USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 68:sc= -0.11 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -160:sc= -2.01! (180deg=-2.56!) USER MOD Single : A 107 ASN : amide:sc= -5.23! C(o=-5.2!,f=-11!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 173:sc= -2.1 (180deg=-2.62) USER MOD Single : A 120 MET CE :methyl -173:sc=-0.000325 (180deg=-0.00897) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot -46:sc= 1.11 USER MOD Single : A 127 THR OG1 : rot 93:sc= 0.356 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 137 MET CE :methyl 168:sc= -0.0787 (180deg=-0.538) USER MOD Single : A 138 LYS NZ :NH3+ 149:sc= -0.308 (180deg=-1.58!) USER MOD Single : A 142 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0403) USER MOD Single : A 143 ASN : amide:sc= -9.55! C(o=-9.5!,f=-13!) USER MOD Single : A 144 ASN :FLIP amide:sc= -0.178! F(o=-0.7,f=-0.18!) USER MOD Single : A 150 TYR OH : rot -56:sc= 0.0104 USER MOD Single : A 157 MET CE :methyl -121:sc= -2.73 (180deg=-4.94!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 57.911 11.084 15.593 1.00 0.00 N ATOM 2 CA GLY A 91 56.935 10.863 14.530 1.00 0.00 C ATOM 3 C GLY A 91 56.106 9.615 14.809 1.00 0.00 C ATOM 4 O GLY A 91 56.443 8.517 14.367 1.00 0.00 O ATOM 0 HA2 GLY A 91 56.279 11.730 14.446 1.00 0.00 H new ATOM 0 HA3 GLY A 91 57.449 10.758 13.574 1.00 0.00 H new ATOM 8 N LYS A 92 55.017 9.796 15.550 1.00 0.00 N ATOM 9 CA LYS A 92 54.144 8.676 15.888 1.00 0.00 C ATOM 10 C LYS A 92 54.876 7.683 16.784 1.00 0.00 C ATOM 11 O LYS A 92 56.054 7.858 17.099 1.00 0.00 O ATOM 12 CB LYS A 92 53.683 7.953 14.620 1.00 0.00 C ATOM 13 CG LYS A 92 52.389 8.589 14.107 1.00 0.00 C ATOM 14 CD LYS A 92 51.661 7.602 13.193 1.00 0.00 C ATOM 15 CE LYS A 92 51.393 8.264 11.841 1.00 0.00 C ATOM 16 NZ LYS A 92 49.927 8.480 11.677 1.00 0.00 N ATOM 0 H LYS A 92 54.720 10.697 15.925 1.00 0.00 H new ATOM 0 HA LYS A 92 53.277 9.074 16.415 1.00 0.00 H new ATOM 0 HB2 LYS A 92 54.457 8.011 13.855 1.00 0.00 H new ATOM 0 HB3 LYS A 92 53.522 6.896 14.831 1.00 0.00 H new ATOM 0 HG2 LYS A 92 51.749 8.864 14.946 1.00 0.00 H new ATOM 0 HG3 LYS A 92 52.613 9.507 13.563 1.00 0.00 H new ATOM 0 HD2 LYS A 92 52.263 6.703 13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 92 50.722 7.291 13.650 1.00 0.00 H new ATOM 0 HE2 LYS A 92 51.921 9.215 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 92 51.772 7.636 11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 49.743 8.930 10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 49.434 7.565 11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 49.579 9.096 12.440 1.00 0.00 H new ATOM 30 N SER A 93 54.164 6.637 17.190 1.00 0.00 N ATOM 31 CA SER A 93 54.753 5.613 18.049 1.00 0.00 C ATOM 32 C SER A 93 54.993 4.333 17.257 1.00 0.00 C ATOM 33 O SER A 93 54.180 3.945 16.419 1.00 0.00 O ATOM 34 CB SER A 93 53.827 5.306 19.226 1.00 0.00 C ATOM 35 OG SER A 93 53.625 6.492 19.984 1.00 0.00 O ATOM 0 H SER A 93 53.188 6.475 16.942 1.00 0.00 H new ATOM 0 HA SER A 93 55.703 5.992 18.426 1.00 0.00 H new ATOM 0 HB2 SER A 93 52.872 4.925 18.863 1.00 0.00 H new ATOM 0 HB3 SER A 93 54.263 4.529 19.854 1.00 0.00 H new ATOM 0 HG SER A 93 53.030 6.300 20.739 1.00 0.00 H new ATOM 41 N GLU A 94 56.120 3.683 17.529 1.00 0.00 N ATOM 42 CA GLU A 94 56.459 2.446 16.831 1.00 0.00 C ATOM 43 C GLU A 94 55.217 1.579 16.658 1.00 0.00 C ATOM 44 O GLU A 94 55.038 0.923 15.631 1.00 0.00 O ATOM 45 CB GLU A 94 57.515 1.659 17.610 1.00 0.00 C ATOM 46 CG GLU A 94 58.817 1.624 16.807 1.00 0.00 C ATOM 47 CD GLU A 94 59.837 2.555 17.454 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.935 2.541 18.669 1.00 0.00 O ATOM 49 OE2 GLU A 94 60.506 3.267 16.723 1.00 0.00 O ATOM 0 H GLU A 94 56.807 3.987 18.219 1.00 0.00 H new ATOM 0 HA GLU A 94 56.859 2.710 15.852 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.686 2.122 18.582 1.00 0.00 H new ATOM 0 HB3 GLU A 94 57.163 0.645 17.798 1.00 0.00 H new ATOM 0 HG2 GLU A 94 59.208 0.607 16.771 1.00 0.00 H new ATOM 0 HG3 GLU A 94 58.631 1.930 15.778 1.00 0.00 H new ATOM 56 N GLU A 95 54.357 1.586 17.673 1.00 0.00 N ATOM 57 CA GLU A 95 53.128 0.799 17.621 1.00 0.00 C ATOM 58 C GLU A 95 52.404 1.041 16.301 1.00 0.00 C ATOM 59 O GLU A 95 51.675 0.181 15.807 1.00 0.00 O ATOM 60 CB GLU A 95 52.202 1.172 18.780 1.00 0.00 C ATOM 61 CG GLU A 95 52.291 0.101 19.869 1.00 0.00 C ATOM 62 CD GLU A 95 50.904 -0.151 20.450 1.00 0.00 C ATOM 63 OE1 GLU A 95 50.020 0.648 20.189 1.00 0.00 O ATOM 64 OE2 GLU A 95 50.746 -1.140 21.147 1.00 0.00 O ATOM 0 H GLU A 95 54.485 2.121 18.532 1.00 0.00 H new ATOM 0 HA GLU A 95 53.395 -0.255 17.702 1.00 0.00 H new ATOM 0 HB2 GLU A 95 52.484 2.143 19.186 1.00 0.00 H new ATOM 0 HB3 GLU A 95 51.175 1.261 18.425 1.00 0.00 H new ATOM 0 HG2 GLU A 95 52.696 -0.822 19.454 1.00 0.00 H new ATOM 0 HG3 GLU A 95 52.973 0.423 20.656 1.00 0.00 H new ATOM 71 N GLU A 96 52.622 2.224 15.732 1.00 0.00 N ATOM 72 CA GLU A 96 51.995 2.577 14.461 1.00 0.00 C ATOM 73 C GLU A 96 52.848 2.073 13.301 1.00 0.00 C ATOM 74 O GLU A 96 52.353 1.844 12.197 1.00 0.00 O ATOM 75 CB GLU A 96 51.838 4.094 14.343 1.00 0.00 C ATOM 76 CG GLU A 96 50.357 4.465 14.448 1.00 0.00 C ATOM 77 CD GLU A 96 50.101 5.167 15.777 1.00 0.00 C ATOM 78 OE1 GLU A 96 50.925 5.028 16.667 1.00 0.00 O ATOM 79 OE2 GLU A 96 49.085 5.834 15.887 1.00 0.00 O ATOM 0 H GLU A 96 53.222 2.948 16.126 1.00 0.00 H new ATOM 0 HA GLU A 96 51.010 2.111 14.425 1.00 0.00 H new ATOM 0 HB2 GLU A 96 52.405 4.591 15.130 1.00 0.00 H new ATOM 0 HB3 GLU A 96 52.244 4.439 13.392 1.00 0.00 H new ATOM 0 HG2 GLU A 96 50.075 5.116 13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 96 49.741 3.569 14.373 1.00 0.00 H new ATOM 86 N LEU A 97 54.140 1.901 13.571 1.00 0.00 N ATOM 87 CA LEU A 97 55.070 1.420 12.554 1.00 0.00 C ATOM 88 C LEU A 97 54.688 0.014 12.104 1.00 0.00 C ATOM 89 O LEU A 97 54.616 -0.274 10.910 1.00 0.00 O ATOM 90 CB LEU A 97 56.494 1.393 13.111 1.00 0.00 C ATOM 91 CG LEU A 97 57.360 2.406 12.361 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.737 2.485 13.023 1.00 0.00 C ATOM 93 CD2 LEU A 97 57.519 1.961 10.906 1.00 0.00 C ATOM 0 H LEU A 97 54.564 2.086 14.480 1.00 0.00 H new ATOM 0 HA LEU A 97 55.022 2.099 11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 97 56.483 1.627 14.176 1.00 0.00 H new ATOM 0 HB3 LEU A 97 56.916 0.393 13.009 1.00 0.00 H new ATOM 0 HG LEU A 97 56.884 3.386 12.391 1.00 0.00 H new ATOM 0 HD11 LEU A 97 59.356 3.207 12.490 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.624 2.800 14.060 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.213 1.505 12.991 1.00 0.00 H new ATOM 0 HD21 LEU A 97 58.136 2.682 10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 97 57.996 0.981 10.875 1.00 0.00 H new ATOM 0 HD23 LEU A 97 56.538 1.902 10.434 1.00 0.00 H new ATOM 105 N SER A 98 54.445 -0.860 13.078 1.00 0.00 N ATOM 106 CA SER A 98 54.071 -2.238 12.774 1.00 0.00 C ATOM 107 C SER A 98 53.055 -2.273 11.638 1.00 0.00 C ATOM 108 O SER A 98 53.006 -3.224 10.858 1.00 0.00 O ATOM 109 CB SER A 98 53.466 -2.914 14.004 1.00 0.00 C ATOM 110 OG SER A 98 52.620 -1.991 14.677 1.00 0.00 O ATOM 0 H SER A 98 54.499 -0.642 14.073 1.00 0.00 H new ATOM 0 HA SER A 98 54.972 -2.773 12.475 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.898 -3.796 13.707 1.00 0.00 H new ATOM 0 HB3 SER A 98 54.257 -3.255 14.672 1.00 0.00 H new ATOM 0 HG SER A 98 51.833 -1.806 14.124 1.00 0.00 H new ATOM 116 N ASP A 99 52.242 -1.223 11.554 1.00 0.00 N ATOM 117 CA ASP A 99 51.228 -1.142 10.508 1.00 0.00 C ATOM 118 C ASP A 99 51.850 -0.660 9.203 1.00 0.00 C ATOM 119 O ASP A 99 51.573 -1.197 8.134 1.00 0.00 O ATOM 120 CB ASP A 99 50.109 -0.182 10.914 1.00 0.00 C ATOM 121 CG ASP A 99 49.606 -0.549 12.305 1.00 0.00 C ATOM 122 OD1 ASP A 99 50.116 -1.506 12.864 1.00 0.00 O ATOM 123 OD2 ASP A 99 48.719 0.132 12.793 1.00 0.00 O ATOM 0 H ASP A 99 52.265 -0.426 12.190 1.00 0.00 H new ATOM 0 HA ASP A 99 50.811 -2.139 10.367 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.475 0.845 10.907 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.292 -0.234 10.195 1.00 0.00 H new ATOM 128 N LEU A 100 52.696 0.361 9.302 1.00 0.00 N ATOM 129 CA LEU A 100 53.354 0.909 8.119 1.00 0.00 C ATOM 130 C LEU A 100 53.822 -0.217 7.199 1.00 0.00 C ATOM 131 O LEU A 100 53.631 -0.162 5.985 1.00 0.00 O ATOM 132 CB LEU A 100 54.559 1.762 8.526 1.00 0.00 C ATOM 133 CG LEU A 100 54.422 3.160 7.921 1.00 0.00 C ATOM 134 CD1 LEU A 100 55.392 4.116 8.617 1.00 0.00 C ATOM 135 CD2 LEU A 100 54.749 3.103 6.427 1.00 0.00 C ATOM 0 H LEU A 100 52.941 0.822 10.178 1.00 0.00 H new ATOM 0 HA LEU A 100 52.634 1.532 7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.621 1.829 9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.482 1.294 8.183 1.00 0.00 H new ATOM 0 HG LEU A 100 53.401 3.515 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 