLU A 29 87.278 7.468 0.820 1.00 0.00 N ATOM 462 CA GLU A 29 85.867 7.600 1.174 1.00 0.00 C ATOM 463 C GLU A 29 85.056 6.441 0.605 1.00 0.00 C ATOM 464 O GLU A 29 84.262 5.820 1.311 1.00 0.00 O ATOM 465 CB GLU A 29 85.305 8.920 0.650 1.00 0.00 C ATOM 466 CG GLU A 29 86.041 10.148 1.153 1.00 0.00 C ATOM 467 CD GLU A 29 85.514 11.421 0.531 1.00 0.00 C ATOM 468 OE1 GLU A 29 85.782 11.653 -0.667 1.00 0.00 O ATOM 469 OE2 GLU A 29 84.816 12.190 1.227 1.00 0.00 O ATOM 0 H GLU A 29 87.633 8.211 0.218 1.00 0.00 H new ATOM 0 HA GLU A 29 85.792 7.584 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 29 85.338 8.910 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 29 84.256 8.995 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 29 85.946 10.208 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 29 87.104 10.049 0.931 1.00 0.00 H new ATOM 476 N VAL A 30 85.279 6.156 -0.673 1.00 0.00 N ATOM 477 CA VAL A 30 84.564 5.092 -1.363 1.00 0.00 C ATOM 478 C VAL A 30 84.863 3.737 -0.726 1.00 0.00 C ATOM 479 O VAL A 30 83.953 2.950 -0.466 1.00 0.00 O ATOM 480 CB VAL A 30 84.940 5.047 -2.861 1.00 0.00 C ATOM 481 CG1 VAL A 30 84.112 4.006 -3.598 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.770 6.419 -3.498 1.00 0.00 C ATOM 0 H VAL A 30 85.955 6.652 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 30 83.499 5.305 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 30 85.989 4.760 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 30 84.396 3.994 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 30 84.292 3.023 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 30 83.054 4.254 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 30 85.040 6.366 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.732 6.737 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.417 7.137 -2.994 1.00 0.00 H new ATOM 492 N PHE A 31 86.140 3.486 -0.460 1.00 0.00 N ATOM 493 CA PHE A 31 86.579 2.231 0.146 1.00 0.00 C ATOM 494 C PHE A 31 85.876 1.997 1.479 1.00 0.00 C ATOM 495 O PHE A 31 85.392 0.900 1.752 1.00 0.00 O ATOM 496 CB PHE A 31 88.098 2.259 0.345 1.00 0.00 C ATOM 497 CG PHE A 31 88.678 0.988 0.902 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.941 -0.091 0.073 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.979 0.879 2.250 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.491 -1.252 0.578 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.526 -0.282 2.761 1.00 0.00 C ATOM 502 CZ PHE A 31 89.784 -1.348 1.924 1.00 0.00 C ATOM 0 H PHE A 31 86.897 4.141 -0.656 1.00 0.00 H new ATOM 0 HA PHE A 31 86.318 1.410 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.573 2.471 -0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.349 3.082 1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.713 -0.023 -0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.784 1.712 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.692 -2.085 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.751 -0.355 3.815 1.00 0.00 H new ATOM 0 HZ PHE A 31 90.214 -2.256 2.321 1.00 0.00 H new ATOM 512 N TYR A 32 85.805 3.047 2.291 1.00 0.00 N ATOM 513 CA TYR A 32 85.161 2.976 3.599 1.00 0.00 C ATOM 514 C TYR A 32 83.691 2.573 3.474 1.00 0.00 C ATOM 515 O TYR A 32 83.195 1.749 4.245 1.00 0.00 O ATOM 516 CB TYR A 32 85.283 4.331 4.310 1.00 0.00 C ATOM 517 CG TYR A 32 84.554 4.411 5.635 1.00 0.00 C ATOM 518 CD1 TYR A 32 85.083 3.828 6.779 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.336 5.074 5.741 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.420 3.903 7.991 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.669 5.153 6.949 1.00 0.00 C ATOM 522 CZ TYR A 32 83.215 4.567 8.069 1.00 0.00 C ATOM 523 OH TYR A 32 82.552 4.645 9.273 1.00 0.00 O ATOM 0 H TYR A 32 86.189 3.964 2.064 1.00 0.00 H new ATOM 0 HA TYR A 32 85.666 2.211 4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.338 4.546 4.476 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.899 5.109 3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 32 86.028 3.307 6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.904 5.535 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.845 3.444 8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.724 5.672 7.014 1.00 0.00 H new ATOM 0 HH TYR A 32 81.719 5.148 9.156 1.00 0.00 H new ATOM 533 N GLU A 33 83.005 3.143 2.493 1.00 0.00 N ATOM 534 CA GLU A 33 81.584 2.887 2.313 1.00 0.00 C ATOM 535 C GLU A 33 81.352 1.508 1.696 1.00 0.00 C ATOM 536 O GLU A 33 80.489 0.755 2.150 1.00 0.00 O ATOM 537 CB GLU A 33 80.948 3.978 1.451 1.00 0.00 C ATOM 538 CG GLU A 33 79.429 3.924 1.427 1.00 0.00 C ATOM 539 CD GLU A 33 78.810 5.148 0.785 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.984 6.258 1.328 1.00 0.00 O ATOM 541 OE2 GLU A 33 78.126 5.001 -0.252 1.00 0.00 O ATOM 0 H GLU A 33 83.409 3.785 1.811 1.00 0.00 H new ATOM 0 HA GLU A 33 81.109 2.902 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.263 4.953 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 33 81.323 3.889 0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 33 79.110 3.034 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 33 79.057 3.826 2.447 1.00 0.00 H new ATOM 548 N VAL A 34 82.138 1.171 0.675 1.00 0.00 N ATOM 549 CA VAL A 34 82.031 -0.133 0.022 1.00 0.00 C ATOM 550 C VAL A 34 82.338 -1.254 1.010 1.00 0.00 C ATOM 551 O VAL A 34 81.709 -2.314 0.976 1.00 0.00 O ATOM 552 CB VAL A 34 82.976 -0.246 -1.200 1.00 0.00 C ATOM 553 CG1 VAL A 34 82.918 -1.641 -1.809 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.623 0.797 -2.247 1.00 0.00 C ATOM 0 H VAL A 34 82.855 1.781 0.282 1.00 0.00 H new ATOM 0 HA VAL A 34 81.005 -0.230 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 34 83.993 -0.065 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.591 -1.693 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.222 -2.376 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 34 81.900 -1.854 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.298 0.702 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.596 0.645 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.721 1.793 -1.816 1.00 0.00 H new ATOM 564 N TRP A 35 83.291 -1.000 1.902 1.00 0.00 N ATOM 565 CA TRP A 35 83.660 -1.954 2.939 1.00 0.00 C ATOM 566 C TRP A 35 82.433 -2.386 3.741 1.00 0.00 C ATOM 567 O TRP A 35 82.144 -3.577 3.853 1.00 0.00 O ATOM 568 CB TRP A 35 84.717 -1.338 3.863 1.00 0.00 C ATOM 569 CG TRP A 35 85.129 -2.226 4.999 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.558 -3.518 4.919 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.167 -1.874 6.385 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.843 -3.998 6.173 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.617 -3.006 7.092 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.861 -0.710 7.099 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.774 -3.006 8.476 1.00 0.00 C ATOM 576 CZ3 TRP A 35 85.015 -0.712 8.473 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.467 -1.853 9.149 1.00 0.00 C ATOM 0 H TRP A 35 83.826 -0.132 1.925 1.00 0.00 H new ATOM 0 HA TRP A 35 84.080 -2.840 2.463 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.599 -1.088 3.273 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.329 -0.403 4.269 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.659 -4.081 4.003 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.170 -4.940 6.387 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.511 0.174 6.