USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1109 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 105 HIS : no HE2:sc= 0.63 K(o=-2.1,f=-6.9!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ 178:sc= -2.72! (180deg=-2.64!) USER MOD Set 2.1: A 61 HIS : no HD1:sc= -2.82 K(o=-3.1,f=-5.3!) USER MOD Set 2.2: A 98 SER OG : rot 180:sc= -0.329 USER MOD Set 3.1: A 14 LYS NZ :NH3+ -119:sc= -0.502 (180deg=-1.4) USER MOD Set 3.2: A 57 GLN : amide:sc=0.000558 K(o=-0.5,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.085 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -150:sc= 0 (180deg=-1.35) USER MOD Single : A 15 SER OG : rot -107:sc= 0.627 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 20 ASN : amide:sc= -2.33! C(o=-2.3!,f=-3.1!) USER MOD Single : A 24 SER OG : rot 72:sc= 0.876 USER MOD Single : A 25 GLN : amide:sc= -0.0989 K(o=-0.099,f=-0.81) USER MOD Single : A 26 GLN : amide:sc= -0.0729 X(o=-0.073,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 0.0644 (180deg=0) USER MOD Single : A 31 SER OG : rot 70:sc= -0.961 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -7.29! C(o=-7.3!,f=-8.4!) USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= -0.0111 (180deg=-0.0309) USER MOD Single : A 41 ASN : amide:sc= -9.5! C(o=-9.5!,f=-21!) USER MOD Single : A 47 SER OG : rot -97:sc= 0.173 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.75 K(o=-3.8,f=-5.1!) USER MOD Single : A 66 SER OG : rot -144:sc= 0.0205 USER MOD Single : A 68 MET CE :methyl -177:sc= -1.54 (180deg=-1.57) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -122:sc= 0.359 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0794 USER MOD Single : A 78 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.5!) USER MOD Single : A 106 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-7.7!) USER MOD Single : A 109 ASN : amide:sc= -0.407 K(o=-0.41,f=-3.7) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -3.11! C(o=-3.1!,f=-3.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -3.24! C(o=-3.2!,f=-5.3!) USER MOD Single : A 120 SER OG : rot 28:sc= 0.00831 USER MOD Single : A 124 GLN : amide:sc=-0.00166 X(o=-0.0017,f=-0.044) USER MOD Single : A 129 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.06) USER MOD Single : A 133 GLN : amide:sc= -2.45 X(o=-2.5,f=-2.2) USER MOD Single : A 136 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.434 -20.417 7.815 1.00 0.00 N ATOM 2 CA GLY A 1 -26.188 -20.065 8.472 1.00 0.00 C ATOM 3 C GLY A 1 -25.954 -18.568 8.508 1.00 0.00 C ATOM 4 O GLY A 1 -26.805 -17.789 8.077 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.010 -21.003 8.453 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.957 -19.551 7.575 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.230 -20.950 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.196 -20.453 9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.359 -20.547 7.954 1.00 0.00 H new ATOM 8 N SER A 2 -24.799 -18.164 9.025 1.00 0.00 N ATOM 9 CA SER A 2 -24.458 -16.749 9.121 1.00 0.00 C ATOM 10 C SER A 2 -23.443 -16.361 8.050 1.00 0.00 C ATOM 11 O SER A 2 -22.567 -17.149 7.694 1.00 0.00 O ATOM 12 CB SER A 2 -23.898 -16.431 10.509 1.00 0.00 C ATOM 13 OG SER A 2 -22.635 -17.044 10.702 1.00 0.00 O ATOM 0 H SER A 2 -24.083 -18.796 9.384 1.00 0.00 H new ATOM 0 HA SER A 2 -25.368 -16.170 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.804 -15.352 10.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.594 -16.776 11.273 1.00 0.00 H new ATOM 0 HG SER A 2 -22.298 -16.824 11.596 1.00 0.00 H new ATOM 19 N SER A 3 -23.569 -15.140 7.540 1.00 0.00 N ATOM 20 CA SER A 3 -22.666 -14.647 6.506 1.00 0.00 C ATOM 21 C SER A 3 -21.600 -13.735 7.106 1.00 0.00 C ATOM 22 O SER A 3 -20.416 -13.856 6.794 1.00 0.00 O ATOM 23 CB SER A 3 -23.451 -13.894 5.430 1.00 0.00 C ATOM 24 OG SER A 3 -22.579 -13.229 4.534 1.00 0.00 O ATOM 0 H SER A 3 -24.287 -14.474 7.826 1.00 0.00 H new ATOM 0 HA SER A 3 -22.171 -15.505 6.