100 55.294 5.112 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 100 55.161 4.157 9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 100 56.413 3.761 8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 100 54.652 4.099 5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 100 55.770 2.747 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 100 54.058 2.422 5.929 1.00 0.00 H new ATOM 147 N PHE A 101 54.433 -1.242 7.791 1.00 0.00 N ATOM 148 CA PHE A 101 54.917 -2.377 7.010 1.00 0.00 C ATOM 149 C PHE A 101 53.749 -3.073 6.315 1.00 0.00 C ATOM 150 O PHE A 101 53.723 -3.194 5.090 1.00 0.00 O ATOM 151 CB PHE A 101 55.639 -3.386 7.903 1.00 0.00 C ATOM 152 CG PHE A 101 56.560 -4.228 7.054 1.00 0.00 C ATOM 153 CD1 PHE A 101 56.026 -5.170 6.168 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.948 -4.063 7.148 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.878 -5.949 5.376 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.800 -4.842 6.357 1.00 0.00 C ATOM 157 CZ PHE A 101 58.266 -5.785 5.470 1.00 0.00 C ATOM 0 H PHE A 101 54.603 -1.310 8.795 1.00 0.00 H new ATOM 0 HA PHE A 101 55.617 -1.997 6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 101 56.209 -2.866 8.673 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.915 -4.020 8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.956 -5.296 6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 101 58.360 -3.335 7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.465 -6.676 4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.870 -4.716 6.431 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.924 -6.385 4.859 1.00 0.00 H new ATOM 167 N ARG A 102 52.774 -3.518 7.108 1.00 0.00 N ATOM 168 CA ARG A 102 51.603 -4.185 6.545 1.00 0.00 C ATOM 169 C ARG A 102 50.898 -3.232 5.590 1.00 0.00 C ATOM 170 O ARG A 102 50.378 -3.632 4.549 1.00 0.00 O ATOM 171 CB ARG A 102 50.627 -4.604 7.648 1.00 0.00 C ATOM 172 CG ARG A 102 49.351 -5.166 7.013 1.00 0.00 C ATOM 173 CD ARG A 102 48.714 -6.191 7.954 1.00 0.00 C ATOM 174 NE ARG A 102 48.153 -5.534 9.131 1.00 0.00 N ATOM 175 CZ ARG A 102 47.325 -6.180 9.949 1.00 0.00 C ATOM 176 NH1 ARG A 102 46.998 -7.419 9.704 1.00 0.00 N ATOM 177 NH2 ARG A 102 46.840 -5.573 10.997 1.00 0.00 N ATOM 0 H ARG A 102 52.771 -3.431 8.124 1.00 0.00 H new ATOM 0 HA ARG A 102 51.933 -5.079 6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 102 51.088 -5.355 8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.386 -3.749 8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.648 -4.358 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.585 -5.633 6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 102 47.931 -6.737 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 102 49.461 -6.923 8.262 1.00 0.00 H new ATOM 0 HE ARG A 102 48.400 -4.564 9.330 1.00 0.00 H new ATOM 0 HH11 ARG A 102 47.377 -7.894 8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 102 46.363 -7.913 10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 102 47.095 -4.604 11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 102 46.205 -6.067 11.624 1.00 0.00 H new ATOM 191 N MET A 103 50.911 -1.957 5.961 1.00 0.00 N ATOM 192 CA MET A 103 50.300 -0.919 5.145 1.00 0.00 C ATOM 193 C MET A 103 50.923 -0.942 3.755 1.00 0.00 C ATOM 194 O MET A 103 50.300 -0.561 2.764 1.00 0.00 O ATOM 195 CB MET A 103 50.537 0.451 5.785 1.00 0.00 C ATOM 196 CG MET A 103 49.395 1.405 5.428 1.00 0.00 C ATOM 197 SD MET A 103 47.827 0.730 6.030 1.00 0.00 S ATOM 198 CE MET A 103 47.138 2.279 6.665 1.00 0.00 C ATOM 0 H MET A 103 51.339 -1.619 6.823 1.00 0.00 H new ATOM 0 HA MET A 103 49.228 -1.101 5.072 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.609 0.347 6.868 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.486 0.862 5.440 1.00 0.00 H new ATOM 0 HG2 MET A 103 49.574 2.385 5.871 1.00 0.00 H new ATOM 0 HG3 MET A 103 49.351 1.547 4.348 1.00 0.00 H new ATOM 0 HE1 MET A 103 46.152 2.091 7.091 1.00 0.00 H new ATOM 0 HE2 MET A 103 47.796 2.681 7.436 1.00 0.00 H new ATOM 0 HE3 MET A 103 47.050 2.999 5.851 1.00 0.00 H new ATOM 208 N PHE A 104 52.167 -1.412 3.705 1.00 0.00 N ATOM 209 CA PHE A 104 52.893 -1.510 2.445 1.00 0.00 C ATOM 210 C PHE A 104 52.843 -2.947 1.936 1.00 0.00 C ATOM 211 O PHE A 104 52.762 -3.196 0.734 1.00 0.00 O ATOM 212 CB PHE A 104 54.355 -1.095 2.635 1.00 0.00 C ATOM 213 CG PHE A 104 54.828 -0.337 1.418 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.668 -0.889 0.140 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.426 0.921 1.566 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.106 -0.184 -0.987 1.00 0.00 C ATOM 217 CE2 PHE A 104 55.864 1.625 0.438 1.00 0.00 C ATOM 218 CZ PHE A 104 55.704 1.073 -0.838 1.00 0.00 C ATOM 0 H PHE A 104 52.691 -1.730 4.521 1.00 0.00 H new ATOM 0 HA PHE A 104 52.425 -0.843 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.454 -0.473 3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.977 -1.977 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.207 -1.859 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.549 1.348 2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 104 54.983 -0.610 -1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.326 2.595 0.553 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.042 1.617 -1.708 1.00 0.00 H new ATOM 228 N ASP A 105 52.887 -3.891 2.874 1.00 0.00 N ATOM 229 CA ASP A 105 52.841 -5.308 2.523 1.00 0.00 C ATOM 230 C ASP A 105 51.405 -5.740 2.246 1.00 0.00 C ATOM 231 O ASP A 105 50.672 -6.129 3.155 1.00 0.00 O ATOM 232 CB ASP A 105 53.403 -6.161 3.663 1.00 0.00 C ATOM 233 CG ASP A 105 54.411 -7.160 3.103 1.00 0.00 C ATOM 234 OD1 ASP A 105 55.009 -6.860 2.083 1.00 0.00 O ATOM 235 OD2 ASP A 105 54.570 -8.211 3.703 1.00 0.00 O ATOM 0 H ASP A 105 52.954 -3.703 3.874 1.00 0.00 H new ATOM 0 HA ASP A 105 53.446 -5.452 1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 105 53.882 -5.523 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 105 52.595 -6.689 4.169 1.00 0.00 H new ATOM 240 N LYS A 106 51.010 -5.666 0.978 1.00 0.00 N ATOM 241 CA LYS A 106 49.656 -6.053 0.591 1.00 0.00 C ATOM 242 C LYS A 106 49.679 -7.365 -0.186 1.00 0.00 C ATOM 243 O LYS A 106 48.767 -7.663 -0.958 1.00 0.00 O ATOM 244 CB LYS A 106 49.016 -4.968 -0.278 1.00 0.00 C ATOM 245 CG LYS A 106 50.080 -4.351 -1.187 1.00 0.00 C ATOM 246 CD LYS A 106 49.427 -3.319 -2.109 1.00 0.00 C ATOM 247 CE LYS A 106 49.148 -3.956 -3.471 1.00 0.00 C ATOM 248 NZ LYS A 106 48.713 -2.903 -4.432 1.00 0.00 N ATOM 0 H LYS A 106 51.599 -5.346 0.209 1.00 0.00 H new ATOM 0 HA LYS A 106 49.069 -6.180 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 106 48.212 -5.395 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 106 48.570 -4.199 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.857 -3.878 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.564 -5.128 -1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 106 48.498 -2.957 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 106 50.081 -2.455 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 106 50.044 -4.454 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 106 48.375 -4.719 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 48.209 -3.345 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 48.080 -2.233 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 49.546 -2.394 -4.790 1.00 0.00 H new ATOM 262 N ASN A 107 50.733 -8.147 0.028 1.00 0.00 N ATOM 263 CA ASN A 107 50.870 -9.431 -0.656 1.00 0.00 C ATOM 264 C ASN A 107 51.138 -10.550 0.348 1.00 0.00 C ATOM 265 O ASN A 107 51.314 -11.709 -0.027 1.00 0.00 O ATOM 266 CB ASN A 107 52.020 -9.381 -1.666 1.00 0.00 C ATOM 267 CG ASN A 107 53.354 -9.394 -0.925 1.00 0.00 C ATOM 268 OD1 ASN A 107 54.098 -10.372 -0.990 1.00 0.00 O ATOM 269 ND2 ASN A 107 53.706 -8.353 -0.219 1.00 0.00 N ATOM 0 H ASN A 107 51.498 -7.918 0.663 1.00 0.00 H new ATOM 0 HA ASN A 107 49.935 -9.632 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 107 51.960 -10.233 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 107 51.941 -8.482 -2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 107 54.597 -8.351 0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 107 53.090 -7.542 -0.164 1.00 0.00 H new ATOM 276 N ALA A 108 51.169 -10.191 1.630 1.00 0.00 N ATOM 277 CA ALA A 108 51.418 -11.172 2.682 1.00 0.00 C ATOM 278 C ALA A 108 52.651 -12.005 2.359 1.00 0.00 C ATOM 279 O ALA A 108 52.564 -13.055 1.723 1.00 0.00 O ATOM 280 CB ALA A 108 50.222 -12.105 2.844 1.00 0.00 C ATOM 0 H ALA A 108 51.026 -9.237 1.962 1.00 0.00 H new ATOM 0 HA ALA A 108 51.581 -10.625 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 108 50.429 -12.828 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 108 49.339 -11.523 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 108 50.042 -12.632 1.907 1.00 0.00 H new ATOM 286 N ASP A 