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 86.125 -3.883 8.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.783 0.181 9.035 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.576 -1.823 10.223 1.00 0.00 H new ATOM 588 N LYS A 36 81.699 -1.417 4.271 1.00 0.00 N ATOM 589 CA LYS A 36 80.505 -1.715 5.054 1.00 0.00 C ATOM 590 C LYS A 36 79.376 -2.225 4.160 1.00 0.00 C ATOM 591 O LYS A 36 78.547 -3.027 4.591 1.00 0.00 O ATOM 592 CB LYS A 36 80.053 -0.482 5.841 1.00 0.00 C ATOM 593 CG LYS A 36 80.994 -0.114 6.979 1.00 0.00 C ATOM 594 CD LYS A 36 80.473 1.067 7.780 1.00 0.00 C ATOM 595 CE LYS A 36 81.299 1.303 9.037 1.00 0.00 C ATOM 596 NZ LYS A 36 81.210 0.162 9.988 1.00 0.00 N ATOM 0 H LYS A 36 81.907 -0.423 4.175 1.00 0.00 H new ATOM 0 HA LYS A 36 80.757 -2.503 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.970 0.365 5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 36 79.058 -0.664 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 36 81.121 -0.973 7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.977 0.126 6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 36 80.490 1.963 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 36 79.433 0.890 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 36 82.341 1.463 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.956 2.213 9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 81.453 0.488 10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 80.241 -0.216 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 81.873 -0.585 9.698 1.00 0.00 H new ATOM 610 N TYR A 37 79.364 -1.770 2.911 1.00 0.00 N ATOM 611 CA TYR A 37 78.351 -2.183 1.944 1.00 0.00 C ATOM 612 C TYR A 37 78.392 -3.692 1.701 1.00 0.00 C ATOM 613 O TYR A 37 77.351 -4.342 1.625 1.00 0.00 O ATOM 614 CB TYR A 37 78.552 -1.434 0.620 1.00 0.00 C ATOM 615 CG TYR A 37 77.631 -1.886 -0.496 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.311 -1.457 -0.552 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.085 -2.743 -1.493 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.470 -1.869 -1.568 1.00 0.00 C ATOM 619 CE2 TYR A 37 77.250 -3.158 -2.513 1.00 0.00 C ATOM 620 CZ TYR A 37 75.943 -2.719 -2.546 1.00 0.00 C ATOM 621 OH TYR A 37 75.110 -3.127 -3.563 1.00 0.00 O ATOM 0 H TYR A 37 80.049 -1.111 2.542 1.00 0.00 H new ATOM 0 HA TYR A 37 77.373 -1.935 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.400 -0.368 0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.585 -1.561 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.936 -0.791 0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.107 -3.090 -1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.446 -1.527 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 37 77.619 -3.823 -3.280 1.00 0.00 H new ATOM 0 HH TYR A 37 75.600 -3.722 -4.168 1.00 0.00 H new ATOM 631 N VAL A 38 79.593 -4.246 1.586 1.00 0.00 N ATOM 632 CA VAL A 38 79.742 -5.664 1.273 1.00 0.00 C ATOM 633 C VAL A 38 79.701 -6.539 2.527 1.00 0.00 C ATOM 634 O VAL A 38 79.798 -7.764 2.435 1.00 0.00 O ATOM 635 CB VAL A 38 81.040 -5.944 0.484 1.00 0.00 C ATOM 636 CG1 VAL A 38 80.987 -5.279 -0.884 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.263 -5.473 1.256 1.00 0.00 C ATOM 0 H VAL A 38 80.472 -3.741 1.703 1.00 0.00 H new ATOM 0 HA VAL A 38 78.890 -5.925 0.646 1.00 0.00 H new ATOM 0 HB VAL A 38 81.123 -7.022 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.910 -5.487 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.140 -5.671 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 38 80.874 -4.202 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.162 -5.683 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.189 -4.400 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.315 -5.998 2.210 1.00 0.00 H new ATOM 647 N GLY A 39 79.549 -5.917 3.692 1.00 0.00 N ATOM 648 CA GLY A 39 79.394 -6.681 4.921 1.00 0.00 C ATOM 649 C GLY A 39 80.599 -6.600 5.837 1.00 0.00 C ATOM 650 O GLY A 39 80.687 -7.344 6.815 1.00 0.00 O ATOM 0 H GLY A 39 79.530 -4.904 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.516 -6.320 5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.208 -7.725 4.670 1.00 0.00 H new ATOM 654 N GLU A 40 81.517 -5.690 5.526 1.00 0.00 N ATOM 655 CA GLU A 40 82.729 -5.479 6.319 1.00 0.00 C ATOM 656 C GLU A 40 83.564 -6.755 6.437 1.00 0.00 C ATOM 657 O GLU A 40 83.618 -7.382 7.499 1.00 0.00 O ATOM 658 CB GLU A 40 82.387 -4.941 7.713 1.00 0.00 C ATOM 659 CG GLU A 40 81.652 -3.614 7.684 1.00 0.00 C ATOM 660 CD GLU A 40 81.378 -3.063 9.067 1.00 0.00 C ATOM 661 OE1 GLU A 40 80.369 -3.462 9.683 1.00 0.00 O ATOM 662 OE2 GLU A 40 82.158 -2.209 9.534 1.00 0.00 O ATOM 0 H GLU A 40 81.444 -5.075 4.715 1.00 0.00 H new ATOM 0 HA GLU A 40 83.327 -4.736 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 40 81.775 -5.675 8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 40 83.307 -4.826 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 40 82.241 -2.890 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 40 80.708 -3.739 7.154 1.00 0.00 H new ATOM 669 N PRO A 41 84.222 -7.166 5.342 1.00 0.00 N ATOM 670 CA PRO A 41 85.106 -8.328 5.341 1.00 0.00 C ATOM 671 C PRO A 41 86.428 -8.024 6.036 1.00 0.00 C ATOM 672 O PRO A 41 86.695 -6.874 6.406 1.00 0.00 O ATOM 673 CB PRO A 41 85.343 -8.618 3.850 1.00 0.00 C ATOM 674 CG PRO A 41 84.430 -7.702 3.104 1.00 0.00 C ATOM 675 CD PRO A 41 84.159 -6.543 4.018 1.00 0.00 C ATOM 0 HA PRO A 41 84.671 -9.171 5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.383 -8.439 3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 41 85.127 -9.660 3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 41 84.890 -7.365 2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 41 83.504 -8.210 2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.902 -5.754 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.185 -6.093 3.826 1.00 0.00 H new ATOM 683 N GLU A 42 87.248 -9.050 6.213 1.00 0.00 N ATOM 684 CA GLU A 42 88.546 -8.880 6.845 1.00 0.00 C ATOM 685 C GLU A 42 89.449 -7.996 5.998 1.00 0.00 C ATOM 686 O GLU A 42 89.693 -8.278 4.823 1.00 