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.080 -14.593 4.879 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.116 -13.169 5.900 1.00 0.00 H new ATOM 0 HG SER A 3 -23.105 -12.757 3.855 1.00 0.00 H new ATOM 30 N GLY A 4 -22.031 -12.820 7.970 1.00 0.00 N ATOM 31 CA GLY A 4 -21.102 -11.900 8.600 1.00 0.00 C ATOM 32 C GLY A 4 -20.702 -10.761 7.683 1.00 0.00 C ATOM 33 O GLY A 4 -21.556 -10.034 7.176 1.00 0.00 O ATOM 0 H GLY A 4 -23.006 -12.700 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.555 -11.493 9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.210 -12.444 8.909 1.00 0.00 H new ATOM 37 N SER A 5 -19.399 -10.605 7.471 1.00 0.00 N ATOM 38 CA SER A 5 -18.887 -9.542 6.613 1.00 0.00 C ATOM 39 C SER A 5 -17.482 -9.874 6.118 1.00 0.00 C ATOM 40 O SER A 5 -16.672 -10.440 6.851 1.00 0.00 O ATOM 41 CB SER A 5 -18.874 -8.211 7.367 1.00 0.00 C ATOM 42 OG SER A 5 -18.133 -8.313 8.570 1.00 0.00 O ATOM 0 H SER A 5 -18.679 -11.200 7.881 1.00 0.00 H new ATOM 0 HA SER A 5 -19.547 -9.455 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.442 -7.436 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.896 -7.906 7.591 1.00 0.00 H new ATOM 0 HG SER A 5 -18.139 -7.449 9.032 1.00 0.00 H new ATOM 48 N SER A 6 -17.202 -9.515 4.870 1.00 0.00 N ATOM 49 CA SER A 6 -15.897 -9.777 4.274 1.00 0.00 C ATOM 50 C SER A 6 -15.549 -8.712 3.238 1.00 0.00 C ATOM 51 O SER A 6 -16.404 -8.274 2.471 1.00 0.00 O ATOM 52 CB SER A 6 -15.877 -11.162 3.625 1.00 0.00 C ATOM 53 OG SER A 6 -16.586 -11.160 2.397 1.00 0.00 O ATOM 0 H SER A 6 -17.861 -9.042 4.252 1.00 0.00 H new ATOM 0 HA SER A 6 -15.150 -9.745 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.846 -11.472 3.453 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.320 -11.891 4.303 1.00 0.00 H new ATOM 0 HG SER A 6 -16.557 -12.056 2.001 1.00 0.00 H new ATOM 59 N GLY A 7 -14.284 -8.301 3.223 1.00 0.00 N ATOM 60 CA GLY A 7 -13.844 -7.291 2.278 1.00 0.00 C ATOM 61 C GLY A 7 -12.355 -7.024 2.368 1.00 0.00 C ATOM 62 O GLY A 7 -11.722 -7.325 3.380 1.00 0.00 O ATOM 0 H GLY A 7 -13.557 -8.649 3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.092 -7.612 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.388 -6.364 2.461 1.00 0.00 H new ATOM 66 N VAL A 8 -11.792 -6.458 1.305 1.00 0.00 N ATOM 67 CA VAL A 8 -10.367 -6.150 1.267 1.00 0.00 C ATOM 68 C VAL A 8 -10.060 -4.872 2.040 1.00 0.00 C ATOM 69 O VAL A 8 -10.874 -3.950 2.083 1.00 0.00 O ATOM 70 CB VAL A 8 -9.864 -5.995 -0.181 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.829 -5.145 -0.993 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.467 -5.394 -0.198 1.00 0.00 C ATOM 0 H VAL A 8 -12.301 -6.203 0.459 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.850 -6.987 1.735 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.815 -6.983 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.457 -5.046 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.809 -5.622 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.913 -4.157 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.127 -5.292 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.487 -4.413 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.784 -6.046 0.346 1.00 0.00 H new ATOM 82 N ARG A 9 -8.879 -4.824 2.648 1.00 0.00 N ATOM 83 CA ARG A 9 -8.464 -3.659 3.420 1.00 0.00 C ATOM 84 C ARG A 9 -7.494 -2.795 2.620 1.00 0.00 C ATOM 85 O ARG A 9 -7.066 -3.171 1.529 1.00 0.00 O ATOM 86 CB ARG A 9 -7.811 -4.097 4.732 1.00 0.00 C ATOM 87 CG ARG A 9 -8.014 -3.111 5.872 1.00 0.00 C ATOM 88 CD ARG A 9 -8.111 -3.822 7.212 1.00 0.00 C ATOM 89 NE ARG A 9 -9.489 -4.165 7.552 1.00 0.00 N ATOM 90 CZ ARG A 9 -9.858 -4.638 8.737 1.00 0.00 C ATOM 91 NH1 ARG A 9 -8.956 -4.823 9.691 1.00 0.00 N ATOM 92 NH2 ARG A 9 -11.133 -4.927 8.969 1.00 0.00 N ATOM 0 H ARG A 9 -8.193 -5.578 2.621 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.351 -3.067 3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.216 -5.066 5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.742 -4.235 4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.186 -2.403 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.922 -2.534 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.508 -4.730 7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.693 -3.185 7.991 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.208 -4.034 6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.976 -4.602 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.242 -5.186 10.600 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.829 -4.786 8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.416 -5.290 9.879 1.00 0.00 H new ATOM 106 N TYR A 10 -7.152 -1.635 3.171 1.00 0.00 N ATOM 107 CA TYR A 10 -6.235 -0.716 2.508 1.00 0.00 C ATOM 108 C TYR A 10 -5.219 -0.152 3.497 1.00 0.00 C ATOM 109 O TYR A 10 -5.543 0.113 4.655 1.00 0.00 O ATOM 110 CB TYR A 10 -7.011 