USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 523 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 28 TYR OH : rot -49:sc= 0.145 USER MOD Set 1.2: A 65 GLN : amide:sc= 0.142 X(o=0.57,f=0.33) USER MOD Set 1.3: A 70 SER OG : rot -93:sc= 0.285 USER MOD Set 2.1: A 1 MET N :NH3+ -128:sc= 0.116 (180deg=0) USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 11 MET CE :methyl 167:sc= -0.0056 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 150:sc= -0.287 (180deg=-1.06) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc=-0.00117 (180deg=-0.0827) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.109 F(o=-1.6,f=-0.11) USER MOD Single : A 30 SER OG : rot 180:sc= -0.326 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc=-2.26e-05 X(o=-2.3e-05,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -131:sc= -0.16 (180deg=-1.01) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.0295 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0368 USER MOD Single : A 54 THR OG1 : rot 69:sc= 0.451 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 58 MET CE :methyl -168:sc= -0.175 (180deg=-0.795) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 76 LYS NZ :NH3+ -132:sc= -0.169 (180deg=-0.731) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -1.49 F(o=-2.1,f=-1.5) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.811 1.107 -1.579 1.00 0.00 N ATOM 2 CA MET A 1 -12.322 1.320 -2.929 1.00 0.00 C ATOM 3 C MET A 1 -13.309 0.222 -3.315 1.00 0.00 C ATOM 4 O MET A 1 -13.630 -0.649 -2.508 1.00 0.00 O ATOM 5 CB MET A 1 -11.168 1.361 -3.933 1.00 0.00 C ATOM 6 CG MET A 1 -10.285 2.590 -3.793 1.00 0.00 C ATOM 7 SD MET A 1 -10.035 3.447 -5.359 1.00 0.00 S ATOM 8 CE MET A 1 -10.860 5.003 -5.030 1.00 0.00 C ATOM 0 H1 MET A 1 -11.933 1.976 -1.021 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.334 0.329 -1.128 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.801 0.864 -1.625 1.00 0.00 H new ATOM 0 HA MET A 1 -12.844 2.277 -2.947 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.556 0.468 -3.808 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.575 1.329 -4.944 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.735 3.276 -3.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.318 2.293 -3.387 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.791 5.644 -5.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.909 4.817 -4.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.383 5.496 -4.183 1.00 0.00 H new ATOM 16 N ALA A 2 -13.786 0.273 -4.555 1.00 0.00 N ATOM 17 CA ALA A 2 -14.735 -0.718 -5.048 1.00 0.00 C ATOM 18 C ALA A 2 -14.738 -0.764 -6.573 1.00 0.00 C ATOM 19 O ALA A 2 -13.913 -0.123 -7.224 1.00 0.00 O ATOM 20 CB ALA A 2 -16.132 -0.417 -4.525 1.00 0.00 C ATOM 0 H ALA A 2 -13.531 0.989 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.424 -1.696 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.830 -1.165 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.126 -0.442 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.442 0.572 -4.864 1.00 0.00 H new ATOM 26 N ARG A 3 -15.670 -1.526 -7.135 1.00 0.00 N ATOM 27 CA ARG A 3 -15.778 -1.656 -8.583 1.00 0.00 C ATOM 28 C ARG A 3 -14.396 -1.725 -9.228 1.00 0.00 C ATOM 29 O ARG A 3 -14.151 -1.102 -10.260 1.00 0.00 O ATOM 30 CB ARG A 3 -16.566 -0.482 -9.165 1.00 0.00 C ATOM 31 CG ARG A 3 -15.909 0.869 -8.931 1.00 0.00 C ATOM 32 CD ARG A 3 -16.637 1.979 -9.673 1.00 0.00 C ATOM 33 NE ARG A 3 -16.185 2.098 -11.056 1.00 0.00 N ATOM 34 CZ ARG A 3 -16.372 3.184 -11.799 1.00 0.00 C ATOM 35 NH1 ARG A 3 -16.997 4.238 -11.292 1.00 0.00 N ATOM 36 NH2 ARG A 3 -15.932 3.218 -13.050 1.00 0.00 N ATOM 0 H ARG A 3 -16.361 -2.062 -6.610 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.308 -2.583 -8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.691 -0.635 -10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.564 -0.472 -8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.898 1.090 -7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.870 0.831 -9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.709 1.783 -9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.478 2.926 -9.157 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.699 1.305 -11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.335 4.216 -10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.139 5.070 -11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.449 2.410 -13.443 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.076 4.052 -13.619 1.00 0.00 H new ATOM 47 N GLY A 4 -13.498 -2.486 -8.610 1.00 0.00 N ATOM 48 CA GLY A 4 -12.153 -2.621 -9.138 1.00 0.00 C ATOM 49 C GLY A 4 -11.092 -2.471 -8.065 1.00 0.00 C ATOM 50 O GLY A 4 -10.556 -1.382 -7.860 1.00 0.00 O ATOM 0 H GLY A 4 -13.678 -3.011 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.049 -3.596 -9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.992 -1.870 -9.911 1.00 0.00 H new ATOM 54 N SER A 5 -10.789 -3.568 -7.377 1.00 0.00 N ATOM 55 CA SER A 5 -9.789 -3.553 -6.315 1.00 0.00 C ATOM 56 C SER A 5 -9.607 -4.946 -5.722 1.00 0.00 C ATOM 57 O SER A 5 -10.193 -5.919 -6.197 1.00 0.00 O ATOM 58 CB SER A 5 -10.196 -2.568 -5.218 1.00 0.00 C ATOM 59 OG SER A 5 -11.520 -2.810 -4.778 1.00 0.00 O ATOM 0 H SER A 5 -11.222 -4.478 -7.536 1.00 0.00 H new ATOM 0 HA SER A 5 -8.840 -3.234 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.509 -2.653 -4.376 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.115 -1.548 -5.593 1.00 0.00 H new ATOM 0 HG SER A 5 -11.754 -2.168 -4.076 1.00 0.00 H new ATOM 64 N VAL A 6 -8.789 -5.034 -4.677 1.00 0.00 N ATOM 65 CA VAL A 6 -8.530 -6.307 -4.016 1.00 0.00 C ATOM 66 C VAL A 6 -9.831 -7.021 -3.666 1.00 0.00 C ATOM 67 O VAL A 6 -10.841 -6.383 -3.371 1.00 0.00 O ATOM 68 CB VAL A 6 -7.701 -6.114 -2.731 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.233 -5.908 -3.069 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.240 -4.944 -1.922 1.00 0.00 C ATOM 0 H VAL A 6 -8.295 -4.239 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.962 -6.918 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.786 -7.016 -2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.663 -5.773 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.857 -6.780 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.125 -5.023 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.644 -4.821 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.186 -4.033 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.277 -5.138 -1.649 1.00 0.00 H new ATOM 80 N SER A 7 -9.798 -8.349 -3.699 1.00 0.00 N ATOM 81 CA SER A 7 -10.976 -9.151 -3.388 1.00 0.00 C ATOM 82 C SER A 7 -11.457 -8.882 -1.966 1.00 0.00 C ATOM 83 O SER A 7 -10.802 -8.173 -1.201 1.00 0.00 O ATOM 84 CB SER A 7 -10.667 -10.640 -3.562 1.00 0.00 C ATOM 85 OG SER A 7 -11.628 -11.267 -4.394 1.00 0.00 O ATOM 0 H SER A 7 -8.969 -8.893 -3.938 1.00 0.00 H new ATOM 0 HA SER A 7 -11.769 -8.869 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.674 -10.760 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.652 -11.128 -2.587 1.00 0.00 H new ATOM 0 HG SER A 7 -11.407 -12.217 -4.491 1.00 0.00 H new ATOM 90 N ASP A 8 -12.603 -9.455 -1.618 1.00 0.00 N ATOM 91 CA ASP A 8 -13.172 -9.279 -0.286 1.00 0.00 C ATOM 92 C ASP A 8 -12.201 -9.759 0.788 1.00 0.00 C ATOM 93 O ASP A 8 -11.947 -9.057 1.766 1.00 0.00 O ATOM 94 CB ASP A 8 -14.496 -10.037 -0.170 1.00 0.00 C ATOM 95 CG ASP A 8 -15.698 -9.135 -0.367 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.281 -9.154 -1.471 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.057 -8.410 0.585 1.00 0.00 O ATOM 0 H ASP A 8 -13.157 -10.045 -2.239 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.356 -8.215 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.520 -10.836 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.556 -10.509 0.811 1.00 0.00 H new ATOM 101 N GLU A 9 -11.662 -10.959 0.597 1.00 0.00 N ATOM 102 CA GLU A 9 -10.720 -11.533 1.551 1.00 0.00 C ATOM 103 C GLU A 9 -9.581 -10.561 1.843 1.00 0.00 C ATOM 104 O GLU A 9 -9.383 -10.145 2.985 1.00 0.00 O ATOM 105 CB GLU A 9 -10.156 -12.850 1.014 1.00 0.00 C ATOM 106 CG GLU A 9 -10.882 -14.080 1.534 1.00 0.00 C ATOM 107 CD GLU A 9 -10.747 -15.272 0.606 1.00 0.00 C ATOM 108 OE1 GLU A 9 -11.113 -15.144 -0.581 1.00 0.00 O ATOM 109 OE2 GLU A 9 -10.277 -16.333 1.068 1.00 0.00 O ATOM 0 H GLU A 9 -11.861 -11.552 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.256 -11.727 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.208 -12.841 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.102 -12.920 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.488 -14.342 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.938 -13.845 1.667 1.00 0.00 H new ATOM 114 N GLU A 10 -8.835 -10.203 0.802 1.00 0.00 N ATOM 115 CA GLU A 10 -7.715 -9.280 0.948 1.00 0.00 C ATOM 116 C GLU A 10 -8.191 -7.921 1.453 1.00 0.00 C ATOM 117 O GLU A 10 -7.789 -7.469 2.525 1.00 0.00 O ATOM 118 CB GLU A 10 -6.985 -9.113 -0.387 1.00 0.00 C ATOM 119 CG GLU A 10 -5.534 -9.559 -0.347 1.00 0.00 C ATOM 120 CD GLU A 10 -5.289 -10.821 -1.153 1.00 0.00 C ATOM 121 OE1 GLU A 10 -5.494 -10.786 -2.385 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.893 -11.841 -0.553 1.00 0.00 O ATOM 0 H GLU A 10 -8.986 -10.537 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.026 -9.699 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.511 -9.684 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.026 -8.065 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.901 -8.759 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.239 -9.730 0.688 1.00 0.00 H new ATOM 127 N MET A 11 -9.050 -7.274 0.671 1.00 0.00 N ATOM 128 CA MET A 11 -9.581 -5.967 1.039 1.00 0.00 C ATOM 129 C MET A 11 -9.832 -5.885 2.542 1.00 0.00 C ATOM 130 O MET A 11 -9.526 -4.876 3.177 1.00 0.00 O ATOM 131 CB MET A 11 -10.879 -5.688 0.279 1.00 0.00 C ATOM 132 CG MET A 11 -11.379 -4.261 0.432 1.00 0.00 C ATOM 133 SD MET A 11 -10.081 -3.038 0.162 1.00 0.00 S ATOM 134 CE MET A 11 -10.775 -2.101 -1.196 1.00 0.00 C ATOM 0 H MET A 11 -9.392 -7.633 -0.220 1.00 0.00 H new ATOM 0 HA MET A 11 -8.841 -5.214 0.770 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.723 -5.898 -0.779 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.650 -6.374 0.630 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.190 -4.086 -0.275 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.794 -4.131 1.432 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.210 -1.178 -1.328 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.722 -2.692 -2.110 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.816 -1.861 -0.978 1.00 0.00 H new ATOM 142 N MET A 12 -10.389 -6.952 3.104 1.00 0.00 N ATOM 143 CA MET A 12 -10.678 -7.000 4.532 1.00 0.00 C ATOM 144 C MET A 12 -9.390 -7.037 5.347 1.00 0.00 C ATOM 145 O MET A 12 -9.227 -6.275 6.301 1.00 0.00 O ATOM 146 CB MET A 12 -11.537 -8.224 4.859 1.00 0.00 C ATOM 147 CG MET A 12 -13.029 -7.934 4.869 1.00 0.00 C ATOM 148 SD MET A 12 -13.930 -8.968 6.039 1.00 0.00 S ATOM 149 CE MET A 12 -13.220 -8.424 7.590 1.00 0.00 C ATOM 0 H MET A 12 -10.649 -7.795 2.592 1.00 0.00 H new ATOM 0 HA MET A 12 -11.228 -6.097 4.796 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.332 -9.007 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.244 -8.613 5.834 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.190 -6.885 5.119 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.432 -8.089 3.868 1.00 0.00 H new ATOM 0 HE1 MET A 12 -13.960 -8.524 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.349 -9.036 7.826 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.918 -7.380 7.506 1.00 0.00 H new ATOM 157 N GLU A 13 -8.478 -7.925 4.966 1.00 0.00 N ATOM 158 CA GLU A 13 -7.205 -8.060 5.664 1.00 0.00 C ATOM 159 C GLU A 13 -6.333 -6.826 5.448 1.00 0.00 C ATOM 160 O GLU A 13 -5.950 -6.148 6.402 1.00 0.00 O ATOM 161 CB GLU A 13 -6.465 -9.310 5.184 1.00 0.00 C ATOM 162 CG GLU A 13 -6.758 -10.548 6.015 1.00 0.00 C ATOM 163 CD GLU A 13 -6.357 -11.831 5.315 1.00 0.00 C ATOM 164 OE1 GLU A 13 -6.414 -11.868 4.068 1.00 0.00 O ATOM 165 OE2 GLU A 13 -5.987 -12.798 6.012 1.00 0.00 O ATOM 0 H GLU A 13 -8.597 -8.562 4.178 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.413 -8.156 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.736 -9.507 4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.393 -9.116 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.228 -10.477 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.823 -10.582 6.245 1.00 0.00 H new ATOM 170 N LEU A 14 -6.021 -6.542 4.188 1.00 0.00 N ATOM 171 CA LEU A 14 -5.195 -5.390 3.845 1.00 0.00 C ATOM 172 C LEU A 14 -5.667 -4.142 4.584 1.00 0.00 C ATOM 173 O LEU A 14 -4.864 -3.409 5.162 1.00 0.00 O ATOM 174 CB LEU A 14 -5.225 -5.147 2.335 1.00 0.00 C ATOM 175 CG LEU A 14 -5.197 -6.395 1.453 1.00 0.00 C ATOM 176 CD1 LEU A 14 -5.035 -6.012 -0.010 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.077 -7.329 1.887 1.00 0.00 C ATOM 0 H LEU A 14 -6.328 -7.094 3.387 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.171 -5.604 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.124 -4.578 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.373 -4.521 2.071 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.146 -6.918 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.017 -6.914 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.870 -5.382 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.101 -5.465 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.072 -8.212 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.120 -6.814 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.236 -7.631 2.922 1.00 0.00 H new ATOM 188 N ARG A 15 -6.974 -3.907 4.560 1.00 0.00 N ATOM 189 CA ARG A 15 -7.554 -2.746 5.227 1.00 0.00 C ATOM 190 C ARG A 15 -7.303 -2.804 6.731 1.00 0.00 C ATOM 191 O ARG A 15 -6.884 -1.818 7.338 1.00 0.00 O ATOM 192 CB ARG A 15 -9.057 -2.672 4.952 1.00 0.00 C ATOM 193 CG ARG A 15 -9.788 -1.670 5.832 1.00 0.00 C ATOM 194 CD ARG A 15 -10.905 -2.333 6.622 1.00 0.00 C ATOM 195 NE ARG A 15 -10.744 -2.145 8.061 1.00 0.00 N ATOM 196 CZ ARG A 15 -10.934 -0.984 8.677 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.292 0.087 7.983 1.00 0.00 N ATOM 198 NH2 ARG A 15 -10.767 -0.894 9.990 1.00 0.00 N ATOM 0 H ARG A 15 -7.652 -4.504 4.086 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.075 -1.851 4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.214 -2.407 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.494 -3.660 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.082 -1.205 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.202 -0.874 5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.864 -1.922 6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.926 -3.399 6.396 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.470 -2.950 8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.422 0.021 6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.437 0.978 8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.493 -1.717 10.527 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.913 -0.002 10.463 1.00 0.00 H new ATOM 209 N GLU A 16 -7.566 -3.964 7.327 1.00 0.00 N ATOM 210 CA GLU A 16 -7.369 -4.148 8.759 1.00 0.00 C ATOM 211 C GLU A 16 -5.980 -3.678 9.184 1.00 0.00 C ATOM 212 O GLU A 16 -5.844 -2.784 10.019 1.00 0.00 O ATOM 213 CB GLU A 16 -7.560 -5.618 9.138 1.00 0.00 C ATOM 214 CG GLU A 16 -8.977 -5.957 9.568 1.00 0.00 C ATOM 215 CD GLU A 16 -9.239 -5.624 11.025 1.00 0.00 C ATOM 216 OE1 GLU A 16 -10.050 -4.711 11.288 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.635 -6.278 11.901 1.00 0.00 O ATOM 0 H GLU A 16 -7.916 -4.789 6.840 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.112 -3.546 9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.289 -6.242 8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.874 -5.868 9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.683 -5.412 8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.159 -7.019 9.403 1.00 0.00 H new ATOM 222 N ALA A 17 -4.952 -4.288 8.601 1.00 0.00 N ATOM 223 CA ALA A 17 -3.575 -3.932 8.917 1.00 0.00 C ATOM 224 C ALA A 17 -3.315 -2.452 8.650 1.00 0.00 C ATOM 225 O ALA A 17 -2.870 -1.721 9.534 1.00 0.00 O ATOM 226 CB ALA A 17 -2.611 -4.792 8.114 1.00 0.00 C ATOM 0 H ALA A 17 -5.048 -5.030 7.908 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.412 -4.117 9.979 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.586 -4.516 8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.772 -5.842 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.784 -4.635 7.049 1.00 0.00 H new ATOM 232 N PHE A 18 -3.596 -2.019 7.426 1.00 0.00 N ATOM 233 CA PHE A 18 -3.391 -0.627 7.042 1.00 0.00 C ATOM 234 C PHE A 18 -3.843 0.316 8.153 1.00 0.00 C ATOM 235 O PHE A 18 -3.073 1.154 8.622 1.00 0.00 O ATOM 236 CB PHE A 18 -4.152 -0.314 5.752 1.00 0.00 C ATOM 237 CG PHE A 18 -3.954 1.092 5.265 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.536 2.160 5.931 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.184 1.349 4.141 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.355 3.455 5.486 1.00 0.00 C ATOM 241 CE2 PHE A 18 -2.999 2.643 3.692 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.586 3.697 4.364 1.00 0.00 C ATOM 0 H PHE A 18 -3.966 -2.611 6.683 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.325 -0.477 6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.833 -1.008 4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.216 -0.487 5.916 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.138 1.977 6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.724 0.529 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.814 4.277 6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.396 2.830 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.444 4.709 4.013 1.00 0.00 H new ATOM 251 N ALA A 19 -5.097 0.171 8.571 1.00 0.00 N ATOM 252 CA ALA A 19 -5.651 1.008 9.627 1.00 0.00 C ATOM 253 C ALA A 19 -4.731 1.037 10.843 1.00 0.00 C ATOM 254 O ALA A 19 -4.457 2.101 11.403 1.00 0.00 O ATOM 255 CB ALA A 19 -7.035 0.513 10.021 1.00 0.00 C ATOM 0 H ALA A 19 -5.747 -0.518 8.194 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.736 2.025 9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.437 1.147 10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.695 0.550 9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.966 -0.514 10.380 1.00 0.00 H new ATOM 261 N LYS A 20 -4.257 -0.135 11.250 1.00 0.00 N ATOM 262 CA LYS A 20 -3.368 -0.245 12.400 1.00 0.00 C ATOM 263 C LYS A 20 -2.133 0.633 12.218 1.00 0.00 C ATOM 264 O LYS A 20 -1.528 1.081 13.192 1.00 0.00 O ATOM 265 CB LYS A 20 -2.944 -1.701 12.606 1.00 0.00 C ATOM 266 CG LYS A 20 -4.103 -2.682 12.567 1.00 0.00 C ATOM 267 CD LYS A 20 -4.105 -3.591 13.785 1.00 0.00 C ATOM 268 CE LYS A 20 -2.765 -4.287 13.964 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.385 -5.079 12.761 1.00 0.00 N ATOM 0 H LYS A 20 -4.474 -1.024 10.799 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.911 0.097 13.281 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.222 -1.973 11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.435 -1.790 13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.044 -2.134 12.520 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.040 -3.285 11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.334 -3.006 14.676 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.893 -4.337 13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.994 -3.544 14.168 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.811 -4.945 14.