0.00 O ATOM 687 CB GLU A 42 89.220 -10.230 7.084 1.00 0.00 C ATOM 688 CG GLU A 42 90.635 -10.107 7.624 1.00 0.00 C ATOM 689 CD GLU A 42 91.274 -11.447 7.893 1.00 0.00 C ATOM 690 OE1 GLU A 42 91.467 -12.217 6.931 1.00 0.00 O ATOM 691 OE2 GLU A 42 91.569 -11.744 9.070 1.00 0.00 O ATOM 0 H GLU A 42 87.037 -10.006 5.928 1.00 0.00 H new ATOM 0 HA GLU A 42 88.382 -8.396 7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.620 -10.809 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.243 -10.788 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 42 91.245 -9.555 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 42 90.619 -9.525 8.546 1.00 0.00 H new ATOM 698 N LEU A 43 89.930 -6.923 6.598 1.00 0.00 N ATOM 699 CA LEU A 43 90.854 -6.031 5.929 1.00 0.00 C ATOM 700 C LEU A 43 92.286 -6.464 6.197 1.00 0.00 C ATOM 701 O LEU A 43 92.824 -6.232 7.282 1.00 0.00 O ATOM 702 CB LEU A 43 90.645 -4.592 6.398 1.00 0.00 C ATOM 703 CG LEU A 43 89.299 -3.972 6.024 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.205 -2.555 6.561 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.108 -3.984 4.513 1.00 0.00 C ATOM 0 H LEU A 43 89.694 -6.649 7.552 1.00 0.00 H new ATOM 0 HA LEU A 43 90.664 -6.077 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 43 90.752 -4.562 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.440 -3.973 5.982 1.00 0.00 H new ATOM 0 HG LEU A 43 88.505 -4.567 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.241 -2.125 6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.300 -2.570 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.006 -1.951 6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.145 -3.539 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.905 -3.410 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.137 -5.012 4.151 1.00 0.00 H new ATOM 717 N LYS A 44 92.889 -7.115 5.217 1.00 0.00 N ATOM 718 CA LYS A 44 94.279 -7.515 5.324 1.00 0.00 C ATOM 719 C LYS A 44 95.168 -6.340 4.950 1.00 0.00 C ATOM 720 O LYS A 44 94.826 -5.551 4.065 1.00 0.00 O ATOM 721 CB LYS A 44 94.581 -8.716 4.419 1.00 0.00 C ATOM 722 CG LYS A 44 93.915 -10.012 4.857 1.00 0.00 C ATOM 723 CD LYS A 44 94.360 -11.179 3.986 1.00 0.00 C ATOM 724 CE LYS A 44 93.823 -12.514 4.488 1.00 0.00 C ATOM 725 NZ LYS A 44 92.339 -12.587 4.426 1.00 0.00 N ATOM 0 H LYS A 44 92.438 -7.377 4.340 1.00 0.00 H new ATOM 0 HA LYS A 44 94.479 -7.815 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.260 -8.481 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.660 -8.869 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 44 94.162 -10.217 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.832 -9.905 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 44 94.021 -11.015 2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.449 -11.215 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 44 94.249 -13.321 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 44 94.149 -12.670 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 92.041 -13.583 4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 91.934 -12.132 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 92.003 -12.097 3.572 1.00 0.00 H new ATOM 739 N THR A 45 96.292 -6.207 5.625 1.00 0.00 N ATOM 740 CA THR A 45 97.171 -5.079 5.393 1.00 0.00 C ATOM 741 C THR A 45 98.557 -5.540 4.969 1.00 0.00 C ATOM 742 O THR A 45 99.093 -6.514 5.504 1.00 0.00 O ATOM 743 CB THR A 45 97.282 -4.187 6.644 1.00 0.00 C ATOM 744 OG1 THR A 45 97.615 -4.982 7.791 1.00 0.00 O ATOM 745 CG2 THR A 45 95.982 -3.441 6.901 1.00 0.00 C ATOM 0 H THR A 45 96.617 -6.863 6.335 1.00 0.00 H new ATOM 0 HA THR A 45 96.732 -4.493 4.585 1.00 0.00 H new ATOM 0 HB THR A 45 98.072 -3.457 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.378 -4.494 8.607 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.089 -2.819 7.790 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.749 -2.811 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.175 -4.158 7.055 1.00 0.00 H new ATOM 753 N TYR A 46 99.130 -4.847 4.004 1.00 0.00 N ATOM 754 CA TYR A 46 100.476 -5.142 3.561 1.00 0.00 C ATOM 755 C TYR A 46 101.305 -3.870 3.600 1.00 0.00 C ATOM 756 O TYR A 46 100.809 -2.782 3.295 1.00 0.00 O ATOM 757 CB TYR A 46 100.477 -5.755 2.151 1.00 0.00 C ATOM 758 CG TYR A 46 100.209 -4.775 1.028 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.936 -4.267 0.801 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.235 -4.368 0.185 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.693 -3.383 -0.232 1.00 0.00 C ATOM 762 CE2 TYR A 46 101.001 -3.483 -0.849 1.00 0.00 C ATOM 763 CZ TYR A 46 99.730 -2.993 -1.055 1.00 0.00 C ATOM 764 OH TYR A 46 99.495 -2.116 -2.086 1.00 0.00 O ATOM 0 H TYR A 46 98.682 -4.074 3.512 1.00 0.00 H new ATOM 0 HA TYR A 46 100.916 -5.879 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.443 -6.228 1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.725 -6.543 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.122 -4.569 1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.233 -4.750 0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.697 -2.999 -0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.811 -3.176 -1.494 1.00 0.00 H new ATOM 0 HH TYR A 46 100.331 -1.945 -2.567 1.00 0.00 H new ATOM 774 N VAL A 47 102.551 -3.996 4.005 1.00 0.00 N ATOM 775 CA VAL A 47 103.426 -2.847 4.083 1.00 0.00 C ATOM 776 C VAL A 47 104.319 -2.778 2.849 1.00 0.00 C ATOM 777 O VAL A 47 105.255 -3.563 2.683 1.00 0.00 O ATOM 778 CB VAL A 47 104.267 -2.844 5.387 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.042 -4.143 5.563 1.00 0.00 C ATOM 780 CG2 VAL A 47 105.206 -1.646 5.417 1.00 0.00 C ATOM 0 H VAL A 47 102.979 -4.879 4.284 1.00 0.00 H new ATOM 0 HA VAL A 47 102.801 -1.954 4.110 1.00 0.00 H new ATOM 0 HB VAL A 47 103.574 -2.763 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 47 105.618 -4.101 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 47 104.345 -4.980 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 47 105.719 -4.280 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 47 105.787 -1.662 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 47 105.881 -1.691 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 47 104.623 -0.726 5.371 1.00 0.00 H new ATOM 790 N ILE A 48 103.998 -1.854 1.961 1.00 0.00 N ATOM 791 CA ILE A 48 104.770 -1.678 0.752 1.00 0.00 C ATOM 792 C ILE A 48 105.823 -0.602 0.971 1.00 0.00 C ATOM 793 O ILE A 48 105.524 0.505 1.420 1.00 0.00 O ATOM 794 CB ILE A 48 103.873 -1.341 -0.465 1.00 0.00 C ATOM 795 CG1 ILE A 48 104.723 -1.143 -1.725 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.014 -0.113 -0.189 1.00 0.00 C ATOM 797 CD1 ILE A 48 103.908 -0.981 -2.991 1.00 0.00 C ATOM 0 H ILE A 48 103.208 -1.216 2.058 1.00 0.00 H new ATOM 0 HA ILE A 48 