0.426 1.850 1.00 0.00 C ATOM 111 CG TYR A 10 -8.022 -0.040 0.827 1.00 0.00 C ATOM 112 CD1 TYR A 10 -9.182 -0.698 1.217 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.818 0.179 -0.530 1.00 0.00 C ATOM 114 CE1 TYR A 10 -10.108 -1.126 0.286 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.740 -0.244 -1.468 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.883 -0.896 -1.055 1.00 0.00 C ATOM 117 OH TYR A 10 -10.804 -1.320 -1.986 1.00 0.00 O ATOM 0 H TYR A 10 -7.496 -1.310 4.074 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.697 -1.271 1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.525 0.997 2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.306 1.104 1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.363 -0.878 2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.924 0.688 -0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.003 -1.638 0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.567 -0.065 -2.519 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.495 -1.079 -2.884 1.00 0.00 H new ATOM 127 N PHE A 11 -3.988 0.031 3.031 1.00 0.00 N ATOM 128 CA PHE A 11 -2.923 0.563 3.873 1.00 0.00 C ATOM 129 C PHE A 11 -1.937 1.386 3.049 1.00 0.00 C ATOM 130 O PHE A 11 -1.513 0.967 1.971 1.00 0.00 O ATOM 131 CB PHE A 11 -2.187 -0.575 4.582 1.00 0.00 C ATOM 132 CG PHE A 11 -3.090 -1.459 5.394 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.655 -1.000 6.573 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.375 -2.750 4.978 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.487 -1.811 7.322 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.206 -3.565 5.723 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.762 -3.095 6.897 1.00 0.00 C ATOM 0 H PHE A 11 -3.703 -0.181 2.075 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.377 1.214 4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.671 -1.182 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.423 -0.152 5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.443 0.004 6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.943 -3.123 4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.921 -1.440 8.239 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.421 -4.569 5.388 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.411 -3.731 7.481 1.00 0.00 H new ATOM 147 N ILE A 12 -1.578 2.557 3.563 1.00 0.00 N ATOM 148 CA ILE A 12 -0.642 3.438 2.875 1.00 0.00 C ATOM 149 C ILE A 12 0.792 3.170 3.318 1.00 0.00 C ATOM 150 O ILE A 12 1.180 3.507 4.437 1.00 0.00 O ATOM 151 CB ILE A 12 -0.977 4.920 3.125 1.00 0.00 C ATOM 152 CG1 ILE A 12 -2.281 5.297 2.419 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.164 5.808 2.651 1.00 0.00 C ATOM 154 CD1 ILE A 12 -2.165 5.328 0.911 1.00 0.00 C ATOM 0 H ILE A 12 -1.921 2.918 4.453 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.735 3.228 1.810 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.109 5.072 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.056 4.585 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.605 6.277 2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.088 6.853 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.074 5.553 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.325 5.655 1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.127 5.602 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.413 6.061 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.872 4.343 0.548 1.00 0.00 H new ATOM 166 N MET A 13 1.576 2.563 2.433 1.00 0.00 N ATOM 167 CA MET A 13 2.969 2.253 2.733 1.00 0.00 C ATOM 168 C MET A 13 3.907 3.215 2.011 1.00 0.00 C ATOM 169 O MET A 13 3.882 3.321 0.785 1.00 0.00 O ATOM 170 CB MET A 13 3.291 0.812 2.332 1.00 0.00 C ATOM 171 CG MET A 13 2.154 -0.161 2.599 1.00 0.00 C ATOM 172 SD MET A 13 1.302 0.175 4.152 1.00 0.00 S ATOM 173 CE MET A 13 2.538 -0.352 5.337 1.00 0.00 C ATOM 0 H MET A 13 1.271 2.276 1.503 1.00 0.00 H new ATOM 0 HA MET A 13 3.117 2.365 3.807 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.539 0.786 1.271 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.176 0.481 2.875 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.438 -0.111 1.778 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.548 -1.177 2.618 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.046 -0.714 6.239 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.138 -1.153 4.905 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.183 