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.538 -5.644 12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.168 -5.712 12.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.184 -4.434 11.970 1.00 0.00 H new ATOM 279 N VAL A 21 -1.764 0.877 10.964 1.00 0.00 N ATOM 280 CA VAL A 21 -0.604 1.703 10.655 1.00 0.00 C ATOM 281 C VAL A 21 -1.026 3.044 10.066 1.00 0.00 C ATOM 282 O VAL A 21 -0.187 3.836 9.635 1.00 0.00 O ATOM 283 CB VAL A 21 0.342 0.996 9.668 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.682 0.705 10.327 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.293 -0.283 9.146 1.00 0.00 C ATOM 0 H VAL A 21 -2.253 0.514 10.146 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.076 1.872 11.594 1.00 0.00 H new ATOM 0 HB VAL A 21 0.517 1.660 8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.337 0.205 9.614 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.141 1.640 10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.529 0.061 11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.389 -0.770 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.500 -0.953 9.980 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.225 -0.044 8.634 1.00 0.00 H new ATOM 295 N ASP A 22 -2.330 3.294 10.051 1.00 0.00 N ATOM 296 CA ASP A 22 -2.864 4.541 9.516 1.00 0.00 C ATOM 297 C ASP A 22 -2.880 5.628 10.585 1.00 0.00 C ATOM 298 O ASP A 22 -3.916 5.909 11.188 1.00 0.00 O ATOM 299 CB ASP A 22 -4.277 4.323 8.972 1.00 0.00 C ATOM 300 CG ASP A 22 -4.988 5.628 8.667 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.296 6.627 8.381 1.00 0.00 O ATOM 302 OD2 ASP A 22 -6.236 5.647 8.713 1.00 0.00 O ATOM 0 H ASP A 22 -3.038 2.649 10.403 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.215 4.866 8.703 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.225 3.720 8.065 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.859 3.756 9.698 1.00 0.00 H new ATOM 306 N THR A 23 -1.722 6.239 10.817 1.00 0.00 N ATOM 307 CA THR A 23 -1.602 7.295 11.815 1.00 0.00 C ATOM 308 C THR A 23 -2.591 8.422 11.546 1.00 0.00 C ATOM 309 O THR A 23 -3.207 8.955 12.469 1.00 0.00 O ATOM 310 CB THR A 23 -0.175 7.876 11.849 1.00 0.00 C ATOM 311 OG1 THR A 23 -0.119 8.985 12.752 1.00 0.00 O ATOM 312 CG2 THR A 23 0.259 8.324 10.460 1.00 0.00 C ATOM 0 H THR A 23 -0.854 6.021 10.327 1.00 0.00 H new ATOM 0 HA THR A 23 -1.826 6.843 12.781 1.00 0.00 H new ATOM 0 HB THR A 23 0.504 7.095 12.191 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.791 9.347 12.769 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.269 8.731 10.508 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.243 7.471 9.781 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.424 9.091 10.095 1.00 0.00 H new ATOM 320 N ASP A 24 -2.740 8.782 10.275 1.00 0.00 N ATOM 321 CA ASP A 24 -3.657 9.846 9.884 1.00 0.00 C ATOM 322 C ASP A 24 -5.094 9.486 10.252 1.00 0.00 C ATOM 323 O ASP A 24 -5.931 10.364 10.457 1.00 0.00 O ATOM 324 CB ASP A 24 -3.553 10.111 8.381 1.00 0.00 C ATOM 325 CG ASP A 24 -2.282 10.849 8.011 1.00 0.00 C ATOM 326 OD1 ASP A 24 -2.344 12.082 7.824 1.00 0.00 O ATOM 327 OD2 ASP A 24 -1.223 10.193 7.909 1.00 0.00 O ATOM 0 H ASP A 24 -2.237 8.352 9.499 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.378 10.751 10.424 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.589 9.163 7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.416 10.693 8.057 1.00 0.00 H new ATOM 331 N GLY A 25 -5.373 8.189 10.331 1.00 0.00 N ATOM 332 CA GLY A 25 -6.709 7.736 10.671 1.00 0.00 C ATOM 333 C GLY A 25 -7.710 8.001 9.564 1.00 0.00 C ATOM 334 O GLY A 25 -8.902 7.741 9.722 1.00 0.00 O ATOM 0 H GLY A 25 -4.697 7.443 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.683 6.668 10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.038 8.236 11.582 1.00 0.00 H new ATOM 338 N ASN A 26 -7.225 8.521 8.442 1.00 0.00 N ATOM 339 CA ASN A 26 -8.087 8.823 7.304 1.00 0.00 C ATOM 340 C ASN A 26 -7.749 7.932 6.113 1.00 0.00 C ATOM 341 O ASN A 26 -8.048 8.269 4.968 1.00 0.00 O ATOM 342 CB ASN A 26 -7.950 10.295 6.910 1.00 0.00 C ATOM 343 CG ASN A 26 -7.801 11.206 8.115 1.00 0.00 C ATOM 344 OD1 ASN A 26 -6.630 11.814 8.255 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -8.729 11.358 8.909 1.00 0.00 N flip ATOM 0 H ASN A 26 -6.240 8.742 8.296 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.118 8.628 7.599 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.084 10.415 6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.826 10.597 6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.612 10.870 8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.615 11.972 9.715 1.00 0.00 H new ATOM 351 N GLY A 27 -7.124 6.793 6.393 1.00 0.00 N ATOM 352 CA GLY A 27 -6.756 5.870 5.335 1.00 0.00 C ATOM 353 C GLY A 27 -5.452 6.252 4.660 1.00 0.00 C ATOM 354 O GLY A 27 -5.260 5.990 3.472 1.00 0.00 O ATOM 0 H GLY A 27 -6.866 6.493 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.667 4.865 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.552 5.839 4.591 1.00 0.00 H new ATOM 358 N TYR A 28 -4.556 6.873 5.418 1.00 0.00 N ATOM 359 CA TYR A 28 -3.265 7.295 4.885 1.00 0.00 C ATOM 360 C TYR A 28 -2.121 6.742 5.729 1.00 0.00 C ATOM 361 O TYR A 28 -2.184 6.743 6.959 1.00 0.00 O ATOM 362 CB TYR A 28 -3.185 8.822 4.837 1.00 0.00 C ATOM 363 CG TYR A 28 -3.488 9.400 3.473 1.00 0.00 C ATOM 364 CD1 TYR A 28 -2.527 9.407 2.471 1.00 0.00 C ATOM 365 CD2 TYR A 28 -4.737 9.940 3.187 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.799 9.935 1.223 1.00 0.00 C ATOM 367 CE2 TYR A 28 -5.018 10.468 1.942 1.00 0.00 C ATOM 368 CZ TYR A 28 -4.046 10.464 0.964 1.00 0.00 C ATOM 369 OH TYR A 28 -4.322 10.991 -0.277 1.00 0.00 O ATOM 0 H TYR A 28 -4.699 7.096 6.403 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.171 6.900 3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.885 9.237 5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.186 9.135 5.142 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.550 8.993 2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.500 9.947 3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.039 9.933 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.994 10.882 1.736 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.604 11.605 -0.539 1.00 0.00 H new ATOM 378 N ILE A 29 -1.075 6.270 5.059 1.00 0.00 N ATOM 379 CA ILE A 29 0.084 5.715 5.745 1.00 0.00 C ATOM 380 C ILE A 29 1.384 6.204 5.113 1.00 0.00 C ATOM 381 O ILE A 29 1.450 6.435 3.906 1.00 0.00 O ATOM 382 CB ILE A 29 0.066 4.175 5.727 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.132 3.659 4.288 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.179 3.652 6.427 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.315 2.161 4.190 1.00 0.00 C ATOM 0 H ILE A 29 -1.007 6.261 4.041 1.00 0.00 H new ATOM 0 HA ILE A 29 0.033 6.059 6.778 1.00 0.00 H new ATOM 0 HB ILE A 29 0.941 3.810 6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.784 3.940 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.956 4.152 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.177 2.562 6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.186 3.995 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.067 4.023 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.353 1.867 3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.245 1.875 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.521 1.660 4.677 1.00 0.00 H new ATOM 396 N SER A 30 2.415 6.357 5.937 1.00 0.00 N ATOM 397 CA SER A 30 3.713 6.821 5.459 1.00 0.00 C ATOM 398 C SER A 30 4.498 5.677 4.825 1.00 0.00 C ATOM 399 O SER A 30 4.176 4.504 5.019 1.00 0.00 O ATOM 400 CB SER A 30 4.516 7.430 6.611 1.00 0.00 C ATOM 401 OG SER A 30 5.868 7.629 6.239 1.00 0.00 O ATOM 0 H SER A 30 2.378 6.167 6.938 1.00 0.00 H new ATOM 0 HA SER A 30 3.542 7.585 4.701 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.072 8.381 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.467 6.774 7.480 1.00 0.00 H new ATOM 0 HG SER A 30 6.360 8.020 6.991 1.00 0.00 H new ATOM 406 N PHE A 31 5.532 6.026 4.067 1.00 0.00 N ATOM 407 CA PHE A 31 6.364 5.030 3.403 1.00 0.00 C ATOM 408 C PHE A 31 6.716 3.892 4.356 1.00 0.00 C ATOM 409 O PHE A 31 6.435 2.727 4.079 1.00 0.00 O ATOM 410 CB PHE A 31 7.645 5.677 2.870 1.00 0.00 C ATOM 411 CG PHE A 31 7.641 5.876 1.381 1.00 0.00 C ATOM 412 CD1 PHE A 31 8.425 5.081 0.562 1.00 0.00 C ATOM 413 CD2 PHE A 31 6.854 6.858 0.802 1.00 0.00 C ATOM 414 CE1 PHE A 31 8.424 5.261 -0.809 1.00 0.00 C ATOM 415 CE2 PHE A 31 6.849 7.043 -0.568 1.00 0.00 C ATOM 416 CZ PHE A 31 7.635 6.243 -1.375 1.00 0.00 C ATOM 0 H PHE A 31 5.814 6.992 3.897 1.00 0.00 H new ATOM 0 HA PHE A 31 5.797 4.619 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.785 6.642 3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.498 5.055 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.044 4.312 0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.237 7.486 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.040 4.634 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.231 7.812 -1.007 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.632 6.385 -2.446 1.00 0.00 H new ATOM 425 N ASN A 32 7.333 4.239 5.481 1.00 0.00 N ATOM 426 CA ASN A 32 7.723 3.247 6.476 1.00 0.00 C ATOM 427 C ASN A 32 6.528 2.396 6.894 1.00 0.00 C ATOM 428 O ASN A 32 6.614 1.169 6.942 1.00 0.00 O ATOM 429 CB ASN A 32 8.329 3.934 7.702 1.00 0.00 C ATOM 430 CG ASN A 32 9.790 4.291 7.503 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.653 3.414 7.459 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.071 5.582 7.381 1.00 0.00 N ATOM 0 H ASN A 32 7.574 