109 53.799 -11.523 2.815 1.00 0.00 N ATOM 287 CA ASP A 109 55.058 -12.224 2.584 1.00 0.00 C ATOM 288 C ASP A 109 56.091 -11.809 3.626 1.00 0.00 C ATOM 289 O ASP A 109 56.882 -12.625 4.098 1.00 0.00 O ATOM 290 CB ASP A 109 55.601 -11.914 1.188 1.00 0.00 C ATOM 291 CG ASP A 109 55.895 -10.423 1.075 1.00 0.00 C ATOM 292 OD1 ASP A 109 55.124 -9.644 1.612 1.00 0.00 O ATOM 293 OD2 ASP A 109 56.887 -10.081 0.453 1.00 0.00 O ATOM 0 H ASP A 109 53.887 -10.655 3.344 1.00 0.00 H new ATOM 0 HA ASP A 109 54.868 -13.294 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 109 56.508 -12.489 1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 109 54.876 -12.211 0.430 1.00 0.00 H new ATOM 298 N GLY A 110 56.071 -10.526 3.980 1.00 0.00 N ATOM 299 CA GLY A 110 57.008 -10.003 4.971 1.00 0.00 C ATOM 300 C GLY A 110 58.129 -9.218 4.300 1.00 0.00 C ATOM 301 O GLY A 110 59.170 -8.958 4.904 1.00 0.00 O ATOM 0 H GLY A 110 55.423 -9.836 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 110 56.478 -9.360 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 110 57.430 -10.826 5.548 1.00 0.00 H new ATOM 305 N TYR A 111 57.908 -8.842 3.043 1.00 0.00 N ATOM 306 CA TYR A 111 58.914 -8.085 2.303 1.00 0.00 C ATOM 307 C TYR A 111 58.268 -7.295 1.169 1.00 0.00 C ATOM 308 O TYR A 111 57.537 -7.846 0.347 1.00 0.00 O ATOM 309 CB TYR A 111 59.967 -9.025 1.712 1.00 0.00 C ATOM 310 CG TYR A 111 60.542 -9.894 2.805 1.00 0.00 C ATOM 311 CD1 TYR A 111 61.598 -9.422 3.594 1.00 0.00 C ATOM 312 CD2 TYR A 111 60.022 -11.175 3.027 1.00 0.00 C ATOM 313 CE1 TYR A 111 62.132 -10.228 4.605 1.00 0.00 C ATOM 314 CE2 TYR A 111 60.556 -11.982 4.038 1.00 0.00 C ATOM 315 CZ TYR A 111 61.611 -11.509 4.828 1.00 0.00 C ATOM 316 OH TYR A 111 62.137 -12.304 5.825 1.00 0.00 O ATOM 0 H TYR A 111 57.055 -9.045 2.522 1.00 0.00 H new ATOM 0 HA TYR A 111 59.389 -7.396 3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 111 59.520 -9.647 0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 111 60.760 -8.447 1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 111 62.001 -8.435 3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 111 59.209 -11.540 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 111 62.946 -9.863 5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 111 60.154 -12.970 4.209 1.00 0.00 H new ATOM 0 HH TYR A 111 61.661 -13.160 5.846 1.00 0.00 H new ATOM 326 N ILE A 112 58.554 -5.996 1.131 1.00 0.00 N ATOM 327 CA ILE A 112 58.000 -5.139 0.087 1.00 0.00 C ATOM 328 C ILE A 112 58.711 -5.398 -1.237 1.00 0.00 C ATOM 329 O ILE A 112 59.937 -5.322 -1.325 1.00 0.00 O ATOM 330 CB ILE A 112 58.159 -3.661 0.460 1.00 0.00 C ATOM 331 CG1 ILE A 112 57.649 -3.421 1.889 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.356 -2.800 -0.517 1.00 0.00 C ATOM 333 CD1 ILE A 112 56.371 -4.228 2.136 1.00 0.00 C ATOM 0 H ILE A 112 59.157 -5.519 1.801 1.00 0.00 H new ATOM 0 HA ILE A 112 56.940 -5.371 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 112 59.214 -3.392 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 112 58.415 -3.709 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 112 57.453 -2.359 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.468 -1.749 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.724 -2.961 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.303 -3.077 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.019 -4.050 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 112 55.603 -3.920 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 112 56.580 -5.290 2.005 1.00 0.00 H new ATOM 345 N ASP A 113 57.929 -5.710 -2.266 1.00 0.00 N ATOM 346 CA ASP A 113 58.496 -5.984 -3.584 1.00 0.00 C ATOM 347 C ASP A 113 58.023 -4.946 -4.595 1.00 0.00 C ATOM 348 O ASP A 113 56.920 -4.409 -4.489 1.00 0.00 O ATOM 349 CB ASP A 113 58.080 -7.375 -4.068 1.00 0.00 C ATOM 350 CG ASP A 113 56.671 -7.684 -3.576 1.00 0.00 C ATOM 351 OD1 ASP A 113 56.512 -7.886 -2.384 1.00 0.00 O ATOM 352 OD2 ASP A 113 55.771 -7.714 -4.399 1.00 0.00 O ATOM 0 H ASP A 113 56.913 -5.779 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 113 59.582 -5.939 -3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.114 -7.418 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.779 -8.125 -3.697 1.00 0.00 H new ATOM 357 N LEU A 114 58.874 -4.669 -5.579 1.00 0.00 N ATOM 358 CA LEU A 114 58.541 -3.692 -6.611 1.00 0.00 C ATOM 359 C LEU A 114 57.128 -3.928 -7.135 1.00 0.00 C ATOM 360 O LEU A 114 56.401 -2.985 -7.450 1.00 0.00 O ATOM 361 CB LEU A 114 59.527 -3.791 -7.776 1.00 0.00 C ATOM 362 CG LEU A 114 60.680 -2.811 -7.556 1.00 0.00 C ATOM 363 CD1 LEU A 114 61.577 -3.320 -6.426 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.501 -2.692 -8.842 1.00 0.00 C ATOM 0 H LEU A 114 59.791 -5.103 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 114 58.601 -2.699 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 114 59.911 -4.808 -7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 114 59.020 -3.567 -8.715 1.00 0.00 H new ATOM 0 HG LEU A 114 60.278 -1.834 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 114 62.398 -2.621 -6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 114 60.994 -3.405 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 114 61.979 -4.298 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 114 62.323 -1.993 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 114 61.902 -3.670 -9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.864 -2.328 -9.648 1.00 0.00 H new ATOM 376 N GLU A 115 56.750 -5.199 -7.226 1.00 0.00 N ATOM 377 CA GLU A 115 55.421 -5.557 -7.715 1.00 0.00 C ATOM 378 C GLU A 115 54.345 -4.777 -6.965 1.00 0.00 C ATOM 379 O GLU A 115 53.242 -4.570 -7.471 1.00 0.00 O ATOM 380 CB GLU A 115 55.169 -7.055 -7.532 1.00 0.00 C ATOM 381 CG GLU A 115 55.889 -7.833 -8.634 1.00 0.00 C ATOM 382 CD GLU A 115 55.928 -9.313 -8.270 1.00 0.00 C ATOM 383 OE1 GLU A 115 54.929 -9.981 -8.479 1.00 0.00 O ATOM 384 OE2 GLU A 115 56.957 -9.757 -7.787 1.00 0.00 O ATOM 0 H GLU A 115 57.338 -5.992 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 115 55.376 -5.307 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 115 55.525 -7.377 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.099 -7.261 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 115 55.376 -7.695 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 115 56.902 -7.452 -8.760 1.00 0.00 H new ATOM 391 N GLU A 116 54.677 -4.348 -5.751 1.00 0.00 N ATOM 392 CA GLU A 116 53.730 -3.593 -4.934 1.00 0.00 C ATOM 393 C GLU A 116 54.137 -2.125 -4.858 1.00 0.00 C ATOM 394 O GLU A 116 53.291 -1.231 -4.862 1.00 0.00 O ATOM 395 CB GLU A 116 53.668 -4.168 -3.518 1.00 0.00 C ATOM 396 CG GLU A 116 53.117 -5.594 -3.570 1.00 0.00 C ATOM 397 CD GLU A 116 53.458 -6.317 -2.272 1.00 0.00 C ATOM 398 OE1 GLU A 116 52.898 -5.954 -1.250 1.00 0.00 O ATOM 399 OE2 GLU A 116 54.274 -7.223 -2.318 1.00 0.00 O ATOM 0 H GLU A 116 55.585 -4.507 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 116 52.748 -3.671 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.662 -4.167 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.033 -3.544 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 116 52.037 -5.573 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 116 53.542 -6.129 -4.419 1.00 0.00 H new ATOM 406 N LEU A 117 55.444 -1.886 -4.786 1.00 0.00 N ATOM 407 CA LEU A 117 55.953 -0.519 -4.707 1.00 0.00 C ATOM 408 C LEU A 117 55.369 0.329 -5.831 1.00 0.00 C ATOM 409 O LEU A 117 54.729 1.352 -5.589 1.00 0.00 O ATOM 410 CB LEU A 117 57.479 -0.504 -4.816 1.00 0.00 C ATOM 411 CG LEU A 117 58.076 0.056 -3.524 1.00 0.00 C ATOM 412 CD1 LEU A 117 58.921 -1.022 -2.844 1.00 0.00 C ATOM 413 CD2 LEU A 117 58.958 1.264 -3.852 1.00 0.00 C ATOM 0 H LEU A 117 56.162 -2.610 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 117 55.656 -0.106 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 117 57.852 -1.513 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 117 57.788 0.105 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 117 57.272 0.363 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.347 -0.623 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.294 -1.883 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 117 59.725 -1.329 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 117 59.384 1.664 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 117 59.762 0.957 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 117 58.357 2.033 -4.337 1.00 0.00 H new ATOM 425 N LYS A 118 55.598 -0.110 -7.066 1.00 0.00 N ATOM 426 CA LYS A 118 55.091 0.614 -8.228 1.00 0.00 C ATOM 427 C LYS A 118 53.634 1.006 -8.013 1.00 0.00 C ATOM 428 O LYS A 118 53.283 2.185 -8.034 1.00 0.00 O ATOM 429 CB LYS A 118 55.196 -0.253 -9.485 1.00 0.00 C ATOM 430 CG LYS A 118 56.195 0.375 -10.459 1.00 0.00 C ATOM 431 CD LYS A 118 57.115 -0.712 -11.020 1.00 0.00 C ATOM 432 CE LYS A 118 58.377 -0.811 -10.160 1.00 0.00 C ATOM 433 NZ LYS A 118 57.992 -0.991 -8.732 1.00 0.00 N ATOM 0 H LYS A 118 56.126 -0.955 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 118 55.694 1.513 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 118 55.516 -1.260 -9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.219 -0.344 -9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 118 55.664 0.871 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 118 56.784 1.138 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.596 -1.670 -11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 118 57.383 -0.480 -12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.991 -1.649 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.980 0.090 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 58.843 -1.177 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 57.527 -0.128 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 57.337 -1.795 -8.648 1.00 0.00 H new ATOM 447 N ILE A 119 52.787 0.001 -7.804 1.00 0.00 N ATOM 448 CA ILE A 119 51.366 0.252 -7.583 1.00 0.00 C ATOM 449 C ILE A 119 51.182 1.384 -6.577 1.00 0.00 C ATOM 450 O ILE A 119 50.320 2.248 -6.743 1.00 0.00 O ATOM 451 CB ILE A 119 50.672 -1.005 -7.057 1.00 0.00 C ATOM 452 CG1 ILE A 119 50.627 -2.060 -8.166 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.246 -0.659 -6.626 1.00 0.00 C ATOM 454 CD1 ILE A 119 50.251 -3.417 -7.567 1.00 0.00 C ATOM 0 H ILE A 119 53.055 -0.983 -7.783 1.00 0.00 H new ATOM 0 HA ILE A 119 50.920 0.534 -8.537 1.00 0.00 H new ATOM 0 HB ILE A 119 51.224 -1.396 -6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 119 49.901 -1.773 -8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 119 51.597 -2.125 -8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 119 48.752 -1.555 -6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.276 0.095 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 119 48.692 -0.269 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 119 50.219 -4.167 -8.357 1.00 0.00 H new ATOM 0 HD12 ILE A 119 50.994 -3.705 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 119 49.272 -3.347 -7.094 1.00 0.00 H new ATOM 466 N MET A 120 52.008 1.372 -5.534 1.00 0.00 N ATOM 467 CA MET A 120 51.935 2.405 -4.506 1.00 0.00 C ATOM 468 C MET A 120 52.141 3.782 -5.129 1.00 0.00 C ATOM 469 O MET A 120 51.406 4.727 -4.843 1.00 0.00 O ATOM 470 CB MET A 120 53.006 2.174 -3.437 1.00 0.00 C ATOM 471 CG MET A 120 52.633 2.939 -2.166 1.00 0.00 C ATOM 472 SD MET A 120 51.569 1.905 -1.130 1.00 0.00 S ATOM 473 CE MET A 120 52.040 2.621 0.464 1.00 0.00 C ATOM 0 H MET A 120 52.728 0.666 -5.379 1.00 0.00 H new ATOM 0 HA MET A 120 50.949 2.356 -4.044 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.095 1.109 -3.220 1.00 0.00 H new ATOM 0 HB3 MET A 120 53.977 2.507 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 120 53.534 3.216 -1.618 1.00 0.00 H new ATOM 0 HG3 MET A 120 52.119 3.865 -2.424 1.00 0.00 H new ATOM 0 HE1 MET A 120 51.589 2.042 1.270 1.00 0.00 H new ATOM 0 HE2 MET A 120 53.125 2.601 0.566 1.00 0.00 H new ATOM 0 HE3 MET A 120 51.690 3.652 0.517 1.00 0.00 H new ATOM 483 N LEU A 121 53.151 3.881 -5.988 1.00 0.00 N ATOM 484 CA LEU A 121 53.453 5.144 -6.656 1.00 0.00 C ATOM 485 C LEU A 121 52.329 5.518 -7.617 1.00 0.00 C ATOM 486 O LEU A 121 51.723 6.584 -7.503 1.00 0.00 O ATOM 487 CB LEU A 121 54.764 5.034 -7.437 1.00 0.00 C ATOM 488 CG LEU A 121 55.892 4.636 -6.484 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.233 4.708 -7.216 1.00 0.00 C ATOM 490 CD2 LEU A 121 55.913 5.595 -5.292 1.00 0.00 C ATOM 0 H LEU A 121 53.770 3.109 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 121 53.550 5.916 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 121 54.666 4.294 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 121 54.996 5.986 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 121 55.725 3.618 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 121 58.035 4.424 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.220 4.026 -8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.400 5.725 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.717 5.312 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.078 6.612 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 121 54.959 5.544 -4.767 1.00 0.00 H new ATOM 502 N GLN A 122 52.056 4.626 -8.565 1.00 0.00 N ATOM 503 CA GLN A 122 51.000 4.866 -9.544 1.00 0.00 C ATOM 504 C GLN A 122 49.711 5.279 -8.843 1.00 0.00 C ATOM 505 O GLN A 122 48.842 5.919 -9.435 1.00 0.00 O ATOM 506 CB GLN A 122 50.738 3.606 -10.369 1.00 0.00 C ATOM 507 CG GLN A 122 51.361 3.766 -11.757 1.00 0.00 C ATOM 508 CD GLN A 122 51.730 2.394 -12.311 1.00 0.00 C ATOM 509 OE1 GLN A 122 50.860 1.635 -12.739 1.00 0.00 O ATOM 510 NE2 GLN A 122 52.982 2.027 -12.329 1.00 0.00 N ATOM 0 H GLN A 122 52.546 3.738 -8.676 1.00 0.00 H new ATOM 0 HA GLN A 122 51.328 5.668 -10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 122 51.161 2.736 -9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 122 49.665 3.433 -10.458 1.00 0.00 H new ATOM 0 HG2 GLN A 122 50.660 4.264 -12.427 1.00 0.00 H new ATOM 0 HG3 GLN A 122 52.248 4.397 -11.698 1.00 0.00 H new ATOM 0 HE21 GLN A 122 53.703 2.656 -11.975 1.00 0.00 H new ATOM 0 HE22 GLN A 122 53.240 1.112 -12.698 1.00 0.00 H new ATOM 519 N ALA A 123 49.599 4.904 -7.572 1.00 0.00 N ATOM 520 CA ALA A 123 48.412 5.239 -6.791 1.00 0.00 C ATOM 521 C ALA A 123 48.492 6.678 -6.292 1.00 0.00 C ATOM 522 O ALA A 123 47.474 7.345 -6.109 1.00 0.00 O ATOM 523 CB ALA A 123 48.279 4.302 -5.588 1.00 0.00 C ATOM 0 H ALA A 123 50.307 4.374 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 123 47.542 5.125 -7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.389 4.567 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.194 3.273 -5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 123 49.159 4.399 -4.952 1.00 0.00 H new ATOM 529 N THR A 124 49.718 7.147 -6.072 1.00 0.00 N ATOM 530 CA THR A 124 49.927 8.510 -5.590 1.00 0.00 C ATOM 531 C THR A 124 50.001 9.487 -6.760 1.00 0.00 C ATOM 532 O THR A 124 50.917 10.305 -6.846 1.00 0.00 O ATOM 533 CB THR A 124 51.225 8.599 -4.785 1.00 0.00 C ATOM 534 OG1 THR A 124 52.333 8.466 -5.664 1.00 0.00 O ATOM 535 CG2 THR A 124 51.261 7.481 -3.742 1.00 0.00 C ATOM 0 H THR A 124 50.573 6.610 -6.218 1.00 0.00 H new ATOM 0 HA THR A 124 49.083 8.773 -4.952 1.00 0.00 H new ATOM 0 HB THR A 124 51.274 9.563 -4.279 1.00 0.00 H new ATOM 0 HG1 THR A 124 52.181 7.711 -6.270 1.00 0.00 H new ATOM 0 HG21 THR A 124 52.187 7.547 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 124 50.410 7.584 -3.069 1.00 0.00 H new ATOM 0 HG23 THR A 124 51.212 6.514 -4.243 1.00 0.00 H new ATOM 543 N GLY A 125 49.025 9.393 -7.658 1.00 0.00 N ATOM 544 CA GLY A 125 48.985 10.277 -8.821 1.00 0.00 C ATOM 545 C GLY A 125 49.975 9.819 -9.889 1.00 0.00 C ATOM 546 O GLY A 125 50.225 10.525 -10.866 1.00 0.00 O ATOM 0 H GLY A 125 48.259 8.722 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 125 47.977 10.292 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 125 49.219 11.297 -8.516 1.00 0.00 H new ATOM 550 N GLU A 126 50.533 8.628 -9.693 1.00 0.00 N ATOM 551 CA GLU A 126 51.495 8.081 -10.647 1.00 0.00 C ATOM 552 C GLU A 126 52.427 9.179 -11.159 1.00 0.00 C ATOM 553 O GLU A 126 52.761 10.111 -10.427 1.00 0.00 O ATOM 554 CB GLU A 126 50.764 7.426 -11.824 1.00 0.00 C ATOM 555 CG GLU A 126 50.072 8.499 -12.669 1.00 0.00 C ATOM 556 CD GLU A 126 50.009 8.040 -14.121 1.00 0.00 C ATOM 557 OE1 GLU A 126 51.053 7.720 -14.667 1.00 0.00 O ATOM 558 OE2 GLU A 126 48.919 8.014 -14.667 1.00 0.00 O ATOM 0 H GLU A 126 50.339 8.028 -8.891 1.00 0.00 H new ATOM 0 HA GLU A 126 52.092 7.326 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 126 51.471 6.868 -12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 126 50.029 6.711 -11.455 1.00 0.00 H new ATOM 0 HG2 GLU A 126 49.066 8.683 -12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 126 50.616 9.441 -12.597 1.00 0.00 H new ATOM 565 N THR A 127 52.855 9.057 -12.416 1.00 0.00 N ATOM 566 CA THR A 127 53.760 10.040 -13.004 1.00 0.00 C ATOM 567 C THR A 127 55.158 9.866 -12.424 1.00 0.00 C ATOM 568 O THR A 127 55.879 10.836 -12.190 1.00 0.00 O ATOM 569 CB THR A 127 53.270 11.463 -12.724 1.00 0.00 C ATOM 570 OG1 THR A 127 51.911 11.579 -13.118 1.00 0.00 O ATOM 571 CG2 THR A 127 54.118 12.462 -13.513 1.00 0.00 C ATOM 0 H THR A 127 52.592 8.294 -13.040 1.00 0.00 H new ATOM 0 HA THR A 127 53.785 9.882 -14.082 1.00 0.00 H new ATOM 0 HB THR A 127 53.360 11.675 -11.659 1.00 0.00 H new ATOM 0 HG1 THR A 127 51.331 11.393 -12.350 1.00 0.00 H new ATOM 0 HG21 THR A 127 53.768 13.475 -13.313 1.00 0.00 H new ATOM 0 HG22 THR A 127 55.161 12.372 -13.211 1.00 0.00 H new ATOM 0 HG23 THR A 127 54.030 12.252 -14.579 1.00 