105.265 -2.622 0.523 1.00 0.00 H new ATOM 0 HB ILE A 48 103.203 -2.184 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 48 105.352 -0.263 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 48 105.390 -1.997 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.394 0.101 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.375 -0.302 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.657 0.742 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 48 104.578 -0.845 -3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 48 103.299 -1.871 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 48 103.260 -0.110 -2.897 1.00 0.00 H new ATOM 809 N GLU A 49 107.060 -0.955 0.704 1.00 0.00 N ATOM 810 CA GLU A 49 108.171 -0.060 0.934 1.00 0.00 C ATOM 811 C GLU A 49 108.472 0.742 -0.326 1.00 0.00 C ATOM 812 O GLU A 49 109.022 0.214 -1.297 1.00 0.00 O ATOM 813 CB GLU A 49 109.386 -0.872 1.378 1.00 0.00 C ATOM 814 CG GLU A 49 110.562 -0.042 1.848 1.00 0.00 C ATOM 815 CD GLU A 49 111.617 -0.900 2.510 1.00 0.00 C ATOM 816 OE1 GLU A 49 112.216 -1.749 1.819 1.00 0.00 O ATOM 817 OE2 GLU A 49 111.831 -0.752 3.729 1.00 0.00 O ATOM 0 H GLU A 49 107.323 -1.864 0.324 1.00 0.00 H new ATOM 0 HA GLU A 49 107.917 0.648 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.085 -1.540 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 49 109.710 -1.500 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 49 110.999 0.484 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 49 110.216 0.717 2.550 1.00 0.00 H new ATOM 1177 N LYS A 72 108.329 2.679 4.630 1.00 0.00 N ATOM 1178 CA LYS A 72 107.447 1.533 4.756 1.00 0.00 C ATOM 1179 C LYS A 72 106.009 2.006 4.919 1.00 0.00 C ATOM 1180 O LYS A 72 105.601 2.407 6.011 1.00 0.00 O ATOM 1181 CB LYS A 72 107.862 0.675 5.953 1.00 0.00 C ATOM 1182 CG LYS A 72 109.308 0.207 5.900 1.00 0.00 C ATOM 1183 CD LYS A 72 109.699 -0.535 7.167 1.00 0.00 C ATOM 1184 CE LYS A 72 111.157 -0.967 7.142 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.439 -1.921 6.038 1.00 0.00 N ATOM 0 HA LYS A 72 107.521 0.926 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.708 1.246 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 72 107.209 -0.196 6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.450 -0.444 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.965 1.066 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.525 0.105 8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 72 109.062 -1.412 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.793 -0.089 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.414 -1.430 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.165 -2.601 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 110.568 -2.432 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.782 -1.398 5.207 1.00 0.00 H new ATOM 1199 N ILE A 73 105.255 1.983 3.831 1.00 0.00 N ATOM 1200 CA ILE A 73 103.885 2.469 3.847 1.00 0.00 C ATOM 1201 C ILE A 73 102.895 1.311 3.911 1.00 0.00 C ATOM 1202 O ILE A 73 102.787 0.504 2.987 1.00 0.00 O ATOM 1203 CB ILE A 73 103.584 3.356 2.620 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.537 4.558 2.603 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.130 3.821 2.636 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.331 5.490 1.429 1.00 0.00 C ATOM 0 H ILE A 73 105.569 1.633 2.926 1.00 0.00 H new ATOM 0 HA ILE A 73 103.770 3.078 4.743 1.00 0.00 H new ATOM 0 HB ILE A 73 103.739 2.770 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.411 5.122 3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.564 4.194 2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.938 4.445 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.470 2.954 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.942 4.397 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 73 105.042 6.314 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.486 4.943 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.315 5.885 1.452 1.00 0.00 H new ATOM 1218 N LYS A 74 102.181 1.237 5.020 1.00 0.00 N ATOM 1219 CA LYS A 74 101.203 0.185 5.242 1.00 0.00 C ATOM 1220 C LYS A 74 99.898 0.519 4.525 1.00 0.00 C ATOM 1221 O LYS A 74 99.332 1.590 4.728 1.00 0.00 O ATOM 1222 CB LYS A 74 100.970 0.029 6.749 1.00 0.00 C ATOM 1223 CG LYS A 74 100.045 -1.114 7.136 1.00 0.00 C ATOM 1224 CD LYS A 74 99.974 -1.260 8.649 1.00 0.00 C ATOM 1225 CE LYS A 74 99.105 -2.433 9.066 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.160 -2.671 10.533 1.00 0.00 N ATOM 0 H LYS A 74 102.262 1.901 5.790 1.00 0.00 H new ATOM 0 HA LYS A 74 101.577 -0.756 4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 74 101.933 -0.120 7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.556 0.960 7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.047 -0.932 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.402 -2.043 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 74 100.979 -1.394 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.578 -0.342 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.074 -2.245 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 74 99.430 -3.331 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 98.553 -3.480 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 100.140 -2.876 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 98.825 -1.824 11.035 1.00 0.00 H new ATOM 1240 N LYS A 75 99.441 -0.386 3.669 1.00 0.00 N ATOM 1241 CA LYS A 75 98.182 -0.199 2.956 1.00 0.00 C ATOM 1242 C LYS A 75 97.211 -1.328 3.288 1.00 0.00 C ATOM 1243 O LYS A 75 97.618 -2.368 3.811 1.00 0.00 O ATOM 1244 CB LYS A 75 98.418 -0.120 1.442 1.00 0.00 C ATOM 1245 CG LYS A 75 99.149 1.143 1.001 1.00 0.00 C ATOM 1246 CD LYS A 75 99.225 1.239 -0.517 1.00 0.00 C ATOM 1247 CE LYS A 75 99.770 2.586 -0.975 1.00 0.00 C ATOM 1248 NZ LYS A 75 101.208 2.767 -0.642 1.00 0.00 N ATOM 0 H LYS A 75 99.923 -1.258 3.451 1.00 0.00 H new ATOM 0 HA LYS A 75 97.743 0.744 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.993 -0.991 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.457 -0.170 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.636 2.019 1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.156 1.147 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.861 0.441 -0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.232 1.086 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 75 99.636 2.680 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 75 99.191 3.384 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 101.480 3.758 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 101.367 2.523 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 101.785 2.147 -1.246 1.00 0.00 H new ATOM 1262 N VAL A 76 95.936 -1.122 2.985 1.00 0.00 N ATOM 1263 CA VAL A 76 94.896 -2.074 