5.199 5.726 1.00 0.00 H new ATOM 0 HA ASN A 32 8.471 2.594 6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.764 4.839 7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.233 3.278 8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.036 5.883 7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.322 6.273 7.424 1.00 0.00 H new ATOM 438 N GLU A 33 5.415 3.056 7.196 1.00 0.00 N ATOM 439 CA GLU A 33 4.203 2.360 7.612 1.00 0.00 C ATOM 440 C GLU A 33 3.748 1.375 6.539 1.00 0.00 C ATOM 441 O GLU A 33 3.314 0.263 6.845 1.00 0.00 O ATOM 442 CB GLU A 33 3.086 3.364 7.904 1.00 0.00 C ATOM 443 CG GLU A 33 3.448 4.384 8.970 1.00 0.00 C ATOM 444 CD GLU A 33 4.580 3.916 9.864 1.00 0.00 C ATOM 445 OE1 GLU A 33 4.354 2.990 10.670 1.00 0.00 O ATOM 446 OE2 GLU A 33 5.692 4.478 9.758 1.00 0.00 O ATOM 0 H GLU A 33 5.327 4.072 7.160 1.00 0.00 H new ATOM 0 HA GLU A 33 4.428 1.803 8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.830 3.888 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.195 2.822 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.732 5.320 8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.570 4.593 9.581 1.00 0.00 H new ATOM 451 N LEU A 34 3.849 1.790 5.281 1.00 0.00 N ATOM 452 CA LEU A 34 3.448 0.944 4.162 1.00 0.00 C ATOM 453 C LEU A 34 4.202 -0.381 4.183 1.00 0.00 C ATOM 454 O LEU A 34 3.602 -1.446 4.322 1.00 0.00 O ATOM 455 CB LEU A 34 3.699 1.666 2.836 1.00 0.00 C ATOM 456 CG LEU A 34 3.849 0.774 1.604 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.579 -0.030 1.370 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.186 1.610 0.378 1.00 0.00 C ATOM 0 H LEU A 34 4.205 2.707 5.010 1.00 0.00 H new ATOM 0 HA LEU A 34 2.383 0.736 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.875 2.358 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.603 2.266 2.938 1.00 0.00 H new ATOM 0 HG LEU A 34 4.669 0.078 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.704 -0.659 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.380 -0.657 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.741 0.650 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.289 0.958 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.388 2.330 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.123 2.141 0.546 1.00 0.00 H new ATOM 469 N ASN A 35 5.522 -0.308 4.045 1.00 0.00 N ATOM 470 CA ASN A 35 6.358 -1.502 4.049 1.00 0.00 C ATOM 471 C ASN A 35 5.998 -2.415 5.218 1.00 0.00 C ATOM 472 O ASN A 35 5.845 -3.624 5.050 1.00 0.00 O ATOM 473 CB ASN A 35 7.836 -1.114 4.128 1.00 0.00 C ATOM 474 CG ASN A 35 8.741 -2.317 4.311 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.730 -3.245 3.501 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.529 -2.308 5.379 1.00 0.00 N ATOM 0 H ASN A 35 6.035 0.566 3.929 1.00 0.00 H new ATOM 0 HA ASN A 35 6.179 -2.043 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.119 -0.585 3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.983 -0.422 4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.158 -3.091 5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.505 -1.518 6.024 1.00 0.00 H new ATOM 482 N ASP A 36 5.864 -1.825 6.401 1.00 0.00 N ATOM 483 CA ASP A 36 5.519 -2.584 7.598 1.00 0.00 C ATOM 484 C ASP A 36 4.130 -3.202 7.469 1.00 0.00 C ATOM 485 O ASP A 36 3.881 -4.303 7.964 1.00 0.00 O ATOM 486 CB ASP A 36 5.577 -1.683 8.833 1.00 0.00 C ATOM 487 CG ASP A 36 6.930 -1.023 9.004 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.062 -0.163 9.901 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.858 -1.366 8.243 1.00 0.00 O ATOM 0 H ASP A 36 5.989 -0.825 6.557 1.00 0.00 H new ATOM 0 HA ASP A 36 6.246 -3.389 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.808 -0.914 8.755 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.349 -2.273 9.721 1.00 0.00 H new ATOM 493 N LEU A 37 3.230 -2.488 6.802 1.00 0.00 N ATOM 494 CA LEU A 37 1.865 -2.965 6.609 1.00 0.00 C ATOM 495 C LEU A 37 1.838 -4.170 5.673 1.00 0.00 C ATOM 496 O LEU A 37 1.036 -5.088 5.848 1.00 0.00 O ATOM 497 CB LEU A 37 0.988 -1.846 6.044 1.00 0.00 C ATOM 498 CG LEU A 37 -0.150 -2.287 5.123 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.085 -3.243 5.848 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.917 -1.077 4.608 1.00 0.00 C ATOM 0 H LEU A 37 3.421 -1.577 6.386 1.00 0.00 H new ATOM 0 HA LEU A 37 1.472 -3.271 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.559 -1.291 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.626 -1.154 5.495 1.00 0.00 H new ATOM 0 HG LEU A 37 0.281 -2.811 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.888 -3.546 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.528 -4.124 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.509 -2.746 6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.723 -1.409 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.336 -0.526 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.241 -0.428 4.051 1.00 0.00 H new ATOM 511 N PHE A 38 2.721 -4.161 4.680 1.00 0.00 N ATOM 512 CA PHE A 38 2.798 -5.254 3.716 1.00 0.00 C ATOM 513 C PHE A 38 3.232 -6.549 4.396 1.00 0.00 C ATOM 514 O PHE A 38 2.567 -7.579 4.280 1.00 0.00 O ATOM 515 CB PHE A 38 3.775 -4.903 2.592 1.00 0.00 C ATOM 516 CG PHE A 38 3.113 -4.721 1.257 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.960 -5.793 0.393 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.644 -3.477 0.865 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.350 -5.630 -0.836 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.033 -3.308 -0.364 1.00 0.00 C ATOM 521 CZ PHE A 38 1.887 -4.386 -1.216 1.00 0.00 C ATOM 0 H PHE A 38 3.393 -3.410 4.521 1.00 0.00 H new ATOM 0 HA PHE A 38 1.805 -5.402 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.304 -3.987 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.524 -5.691 2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.322 -6.768 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.757 -2.631 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.235 -6.475 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.670 -2.334 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.412 -4.256 -2.177 1.00 0.00 H new ATOM 530 N LYS A 39 4.353 -6.490 5.107 1.00 0.00 N ATOM 531 CA LYS A 39 4.878 -7.656 5.808 1.00 0.00 C ATOM 532 C LYS A 39 3.927 -8.099 6.915 1.00 0.00 C ATOM 533 O LYS A 39 3.604 -9.280 7.032 1.00 0.00 O ATOM 534 CB LYS A 39 6.255 -7.345 6.398 1.00 0.00 C ATOM 535 CG LYS A 39 7.193 -6.654 5.423 1.00 0.00 C ATOM 536 CD LYS A 39 8.572 -6.447 6.027 1.00 0.00 C ATOM 537 CE LYS A 39 8.508 -5.587 7.280 1.00 0.00 C ATOM 538 NZ LYS A 39 8.403 -6.413 8.515 1.00 0.00 N ATOM 0 H LYS A 39 4.916 -5.646 5.213 1.00 0.00 H new ATOM 0 HA LYS A 39 4.973 -8.469 5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.130 -6.714 7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.715 -8.274 6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.279 -7.250 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.773 -5.691 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.013 -7.414 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.225 -5.975 5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.398 -4.961 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.651 -4.917 7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.630 -6.052 9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.209 -7.401 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.298 -6.363 9.043 1.00 0.00 H new ATOM 548 N ALA A 40 3.482 -7.143 7.723 1.00 0.00 N ATOM 549 CA ALA A 40 2.565 -7.434 8.819 1.00 0.00 C ATOM 550 C ALA A 40 1.244 -7.989 8.297 1.00 0.00 C ATOM 551 O ALA A 40 0.498 -8.635 9.031 1.00 0.00 O ATOM 552 CB ALA A 40 2.323 -6.184 9.651 1.00 0.00 C ATOM 0 H ALA A 40 3.741 -6.160 7.640 1.00 0.00 H new ATOM 0 HA ALA A 40 3.024 -8.194 9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.637 -6.416 10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.269 -5.832 10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.890 -5.406 9.022 1.00 0.00 H new ATOM 558 N ALA A 41 0.961 -7.730 7.024 1.00 0.00 N ATOM 559 CA ALA A 41 -0.269 -8.205 6.403 1.00 0.00 C ATOM 560 C ALA A 41 -0.105 -9.626 5.873 1.00 0.00 C ATOM 561 O ALA A 41 -1.014 -10.174 5.250 1.00 0.00 O ATOM 562 CB ALA A 41 -0.690 -7.267 5.282 1.00 0.00 C ATOM 0 H ALA A 41 1.567 -7.194 6.403 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.049 -8.218 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.610 -7.634 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.858 -6.269 5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.096 -7.225 4.528 1.00 0.00 H new ATOM 568 N CYS A 42 1.059 -10.215 6.125 1.00 0.00 N ATOM 569 CA CYS A 42 1.343 -11.571 5.671 1.00 0.00 C ATOM 570 C CYS A 42 1.190 -11.682 4.157 1.00 0.00 C ATOM 571 O CYS A 42 0.875 -12.750 3.631 1.00 0.00 O ATOM 572 CB CYS A 42 0.413 -12.567 6.364 1.00 0.00 C ATOM 573 SG CYS A 42 1.033 -14.266 6.383 1.00 0.00 S ATOM 0 H CYS A 42 1.821 -9.775 6.641 1.00 0.00 H new ATOM 0 HA CYS A 42 2.375 -11.806 5.931 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.248 -12.240 7.391 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.556 -12.551 5.865 1.00 0.00 H new ATOM 0 HG CYS A 42 0.178 -15.033 6.992 1.00 0.00 H new ATOM 578 N LEU A 43 1.414 -10.572 3.463 1.00 0.00 N ATOM 579 CA LEU A 43 1.300 -10.543 2.009 1.00 0.00 C ATOM 580 C LEU A 43 2.371 -11.415 1.361 1.00 0.00 C ATOM 581 O LEU A 43 3.392 -11.740 1.967 1.00 0.00 O ATOM 582 CB LEU A 43 1.418 -9.106 1.497 1.00 0.00 C ATOM 583 CG LEU A 43 0.114 -8.312 1.419 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.952 -8.948 2.298 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.346 -6.864 1.824 1.00 0.00 C ATOM 0 H LEU A 43 1.676 -9.680 3.883 1.00 0.00 H new