0.00 H new ATOM 579 N ILE A 128 55.527 8.609 -12.192 1.00 0.00 N ATOM 580 CA ILE A 128 56.839 8.296 -11.633 1.00 0.00 C ATOM 581 C ILE A 128 57.632 7.415 -12.593 1.00 0.00 C ATOM 582 O ILE A 128 57.073 6.558 -13.278 1.00 0.00 O ATOM 583 CB ILE A 128 56.691 7.562 -10.300 1.00 0.00 C ATOM 584 CG1 ILE A 128 55.914 8.442 -9.315 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.077 7.254 -9.730 1.00 0.00 C ATOM 586 CD1 ILE A 128 56.809 9.583 -8.827 1.00 0.00 C ATOM 0 H ILE A 128 54.941 7.796 -12.381 1.00 0.00 H new ATOM 0 HA ILE A 128 57.369 9.236 -11.477 1.00 0.00 H new ATOM 0 HB ILE A 128 56.149 6.629 -10.457 1.00 0.00 H new ATOM 0 HG12 ILE A 128 55.024 8.846 -9.797 1.00 0.00 H new ATOM 0 HG13 ILE A 128 55.575 7.845 -8.468 1.00 0.00 H new ATOM 0 HG21 ILE A 128 57.972 6.731 -8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.627 6.626 -10.431 1.00 0.00 H new ATOM 0 HG23 ILE A 128 58.621 8.185 -9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 128 56.254 10.207 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.686 9.170 -8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 128 57.126 10.186 -9.678 1.00 0.00 H new ATOM 598 N THR A 129 58.942 7.632 -12.628 1.00 0.00 N ATOM 599 CA THR A 129 59.809 6.848 -13.502 1.00 0.00 C ATOM 600 C THR A 129 60.409 5.676 -12.733 1.00 0.00 C ATOM 601 O THR A 129 60.098 5.460 -11.562 1.00 0.00 O ATOM 602 CB THR A 129 60.942 7.718 -14.053 1.00 0.00 C ATOM 603 OG1 THR A 129 60.679 9.081 -13.752 1.00 0.00 O ATOM 604 CG2 THR A 129 61.035 7.537 -15.569 1.00 0.00 C ATOM 0 H THR A 129 59.424 8.336 -12.068 1.00 0.00 H new ATOM 0 HA THR A 129 59.208 6.473 -14.330 1.00 0.00 H new ATOM 0 HB THR A 129 61.885 7.420 -13.595 1.00 0.00 H new ATOM 0 HG1 THR A 129 61.404 9.639 -14.103 1.00 0.00 H new ATOM 0 HG21 THR A 129 61.842 8.157 -15.961 1.00 0.00 H new ATOM 0 HG22 THR A 129 61.237 6.491 -15.799 1.00 0.00 H new ATOM 0 HG23 THR A 129 60.093 7.834 -16.029 1.00 0.00 H new ATOM 612 N GLU A 130 61.274 4.920 -13.404 1.00 0.00 N ATOM 613 CA GLU A 130 61.912 3.768 -12.770 1.00 0.00 C ATOM 614 C GLU A 130 62.963 4.228 -11.765 1.00 0.00 C ATOM 615 O GLU A 130 63.368 3.475 -10.879 1.00 0.00 O ATOM 616 CB GLU A 130 62.581 2.878 -13.819 1.00 0.00 C ATOM 617 CG GLU A 130 61.751 1.608 -14.013 1.00 0.00 C ATOM 618 CD GLU A 130 60.292 1.985 -14.246 1.00 0.00 C ATOM 619 OE1 GLU A 130 59.944 2.251 -15.385 1.00 0.00 O ATOM 620 OE2 GLU A 130 59.543 2.001 -13.283 1.00 0.00 O ATOM 0 H GLU A 130 61.547 5.080 -14.374 1.00 0.00 H new ATOM 0 HA GLU A 130 61.139 3.199 -12.254 1.00 0.00 H new ATOM 0 HB2 GLU A 130 62.670 3.415 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU A 130 63.591 2.620 -13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 130 62.131 1.039 -14.861 1.00 0.00 H new ATOM 0 HG3 GLU A 130 61.836 0.967 -13.135 1.00 0.00 H new ATOM 627 N ASP A 131 63.401 5.475 -11.913 1.00 0.00 N ATOM 628 CA ASP A 131 64.409 6.031 -11.013 1.00 0.00 C ATOM 629 C ASP A 131 63.873 6.096 -9.587 1.00 0.00 C ATOM 630 O ASP A 131 64.439 5.507 -8.666 1.00 0.00 O ATOM 631 CB ASP A 131 64.807 7.440 -11.456 1.00 0.00 C ATOM 632 CG ASP A 131 66.024 7.361 -12.370 1.00 0.00 C ATOM 633 OD1 ASP A 131 67.034 6.832 -11.936 1.00 0.00 O ATOM 634 OD2 ASP A 131 65.929 7.830 -13.492 1.00 0.00 O ATOM 0 H ASP A 131 63.079 6.115 -12.639 1.00 0.00 H new ATOM 0 HA ASP A 131 65.282 5.379 -11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 131 63.977 7.916 -11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 131 65.032 8.056 -10.586 1.00 0.00 H new ATOM 639 N ASP A 132 62.774 6.824 -9.415 1.00 0.00 N ATOM 640 CA ASP A 132 62.164 6.970 -8.097 1.00 0.00 C ATOM 641 C ASP A 132 62.087 5.621 -7.388 1.00 0.00 C ATOM 642 O ASP A 132 62.347 5.518 -6.189 1.00 0.00 O ATOM 643 CB ASP A 132 60.752 7.545 -8.221 1.00 0.00 C ATOM 644 CG ASP A 132 60.736 8.975 -7.694 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.003 9.154 -6.517 1.00 0.00 O ATOM 646 OD2 ASP A 132 60.456 9.870 -8.474 1.00 0.00 O ATOM 0 H ASP A 132 62.291 7.319 -10.165 1.00 0.00 H new ATOM 0 HA ASP A 132 62.786 7.651 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.431 7.527 -9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.048 6.931 -7.659 1.00 0.00 H new ATOM 651 N ILE A 133 61.720 4.589 -8.142 1.00 0.00 N ATOM 652 CA ILE A 133 61.604 3.248 -7.576 1.00 0.00 C ATOM 653 C ILE A 133 62.978 2.694 -7.210 1.00 0.00 C ATOM 654 O ILE A 133 63.359 2.660 -6.040 1.00 0.00 O ATOM 655 CB ILE A 133 60.936 2.301 -8.575 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.498 2.758 -8.825 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.926 0.880 -8.007 1.00 0.00 C ATOM 658 CD1 ILE A 133 59.239 2.830 -10.331 1.00 0.00 C ATOM 0 H ILE A 133 61.500 4.653 -9.136 1.00 0.00 H new ATOM 0 HA ILE A 133 60.993 3.319 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 133 61.492 2.313 -9.513 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.799 2.065 -8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.331 3.734 -8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 133 60.450 0.207 -8.720 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.950 0.553 -7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 133 60.371 0.867 -7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 133 58.214 3.156 -10.509 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.930 3.541 -10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 133 59.389 1.845 -10.773 1.00 0.00 H new ATOM 670 N GLU A 134 63.712 2.253 -8.227 1.00 0.00 N ATOM 671 CA GLU A 134 65.042 1.691 -8.010 1.00 0.00 C ATOM 672 C GLU A 134 65.869 2.585 -7.092 1.00 0.00 C ATOM 673 O GLU A 134 66.534 2.106 -6.173 1.00 0.00 O ATOM 674 CB GLU A 134 65.777 1.531 -9.341 1.00 0.00 C ATOM 675 CG GLU A 134 65.612 0.095 -9.842 1.00 0.00 C ATOM 676 CD GLU A 134 64.394 0.011 -10.754 1.00 0.00 C ATOM 677 OE1 GLU A 134 64.166 0.954 -11.495 1.00 0.00 O ATOM 678 OE2 GLU A 134 63.704 -0.994 -10.698 1.00 0.00 O ATOM 0 H GLU A 134 63.412 2.273 -9.202 1.00 0.00 H new ATOM 0 HA GLU A 134 64.916 0.716 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 134 65.380 2.232 -10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.834 1.765 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 134 66.506 -0.218 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 134 65.495 -0.585 -8.998 1.00 0.00 H new ATOM 685 N GLU A 135 65.825 3.889 -7.350 1.00 0.00 N ATOM 686 CA GLU A 135 66.580 4.840 -6.538 1.00 0.00 C ATOM 687 C GLU A 135 66.222 4.680 -5.065 1.00 0.00 C ATOM 688 O GLU A 135 67.054 4.288 -4.248 1.00 0.00 O ATOM 689 CB GLU A 135 66.281 6.277 -6.968 1.00 0.00 C ATOM 690 CG GLU A 135 66.974 7.247 -6.009 1.00 0.00 C ATOM 691 CD GLU A 135 66.965 8.649 -6.608 1.00 0.00 C ATOM 692 OE1 GLU A 135 65.894 9.112 -6.964 1.00 0.00 O ATOM 693 OE2 GLU A 135 68.028 9.239 -6.701 1.00 0.00 O ATOM 0 H GLU A 135 65.282 4.308 -8.105 1.00 0.00 H new ATOM 0 HA GLU A 135 67.641 4.634 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.630 6.444 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.205 6.453 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 135 66.464 7.249 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 135 67.999 6.925 -5.827 1.00 0.00 H new ATOM 700 N LEU A 136 64.971 4.987 -4.736 1.00 0.00 N ATOM 701 CA LEU A 136 64.510 4.872 -3.356 1.00 0.00 C ATOM 702 C LEU A 136 64.719 3.449 -2.851 1.00 0.00 C ATOM 703 O LEU A 136 65.016 3.227 -1.677 1.00 0.00 O ATOM 704 CB LEU A 136 63.027 5.227 -3.253 1.00 0.00 C ATOM 705 CG LEU A 136 62.749 5.869 -1.894 1.00 0.00 C ATOM 706 CD1 LEU A 136 61.507 6.756 -1.993 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.510 4.772 -0.854 1.00 0.00 C ATOM 0 H LEU A 136 64.266 5.313 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 136 65.087 5.567 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.750 5.912 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.418 4.331 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 136 63.605 6.475 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 136 61.309 7.214 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 136 61.675 7.536 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.651 6.151 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 136 62.312 5.227 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.654 4.167 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 136 63.394 4.139 -0.783 1.00 0.00 H new ATOM 719 N MET A 137 64.563 2.487 -3.757 1.00 0.00 N ATOM 720 CA MET A 137 64.739 1.083 -3.401 1.00 0.00 C ATOM 721 C MET A 137 66.188 0.816 -3.009 1.00 0.00 C ATOM 722 O MET A 137 66.494 -0.167 -2.334 1.00 0.00 O ATOM 723 CB MET A 137 64.365 0.182 -4.580 1.00 0.00 C ATOM 724 CG MET A 137 63.683 -1.084 -4.058 1.00 0.00 C ATOM 725 SD MET A 137 64.384 -2.533 -4.884 1.00 0.00 S ATOM 726 CE MET A 137 63.606 -3.790 -3.840 1.00 0.00 C ATOM 0 H MET A 137 64.318 