3.352 1.00 0.00 C ATOM 1264 C VAL A 76 94.127 -2.546 2.116 1.00 0.00 C ATOM 1265 O VAL A 76 93.989 -1.803 1.143 1.00 0.00 O ATOM 1266 CB VAL A 76 93.919 -1.449 4.382 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.216 -0.228 3.807 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.907 -2.470 4.870 1.00 0.00 C ATOM 0 H VAL A 76 95.596 -0.301 2.484 1.00 0.00 H new ATOM 0 HA VAL A 76 95.379 -2.938 3.809 1.00 0.00 H new ATOM 0 HB VAL A 76 94.511 -1.125 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.538 0.187 4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.957 0.523 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.648 -0.518 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.236 -2.002 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.329 -2.842 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.429 -3.300 5.346 1.00 0.00 H new ATOM 1278 N TYR A 77 93.653 -3.787 2.147 1.00 0.00 N ATOM 1279 CA TYR A 77 92.886 -4.337 1.038 1.00 0.00 C ATOM 1280 C TYR A 77 91.928 -5.425 1.517 1.00 0.00 C ATOM 1281 O TYR A 77 92.170 -6.072 2.538 1.00 0.00 O ATOM 1282 CB TYR A 77 93.830 -4.907 -0.034 1.00 0.00 C ATOM 1283 CG TYR A 77 94.689 -6.066 0.434 1.00 0.00 C ATOM 1284 CD1 TYR A 77 95.933 -5.848 1.012 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.256 -7.379 0.290 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.719 -6.903 1.434 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.037 -8.438 0.709 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.266 -8.195 1.280 1.00 0.00 C ATOM 1289 OH TYR A 77 97.046 -9.247 1.700 1.00 0.00 O ATOM 0 H TYR A 77 93.787 -4.430 2.928 1.00 0.00 H new ATOM 0 HA TYR A 77 92.298 -3.528 0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.235 -5.234 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.482 -4.108 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.292 -4.837 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.292 -7.574 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.684 -6.716 1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 77 94.685 -9.452 0.589 1.00 0.00 H new ATOM 0 HH TYR A 77 96.581 -10.091 1.521 1.00 0.00 H new ATOM 1299 N PHE A 78 90.837 -5.615 0.788 1.00 0.00 N ATOM 1300 CA PHE A 78 89.941 -6.731 1.051 1.00 0.00 C ATOM 1301 C PHE A 78 89.807 -7.585 -0.204 1.00 0.00 C ATOM 1302 O PHE A 78 90.039 -7.108 -1.318 1.00 0.00 O ATOM 1303 CB PHE A 78 88.566 -6.264 1.560 1.00 0.00 C ATOM 1304 CG PHE A 78 87.722 -5.524 0.558 1.00 0.00 C ATOM 1305 CD1 PHE A 78 86.851 -6.209 -0.277 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.779 -4.144 0.466 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.059 -5.531 -1.182 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.990 -3.460 -0.439 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.129 -4.155 -1.264 1.00 0.00 C ATOM 0 H PHE A 78 90.553 -5.014 0.014 1.00 0.00 H new ATOM 0 HA PHE A 78 90.374 -7.335 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.010 -7.136 1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.718 -5.621 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.792 -7.286 -0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 78 88.449 -3.594 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 78 85.385 -6.077 -1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 78 87.047 -2.383 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.511 -3.623 -1.972 1.00 0.00 H new ATOM 1319 N GLU A 79 89.438 -8.841 -0.021 1.00 0.00 N ATOM 1320 CA GLU A 79 89.449 -9.807 -1.109 1.00 0.00 C ATOM 1321 C GLU A 79 88.044 -10.084 -1.628 1.00 0.00 C ATOM 1322 O GLU A 79 87.067 -10.001 -0.880 1.00 0.00 O ATOM 1323 CB GLU A 79 90.082 -11.107 -0.619 1.00 0.00 C ATOM 1324 CG GLU A 79 91.443 -10.907 0.026 1.00 0.00 C ATOM 1325 CD GLU A 79 91.983 -12.171 0.648 1.00 0.00 C ATOM 1326 OE1 GLU A 79 92.594 -12.979 -0.081 1.00 0.00 O ATOM 1327 OE2 GLU A 79 91.804 -12.359 1.868 1.00 0.00 O ATOM 0 H GLU A 79 89.126 -9.218 0.874 1.00 0.00 H new ATOM 0 HA GLU A 79 90.031 -9.390 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.413 -11.580 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.183 -11.793 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.147 -10.547 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.368 -10.134 0.791 1.00 0.00 H new ATOM 1334 N THR A 80 87.950 -10.407 -2.911 1.00 0.00 N ATOM 1335 CA THR A 80 86.684 -10.790 -3.515 1.00 0.00 C ATOM 1336 C THR A 80 86.687 -12.280 -3.828 1.00 0.00 C ATOM 1337 O THR A 80 87.701 -12.956 -3.636 1.00 0.00 O ATOM 1338 CB THR A 80 86.421 -10.002 -4.812 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.482 -10.238 -5.746 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.311 -8.513 -4.531 1.00 0.00 C ATOM 0 H THR A 80 88.741 -10.411 -3.555 1.00 0.00 H new ATOM 0 HA THR A 80 85.892 -10.560 -2.802 1.00 0.00 H new ATOM 0 HB THR A 80 85.476 -10.344 -5.235 1.00 0.00 H new ATOM 0 HG1 THR A 80 88.247 -9.667 -5.524 1.00 0.00 H new ATOM 0 HG21 THR A 80 86.125 -7.980 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.488 -8.333 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.241 -8.157 -4.088 1.00 0.00 H new ATOM 1348 N LEU A 81 85.565 -12.791 -4.324 1.00 0.00 N ATOM 1349 CA LEU A 81 85.459 -14.204 -4.669 1.00 0.00 C ATOM 1350 C LEU A 81 86.366 -14.551 -5.850 1.00 0.00 C ATOM 1351 O LEU A 81 86.826 -15.684 -5.977 1.00 0.00 O ATOM 1352 CB LEU A 81 84.007 -14.568 -4.998 1.00 0.00 C ATOM 1353 CG LEU A 81 83.757 -16.052 -5.273 1.00 0.00 C ATOM 1354 CD1 LEU A 81 84.131 -16.879 -4.059 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.305 -16.293 -5.651 1.00 0.00 C ATOM 0 H LEU A 81 84.718 -12.249 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 81 85.783 -14.785 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.373 -14.256 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 81 83.694 -13.995 -5.871 1.00 0.00 H new ATOM 0 HG LEU A 81 84.382 -16.357 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.949 -17.933 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 81 85.186 -16.732 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.527 -16.568 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 81 82.150 -17.355 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.658 -15.973 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.063 -15.724 -6.549 1.00 0.00 H new ATOM 1367 N ASP A 82 86.651 -13.562 -6.693 1.00 0.00 N ATOM 1368 CA ASP A 82 87.454 -13.784 -7.895 1.00 0.00 C ATOM 1369 C ASP A 82 88.944 -13.754 -7.564 1.00 0.00 C ATOM 1370 O ASP A 82 89.783 -13.840 -8.461 1.00 0.00 O ATOM 1371 CB ASP A 82 87.171 -12.708 -8.952 1.00 0.00 C ATOM 1372 CG ASP A 82 85.713 -12.308 -9.027 1.00 0.00 C ATOM 1373 OD1 ASP A 82 84.947 -12.933 -9.792 1.00 0.00 O ATOM 1374 OD2 ASP A 82 85.334 -11.342 -8.334 