ATOM 0 HA LEU A 43 0.322 -10.940 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.110 -8.567 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.865 -9.131 0.503 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.237 -8.328 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.873 -8.369 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.139 -9.968 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.609 -8.963 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.593 -6.314 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.721 -6.828 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.076 -6.411 1.153 1.00 0.00 H new ATOM 596 N PRO A 44 2.136 -11.802 0.099 1.00 0.00 N ATOM 597 CA PRO A 44 3.069 -12.639 -0.660 1.00 0.00 C ATOM 598 C PRO A 44 4.351 -11.896 -1.023 1.00 0.00 C ATOM 599 O PRO A 44 5.454 -12.398 -0.806 1.00 0.00 O ATOM 600 CB PRO A 44 2.281 -12.994 -1.924 1.00 0.00 C ATOM 601 CG PRO A 44 1.297 -11.886 -2.080 1.00 0.00 C ATOM 602 CD PRO A 44 0.940 -11.451 -0.686 1.00 0.00 C ATOM 0 HA PRO A 44 3.396 -13.507 -0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.936 -13.067 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.780 -13.957 -1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.725 -11.061 -2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.413 -12.222 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.729 -10.383 -0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.053 -11.967 -0.319 1.00 0.00 H new ATOM 607 N LEU A 45 4.198 -10.698 -1.575 1.00 0.00 N ATOM 608 CA LEU A 45 5.343 -9.884 -1.968 1.00 0.00 C ATOM 609 C LEU A 45 6.341 -9.759 -0.821 1.00 0.00 C ATOM 610 O LEU A 45 5.970 -9.618 0.345 1.00 0.00 O ATOM 611 CB LEU A 45 4.880 -8.495 -2.410 1.00 0.00 C ATOM 612 CG LEU A 45 3.950 -8.451 -3.622 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.280 -7.259 -4.506 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.045 -9.747 -4.414 1.00 0.00 C ATOM 0 H LEU A 45 3.292 -10.268 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 45 5.838 -10.378 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.373 -8.019 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.762 -7.894 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 45 2.926 -8.340 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.607 -7.245 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.160 -6.338 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.310 -7.338 -4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.376 -9.698 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.069 -9.888 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.758 -10.584 -3.778 1.00 0.00 H new ATOM 625 N PRO A 46 7.638 -9.811 -1.157 1.00 0.00 N ATOM 626 CA PRO A 46 8.716 -9.703 -0.169 1.00 0.00 C ATOM 627 C PRO A 46 8.825 -8.301 0.420 1.00 0.00 C ATOM 628 O PRO A 46 7.938 -7.469 0.233 1.00 0.00 O ATOM 629 CB PRO A 46 9.973 -10.042 -0.977 1.00 0.00 C ATOM 630 CG PRO A 46 9.623 -9.696 -2.384 1.00 0.00 C ATOM 631 CD PRO A 46 8.153 -9.978 -2.527 1.00 0.00 C ATOM 0 HA PRO A 46 8.552 -10.359 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.833 -9.469 -0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.233 -11.096 -0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.842 -8.649 -2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.205 -10.291 -3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.677 -9.286 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.972 -10.984 -2.904 1.00 0.00 H new ATOM 636 N GLY A 47 9.918 -8.046 1.133 1.00 0.00 N ATOM 637 CA GLY A 47 10.121 -6.743 1.738 1.00 0.00 C ATOM 638 C GLY A 47 10.695 -5.734 0.764 1.00 0.00 C ATOM 639 O GLY A 47 10.303 -4.567 0.765 1.00 0.00 O ATOM 0 H GLY A 47 10.666 -8.718 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.171 -6.372 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.792 -6.843 2.591 1.00 0.00 H new ATOM 643 N TYR A 48 11.628 -6.183 -0.069 1.00 0.00 N ATOM 644 CA TYR A 48 12.260 -5.310 -1.051 1.00 0.00 C ATOM 645 C TYR A 48 11.271 -4.913 -2.143 1.00 0.00 C ATOM 646 O TYR A 48 11.261 -3.769 -2.599 1.00 0.00 O ATOM 647 CB TYR A 48 13.474 -6.001 -1.672 1.00 0.00 C ATOM 648 CG TYR A 48 13.130 -7.267 -2.424 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.824 -7.233 -3.779 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.111 -8.498 -1.779 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.509 -8.387 -4.470 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.799 -9.657 -2.462 1.00 0.00 C ATOM 653 CZ TYR A 48 12.498 -9.597 -3.807 1.00 0.00 C ATOM 654 OH TYR A 48 12.185 -10.749 -4.491 1.00 0.00 O ATOM 0 H TYR A 48 11.963 -7.146 -0.084 1.00 0.00 H new ATOM 0 HA TYR A 48 12.589 -4.406 -0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.968 -5.307 -2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.189 -6.239 -0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.833 -6.288 -4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.344 -8.549 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.273 -8.342 -5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.791 -10.606 -1.946 1.00 0.00 H new ATOM 0 HH TYR A 48 12.223 -11.513 -3.879 1.00 0.00 H new ATOM 663 N ARG A 49 10.443 -5.865 -2.557 1.00 0.00 N ATOM 664 CA ARG A 49 9.450 -5.617 -3.596 1.00 0.00 C ATOM 665 C ARG A 49 8.577 -4.417 -3.238 1.00 0.00 C ATOM 666 O ARG A 49 8.356 -3.529 -4.061 1.00 0.00 O ATOM 667 CB ARG A 49 8.576 -6.854 -3.802 1.00 0.00 C ATOM 668 CG ARG A 49 9.090 -7.789 -4.885 1.00 0.00 C ATOM 669 CD ARG A 49 8.376 -7.557 -6.207 1.00 0.00 C ATOM 670 NE ARG A 49 9.190 -6.784 -7.141 1.00 0.00 N ATOM 671 CZ ARG A 49 8.725 -6.279 -8.277 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.457 -6.464 -8.620 1.00 0.00 N ATOM 673 NH2 ARG A 49 9.528 -5.586 -9.075 1.00 0.00 N ATOM 0 H ARG A 49 10.439 -6.816 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 49 9.978 -5.396 -4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.509 -7.402 -2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.565 -6.536 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.161 -7.639 -5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.949 -8.823 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.123 -8.518 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.437 -7.033 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 49 10.170 -6.623 -6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.836 -6.996 -8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.103 -6.074 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.504 -5.441 -8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.169 -5.199 -9.948 1.00 0.00 H new ATOM 684 N VAL A 50 8.083 -4.399 -2.003 1.00 0.00 N ATOM 685 CA VAL A 50 7.235 -3.309 -1.536 1.00 0.00 C ATOM 686 C VAL A 50 8.016 -2.002 -1.449 1.00 0.00 C ATOM 687 O VAL A 50 7.636 -1.000 -2.053 1.00 0.00 O ATOM 688 CB VAL A 50 6.627 -3.624 -0.156 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.637 -2.543 0.251 1.00 0.00 C ATOM 690 CG2 VAL A 50 5.959 -4.991 -0.168 1.00 0.00 C ATOM 0 H VAL A 50 8.256 -5.126 -1.309 1.00 0.00 H new ATOM 0 HA VAL A 50 6.431 -3.200 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 50 7.431 -3.643 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.218 -2.783 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.148 -1.582 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.834 -2.489 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.535 -5.197 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.165 -5.002 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.697 -5.755 -0.412 1.00 0.00 H new ATOM 700 N ARG A 51 9.109 -2.023 -0.695 1.00 0.00 N ATOM 701 CA ARG A 51 9.943 -0.839 -0.528 1.00 0.00 C ATOM 702 C ARG A 51 10.348 -0.264 -1.882 1.00 0.00 C ATOM 703 O ARG A 51 10.375 0.952 -2.067 1.00 0.00 O ATOM 704 CB ARG A 51 11.193 -1.180 0.287 1.00 0.00 C ATOM 705 CG ARG A 51 12.269 -0.109 0.229 1.00 0.00 C ATOM 706 CD ARG A 51 12.957 0.063 1.574 1.00 0.00 C ATOM 707 NE ARG A 51 13.110 1.471 1.935 1.00 0.00 N ATOM 708 CZ ARG A 51 12.105 2.238 2.342 1.00 0.00 C ATOM 709 NH1 ARG A 51 10.881 1.736 2.440 1.00 0.00 N ATOM 710 NH2 ARG A 51 12.323 3.509 2.652 1.00 0.00 N ATOM 0 H ARG A 51 9.438 -2.846 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 51 9.361 -0.089 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.906 -1.339 1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.608 -2.120 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.008 -0.374 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.825 0.838 -0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.380 -0.448 2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.938 -0.412 1.543 1.00 0.00 H new ATOM 0 HE ARG A 51 14.039 1.887 1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.710 0.759 2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.111 2.327 2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.263 3.898 2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.551 4.097 2.964 1.00 0.00 H new ATOM 721 N GLU A 52 10.662 -1.148 -2.824 1.00 0.00 N ATOM 722 CA GLU A 52 11.067 -0.727 -4.161 1.00 0.00 C ATOM 723 C GLU A 52 9.892 -0.112 -4.916 1.00 0.00 C ATOM 724 O GLU A 52 9.989 0.998 -5.439 1.00 0.00 O ATOM 725 CB GLU A 52 11.627 -1.914 -4.945 1.00 0.00 C ATOM 726 CG GLU A 52 12.199 -1.534 -6.301 1.00 0.00 C ATOM 727 CD GLU A 52 11.138 -1.463 -7.382 1.00 0.00 C ATOM 728 OE1 GLU A 52 10.089 -2.122 -7.226 1.00 0.00 O ATOM 729 OE2 GLU A 52 11.357 -0.752 -8.385 1.00 0.00 O ATOM 0 H GLU A 52 10.644 -2.159 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 52 11.845 0.029 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.406 -2.394 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.836 -2.650 