2.652 -4.733 1.00 0.00 H new ATOM 0 HA MET A 137 64.086 0.862 -2.557 1.00 0.00 H new ATOM 0 HB2 MET A 137 63.699 0.713 -5.260 1.00 0.00 H new ATOM 0 HB3 MET A 137 65.257 -0.081 -5.148 1.00 0.00 H new ATOM 0 HG2 MET A 137 63.820 -1.165 -2.980 1.00 0.00 H new ATOM 0 HG3 MET A 137 62.609 -1.033 -4.240 1.00 0.00 H new ATOM 0 HE1 MET A 137 63.729 -4.771 -4.299 1.00 0.00 H new ATOM 0 HE2 MET A 137 64.076 -3.788 -2.856 1.00 0.00 H new ATOM 0 HE3 MET A 137 62.544 -3.569 -3.735 1.00 0.00 H new ATOM 736 N LYS A 138 67.076 1.708 -3.439 1.00 0.00 N ATOM 737 CA LYS A 138 68.495 1.569 -3.128 1.00 0.00 C ATOM 738 C LYS A 138 68.773 2.039 -1.704 1.00 0.00 C ATOM 739 O LYS A 138 69.783 1.679 -1.101 1.00 0.00 O ATOM 740 CB LYS A 138 69.339 2.398 -4.098 1.00 0.00 C ATOM 741 CG LYS A 138 70.189 1.466 -4.962 1.00 0.00 C ATOM 742 CD LYS A 138 69.276 0.517 -5.740 1.00 0.00 C ATOM 743 CE LYS A 138 70.112 -0.613 -6.344 1.00 0.00 C ATOM 744 NZ LYS A 138 70.868 -1.303 -5.261 1.00 0.00 N ATOM 0 H LYS A 138 66.841 2.528 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 138 68.761 0.516 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.692 3.007 -4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 138 69.981 3.083 -3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 138 70.799 2.049 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 138 70.874 0.896 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 138 68.513 0.106 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 138 68.756 1.061 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 138 69.465 -1.323 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 138 70.802 -0.213 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 70.996 -2.305 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 71.799 -0.853 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 70.338 -1.233 -4.369 1.00 0.00 H new ATOM 758 N ASP A 139 67.861 2.851 -1.177 1.00 0.00 N ATOM 759 CA ASP A 139 68.011 3.373 0.178 1.00 0.00 C ATOM 760 C ASP A 139 67.397 2.415 1.194 1.00 0.00 C ATOM 761 O ASP A 139 68.013 2.083 2.206 1.00 0.00 O ATOM 762 CB ASP A 139 67.327 4.736 0.302 1.00 0.00 C ATOM 763 CG ASP A 139 68.301 5.741 0.907 1.00 0.00 C ATOM 764 OD1 ASP A 139 68.575 5.632 2.090 1.00 0.00 O ATOM 765 OD2 ASP A 139 68.759 6.605 0.177 1.00 0.00 O ATOM 0 H ASP A 139 67.018 3.160 -1.662 1.00 0.00 H new ATOM 0 HA ASP A 139 69.077 3.479 0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 139 66.996 5.079 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 139 66.438 4.653 0.928 1.00 0.00 H new ATOM 770 N GLY A 140 66.173 1.979 0.913 1.00 0.00 N ATOM 771 CA GLY A 140 65.476 1.062 1.811 1.00 0.00 C ATOM 772 C GLY A 140 66.071 -0.341 1.736 1.00 0.00 C ATOM 773 O GLY A 140 65.709 -1.225 2.513 1.00 0.00 O ATOM 0 H GLY A 140 65.647 2.242 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 140 65.539 1.433 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.418 1.026 1.549 1.00 0.00 H new ATOM 777 N ASP A 141 66.989 -0.539 0.794 1.00 0.00 N ATOM 778 CA ASP A 141 67.624 -1.844 0.632 1.00 0.00 C ATOM 779 C ASP A 141 69.086 -1.785 1.063 1.00 0.00 C ATOM 780 O ASP A 141 69.985 -2.170 0.316 1.00 0.00 O ATOM 781 CB ASP A 141 67.553 -2.299 -0.827 1.00 0.00 C ATOM 782 CG ASP A 141 67.642 -3.820 -0.891 1.00 0.00 C ATOM 783 OD1 ASP A 141 67.149 -4.461 0.022 1.00 0.00 O ATOM 784 OD2 ASP A 141 68.201 -4.321 -1.852 1.00 0.00 O ATOM 0 H ASP A 141 67.307 0.176 0.140 1.00 0.00 H new ATOM 0 HA ASP A 141 67.089 -2.556 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.622 -1.959 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 141 68.367 -1.852 -1.398 1.00 0.00 H new ATOM 789 N LYS A 142 69.313 -1.297 2.280 1.00 0.00 N ATOM 790 CA LYS A 142 70.672 -1.190 2.804 1.00 0.00 C ATOM 791 C LYS A 142 71.360 -2.550 2.779 1.00 0.00 C ATOM 792 O LYS A 142 72.523 -2.667 2.394 1.00 0.00 O ATOM 793 CB LYS A 142 70.654 -0.669 4.243 1.00 0.00 C ATOM 794 CG LYS A 142 71.238 0.745 4.280 1.00 0.00 C ATOM 795 CD LYS A 142 72.744 0.669 4.539 1.00 0.00 C ATOM 796 CE LYS A 142 73.256 2.043 4.973 1.00 0.00 C ATOM 797 NZ LYS A 142 73.156 2.994 3.829 1.00 0.00 N ATOM 0 H LYS A 142 68.584 -0.973 2.915 1.00 0.00 H new ATOM 0 HA LYS A 142 71.221 -0.491 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.634 -0.663 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 142 71.233 -1.330 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 142 71.046 1.254 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 142 70.753 1.330 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 142 72.954 -0.070 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 142 73.263 0.344 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 142 72.673 2.410 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 142 74.290 1.968 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 73.626 3.887 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 73.617 2.581 2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 72.155 3.178 3.617 1.00 0.00 H new ATOM 811 N ASN A 143 70.626 -3.580 3.194 1.00 0.00 N ATOM 812 CA ASN A 143 71.174 -4.933 3.216 1.00 0.00 C ATOM 813 C ASN A 143 71.443 -5.422 1.795 1.00 0.00 C ATOM 814 O ASN A 143 72.151 -6.406 1.585 1.00 0.00 O ATOM 815 CB ASN A 143 70.208 -5.897 3.916 1.00 0.00 C ATOM 816 CG ASN A 143 69.073 -6.290 2.971 1.00 0.00 C ATOM 817 OD1 ASN A 143 68.637 -7.441 2.964 1.00 0.00 O ATOM 818 ND2 ASN A 143 68.566 -5.397 2.165 1.00 0.00 N ATOM 0 H ASN A 143 69.661 -3.505 3.516 1.00 0.00 H new ATOM 0 HA ASN A 143 72.112 -4.908 3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 143 70.745 -6.788 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 143 69.799 -5.427 4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 143 67.810 -5.654 1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 143 68.926 -4.443 2.170 1.00 0.00 H new ATOM 825 N ASN A 144 70.870 -4.719 0.821 1.00 0.00 N ATOM 826 CA ASN A 144 71.055 -5.085 -0.580 1.00 0.00 C ATOM 827 C ASN A 144 70.638 -6.533 -0.816 1.00 0.00 C ATOM 828 O ASN A 144 71.456 -7.379 -1.178 1.00 0.00 O ATOM 829 CB ASN A 144 72.520 -4.917 -0.988 1.00 0.00 C ATOM 830 CG ASN A 144 72.631 -4.939 -2.508 1.00 0.00 C ATOM 831 OD1 ASN A 144 73.147 -3.912 -3.129 1.00 0.00 O flip ATOM 832 ND2 ASN A 144 72.239 -5.913 -3.151 1.00 0.00 N flip ATOM 0 H ASN A 144 70.280 -3.901 0.974 1.00 0.00 H new ATOM 0 HA ASN A 144 70.431 -4.426 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.912 -3.978 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 144 73.122 -5.717 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 144 71.836 -6.715 -2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 144 72.317 -5.918 -4.168 1.00 0.00 H new ATOM 839 N ASP A 145 69.354 -6.809 -0.608 1.00 0.00 N ATOM 840 CA ASP A 145 68.834 -8.160 -0.802 1.00 0.00 C ATOM 841 C ASP A 145 67.787 -8.174 -1.913 1.00 0.00 C ATOM 842 O ASP A 145 67.430 -9.229 -2.437 1.00 0.00 O ATOM 843 CB ASP A 145 68.201 -8.683 0.489 1.00 0.00 C ATOM 844 CG ASP A 145 69.273 -9.345 1.348 1.00 0.00 C ATOM 845 OD1 ASP A 145 70.324 -8.748 1.514 1.00 0.00 O ATOM 846 OD2 ASP A 145 69.027 -10.439 1.829 1.00 0.00 O ATOM 0 H ASP A 145 68.660 -6.124 -0.308 1.00 0.00 H new ATOM 0 HA ASP A 145 69.668 -8.804 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.736 -7.863 1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 145 67.413 -9.399 0.256 1.00 0.00 H new ATOM 851 N GLY A 146 67.303 -6.986 -2.267 1.00 0.00 N ATOM 852 CA GLY A 146 66.299 -6.866 -3.320 1.00 0.00 C ATOM 853 C GLY A 146 64.889 -6.894 -2.739 1.00 0.00 C ATOM 854 O GLY A 146 63.984 -7.511 -3.300 1.00 0.00 O ATOM 0 H GLY A 146 67.586 -6.102 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 146 66.452 -5.936 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 146 66.418 -7.680 -4.035 1.00 0.00 H new ATOM 858 N ARG A 147 64.710 -6.214 -1.609 1.00 0.00 N ATOM 859 CA ARG A 147 63.400 -6.167 -0.963 1.00 0.00 C ATOM 860 C ARG A 147 63.461 -5.345 0.321 1.00 0.00 C ATOM 861 O ARG A 147 64.483 -4.737 0.641 1.00 0.00 O ATOM 862 CB ARG A 147 62.919 -7.579 -0.625 1.00 0.00 C ATOM 863 CG ARG A 147 64.041 -8.345 0.079 1.00 0.00 C ATOM 864 CD ARG A 147 63.442 -9.490 0.897 1.00 0.00 C ATOM 865 NE ARG A 147 63.002 -10.572 0.021 1.00 0.00 N ATOM 866 CZ ARG A 147 63.868 -11.456 -0.465 1.00 0.00 C ATOM 867 NH1 ARG A 147 65.133 -11.372 -0.154 1.00 0.00 N ATOM 868 NH2 ARG A 147 63.453 -12.410 -1.253 1.00 0.00 N ATOM 0 H ARG A 147 65.444 -5.695 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 147 62.703 -5.700 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 147 62.039 -7.531 0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 147 62.623 -8.101 -1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 147 64.744 -8.738 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 147 64.602 -7.674 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 