1.00 0.00 O ATOM 0 H ASP A 82 86.339 -12.599 -6.567 1.00 0.00 H new ATOM 0 HA ASP A 82 87.182 -14.764 -8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.771 -11.825 -8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 82 87.490 -13.075 -9.928 1.00 0.00 H new ATOM 1379 N ASN A 83 89.256 -13.614 -6.271 1.00 0.00 N ATOM 1380 CA ASN A 83 90.640 -13.478 -5.791 1.00 0.00 C ATOM 1381 C ASN A 83 91.213 -12.116 -6.162 1.00 0.00 C ATOM 1382 O ASN A 83 92.407 -11.868 -6.005 1.00 0.00 O ATOM 1383 CB ASN A 83 91.556 -14.597 -6.318 1.00 0.00 C ATOM 1384 CG ASN A 83 91.495 -15.867 -5.483 1.00 0.00 C ATOM 1385 OD1 ASN A 83 90.331 -16.171 -4.933 1.00 0.00 O flip ATOM 1386 ND2 ASN A 83 92.492 -16.580 -5.348 1.00 0.00 N flip ATOM 0 H ASN A 83 88.559 -13.592 -5.527 1.00 0.00 H new ATOM 0 HA ASN A 83 90.604 -13.567 -4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.277 -14.832 -7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.584 -14.235 -6.342 1.00 0.00 H new ATOM 0 HD21 ASN A 83 93.373 -16.313 -5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 83 92.436 -17.437 -4.797 1.00 0.00 H new ATOM 1393 N VAL A 84 90.349 -11.226 -6.635 1.00 0.00 N ATOM 1394 CA VAL A 84 90.754 -9.868 -6.957 1.00 0.00 C ATOM 1395 C VAL A 84 90.715 -9.029 -5.690 1.00 0.00 C ATOM 1396 O VAL A 84 89.709 -9.018 -4.978 1.00 0.00 O ATOM 1397 CB VAL A 84 89.835 -9.242 -8.030 1.00 0.00 C ATOM 1398 CG1 VAL A 84 90.270 -7.821 -8.358 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.823 -10.097 -9.288 1.00 0.00 C ATOM 0 H VAL A 84 89.363 -11.423 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 84 91.765 -9.893 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 84 88.823 -9.203 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.607 -7.403 -9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 84 90.223 -7.209 -7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 84 91.292 -7.832 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 84 89.170 -9.640 -10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.834 -10.170 -9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.456 -11.094 -9.047 1.00 0.00 H new ATOM 1409 N ARG A 85 91.801 -8.342 -5.395 1.00 0.00 N ATOM 1410 CA ARG A 85 91.911 -7.633 -4.135 1.00 0.00 C ATOM 1411 C ARG A 85 91.800 -6.126 -4.326 1.00 0.00 C ATOM 1412 O ARG A 85 92.472 -5.533 -5.174 1.00 0.00 O ATOM 1413 CB ARG A 85 93.214 -8.022 -3.434 1.00 0.00 C ATOM 1414 CG ARG A 85 93.196 -9.469 -2.968 1.00 0.00 C ATOM 1415 CD ARG A 85 94.519 -9.912 -2.367 1.00 0.00 C ATOM 1416 NE ARG A 85 94.377 -11.204 -1.695 1.00 0.00 N ATOM 1417 CZ ARG A 85 95.332 -12.126 -1.605 1.00 0.00 C ATOM 1418 NH1 ARG A 85 96.532 -11.919 -2.129 1.00 0.00 N ATOM 1419 NH2 ARG A 85 95.075 -13.264 -0.976 1.00 0.00 N ATOM 0 H ARG A 85 92.614 -8.260 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 85 91.076 -7.925 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.052 -7.870 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.376 -7.367 -2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 85 92.405 -9.598 -2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 85 92.952 -10.114 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 85 95.273 -9.985 -3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 85 94.870 -9.164 -1.656 1.00 0.00 H new ATOM 0 HE ARG A 85 93.477 -11.414 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 85 96.734 -11.043 -2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 85 97.253 -12.636 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 85 94.154 -13.425 -0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 85 95.798 -13.979 -0.900 1.00 0.00 H new ATOM 1433 N VAL A 86 90.919 -5.522 -3.539 1.00 0.00 N ATOM 1434 CA VAL A 86 90.678 -4.091 -3.602 1.00 0.00 C ATOM 1435 C VAL A 86 91.590 -3.367 -2.621 1.00 0.00 C ATOM 1436 O VAL A 86 91.439 -3.506 -1.410 1.00 0.00 O ATOM 1437 CB VAL A 86 89.207 -3.754 -3.282 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.957 -2.260 -3.394 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.270 -4.527 -4.198 1.00 0.00 C ATOM 0 H VAL A 86 90.355 -6.010 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 86 90.892 -3.760 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 86 89.005 -4.053 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.913 -2.048 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.599 -1.730 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 86 89.180 -1.929 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.237 -4.276 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.475 -4.263 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.426 -5.597 -4.059 1.00 0.00 H new ATOM 1449 N VAL A 87 92.523 -2.596 -3.156 1.00 0.00 N ATOM 1450 CA VAL A 87 93.554 -1.961 -2.353 1.00 0.00 C ATOM 1451 C VAL A 87 93.284 -0.467 -2.192 1.00 0.00 C ATOM 1452 O VAL A 87 92.823 0.203 -3.124 1.00 0.00 O ATOM 1453 CB VAL A 87 94.950 -2.157 -2.988 1.00 0.00 C ATOM 1454 CG1 VAL A 87 96.044 -1.589 -2.093 1.00 0.00 C ATOM 1455 CG2 VAL A 87 95.209 -3.627 -3.281 1.00 0.00 C ATOM 0 H VAL A 87 92.587 -2.394 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 87 93.535 -2.435 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 87 94.967 -1.611 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 87 97.015 -1.741 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.875 -0.522 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 87 96.025 -2.097 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 87 96.197 -3.740 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 87 95.163 -4.197 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.453 -3.999 -3.973 1.00 0.00 H new ATOM 1465 N THR A 88 93.550 0.037 -0.995 1.00 0.00 N ATOM 1466 CA THR A 88 93.459 1.457 -0.706 1.00 0.00 C ATOM 1467 C THR A 88 94.438 1.809 0.415 1.00 0.00 C ATOM 1468 O THR A 88 94.750 0.969 1.261 1.00 0.00 O ATOM 1469 CB THR A 88 92.017 1.853 -0.311 1.00 0.00 C ATOM 1470 OG1 THR A 88 91.125 1.540 -1.388 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.907 3.336 0.016 1.00 0.00 C ATOM 0 H THR A 88 93.835 -0.530 -0.197 1.00 0.00 H new ATOM 0 HA THR A 88 93.720 2.017 -1.604 1.00 0.00 H new ATOM 0 HB THR A 88 91.749 1.289 0.583 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.445 0.907 -1.076 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.879 3.573 0.288 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.568 3.575 0.850 1.00 0.00 H new ATOM 0 HG23 THR A 88 92.196 3.923 -0.856 1.00 0.00 H new ATOM 1479 N ASP A 89 94.960 3.028 0.390 1.00 0.00 N ATOM 1480 CA ASP A 89 95.900 3.482 1.409 1.00 0.00 C ATOM 1481 C ASP A 89 95.301 3.409 2.813 1.00 0.00 C ATOM 1482 O ASP A 89 94.208 3.919 3.076 1.00 0.00 O ATOM 1483 CB ASP A 89 96.361 4.903 1.114 1.00 0.00 C ATOM 1484 CG ASP A 89 97.111 