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.698 -0.568 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.957 -2.262 -6.588 1.00 0.00 H new ATOM 734 N ILE A 53 8.784 -0.843 -4.970 1.00 0.00 N ATOM 735 CA ILE A 53 7.590 -0.371 -5.661 1.00 0.00 C ATOM 736 C ILE A 53 7.238 1.051 -5.239 1.00 0.00 C ATOM 737 O ILE A 53 6.859 1.880 -6.067 1.00 0.00 O ATOM 738 CB ILE A 53 6.383 -1.289 -5.391 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.566 -2.631 -6.102 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.095 -0.615 -5.840 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.826 -3.772 -5.440 1.00 0.00 C ATOM 0 H ILE A 53 8.688 -1.765 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 53 7.815 -0.386 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 53 6.318 -1.474 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.224 -2.536 -7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.629 -2.871 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.251 -1.276 -5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.962 0.317 -5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.148 -0.403 -6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.001 -4.692 -5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.184 -3.894 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.758 -3.554 -5.426 1.00 0.00 H new ATOM 752 N THR A 54 7.368 1.329 -3.945 1.00 0.00 N ATOM 753 CA THR A 54 7.064 2.651 -3.413 1.00 0.00 C ATOM 754 C THR A 54 8.123 3.667 -3.827 1.00 0.00 C ATOM 755 O THR A 54 7.813 4.677 -4.457 1.00 0.00 O ATOM 756 CB THR A 54 6.963 2.629 -1.876 1.00 0.00 C ATOM 757 OG1 THR A 54 6.690 1.298 -1.423 1.00 0.00 O ATOM 758 CG2 THR A 54 5.870 3.569 -1.392 1.00 0.00 C ATOM 0 H THR A 54 7.682 0.655 -3.246 1.00 0.00 H new ATOM 0 HA THR A 54 6.100 2.945 -3.829 1.00 0.00 H new ATOM 0 HB THR A 54 7.916 2.964 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.475 0.732 -1.577 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.818 3.536 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.095 4.586 -1.714 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.912 3.260 -1.811 1.00 0.00 H new ATOM 766 N GLU A 55 9.373 3.391 -3.468 1.00 0.00 N ATOM 767 CA GLU A 55 10.477 4.283 -3.802 1.00 0.00 C ATOM 768 C GLU A 55 10.478 4.611 -5.293 1.00 0.00 C ATOM 769 O GLU A 55 10.827 5.721 -5.694 1.00 0.00 O ATOM 770 CB GLU A 55 11.812 3.647 -3.408 1.00 0.00 C ATOM 771 CG GLU A 55 12.570 4.431 -2.351 1.00 0.00 C ATOM 772 CD GLU A 55 14.037 4.604 -2.691 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.883 4.378 -1.801 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.339 4.966 -3.848 1.00 0.00 O ATOM 0 H GLU A 55 9.646 2.558 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 55 10.345 5.209 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.629 2.638 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.437 3.553 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.110 5.412 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.481 3.920 -1.392 1.00 0.00 H new ATOM 779 N ASN A 56 10.085 3.638 -6.108 1.00 0.00 N ATOM 780 CA ASN A 56 10.041 3.823 -7.555 1.00 0.00 C ATOM 781 C ASN A 56 8.706 4.419 -7.986 1.00 0.00 C ATOM 782 O ASN A 56 8.596 5.013 -9.061 1.00 0.00 O ATOM 783 CB ASN A 56 10.272 2.489 -8.267 1.00 0.00 C ATOM 784 CG ASN A 56 10.550 2.664 -9.747 1.00 0.00 C ATOM 785 OD1 ASN A 56 11.488 3.362 -10.135 1.00 0.00 O ATOM 786 ND2 ASN A 56 9.734 2.030 -10.582 1.00 0.00 N ATOM 0 H ASN A 56 9.792 2.713 -5.792 1.00 0.00 H new ATOM 0 HA ASN A 56 10.834 4.517 -7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.111 1.972 -7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.395 1.855 -8.137 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.872 2.111 -11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.970 1.462 -10.216 1.00 0.00 H new ATOM 792 N LEU A 57 7.692 4.258 -7.143 1.00 0.00 N ATOM 793 CA LEU A 57 6.362 4.781 -7.437 1.00 0.00 C ATOM 794 C LEU A 57 6.383 6.304 -7.524 1.00 0.00 C ATOM 795 O LEU A 57 6.053 6.880 -8.561 1.00 0.00 O ATOM 796 CB LEU A 57 5.368 4.335 -6.364 1.00 0.00 C ATOM 797 CG LEU A 57 4.342 3.286 -6.794 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.393 2.966 -5.648 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.567 3.767 -8.012 1.00 0.00 C ATOM 0 H LEU A 57 7.765 3.770 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 57 6.048 4.384 -8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.930 3.939 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.831 5.214 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 57 4.874 2.374 -7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.670 2.218 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.961 2.579 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.867 3.872 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.841 3.008 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.046 4.693 -7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.258 3.945 -8.836 1.00 0.00 H new ATOM 810 N MET A 58 6.775 6.949 -6.431 1.00 0.00 N ATOM 811 CA MET A 58 6.842 8.405 -6.385 1.00 0.00 C ATOM 812 C MET A 58 8.160 8.907 -6.967 1.00 0.00 C ATOM 813 O MET A 58 8.349 10.108 -7.155 1.00 0.00 O ATOM 814 CB MET A 58 6.686 8.900 -4.947 1.00 0.00 C ATOM 815 CG MET A 58 7.690 8.289 -3.981 1.00 0.00 C ATOM 816 SD MET A 58 9.085 9.381 -3.648 1.00 0.00 S ATOM 817 CE MET A 58 9.195 9.253 -1.864 1.00 0.00 C ATOM 0 H MET A 58 7.051 6.487 -5.565 1.00 0.00 H new ATOM 0 HA MET A 58 6.024 8.800 -6.988 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.793 9.985 -4.931 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.677 8.674 -4.601 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.188 8.051 -3.043 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.059 7.349 -4.392 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.863 10.026 -1.484 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.205 9.384 -1.428 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.584 8.272 -1.593 1.00 0.00 H new ATOM 825 N ALA A 59 9.068 7.978 -7.251 1.00 0.00 N ATOM 826 CA ALA A 59 10.367 8.327 -7.813 1.00 0.00 C ATOM 827 C ALA A 59 10.219 9.317 -8.964 1.00 0.00 C ATOM 828 O ALA A 59 11.132 10.092 -9.251 1.00 0.00 O ATOM 829 CB ALA A 59 11.092 7.074 -8.282 1.00 0.00 C ATOM 0 H ALA A 59 8.928 6.979 -7.101 1.00 0.00 H new ATOM 0 HA ALA A 59 10.958 8.805 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.061 7.349 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.239 6.401 -7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.497 6.573 -9.046 1.00 0.00 H new ATOM 835 N THR A 60 9.065 9.285 -9.622 1.00 0.00 N ATOM 836 CA THR A 60 8.798 10.178 -10.743 1.00 0.00 C ATOM 837 C THR A 60 7.833 11.288 -10.344 1.00 0.00 C ATOM 838 O THR A 60 8.153 12.471 -10.451 1.00 0.00 O ATOM 839 CB THR A 60 8.214 9.411 -11.944 1.00 0.00 C ATOM 840 OG1 THR A 60 7.328 8.384 -11.486 1.00 0.00 O ATOM 841 CG2 THR A 60 9.322 8.794 -12.785 1.00 0.00 C ATOM 0 H THR A 60 8.299 8.650 -9.398 1.00 0.00 H new ATOM 0 HA THR A 60 9.753 10.618 -11.032 1.00 0.00 H new ATOM 0 HB THR A 60 7.661 10.118 -12.563 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.960 7.902 -12.256 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.884 8.258 -13.627 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.977 9.581 -13.157 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.899 8.100 -12.174 1.00 0.00 H new ATOM 849 N GLY A 61 6.648 10.898 -9.883 1.00 0.00 N ATOM 850 CA GLY A 61 5.655 11.874 -9.474 1.00 0.00 C ATOM 851 C GLY A 61 4.322 11.236 -9.133 1.00 0.00 C ATOM 852 O GLY A 61 3.269 11.723 -9.547 1.00 0.00 O ATOM 0 H GLY A 61 6.359 9.925 -9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.024 12.422 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.513 12.600 -10.274 1.00 0.00 H new ATOM 856 N ASP A 62 4.367 10.143 -8.378 1.00 0.00 N ATOM 857 CA ASP A 62 3.154 9.438 -7.982 1.00 0.00 C ATOM 858 C ASP A 62 2.645 9.945 -6.636 1.00 0.00 C ATOM 859 O ASP A 62 1.491 10.358 -6.513 1.00 0.00 O ATOM 860 CB ASP A 62 3.415 7.933 -7.909 1.00 0.00 C ATOM 861 CG ASP A 62 3.389 7.273 -9.274 1.00 0.00 C ATOM 862 OD1 ASP A 62 4.175 7.690 -10.150 1.00 0.00 O ATOM 863 OD2 ASP A 62 2.581 6.341 -9.466 1.00 0.00 O ATOM 0 H ASP A 62 5.230 9.727 -8.029 1.00 0.00 H new ATOM 0 HA ASP A 62 2.389 9.630 -8.734 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.384 7.758 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.665 7.468 -7.270 1.00 0.00 H new ATOM 867 N LEU A 63 3.513 9.908 -5.630 1.00 0.00 N ATOM 868 CA LEU A 63 3.152 10.363 -4.292 1.00 0.00 C ATOM 869 C LEU A 63 3.598 11.804 -4.067 1.00 0.00 C ATOM 870 O LEU A 63 3.678 12.270 -2.931 1.00 0.00 O ATOM 871 CB LEU A 63 3.779 9.452 -3.236 1.00 0.00 C ATOM 872 CG LEU A 63 3.421 7.968 -3.331 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.136 7.580 -4.774 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.540 7.112 -2.756 1.00 0.00 C ATOM 0 H LEU A 63 4.471 9.568 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 63 2.067 10.321 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.863 9.548 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.484 9.814 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 63 2.519 7.792 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.883 6.521 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.301 8.170 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.020 7.770 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.268 6.059 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.459 7.291 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.696 7.372 -1.709 1.00 0.00 H new ATOM 885 N ASP A 64 3.886 12.506 -5.158 1.00 0.00 N ATOM 886 CA ASP A 64 4.322 13.895 -5.080 1.00 0.00 C