147 64.182 -9.865 1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 147 62.599 -9.123 1.483 1.00 0.00 H new ATOM 0 HE ARG A 147 62.015 -10.651 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 147 65.458 -10.627 0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 147 65.796 -12.051 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 147 62.465 -12.477 -1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 147 64.117 -13.088 -1.626 1.00 0.00 H new ATOM 882 N ILE A 148 62.350 -5.338 1.052 1.00 0.00 N ATOM 883 CA ILE A 148 62.271 -4.593 2.306 1.00 0.00 C ATOM 884 C ILE A 148 62.018 -5.548 3.468 1.00 0.00 C ATOM 885 O ILE A 148 61.237 -6.490 3.351 1.00 0.00 O ATOM 886 CB ILE A 148 61.137 -3.568 2.247 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.441 -2.537 1.156 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.010 -2.863 3.600 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.548 -1.595 1.632 1.00 0.00 C ATOM 0 H ILE A 148 61.496 -5.836 0.800 1.00 0.00 H new ATOM 0 HA ILE A 148 63.218 -4.075 2.456 1.00 0.00 H new ATOM 0 HB ILE A 148 60.200 -4.075 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.749 -3.042 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.542 -1.968 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 148 60.202 -2.133 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 148 60.793 -3.599 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 148 61.945 -2.355 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.762 -0.863 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.223 -1.080 2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.448 -2.171 1.846 1.00 0.00 H new ATOM 901 N ASP A 149 62.686 -5.298 4.590 1.00 0.00 N ATOM 902 CA ASP A 149 62.521 -6.151 5.765 1.00 0.00 C ATOM 903 C ASP A 149 62.094 -5.323 6.974 1.00 0.00 C ATOM 904 O ASP A 149 62.269 -4.105 7.003 1.00 0.00 O ATOM 905 CB ASP A 149 63.831 -6.870 6.093 1.00 0.00 C ATOM 906 CG ASP A 149 64.533 -7.267 4.799 1.00 0.00 C ATOM 907 OD1 ASP A 149 63.868 -7.310 3.777 1.00 0.00 O ATOM 908 OD2 ASP A 149 65.725 -7.523 4.850 1.00 0.00 O ATOM 0 H ASP A 149 63.338 -4.523 4.712 1.00 0.00 H new ATOM 0 HA ASP A 149 61.749 -6.886 5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.476 -6.220 6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 149 63.631 -7.755 6.697 1.00 0.00 H new ATOM 913 N TYR A 150 61.532 -6.000 7.973 1.00 0.00 N ATOM 914 CA TYR A 150 61.085 -5.316 9.184 1.00 0.00 C ATOM 915 C TYR A 150 62.216 -4.470 9.756 1.00 0.00 C ATOM 916 O TYR A 150 61.998 -3.359 10.240 1.00 0.00 O ATOM 917 CB TYR A 150 60.631 -6.327 10.239 1.00 0.00 C ATOM 918 CG TYR A 150 59.210 -6.023 10.650 1.00 0.00 C ATOM 919 CD1 TYR A 150 58.165 -6.183 9.731 1.00 0.00 C ATOM 920 CD2 TYR A 150 58.936 -5.580 11.950 1.00 0.00 C ATOM 921 CE1 TYR A 150 56.848 -5.902 10.112 1.00 0.00 C ATOM 922 CE2 TYR A 150 57.618 -5.298 12.330 1.00 0.00 C ATOM 923 CZ TYR A 150 56.574 -5.460 11.411 1.00 0.00 C ATOM 924 OH TYR A 150 55.275 -5.183 11.785 1.00 0.00 O ATOM 0 H TYR A 150 61.377 -7.008 7.969 1.00 0.00 H new ATOM 0 HA TYR A 150 60.244 -4.674 8.920 1.00 0.00 H new ATOM 0 HB2 TYR A 150 60.697 -7.339 9.840 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.289 -6.283 11.107 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.376 -6.523 8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 150 59.741 -5.456 12.659 1.00 0.00 H new ATOM 0 HE1 TYR A 150 56.043 -6.026 9.403 1.00 0.00 H new ATOM 0 HE2 TYR A 150 57.407 -4.955 13.332 1.00 0.00 H new ATOM 0 HH TYR A 150 54.893 -4.520 11.173 1.00 0.00 H new ATOM 934 N ASP A 151 63.432 -5.007 9.691 1.00 0.00 N ATOM 935 CA ASP A 151 64.598 -4.292 10.199 1.00 0.00 C ATOM 936 C ASP A 151 64.831 -3.024 9.384 1.00 0.00 C ATOM 937 O ASP A 151 64.612 -1.912 9.862 1.00 0.00 O ATOM 938 CB ASP A 151 65.845 -5.175 10.123 1.00 0.00 C ATOM 939 CG ASP A 151 66.008 -5.940 11.432 1.00 0.00 C ATOM 940 OD1 ASP A 151 65.086 -5.913 12.230 1.00 0.00 O ATOM 941 OD2 ASP A 151 67.054 -6.541 11.617 1.00 0.00 O ATOM 0 H ASP A 151 63.634 -5.925 9.296 1.00 0.00 H new ATOM 0 HA ASP A 151 64.410 -4.029 11.240 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.759 -5.873 9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.727 -4.562 9.936 1.00 0.00 H new ATOM 946 N GLU A 152 65.272 -3.206 8.142 1.00 0.00 N ATOM 947 CA GLU A 152 65.524 -2.071 7.263 1.00 0.00 C ATOM 948 C GLU A 152 64.295 -1.171 7.208 1.00 0.00 C ATOM 949 O GLU A 152 64.403 0.055 7.218 1.00 0.00 O ATOM 950 CB GLU A 152 65.855 -2.558 5.851 1.00 0.00 C ATOM 951 CG GLU A 152 67.246 -3.194 5.843 1.00 0.00 C ATOM 952 CD GLU A 152 67.446 -3.966 4.543 1.00 0.00 C ATOM 953 OE1 GLU A 152 66.832 -5.010 4.397 1.00 0.00 O ATOM 954 OE2 GLU A 152 68.211 -3.503 3.713 1.00 0.00 O ATOM 0 H GLU A 152 65.460 -4.118 7.726 1.00 0.00 H new ATOM 0 HA GLU A 152 66.370 -1.509 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 152 65.110 -3.282 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.821 -1.724 5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 152 68.010 -2.423 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 152 67.356 -3.863 6.696 1.00 0.00 H new ATOM 961 N PHE A 153 63.122 -1.798 7.159 1.00 0.00 N ATOM 962 CA PHE A 153 61.870 -1.050 7.112 1.00 0.00 C ATOM 963 C PHE A 153 61.719 -0.208 8.374 1.00 0.00 C ATOM 964 O PHE A 153 61.386 0.975 8.313 1.00 0.00 O ATOM 965 CB PHE A 153 60.681 -2.009 7.004 1.00 0.00 C ATOM 966 CG PHE A 153 59.405 -1.222 6.813 1.00 0.00 C ATOM 967 CD1 PHE A 153 59.064 -0.737 5.545 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.563 -0.981 7.904 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.880 -0.011 5.369 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.379 -0.254 7.728 1.00 0.00 C ATOM 971 CZ PHE A 153 57.038 0.231 6.461 1.00 0.00 C ATOM 0 H PHE A 153 63.013 -2.812 7.151 1.00 0.00 H new ATOM 0 HA PHE A 153 61.889 -0.400 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.827 -2.691 6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.611 -2.620 7.904 1.00 0.00 H new ATOM 0 HD1 PHE A 153 59.714 -0.923 4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 153 58.826 -1.356 8.882 1.00 0.00 H new ATOM 0 HE1 PHE A 153 57.616 0.362 4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.729 -0.068 8.570 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.125 0.792 6.325 1.00 0.00 H new ATOM 981 N LEU A 154 61.974 -0.833 9.520 1.00 0.00 N ATOM 982 CA LEU A 154 61.869 -0.135 10.799 1.00 0.00 C ATOM 983 C LEU A 154 62.825 1.053 10.835 1.00 0.00 C ATOM 984 O LEU A 154 62.587 2.040 11.531 1.00 0.00 O ATOM 985 CB LEU A 154 62.209 -1.079 11.955 1.00 0.00 C ATOM 986 CG LEU A 154 60.921 -1.640 12.557 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.262 -2.771 13.531 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.184 -0.528 13.307 1.00 0.00 C ATOM 0 H LEU A 154 62.252 -1.812 9.590 1.00 0.00 H new ATOM 0 HA LEU A 154 60.843 0.217 10.907 1.00 0.00 H new ATOM 0 HB2 LEU A 154 62.840 -1.893 11.599 1.00 0.00 H new ATOM 0 HB3 LEU A 154 62.776 -0.546 12.718 1.00 0.00 H new ATOM 0 HG LEU A 154 60.286 -2.026 11.760 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.343 -3.171 13.960 1.00 0.00 H new ATOM 0 HD12 LEU A 154 61.789 -3.563 12.999 1.00 0.00 H new ATOM 0 HD13 LEU A 154 61.897 -2.385 14.328 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.265 -0.926 13.737 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.820 -0.143 14.104 1.00 0.00 H new ATOM 0 HD23 LEU A 154 59.941 0.278 12.615 1.00 0.00 H new ATOM 1000 N GLU A 155 63.913 0.943 10.078 1.00 0.00 N ATOM 1001 CA GLU A 155 64.909 2.010 10.028 1.00 0.00 C ATOM 1002 C GLU A 155 64.484 3.095 9.043 1.00 0.00 C ATOM 1003 O GLU A 155 64.109 4.200 9.437 1.00 0.00 O ATOM 1004 CB GLU A 155 66.268 1.453 9.598 1.00 0.00 C ATOM 1005 CG GLU A 155 67.324 1.820 10.642 1.00 0.00 C ATOM 1006 CD GLU A 155 66.843 1.393 12.025 1.00 0.00 C ATOM 1007 OE1 GLU A 155 66.666 0.203 12.228 1.00 0.00 O ATOM 1008 OE2 GLU A 155 66.659 2.263 12.860 1.00 0.00 O ATOM 0 H GLU A 155 64.127 0.134 9.495 1.00 0.00 H new ATOM 0 HA GLU A 155 64.990 2.439 11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.211 0.370 9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.547 1.857 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 155 68.269 1.330 10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 155 67.509 2.894 10.625 1.00 0.00 H new ATOM 1015 N PHE A 156 64.553 2.768 7.755 1.00 0.00 N ATOM 1016 CA PHE A 156 64.178 3.722 6.715 1.00 0.00 C ATOM 1017 C PHE A 156 62.760 4.237 6.940 1.00 0.00 C ATOM 1018 O PHE A 156 62.432 5.369 6.584 1.00 0.00 O ATOM 1019 CB PHE A 156 64.256 3.069 5.334 1.00 0.00 C ATOM 1020 CG PHE A 156 64.210 4.138 4.269 1.00 0.00 C ATOM 1021 CD1 PHE A 156 65.300 4.999 4.096 1.00 0.00 C ATOM 1022 CD2 PHE A 156 63.079 4.268 3.454 1.00 0.00 C ATOM 1023 CE1 PHE A 