5.512 2.276 1.00 0.00 C ATOM 1485 OD1 ASP A 89 98.144 4.950 2.690 1.00 0.00 O ATOM 1486 OD2 ASP A 89 96.668 6.558 2.778 1.00 0.00 O ATOM 0 H ASP A 89 94.748 3.723 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 89 96.758 2.810 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 89 97.001 4.900 0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.496 5.522 0.877 1.00 0.00 H new ATOM 1491 N TYR A 90 96.050 2.783 3.710 1.00 0.00 N ATOM 1492 CA TYR A 90 95.620 2.564 5.085 1.00 0.00 C ATOM 1493 C TYR A 90 95.742 3.850 5.897 1.00 0.00 C ATOM 1494 O TYR A 90 95.038 4.038 6.891 1.00 0.00 O ATOM 1495 CB TYR A 90 96.467 1.438 5.691 1.00 0.00 C ATOM 1496 CG TYR A 90 96.196 1.124 7.145 1.00 0.00 C ATOM 1497 CD1 TYR A 90 95.084 0.380 7.524 1.00 0.00 C ATOM 1498 CD2 TYR A 90 97.067 1.557 8.138 1.00 0.00 C ATOM 1499 CE1 TYR A 90 94.849 0.081 8.852 1.00 0.00 C ATOM 1500 CE2 TYR A 90 96.839 1.260 9.465 1.00 0.00 C ATOM 1501 CZ TYR A 90 95.730 0.523 9.818 1.00 0.00 C ATOM 1502 OH TYR A 90 95.501 0.230 11.142 1.00 0.00 O ATOM 0 H TYR A 90 96.977 2.411 3.504 1.00 0.00 H new ATOM 0 HA TYR A 90 94.570 2.271 5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.306 0.532 5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.519 1.703 5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 90 94.394 0.031 6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.937 2.136 7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 90 93.980 -0.496 9.133 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.526 1.603 10.224 1.00 0.00 H new ATOM 0 HH TYR A 90 96.216 0.614 11.691 1.00 0.00 H new ATOM 1512 N SER A 91 96.617 4.741 5.451 1.00 0.00 N ATOM 1513 CA SER A 91 96.837 6.008 6.131 1.00 0.00 C ATOM 1514 C SER A 91 95.578 6.872 6.070 1.00 0.00 C ATOM 1515 O SER A 91 95.066 7.317 7.100 1.00 0.00 O ATOM 1516 CB SER A 91 98.011 6.745 5.484 1.00 0.00 C ATOM 1517 OG SER A 91 99.059 5.842 5.162 1.00 0.00 O ATOM 0 H SER A 91 97.188 4.608 4.617 1.00 0.00 H new ATOM 0 HA SER A 91 97.070 5.810 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 91 97.673 7.254 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.382 7.513 6.163 1.00 0.00 H new ATOM 0 HG SER A 91 98.912 5.478 4.264 1.00 0.00 H new ATOM 1523 N GLU A 92 95.075 7.095 4.859 1.00 0.00 N ATOM 1524 CA GLU A 92 93.872 7.892 4.661 1.00 0.00 C ATOM 1525 C GLU A 92 92.629 7.152 5.141 1.00 0.00 C ATOM 1526 O GLU A 92 91.648 7.778 5.544 1.00 0.00 O ATOM 1527 CB GLU A 92 93.721 8.286 3.192 1.00 0.00 C ATOM 1528 CG GLU A 92 94.800 9.240 2.708 1.00 0.00 C ATOM 1529 CD GLU A 92 94.621 9.643 1.260 1.00 0.00 C ATOM 1530 OE1 GLU A 92 95.137 8.933 0.371 1.00 0.00 O ATOM 1531 OE2 GLU A 92 93.973 10.676 1.001 1.00 0.00 O ATOM 0 H GLU A 92 95.485 6.733 3.998 1.00 0.00 H new ATOM 0 HA GLU A 92 93.975 8.798 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 92 93.741 7.385 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.745 8.749 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 92 94.795 10.134 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.776 8.770 2.832 1.00 0.00 H new ATOM 1538 N PHE A 93 92.666 5.823 5.106 1.00 0.00 N ATOM 1539 CA PHE A 93 91.562 5.028 5.627 1.00 0.00 C ATOM 1540 C PHE A 93 91.411 5.267 7.128 1.00 0.00 C ATOM 1541 O PHE A 93 90.316 5.546 7.618 1.00 0.00 O ATOM 1542 CB PHE A 93 91.778 3.539 5.347 1.00 0.00 C ATOM 1543 CG PHE A 93 90.651 2.673 5.836 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.411 2.716 5.219 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.829 1.825 6.918 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.370 1.927 5.672 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.792 1.036 7.374 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.561 1.087 6.750 1.00 0.00 C ATOM 0 H PHE A 93 93.441 5.280 4.726 1.00 0.00 H new ATOM 0 HA PHE A 93 90.647 5.338 5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.901 3.392 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.706 3.218 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.256 3.373 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.790 1.781 7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.408 1.968 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.943 0.379 8.218 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.749 0.470 7.105 1.00 0.00 H new ATOM 1558 N GLN A 94 92.523 5.173 7.847 1.00 0.00 N ATOM 1559 CA GLN A 94 92.540 5.460 9.274 1.00 0.00 C ATOM 1560 C GLN A 94 92.230 6.927 9.530 1.00 0.00 C ATOM 1561 O GLN A 94 91.601 7.278 10.527 1.00 0.00 O ATOM 1562 CB GLN A 94 93.899 5.097 9.872 1.00 0.00 C ATOM 1563 CG GLN A 94 94.083 3.608 10.100 1.00 0.00 C ATOM 1564 CD GLN A 94 93.068 3.039 11.071 1.00 0.00 C ATOM 1565 OE1 GLN A 94 92.588 3.734 11.964 1.00 0.00 O ATOM 1566 NE2 GLN A 94 92.738 1.768 10.909 1.00 0.00 N ATOM 0 H GLN A 94 93.427 4.899 7.462 1.00 0.00 H new ATOM 0 HA GLN A 94 91.771 4.855 9.754 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.686 5.455 9.208 1.00 0.00 H new ATOM 0 HB3 GLN A 94 94.020 5.619 10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 94 94.002 3.085 9.147 1.00 0.00 H new ATOM 0 HG3 GLN A 94 95.088 3.423 10.480 1.00 0.00 H new ATOM 0 HE21 GLN A 94 93.158 1.224 10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 94 92.063 1.332 11.538 1.00 0.00 H new ATOM 1575 N LYS A 95 92.673 7.776 8.614 1.00 0.00 N ATOM 1576 CA LYS A 95 92.408 9.207 8.682 1.00 0.00 C ATOM 1577 C LYS A 95 90.904 9.478 8.715 1.00 0.00 C ATOM 1578 O LYS A 95 90.430 10.293 9.507 1.00 0.00 O ATOM 1579 CB LYS A 95 93.046 9.899 7.477 1.00 0.00 C ATOM 1580 CG LYS A 95 92.798 11.394 7.401 1.00 0.00 C ATOM 1581 CD LYS A 95 93.390 11.973 6.128 1.00 0.00 C ATOM 1582 CE LYS A 95 93.127 13.461 6.006 1.00 0.00 C ATOM 1583 NZ LYS A 95 93.701 14.017 4.753 1.00 0.00 N ATOM 0 H LYS A 95 93.225 7.494 7.804 1.00 0.00 H new ATOM 0 HA LYS A 95 92.842 9.605 9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 95 94.121 9.723 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.668 9.435 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 95 91.727 11.592 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 95 93.238 11.885 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 95 94.465 11.792 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 95 92.968 11.458 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 95 92.053 13.644 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 95 93.556 13.978 6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 93.502 15.037 4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 94.730 13.864 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 93.273 13.540 3.934 1.00 0.00 H new ATOM 1597 N ILE A 96 90.160 8.783 7.864 1.00 0.00 N ATOM 1598 CA ILE A 96 88.710 8.936 7.815 1.00 0.00 C ATOM 1599 C ILE A 96 88.057 