0.490 5.589 1.00 0.00 H new ATOM 183 N LYS A 14 4.735 3.915 2.779 1.00 0.00 N ATOM 184 CA LYS A 14 5.683 4.868 2.214 1.00 0.00 C ATOM 185 C LYS A 14 7.050 4.222 2.012 1.00 0.00 C ATOM 186 O LYS A 14 7.415 3.285 2.722 1.00 0.00 O ATOM 187 CB LYS A 14 5.814 6.090 3.126 1.00 0.00 C ATOM 188 CG LYS A 14 4.481 6.710 3.508 1.00 0.00 C ATOM 189 CD LYS A 14 3.857 7.454 2.340 1.00 0.00 C ATOM 190 CE LYS A 14 4.282 8.914 2.317 1.00 0.00 C ATOM 191 NZ LYS A 14 5.519 9.119 1.513 1.00 0.00 N ATOM 0 H LYS A 14 4.769 3.840 3.796 1.00 0.00 H new ATOM 0 HA LYS A 14 5.304 5.186 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.344 5.800 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.425 6.842 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.800 5.930 3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.624 7.396 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.148 6.975 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.771 7.391 2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.476 9.520 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.450 9.259 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.269 9.504 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.829 8.210 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.324 9.787 0.740 1.00 0.00 H new ATOM 205 N SER A 15 7.802 4.729 1.041 1.00 0.00 N ATOM 206 CA SER A 15 9.128 4.200 0.745 1.00 0.00 C ATOM 207 C SER A 15 10.154 5.325 0.649 1.00 0.00 C ATOM 208 O SER A 15 9.875 6.388 0.094 1.00 0.00 O ATOM 209 CB SER A 15 9.103 3.405 -0.562 1.00 0.00 C ATOM 210 OG SER A 15 10.374 2.845 -0.843 1.00 0.00 O ATOM 0 H SER A 15 7.516 5.506 0.445 1.00 0.00 H new ATOM 0 HA SER A 15 9.417 3.537 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.359 2.611 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.800 4.056 -1.382 1.00 0.00 H new ATOM 0 HG SER A 15 10.790 3.334 -1.583 1.00 0.00 H new ATOM 216 N SER A 16 11.341 5.083 1.195 1.00 0.00 N ATOM 217 CA SER A 16 12.409 6.076 1.175 1.00 0.00 C ATOM 218 C SER A 16 12.686 6.548 -0.249 1.00 0.00 C ATOM 219 O SER A 16 12.568 7.733 -0.556 1.00 0.00 O ATOM 220 CB SER A 16 13.684 5.498 1.790 1.00 0.00 C ATOM 221 OG SER A 16 13.699 5.676 3.196 1.00 0.00 O ATOM 0 H SER A 16 11.588 4.208 1.657 1.00 0.00 H new ATOM 0 HA SER A 16 12.085 6.933 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.756 4.436 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.556 5.982 1.350 1.00 0.00 H new ATOM 0 HG SER A 16 14.524 5.296 3.565 1.00 0.00 H new ATOM 227 N ASN A 17 13.054 5.609 -1.115 1.00 0.00 N ATOM 228 CA ASN A 17 13.349 5.927 -2.508 1.00 0.00 C ATOM 229 C ASN A 17 12.608 4.983 -3.450 1.00 0.00 C ATOM 230 O ASN A 17 11.932 4.053 -3.009 1.00 0.00 O ATOM 231 CB ASN A 17 14.855 5.843 -2.764 1.00 0.00 C ATOM 232 CG ASN A 17 15.627 6.927 -2.037 1.00 0.00 C ATOM 233 OD1 ASN A 17 15.324 8.113 -2.168 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.630 6.524 -1.267 1.00 0.00 N ATOM 0 H ASN A 17 13.155 4.622 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 17 13.011 6.945 -2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.221 4.866 -2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.044 5.922 -3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.186 7.208 -0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.845 5.530 -1.188 1.00 0.00 H new ATOM 241 N LEU A 18 12.739 5.229 -4.749 1.00 0.00 N ATOM 242 CA LEU A 18 12.083 4.401 -5.755 1.00 0.00 C ATOM 243 C LEU A 18 12.744 3.030 -5.846 1.00 0.00 C ATOM 244 O LEU A 18 12.071 2.001 -5.789 1.00 0.00 O ATOM 245 CB LEU A 18 12.125 5.093 -7.119 1.00 0.00 C ATOM 246 CG LEU A 18 11.127 4.584 -8.160 1.00 0.00 C ATOM 247 CD1 LEU A 18 10.749 3.138 -7.875 1.00 0.00 C ATOM 248 CD2 LEU A 18 9.887 5.466 -8.186 1.00 0.00 C ATOM 0 H LEU A 18 13.294 5.995 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 18 11.044 4.263 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.952 6.159 -6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.130 4.988 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 18 11.600 4.628 -9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.038 2.793 -8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.643 2.515 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.295 3.069 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.188 5.089 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.412 5.455 