156 65.260 5.990 3.109 1.00 0.00 C ATOM 1024 CE2 PHE A 156 63.039 5.260 2.467 1.00 0.00 C ATOM 1025 CZ PHE A 156 64.129 6.121 2.294 1.00 0.00 C ATOM 0 H PHE A 156 64.862 1.860 7.409 1.00 0.00 H new ATOM 0 HA PHE A 156 64.877 4.557 6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 156 65.176 2.491 5.245 1.00 0.00 H new ATOM 0 HB3 PHE A 156 63.428 2.373 5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 156 66.172 4.898 4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 156 62.238 3.603 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 156 66.101 6.654 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 156 62.166 5.361 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 156 64.098 6.886 1.532 1.00 0.00 H new ATOM 1035 N MET A 157 61.920 3.393 7.534 1.00 0.00 N ATOM 1036 CA MET A 157 60.536 3.777 7.801 1.00 0.00 C ATOM 1037 C MET A 157 60.372 4.195 9.259 1.00 0.00 C ATOM 1038 O MET A 157 59.494 3.701 9.966 1.00 0.00 O ATOM 1039 CB MET A 157 59.588 2.613 7.503 1.00 0.00 C ATOM 1040 CG MET A 157 58.266 3.154 6.957 1.00 0.00 C ATOM 1041 SD MET A 157 58.262 3.031 5.151 1.00 0.00 S ATOM 1042 CE MET A 157 57.674 4.708 4.810 1.00 0.00 C ATOM 0 H MET A 157 62.168 2.451 7.836 1.00 0.00 H new ATOM 0 HA MET A 157 60.289 4.617 7.152 1.00 0.00 H new ATOM 0 HB2 MET A 157 60.043 1.937 6.779 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.409 2.035 8.410 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.431 2.590 7.372 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.132 4.192 7.262 1.00 0.00 H new ATOM 0 HE1 MET A 157 56.744 4.659 4.243 1.00 0.00 H new ATOM 0 HE2 MET A 157 57.499 5.230 5.750 1.00 0.00 H new ATOM 0 HE3 MET A 157 58.424 5.246 4.230 1.00 0.00 H new ATOM 1052 N LYS A 158 61.228 5.113 9.699 1.00 0.00 N ATOM 1053 CA LYS A 158 61.172 5.595 11.076 1.00 0.00 C ATOM 1054 C LYS A 158 59.917 6.435 11.290 1.00 0.00 C ATOM 1055 O LYS A 158 59.982 7.660 11.395 1.00 0.00 O ATOM 1056 CB LYS A 158 62.403 6.447 11.395 1.00 0.00 C ATOM 1057 CG LYS A 158 62.885 6.139 12.814 1.00 0.00 C ATOM 1058 CD LYS A 158 64.394 6.372 12.901 1.00 0.00 C ATOM 1059 CE LYS A 158 64.967 5.583 14.079 1.00 0.00 C ATOM 1060 NZ LYS A 158 65.946 6.431 14.814 1.00 0.00 N ATOM 0 H LYS A 158 61.961 5.535 9.129 1.00 0.00 H new ATOM 0 HA LYS A 158 61.150 4.729 11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 158 63.197 6.240 10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.159 7.505 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 158 62.366 6.774 13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 158 62.650 5.107 13.074 1.00 0.00 H new ATOM 0 HD2 LYS A 158 64.874 6.061 11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 158 64.602 7.435 13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 158 64.164 5.273 14.748 1.00 0.00 H new ATOM 0 HE3 LYS A 158 65.453 4.675 13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 66.336 5.895 15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 66.717 6.706 14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 65.469 7.285 15.168 1.00 0.00 H new ATOM 1074 N GLY A 159 58.771 5.761 11.350 1.00 0.00 N ATOM 1075 CA GLY A 159 57.501 6.453 11.548 1.00 0.00 C ATOM 1076 C GLY A 159 57.265 7.468 10.435 1.00 0.00 C ATOM 1077 O GLY A 159 57.117 8.664 10.686 1.00 0.00 O ATOM 0 H GLY A 159 58.696 4.747 11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 159 56.686 5.730 11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 159 57.502 6.958 12.514 1.00 0.00 H new ATOM 1081 N VAL A 160 57.235 6.976 9.200 1.00 0.00 N ATOM 1082 CA VAL A 160 57.021 7.848 8.049 1.00 0.00 C ATOM 1083 C VAL A 160 55.766 7.433 7.289 1.00 0.00 C ATOM 1084 O VAL A 160 55.569 6.258 6.980 1.00 0.00 O ATOM 1085 CB VAL A 160 58.220 7.786 7.101 1.00 0.00 C ATOM 1086 CG1 VAL A 160 58.097 8.885 6.044 1.00 0.00 C ATOM 1087 CG2 VAL A 160 59.511 7.992 7.898 1.00 0.00 C ATOM 0 H VAL A 160 57.355 5.989 8.971 1.00 0.00 H new ATOM 0 HA VAL A 160 56.901 8.867 8.418 1.00 0.00 H new ATOM 0 HB VAL A 160 58.243 6.812 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 160 58.952 8.839 5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 160 57.178 8.741 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 160 58.073 9.859 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 160 60.366 7.948 7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 160 59.485 8.965 8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 160 59.602 7.209 8.651 1.00 0.00 H new ATOM 1097 N GLU A 161 54.919 8.415 6.991 1.00 0.00 N ATOM 1098 CA GLU A 161 53.681 8.147 6.265 1.00 0.00 C ATOM 1099 C GLU A 161 53.698 8.844 4.909 1.00 0.00 C ATOM 1100 O GLU A 161 54.756 8.898 4.306 1.00 0.00 O ATOM 1101 CB GLU A 161 52.473 8.641 7.065 1.00 0.00 C ATOM 1102 CG GLU A 161 51.792 7.453 7.746 1.00 0.00 C ATOM 1103 CD GLU A 161 50.332 7.386 7.311 1.00 0.00 C ATOM 1104 OE1 GLU A 161 49.802 8.414 6.923 1.00 0.00 O ATOM 1105 OE2 GLU A 161 49.766 6.307 7.372 1.00 0.00 O ATOM 1106 OXT GLU A 161 52.651 9.314 4.494 1.00 0.00 O ATOM 0 H GLU A 161 55.065 9.394 7.238 1.00 0.00 H new ATOM 0 HA GLU A 161 53.603 7.070 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 161 52.791 9.369 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 161 51.769 9.148 6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 161 52.304 6.527 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 161 51.855 7.556 8.829 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 55.248 -6.559 -0.206 1.00 0.00 CA HETATM 1115 CA CA A 3 66.339 -4.135 2.379 1.00 0.00 CA HETATM 1116 S1 EMD A 1 61.858 1.508 1.273 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.520 1.205 -0.351 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.632 0.691 -0.479 1.00 0.00 O HETATM 1119 N3 EMD A 1 61.887 1.696 -1.410 1.00 0.00 N HETATM 1120 N4 EMD A 1 60.711 2.415 -1.358 1.00 0.00 N HETATM 1121 C5 EMD A 1 59.905 2.721 -0.398 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.175 2.109 0.993 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.215 0.944 1.245 1.00 0.00 C HETATM 1124 C8 EMD A 1 58.920 3.931 -0.578 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.133 4.359 0.502 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.253 5.444 0.350 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.169 6.092 -0.906 1.00 0.00 C HETATM 1128 C12 EMD A 1 57.956 5.660 -1.981 1.00 0.00 C HETATM 1129 C13 EMD A 1 58.832 4.580 -1.816 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.204 7.261 -1.060 1.00 0.00 N HETATM 1131 C15 EMD A 1 55.668 7.932 0.199 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.201 7.425 1.524 1.00 0.00 C HETATM 1133 C17 EMD A 1 56.398 5.892 1.545 1.00 0.00 C HETATM 1134 C18 EMD A 1 55.787 7.747 -2.296 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.184 7.248 -3.347 1.00 0.00 O HETATM 1136 C19 EMD A 1 54.817 8.925 -2.408 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.186 10.071 -3.123 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.288 11.144 -3.240 1.00 0.00 C HETATM 1139 O21 EMD A 1 54.702 12.269 -3.964 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.037 11.070 -2.649 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.109 12.114 -2.740 1.00 0.00 O HETATM 1142 C23 EMD A 1 52.663 9.924 -1.932 1.00 0.00 C HETATM 1143 C24 EMD A 1 53.553 8.850 -1.811 1.00 0.00 C HETATM 1144 C25 EMD A 1 55.592 12.231 -5.108 1.00 0.00 C HETATM 1145 C26 EMD A 1 50.742 12.038 -2.264 1.00 0.00 C HETATM 0 H263 EMD A 1 50.220 11.235 -2.784 1.00 0.00 H new HETATM 0 H262 EMD A 1 50.740 11.837 -1.193 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.237 12.984 -2.456 1.00 0.00 H new HETATM 0 H253 EMD A 1 56.549 11.801 -4.811 1.00 0.00 H new HETATM 0 H252 EMD A 1 55.148 11.620 -5.894 1.00 0.00 H new HETATM 0 H251 EMD A 1 55.749 13.243 -5.481 1.00 0.00 H new HETATM 0 H172 EMD A 1 55.429 5.394 1.513 1.00 0.00 H new HETATM 0 H171 EMD A 1 56.879 5.594 2.476 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.153 7.912 1.737 1.00 0.00 H new HETATM 0 H161 EMD A 1 55.512 7.709 2.320 1.00 0.00 H new HETATM 0 H152 EMD A 1 55.882 8.999 0.133 1.00 0.00 H new HETATM 0 H151 EMD A 1 54.583 7.824 0.206 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.204 3.848 1.462 1.00 0.00 H new HETATM 0 H73 EMD A 1 59.444 0.129 0.559 1.00 0.00 H new HETATM 0 H72 EMD A 1 59.326 0.596 2.272 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.189 1.276 1.084 1.00 0.00 H new HETATM 0 H6 EMD A 1 60.023 2.938 1.685 1.00 0.00 H new HETATM 0 H3 EMD A 1 62.300 1.530 -2.328 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.263 7.959 -1.254 1.00 0.00 H new HETATM 0 H23 EMD A 1 51.678 9.869 -1.468 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.170 10.130 -3.588 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.446 4.244 -2.652 1.00 0.00 H new HETATM 0 H12 EMD A 1 57.887 6.164 -2.945 1.00 0.00 H new