8.383 9.078 1.00 0.00 C ATOM 1600 O ILE A 96 87.057 8.920 9.556 1.00 0.00 O ATOM 1601 CB ILE A 96 88.114 8.252 6.565 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.580 8.986 5.307 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.590 8.211 6.630 1.00 0.00 C ATOM 1604 CD1 ILE A 96 87.969 8.456 4.033 1.00 0.00 C ATOM 0 H ILE A 96 90.536 8.108 7.198 1.00 0.00 H new ATOM 0 HA ILE A 96 88.499 10.004 7.754 1.00 0.00 H new ATOM 0 HB ILE A 96 88.468 7.222 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.336 10.044 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.665 8.914 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.201 7.724 5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.278 7.653 7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.201 9.228 6.688 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.347 9.026 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.234 7.406 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 96 86.884 8.553 4.082 1.00 0.00 H new ATOM 1616 N LEU A 97 88.630 7.322 9.629 1.00 0.00 N ATOM 1617 CA LEU A 97 88.133 6.760 10.878 1.00 0.00 C ATOM 1618 C LEU A 97 88.253 7.786 12.002 1.00 0.00 C ATOM 1619 O LEU A 97 87.381 7.885 12.864 1.00 0.00 O ATOM 1620 CB LEU A 97 88.893 5.481 11.245 1.00 0.00 C ATOM 1621 CG LEU A 97 88.749 4.328 10.248 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.471 3.090 10.753 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.283 4.017 9.997 1.00 0.00 C ATOM 0 H LEU A 97 89.435 6.835 9.234 1.00 0.00 H new ATOM 0 HA LEU A 97 87.082 6.504 10.742 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.951 5.723 11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.549 5.141 12.222 1.00 0.00 H new ATOM 0 HG LEU A 97 89.204 4.634 9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.357 2.282 10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.530 3.314 10.883 1.00 0.00 H new ATOM 0 HD13 LEU A 97 89.045 2.785 11.709 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.202 3.195 9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.805 3.734 10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.788 4.899 9.590 1.00 0.00 H new ATOM 1635 N LYS A 98 89.333 8.560 11.971 1.00 0.00 N ATOM 1636 CA LYS A 98 89.540 9.636 12.935 1.00 0.00 C ATOM 1637 C LYS A 98 88.601 10.800 12.629 1.00 0.00 C ATOM 1638 O LYS A 98 88.043 11.421 13.531 1.00 0.00 O ATOM 1639 CB LYS A 98 90.991 10.123 12.884 1.00 0.00 C ATOM 1640 CG LYS A 98 92.017 9.017 13.068 1.00 0.00 C ATOM 1641 CD LYS A 98 93.426 9.516 12.791 1.00 0.00 C ATOM 1642 CE LYS A 98 94.424 8.370 12.761 1.00 0.00 C ATOM 1643 NZ LYS A 98 95.795 8.834 12.419 1.00 0.00 N ATOM 0 H LYS A 98 90.082 8.462 11.285 1.00 0.00 H new ATOM 0 HA LYS A 98 89.327 9.253 13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 98 91.166 10.613 11.926 1.00 0.00 H new ATOM 0 HB3 LYS A 98 91.139 10.876 13.659 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.960 8.631 14.086 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.785 8.188 12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.446 10.043 11.837 1.00 0.00 H new ATOM 0 HD3 LYS A 98 93.717 10.234 13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 98 94.440 7.878 13.733 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.101 7.627 12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 96.444 8.022 12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 95.786 9.281 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 96.115 9.524 13.128 1.00 0.00 H new ATOM 1657 N LYS A 99 88.431 11.073 11.340 1.00 0.00 N ATOM 1658 CA LYS A 99 87.593 12.172 10.872 1.00 0.00 C ATOM 1659 C LYS A 99 86.125 11.946 11.233 1.00 0.00 C ATOM 1660 O LYS A 99 85.449 12.851 11.721 1.00 0.00 O ATOM 1661 CB LYS A 99 87.738 12.319 9.354 1.00 0.00 C ATOM 1662 CG LYS A 99 86.954 13.480 8.763 1.00 0.00 C ATOM 1663 CD LYS A 99 87.527 14.819 9.194 1.00 0.00 C ATOM 1664 CE LYS A 99 86.732 15.976 8.610 1.00 0.00 C ATOM 1665 NZ LYS A 99 87.360 17.288 8.912 1.00 0.00 N ATOM 0 H LYS A 99 88.870 10.539 10.590 1.00 0.00 H new ATOM 0 HA LYS A 99 87.924 13.086 11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.793 12.447 9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 99 87.411 11.395 8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 99 86.966 13.412 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 99 85.912 13.412 9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.523 14.885 10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 99 88.567 14.892 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 99 86.651 15.852 7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 99 85.718 15.958 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 86.788 18.051 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 87.414 17.418 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 88.318 17.315 8.509 1.00 0.00 H new ATOM 1679 N ARG A 100 85.636 10.739 10.985 1.00 0.00 N ATOM 1680 CA ARG A 100 84.235 10.424 11.238 1.00 0.00 C ATOM 1681 C ARG A 100 84.027 9.906 12.659 1.00 0.00 C ATOM 1682 O ARG A 100 82.893 9.726 13.097 1.00 0.00 O ATOM 1683 CB ARG A 100 83.715 9.396 10.227 1.00 0.00 C ATOM 1684 CG ARG A 100 83.800 9.863 8.781 1.00 0.00 C ATOM 1685 CD ARG A 100 82.980 8.968 7.863 1.00 0.00 C ATOM 1686 NE ARG A 100 83.073 9.372 6.457 1.00 0.00 N ATOM 1687 CZ ARG A 100 82.465 10.443 5.938 1.00 0.00 C ATOM 1688 NH1 ARG A 100 81.768 11.264 6.715 1.00 0.00 N ATOM 1689 NH2 ARG A 100 82.560 10.695 4.641 1.00 0.00 N ATOM 0 H ARG A 100 86.184 9.965 10.611 1.00 0.00 H new ATOM 0 HA ARG A 100 83.670 11.349 11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 100 84.284 8.473 10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 100 82.677 9.160 10.463 1.00 0.00 H new ATOM 0 HG2 ARG A 100 83.442 10.890 8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 100 84.841 9.864 8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 100 83.321 7.938 7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 100 81.936 8.991 8.176 1.00 0.00 H new ATOM 0 HE ARG A 100 83.640 8.797 5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 100 81.694 11.079 7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 100 81.307 12.079 6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 100 83.097 10.072 4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 100 82.096 11.512 4.245 1.00 0.00 H new ATOM 1703 N GLY A 101 85.122 9.656 13.368 1.00 0.00 N ATOM 1704 CA GLY A 101 85.023 9.216 14.748 1.00 0.00 C ATOM 1705 C GLY A 101 84.607 7.764 14.863 1.00 0.00 C ATOM 1706 O GLY A 101 84.009 7.357 15.856 1.00 0.00 O ATOM 0 H GLY A 101 86.074 9.750 13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.985 9.356 15.241 1.00 0.00 H new ATOM 0 HA3 GLY A 101 84.302 9.841 15.275 1.00 0.00 H new