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.172 6.487 -8.439 1.00 0.00 H new ATOM 260 N ARG A 19 14.065 3.023 -5.987 1.00 0.00 N ATOM 261 CA ARG A 19 14.817 1.778 -6.086 1.00 0.00 C ATOM 262 C ARG A 19 14.275 0.737 -5.111 1.00 0.00 C ATOM 263 O ARG A 19 13.808 -0.326 -5.518 1.00 0.00 O ATOM 264 CB ARG A 19 16.300 2.030 -5.808 1.00 0.00 C ATOM 265 CG ARG A 19 17.111 0.756 -5.632 1.00 0.00 C ATOM 266 CD ARG A 19 17.162 -0.054 -6.918 1.00 0.00 C ATOM 267 NE ARG A 19 18.401 -0.819 -7.034 1.00 0.00 N ATOM 268 CZ ARG A 19 18.895 -1.246 -8.191 1.00 0.00 C ATOM 269 NH1 ARG A 19 18.259 -0.984 -9.325 1.00 0.00 N ATOM 270 NH2 ARG A 19 20.027 -1.937 -8.215 1.00 0.00 N ATOM 0 H ARG A 19 14.637 3.866 -6.035 1.00 0.00 H new ATOM 0 HA ARG A 19 14.705 1.394 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.722 2.609 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.394 2.638 -4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.124 1.009 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.674 0.152 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.311 -0.735 -6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.068 0.616 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 19 18.915 -1.037 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.388 -0.453 -9.310 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.641 -1.313 -10.212 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.519 -2.141 -7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.406 -2.265 -9.104 1.00 0.00 H new ATOM 284 N ASN A 20 14.341 1.051 -3.821 1.00 0.00 N ATOM 285 CA ASN A 20 13.858 0.143 -2.788 1.00 0.00 C ATOM 286 C ASN A 20 12.579 -0.558 -3.234 1.00 0.00 C ATOM 287 O ASN A 20 12.342 -1.718 -2.893 1.00 0.00 O ATOM 288 CB ASN A 20 13.607 0.905 -1.485 1.00 0.00 C ATOM 289 CG ASN A 20 14.646 1.981 -1.236 1.00 0.00 C ATOM 290 OD1 ASN A 20 15.739 1.947 -1.802 1.00 0.00 O ATOM 291 ND2 ASN A 20 14.309 2.944 -0.385 1.00 0.00 N ATOM 0 H ASN A 20 14.724 1.927 -3.467 1.00 0.00 H new ATOM 0 HA ASN A 20 14.625 -0.612 -2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.617 1.360 -1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.607 0.203 -0.651 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.967 3.695 -0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.392 2.932 0.061 1.00 0.00 H new ATOM 298 N LEU A 21 11.758 0.152 -3.999 1.00 0.00 N ATOM 299 CA LEU A 21 10.502 -0.401 -4.494 1.00 0.00 C ATOM 300 C LEU A 21 10.755 -1.439 -5.582 1.00 0.00 C ATOM 301 O LEU A 21 10.134 -2.501 -5.597 1.00 0.00 O ATOM 302 CB LEU A 21 9.608 0.716 -5.036 1.00 0.00 C ATOM 303 CG LEU A 21 8.118 0.389 -5.146 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.470 0.382 -3.770 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.420 1.384 -6.061 1.00 0.00 C ATOM 0 H LEU A 21 11.939 1.113 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 21 9.996 -0.891 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.721 1.589 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.972 0.998 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 21 8.015 -0.606 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.410 0.148 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.952 -0.370 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.583 1.363 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.361 1.136 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.532 2.390 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.866 1.340 -7.055 1.00 0.00 H new ATOM 317 N GLU A 22 11.673 -1.123 -6.491 1.00 0.00 N ATOM 318 CA GLU A 22 12.009 -2.030 -7.583 1.00 0.00 C ATOM 319 C GLU A 22 12.133 -3.465 -7.079 1.00 0.00 C ATOM 320 O GLU A 22 11.536 -4.384 -7.641 1.00 0.00 O ATOM 321 CB GLU A 22 13.317 -1.597 -8.250 1.00 0.00 C ATOM 322 CG GLU A 22 13.153 -0.430 -9.209 1.00 0.00 C ATOM 323 CD GLU A 22 12.645 -0.860 -10.571 1.00 0.00 C ATOM 324 OE1 GLU A 22 11.455 -1.226 -10.672 1.00 0.00 O ATOM 325 OE2 GLU A 22 13.438 -0.831 -11.536 1.00 0.00 O ATOM 0 H GLU A 22 12.196 -0.247 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 22 11.204 -1.989 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.036 -1.324 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.737 -2.445 -8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.461 0.294 -8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.111 0.076 -9.326 1.00 0.00 H new ATOM 332 N ILE A 23 12.912 -3.649 -6.019 1.00 0.00 N ATOM 333 