ATOM 887 C ASP A 64 3.262 14.760 -4.405 1.00 0.00 C ATOM 888 O ASP A 64 3.549 15.867 -3.952 1.00 0.00 O ATOM 889 CB ASP A 64 4.624 14.436 -6.480 1.00 0.00 C ATOM 890 CG ASP A 64 5.791 15.403 -6.486 1.00 0.00 C ATOM 891 OD1 ASP A 64 5.648 16.502 -7.063 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.847 15.064 -5.913 1.00 0.00 O ATOM 0 H ASP A 64 3.825 12.136 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 64 5.231 13.932 -4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.842 13.604 -7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.739 14.937 -6.872 1.00 0.00 H new ATOM 896 N GLN A 65 2.038 14.246 -4.343 1.00 0.00 N ATOM 897 CA GLN A 65 0.936 14.973 -3.725 1.00 0.00 C ATOM 898 C GLN A 65 1.317 15.458 -2.330 1.00 0.00 C ATOM 899 O GLN A 65 0.840 16.495 -1.870 1.00 0.00 O ATOM 900 CB GLN A 65 -0.308 14.086 -3.646 1.00 0.00 C ATOM 901 CG GLN A 65 -0.369 13.234 -2.389 1.00 0.00 C ATOM 902 CD GLN A 65 -1.658 12.444 -2.281 1.00 0.00 C ATOM 903 OE1 GLN A 65 -2.715 12.997 -1.978 1.00 0.00 O ATOM 904 NE2 GLN A 65 -1.577 11.141 -2.529 1.00 0.00 N ATOM 0 H GLN A 65 1.785 13.330 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 65 0.716 15.842 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.196 14.716 -3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.335 13.434 -4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.476 12.546 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.267 13.876 -1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.680 10.724 -2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.412 10.558 -2.472 1.00 0.00 H new ATOM 911 N ASP A 66 2.181 14.701 -1.663 1.00 0.00 N ATOM 912 CA ASP A 66 2.629 15.054 -0.320 1.00 0.00 C ATOM 913 C ASP A 66 3.714 14.096 0.161 1.00 0.00 C ATOM 914 O ASP A 66 4.574 14.465 0.958 1.00 0.00 O ATOM 915 CB ASP A 66 1.449 15.039 0.654 1.00 0.00 C ATOM 916 CG ASP A 66 1.121 16.419 1.188 1.00 0.00 C ATOM 917 OD1 ASP A 66 1.416 17.412 0.489 1.00 0.00 O ATOM 918 OD2 ASP A 66 0.569 16.508 2.305 1.00 0.00 O ATOM 0 H ASP A 66 2.585 13.839 -2.030 1.00 0.00 H new ATOM 0 HA ASP A 66 3.048 16.060 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.573 14.629 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.678 14.375 1.488 1.00 0.00 H new ATOM 922 N GLY A 67 3.665 12.860 -0.329 1.00 0.00 N ATOM 923 CA GLY A 67 4.648 11.867 0.063 1.00 0.00 C ATOM 924 C GLY A 67 4.034 10.715 0.831 1.00 0.00 C ATOM 925 O GLY A 67 4.685 9.694 1.058 1.00 0.00 O ATOM 0 H GLY A 67 2.962 12.529 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.146 11.482 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.414 12.341 0.676 1.00 0.00 H new ATOM 929 N ARG A 68 2.778 10.876 1.232 1.00 0.00 N ATOM 930 CA ARG A 68 2.076 9.840 1.981 1.00 0.00 C ATOM 931 C ARG A 68 1.579 8.738 1.051 1.00 0.00 C ATOM 932 O ARG A 68 1.860 8.751 -0.147 1.00 0.00 O ATOM 933 CB ARG A 68 0.898 10.445 2.748 1.00 0.00 C ATOM 934 CG ARG A 68 1.198 11.809 3.349 1.00 0.00 C ATOM 935 CD ARG A 68 0.667 11.920 4.770 1.00 0.00 C ATOM 936 NE ARG A 68 1.543 12.720 5.620 1.00 0.00 N ATOM 937 CZ ARG A 68 2.733 12.308 6.044 1.00 0.00 C ATOM 938 NH1 ARG A 68 3.187 11.112 5.695 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.473 13.095 6.816 1.00 0.00 N ATOM 0 H ARG A 68 2.225 11.714 1.051 1.00 0.00 H new ATOM 0 HA ARG A 68 2.777 9.402 2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.045 10.533 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.606 9.762 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.275 11.980 3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.751 12.587 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.327 12.367 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.560 10.922 5.196 1.00 0.00 H new ATOM 0 HE ARG A 68 1.224 13.646 5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.622 10.506 5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.101 10.798 6.022 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.128 14.017 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.386 12.778 7.141 1.00 0.00 H new ATOM 950 N ILE A 69 0.839 7.787 1.611 1.00 0.00 N ATOM 951 CA ILE A 69 0.303 6.677 0.832 1.00 0.00 C ATOM 952 C ILE A 69 -1.070 6.260 1.343 1.00 0.00 C ATOM 953 O ILE A 69 -1.192 5.660 2.411 1.00 0.00 O ATOM 954 CB ILE A 69 1.244 5.458 0.867 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.602 5.817 0.260 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.619 4.286 0.125 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.669 4.772 0.507 1.00 0.00 C ATOM 0 H ILE A 69 0.597 7.763 2.602 1.00 0.00 H new ATOM 0 HA ILE A 69 0.214 7.027 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 69 1.398 5.165 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.485 5.958 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.935 6.769 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.295 3.432 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.326 4.019 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.439 4.566 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.605 5.092 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.814 4.647 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.357 3.823 0.070 1.00 0.00 H new ATOM 968 N SER A 70 -2.106 6.582 0.572 1.00 0.00 N ATOM 969 CA SER A 70 -3.473 6.241 0.949 1.00 0.00 C ATOM 970 C SER A 70 -3.773 4.778 0.636 1.00 0.00 C ATOM 971 O SER A 70 -3.145 4.175 -0.232 1.00 0.00 O ATOM 972 CB SER A 70 -4.465 7.145 0.214 1.00 0.00 C ATOM 973 OG SER A 70 -3.895 7.671 -0.972 1.00 0.00 O ATOM 0 H SER A 70 -2.024 7.078 -0.316 1.00 0.00 H new ATOM 0 HA SER A 70 -3.578 6.394 2.023 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.364 6.580 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.770 7.962 0.868 1.00 0.00 H new ATOM 0 HG SER A 70 -3.490 8.543 -0.781 1.00 0.00 H new ATOM 978 N PHE A 71 -4.741 4.215 1.353 1.00 0.00 N ATOM 979 CA PHE A 71 -5.126 2.822 1.155 1.00 0.00 C ATOM 980 C PHE A 71 -5.307 2.514 -0.328 1.00 0.00 C ATOM 981 O PHE A 71 -4.933 1.440 -0.800 1.00 0.00 O ATOM 982 CB PHE A 71 -6.419 2.516 1.914 1.00 0.00 C ATOM 983 CG PHE A 71 -6.711 1.047 2.033 1.00 0.00 C ATOM 984 CD1 PHE A 71 -8.016 0.582 2.009 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.680 0.132 2.170 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.288 -0.769 2.118 1.00 0.00 C ATOM 987 CE2 PHE A 71 -5.945 -1.220 2.279 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.251 -1.671 2.254 1.00 0.00 C ATOM 0 H PHE A 71 -5.272 4.701 2.075 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.327 2.191 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.355 2.948 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.252 3.004 1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.830 1.283 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.658 0.479 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.310 -1.119 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.132 -1.923 2.384 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.460 -2.727 2.341 1.00 0.00 H new ATOM 997 N ASP A 72 -5.886 3.462 -1.057 1.00 0.00 N ATOM 998 CA ASP A 72 -6.117 3.294 -2.486 1.00 0.00 C ATOM 999 C ASP A 72 -4.832 2.888 -3.201 1.00 0.00 C ATOM 1000 O ASP A 72 -4.801 1.897 -3.929 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.667 4.586 -3.092 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.540 4.618 -4.603 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -6.675 3.548 -5.232 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -6.305 5.712 -5.155 1.00 0.00 O ATOM 0 H ASP A 72 -6.204 4.355 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.851 2.499 -2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.716 4.695 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.135 5.438 -2.668 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.773 3.663 -2.988 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.485 3.386 -3.614 1.00 0.00 C ATOM 1010 C GLU A 73 -1.992 1.990 -3.248 1.00 0.00 C ATOM 1011 O GLU A 73 -1.564 1.223 -4.112 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.451 4.432 -3.191 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.150 5.461 -4.267 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.027 6.693 -4.156 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.966 6.828 -4.969 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -1.775 7.524 -3.257 1.00 0.00 O ATOM 0 H GLU A 73 -3.781 4.487 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.617 3.434 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.810 4.946 -2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.526 3.925 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.103 5.757 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.290 5.007 -5.248 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.055 1.665 -1.961 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.613 0.361 -1.479 1.00 0.00 C ATOM 1023 C PHE A 74 -2.273 -0.764 -2.272 1.00 0.00 C ATOM 1024 O PHE A 74 -1.597 -1.668 -2.764 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.935 0.208 0.009 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.712 -1.183 0.531 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.641 -2.183 0.295 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.573 -1.489 1.258 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.438 -3.464 0.773 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.364 -2.768 1.738 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.299 -3.756 1.497 1.00 0.00 C ATOM 0 H PHE A 74 -2.408 2.286 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.534 0.296 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.320 0.904 0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.975 0.489 