CA ILE A 23 13.114 -4.971 -5.440 1.00 0.00 C ATOM 334 C ILE A 23 11.792 -5.718 -5.300 1.00 0.00 C ATOM 335 O ILE A 23 11.711 -6.915 -5.577 1.00 0.00 O ATOM 336 CB ILE A 23 13.789 -4.884 -4.058 1.00 0.00 C ATOM 337 CG1 ILE A 23 15.236 -4.406 -4.202 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.738 -6.233 -3.357 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.359 -2.921 -4.459 1.00 0.00 C ATOM 0 H ILE A 23 13.414 -2.899 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 23 13.767 -5.516 -6.121 1.00 0.00 H new ATOM 0 HB ILE A 23 13.246 -4.160 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.785 -4.656 -3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.710 -4.949 -5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 23 14.219 -6.155 -2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.699 -6.536 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.259 -6.976 -3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.412 -2.653 -4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.839 -2.667 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.915 -2.370 -3.630 1.00 0.00 H new ATOM 351 N SER A 24 10.757 -5.003 -4.872 1.00 0.00 N ATOM 352 CA SER A 24 9.438 -5.598 -4.694 1.00 0.00 C ATOM 353 C SER A 24 8.845 -6.016 -6.036 1.00 0.00 C ATOM 354 O SER A 24 8.047 -6.950 -6.110 1.00 0.00 O ATOM 355 CB SER A 24 8.500 -4.612 -3.994 1.00 0.00 C ATOM 356 OG SER A 24 7.161 -5.076 -4.019 1.00 0.00 O ATOM 0 H SER A 24 10.806 -4.011 -4.642 1.00 0.00 H new ATOM 0 HA SER A 24 9.549 -6.487 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.820 -4.471 -2.962 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.560 -3.639 -4.482 1.00 0.00 H new ATOM 0 HG SER A 24 7.066 -5.835 -3.406 1.00 0.00 H new ATOM 362 N GLN A 25 9.241 -5.317 -7.094 1.00 0.00 N ATOM 363 CA GLN A 25 8.749 -5.614 -8.434 1.00 0.00 C ATOM 364 C GLN A 25 9.489 -6.805 -9.034 1.00 0.00 C ATOM 365 O GLN A 25 8.889 -7.646 -9.703 1.00 0.00 O ATOM 366 CB GLN A 25 8.905 -4.392 -9.341 1.00 0.00 C ATOM 367 CG GLN A 25 8.105 -3.185 -8.879 1.00 0.00 C ATOM 368 CD GLN A 25 8.017 -2.103 -9.937 1.00 0.00 C ATOM 369 OE1 GLN A 25 8.702 -2.161 -10.959 1.00 0.00 O ATOM 370 NE2 GLN A 25 7.171 -1.108 -9.698 1.00 0.00 N ATOM 0 H GLN A 25 9.901 -4.541 -7.050 1.00 0.00 H new ATOM 0 HA GLN A 25 7.692 -5.867 -8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.959 -4.120 -9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.595 -4.658 -10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.099 -3.504 -8.606 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.563 -2.772 -7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.623 -1.100 -8.838 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.069 -0.352 -10.375 1.00 0.00 H new ATOM 379 N GLN A 26 10.794 -6.869 -8.790 1.00 0.00 N ATOM 380 CA GLN A 26 11.615 -7.957 -9.308 1.00 0.00 C ATOM 381 C GLN A 26 11.484 -9.200 -8.434 1.00 0.00 C ATOM 382 O GLN A 26 11.109 -10.271 -8.912 1.00 0.00 O ATOM 383 CB GLN A 26 13.080 -7.525 -9.386 1.00 0.00 C ATOM 384 CG GLN A 26 13.264 -6.036 -9.631 1.00 0.00 C ATOM 385 CD GLN A 26 14.544 -5.721 -10.380 1.00 0.00 C ATOM 386 OE1 GLN A 26 15.432 -5.047 -9.858 1.00 0.00 O ATOM 387 NE2 GLN A 26 14.645 -6.209 -11.611 1.00 0.00 N ATOM 0 H GLN A 26 11.305 -6.181 -8.237 1.00 0.00 H new ATOM 0 HA GLN A 26 11.262 -8.201 -10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.580 -7.796 -8.456 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.571 -8.080 -10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.413 -5.657 -10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.269 -5.512 -8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.884 -6.763 -12.004 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.484 -6.030 -12.163 1.00 0.00 H new ATOM 396 N LYS A 27 11.798 -9.052 -7.152 1.00 0.00 N ATOM 397 CA LYS A 27 11.715 -10.162 -6.210 1.00 0.00 C ATOM 398 C LYS A 27 10.263 -10.556 -5.960 1.00 0.00 C ATOM 399 O LYS A 27 9.948 -11.735 -5.806 1.00 0.00 O ATOM 400 CB LYS A 27 12.388 -9.786 -4.888 1.00 0.00 C ATOM 401 CG LYS A 27 13.708 -9.056 -5.063 1.00 0.00 C ATOM 402 CD LYS A 27 14.711 -9.894 -5.837 1.00 0.00 C ATOM 403 CE LYS A 27 16.096 -9.264 -5.819 1.00 0.00 C ATOM 404 NZ LYS A 27 17.140 -10.206 -6.310 1.00 0.00 N ATOM 0 H LYS A 27 12.113 -8.173 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 27 12.234 -11.016 -6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.709 -9.159 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.558 -10.692 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.538 -8.115 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.119 -8.806 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.760 -10.894 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.375 -10.006 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.095 -8.367 -6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.339 -8.950 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.033 -10.028 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.834 -11.185 -6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.283 -10.064 -7.330 1.00 0.00 H new ATOM 418 N GLY A 28 9.382 -9.561 -5.922 1.00 0.00 N ATOM 419 CA GLY A 28 7.974 -9.825 -5.691 1.00 0.00 C ATOM 420 C GLY A 28 7.630 -9.891 -4.217 1.00 0.00 C ATOM 421 O GLY A 28 6.768 -10.669 -3.807 1.00 0.00 O ATOM 0 H GLY A 28 9.618 -8.577 -6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.379 -9.045 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.701 -10.767 -6.167 1.00 0.00 H new ATOM 425 N ILE A 29 8.306 -9.073 -3.416 1.00 0.00 N ATOM 426 CA ILE A 29 8.067 -9.042 -1.979 1.00 0.00 C ATOM 427 C ILE A 29 8.212 -7.628 -1.428 1.00 0.00 C ATOM 428 O ILE A 29 8.496 -6.688 -2.170 1.00 0.00 O ATOM 429 CB ILE A 29 9.035 -9.975 -1.227 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.435 -9.892 -1.838 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.521 -11.407 -1.258 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.203 -8.656 -1.424 1.00 0.00 C ATOM 0 H ILE A 29 9.023 -8.423 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 29 7.045 -9.388 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 29 9.093 -9.653 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.002 -10.776 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.350 -9.910 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.215 -12.055 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.542 -11.452 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.437 -11.741 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.186 -8.664 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.657 -7.766 -1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.320 -8.646 -0.340 1.00 0.00 H new ATOM 444 N TRP A 30 8.015 -7.484 -0.122 1.00 0.00 N ATOM 445 CA TRP A 30 8.125 -6.184 0.529 1.00 0.00 C ATOM 446 C TRP A 30 8.320 -6.343 2.033 1.00 0.00 C ATOM 447 O TRP A 30 7.644 -7.147 2.674 1.00 0.00 O ATOM 448 CB TRP A 30 6.878 -5.344 0.250 1.00 0.00 C ATOM 449 CG TRP A 30 6.908 -3.999 0.911 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.232 -3.623 2.036 1.00 0.00 C ATOM 451 CD2 TRP A 30 7.652 -2.851 0.485 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.510 -2.311 2.336 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.379 -1.815 1.400 1.00 0.00 C ATOM 454 CE3 TRP A 30 8.522 -2.599 -0.578 1.00 0.00 C ATOM 455 CZ2 TRP A 30 7.945 -0.549 1.281 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.084 -1.341 -0.695 1.00 0.00 C ATOM 457 CH2 TRP A 30 8.794 -0.330 0.231 1.00 0.00 C ATOM 0 H TRP A 30 7.778 -8.252 0.507 1.00 0.00 H new ATOM 0 HA TRP A 30 8.997 -5.674 0.121 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.773 -5.210 -0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.998 -5.889 0.591 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.575 -4.263 2.607 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.131 -1.791 3.127 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.752 -3.373 -1.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.722 0.233 1.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 9.758 -1.134 -1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.250 0.642 0.113 1.00 0.00 H new ATOM 468 N SER A 31 9.249 -5.572 2.590 1.00 0.00 N ATOM 469 CA SER A 31 9.535 -5.631 4.019 1.00 0.00 C ATOM 470 C SER A 31 9.295 -4.276 4.677 1.00 0.00 C ATOM 471 O SER A 31 10.045 -3.324 4.457 1.00 0.00 O ATOM 472 CB SER A 31 10.979 -6.077 4.253 1.00 0.00 C ATOM 473 OG SER A 31 11.202 -6.387 5.618 1.00 0.00 O ATOM 0 H SER A 31 9.816 -4.900 2.074 1.00 0.00 H new ATOM 0 HA SER A 31 8.860 -6.359 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.197 -6.950 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.662 -5.288 3.940 1.00 0.00 H new ATOM 0 HG SER A 31 10.721 -7.209 5.850 1.00 0.00 H new ATOM 479 N THR A 32 8.244 -4.196 5.486 1.00 0.00 