0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.534 -1.959 -0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.160 -0.720 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.169 -4.235 0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.529 -2.995 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.139 -4.755 1.874 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.594 -0.700 -2.390 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.345 -1.712 -3.122 1.00 0.00 C ATOM 1042 C ILE A 75 -3.865 -1.814 -4.567 1.00 0.00 C ATOM 1043 O ILE A 75 -3.419 -2.872 -5.013 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.855 -1.409 -3.116 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.383 -1.371 -1.680 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.607 -2.446 -3.936 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.156 -2.659 -0.920 1.00 0.00 C ATOM 0 H ILE A 75 -4.167 0.042 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.172 -2.661 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.017 -0.431 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.900 -0.553 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.451 -1.153 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.673 -2.218 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.246 -2.429 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.442 -3.436 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.555 -2.561 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.662 -3.478 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.087 -2.868 -0.869 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.957 -0.706 -5.294 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.529 -0.667 -6.688 1.00 0.00 C ATOM 1060 C LYS A 76 -2.116 -1.221 -6.839 1.00 0.00 C ATOM 1061 O LYS A 76 -1.782 -1.827 -7.858 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.587 0.766 -7.222 1.00 0.00 C ATOM 1063 CG LYS A 76 -4.038 0.858 -8.669 1.00 0.00 C ATOM 1064 CD LYS A 76 -5.310 1.678 -8.806 1.00 0.00 C ATOM 1065 CE LYS A 76 -6.533 0.886 -8.369 1.00 0.00 C ATOM 1066 NZ LYS A 76 -6.709 -0.354 -9.175 1.00 0.00 N ATOM 0 H LYS A 76 -4.324 0.178 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.209 -1.291 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.267 1.349 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.601 1.220 -7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.247 1.308 -9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.206 -0.144 -9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.227 2.583 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.431 1.994 -9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.438 0.624 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.422 1.510 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.696 -0.423 -9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.079 -0.323 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.475 -1.183 -8.592 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.290 -1.008 -5.820 1.00 0.00 N ATOM 1077 CA ILE A 77 0.086 -1.488 -5.839 1.00 0.00 C ATOM 1078 C ILE A 77 0.142 -3.004 -5.682 1.00 0.00 C ATOM 1079 O ILE A 77 0.893 -3.684 -6.381 1.00 0.00 O ATOM 1080 CB ILE A 77 0.925 -0.837 -4.724 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.111 0.656 -5.002 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.274 -1.530 -4.602 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.301 1.485 -3.750 1.00 0.00 C ATOM 0 H ILE A 77 -1.550 -0.506 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 77 0.504 -1.209 -6.807 1.00 0.00 H new ATOM 0 HB ILE A 77 0.394 -0.949 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.975 0.791 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.242 1.027 -5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.855 -1.058 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.122 -2.583 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.813 -1.446 -5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.427 2.533 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.427 1.380 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.187 1.140 -3.216 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.659 -3.529 -4.760 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.701 -4.964 -4.511 1.00 0.00 C ATOM 1096 C PHE A 78 -1.247 -5.711 -5.725 1.00 0.00 C ATOM 1097 O PHE A 78 -0.640 -6.669 -6.203 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.564 -5.266 -3.284 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.508 -6.702 -2.851 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -2.674 -7.419 -2.631 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -0.291 -7.336 -2.661 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -2.627 -8.742 -2.233 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -0.238 -8.659 -2.263 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.407 -9.362 -2.047 1.00 0.00 C ATOM 0 H PHE A 78 -1.288 -2.981 -4.173 1.00 0.00 H new ATOM 0 HA PHE A 78 0.317 -5.304 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.241 -4.633 -2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.598 -5.001 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.631 -6.938 -2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.627 -6.791 -2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.543 -9.290 -2.068 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.717 -9.143 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.367 -10.395 -1.733 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.398 -5.264 -6.219 1.00 0.00 N ATOM 1114 CA HIS A 79 -3.027 -5.889 -7.377 1.00 0.00 C ATOM 1115 C HIS A 79 -2.195 -5.663 -8.635 1.00 0.00 C ATOM 1116 O HIS A 79 -2.133 -6.521 -9.514 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.438 -5.335 -7.579 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.513 -6.367 -7.430 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.922 -7.070 -6.347 1.00 0.00 N flip ATOM 1120 CD2 HIS A 79 -6.307 -6.783 -8.476 1.00 0.00 C flip ATOM 1121 CE1 HIS A 79 -6.946 -7.888 -6.756 1.00 0.00 C flip ATOM 1122 NE2 HIS A 79 -7.160 -7.695 -8.045 1.00 0.00 N flip ATOM 0 H HIS A 79 -2.913 -4.472 -5.835 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.089 -6.961 -7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.612 -4.535 -6.860 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.507 -4.891 -8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.242 -6.420 -9.491 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.488 -8.577 -6.126 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.864 -8.169 -8.611 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.555 -4.499 -8.714 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.736 -4.181 -9.870 1.00 0.00 C ATOM 1131 C GLY A 80 -1.507 -4.271 -11.171 1.00 0.00 C ATOM 1132 O GLY A 80 -1.001 -4.787 -12.168 1.00 0.00 O ATOM 0 H GLY A 80 -1.589 -3.772 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.333 -3.174 -9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.114 -4.862 -9.907 1.00 0.00 H new ATOM 1136 N LEU A 81 -2.738 -3.769 -11.163 1.00 0.00 N ATOM 1137 CA LEU A 81 -3.583 -3.797 -12.352 1.00 0.00 C ATOM 1138 C LEU A 81 -4.382 -2.505 -12.482 1.00 0.00 C ATOM 1139 O LEU A 81 -5.057 -2.082 -11.543 1.00 0.00 O ATOM 1140 CB LEU A 81 -4.533 -4.995 -12.298 1.00 0.00 C ATOM 1141 CG LEU A 81 -3.903 -6.364 -12.554 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -4.471 -7.401 -11.598 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -4.123 -6.790 -13.998 1.00 0.00 C ATOM 0 H LEU A 81 -3.172 -3.338 -10.347 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.937 -3.892 -13.225 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.007 -5.013 -11.317 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.324 -4.839 -13.031 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.830 -6.287 -12.378 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.010 -8.369 -11.796 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.261 -7.102 -10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.549 -7.476 -11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.668 -7.767 -14.163 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.192 -6.849 -14.201 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.667 -6.060 -14.666 1.00 0.00 H new ATOM 1154 N LYS A 82 -4.303 -1.881 -13.652 1.00 0.00 N ATOM 1155 CA LYS A 82 -5.021 -0.638 -13.909 1.00 0.00 C ATOM 1156 C LYS A 82 -6.320 -0.906 -14.661 1.00 0.00 C ATOM 1157 O LYS A 82 -7.411 -0.746 -14.111 1.00 0.00 O ATOM 1158 CB LYS A 82 -4.144 0.325 -14.711 1.00 0.00 C ATOM 1159 CG LYS A 82 -2.730 0.455 -14.171 1.00 0.00 C ATOM 1160 CD LYS A 82 -1.773 -0.488 -14.882 1.00 0.00 C ATOM 1161 CE LYS A 82 -0.749 -1.071 -13.922 1.00 0.00 C ATOM 1162 NZ LYS A 82 0.054 -0.009 -13.255 1.00 0.00 N ATOM 0 H LYS A 82 -3.748 -2.216 -14.439 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.265 -0.183 -12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.099 -0.015 -15.746 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.613 1.309 -14.719 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.387 1.482 -14.291 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.726 0.241 -13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.336 -1.296 -15.349 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.260 0.047 -15.682 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.259 -1.669 -13.167 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.084 -1.742 -14.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.827 -0.446 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.452 0.629 -13.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.555 0.533 -12.610 1.00 0.00 H new TER 1172 LYS A 82