N ATOM 480 CA THR A 32 7.903 -2.958 6.176 1.00 0.00 C ATOM 481 C THR A 32 8.287 -3.026 7.650 1.00 0.00 C ATOM 482 O THR A 32 8.668 -4.083 8.155 1.00 0.00 O ATOM 483 CB THR A 32 6.399 -2.647 6.063 1.00 0.00 C ATOM 484 OG1 THR A 32 6.148 -1.292 6.451 1.00 0.00 O ATOM 485 CG2 THR A 32 5.584 -3.589 6.937 1.00 0.00 C ATOM 0 H THR A 32 7.614 -4.974 5.680 1.00 0.00 H new ATOM 0 HA THR A 32 8.468 -2.161 5.692 1.00 0.00 H new ATOM 0 HB THR A 32 6.099 -2.789 5.025 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.190 -1.102 6.375 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.525 -3.350 6.841 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.754 -4.618 6.620 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.888 -3.475 7.977 1.00 0.00 H new ATOM 493 N THR A 33 8.182 -1.893 8.337 1.00 0.00 N ATOM 494 CA THR A 33 8.519 -1.825 9.754 1.00 0.00 C ATOM 495 C THR A 33 7.688 -2.813 10.565 1.00 0.00 C ATOM 496 O THR A 33 6.506 -3.030 10.300 1.00 0.00 O ATOM 497 CB THR A 33 8.301 -0.407 10.315 1.00 0.00 C ATOM 498 OG1 THR A 33 8.969 -0.271 11.574 1.00 0.00 O ATOM 499 CG2 THR A 33 6.818 -0.114 10.487 1.00 0.00 C ATOM 0 H THR A 33 7.866 -1.010 7.935 1.00 0.00 H new ATOM 0 HA THR A 33 9.574 -2.085 9.841 1.00 0.00 H new ATOM 0 HB THR A 33 8.715 0.309 9.605 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.827 0.634 11.923 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.690 0.893 10.884 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.318 -0.190 9.521 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.382 -0.835 11.179 1.00 0.00 H new ATOM 507 N PRO A 34 8.319 -3.426 11.577 1.00 0.00 N ATOM 508 CA PRO A 34 7.656 -4.401 12.448 1.00 0.00 C ATOM 509 C PRO A 34 6.618 -3.753 13.358 1.00 0.00 C ATOM 510 O PRO A 34 6.029 -4.414 14.214 1.00 0.00 O ATOM 511 CB PRO A 34 8.807 -4.978 13.276 1.00 0.00 C ATOM 512 CG PRO A 34 9.844 -3.908 13.279 1.00 0.00 C ATOM 513 CD PRO A 34 9.728 -3.215 11.950 1.00 0.00 C ATOM 0 HA PRO A 34 7.106 -5.150 11.877 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.484 -5.219 14.289 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.189 -5.899 12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.681 -3.209 14.099 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.840 -4.330 13.413 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.969 -2.155 12.027 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.407 -3.643 11.213 1.00 0.00 H new ATOM 521 N SER A 35 6.397 -2.456 13.168 1.00 0.00 N ATOM 522 CA SER A 35 5.432 -1.718 13.974 1.00 0.00 C ATOM 523 C SER A 35 4.094 -1.604 13.250 1.00 0.00 C ATOM 524 O SER A 35 3.085 -1.224 13.843 1.00 0.00 O ATOM 525 CB SER A 35 5.969 -0.323 14.300 1.00 0.00 C ATOM 526 OG SER A 35 6.768 -0.345 15.470 1.00 0.00 O ATOM 0 H SER A 35 6.874 -1.894 12.462 1.00 0.00 H new ATOM 0 HA SER A 35 5.277 -2.266 14.903 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.557 0.049 13.461 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.137 0.368 14.437 1.00 0.00 H new ATOM 0 HG SER A 35 7.101 0.558 15.656 1.00 0.00 H new ATOM 532 N ASN A 36 4.094 -1.937 11.963 1.00 0.00 N ATOM 533 CA ASN A 36 2.881 -1.872 11.157 1.00 0.00 C ATOM 534 C ASN A 36 2.633 -3.195 10.439 1.00 0.00 C ATOM 535 O ASN A 36 2.016 -3.228 9.375 1.00 0.00 O ATOM 536 CB ASN A 36 2.982 -0.736 10.137 1.00 0.00 C ATOM 537 CG ASN A 36 3.791 0.437 10.655 1.00 0.00 C ATOM 538 OD1 ASN A 36 3.857 0.674 11.862 1.00 0.00 O ATOM 539 ND2 ASN A 36 4.411 1.177 9.744 1.00 0.00 N ATOM 0 H ASN A 36 4.920 -2.254 11.456 1.00 0.00 H new ATOM 0 HA ASN A 36 2.041 -1.679 11.824 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.439 -1.113 9.222 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.980 -0.396 9.876 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.970 1.979 10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.328 0.943 8.755 1.00 0.00 H new ATOM 546 N GLU A 37 3.118 -4.282 11.030 1.00 0.00 N ATOM 547 CA GLU A 37 2.950 -5.608 10.446 1.00 0.00 C ATOM 548 C GLU A 37 1.675 -6.271 10.960 1.00 0.00 C ATOM 549 O GLU A 37 0.847 -6.738 10.178 1.00 0.00 O ATOM 550 CB GLU A 37 4.160 -6.488 10.765 1.00 0.00 C ATOM 551 CG GLU A 37 5.357 -6.225 9.867 1.00 0.00 C ATOM 552 CD GLU A 37 6.422 -7.299 9.985 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.458 -7.986 11.028 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.218 -7.453 9.036 1.00 0.00 O ATOM 0 H GLU A 37 3.630 -4.271 11.912 1.00 0.00 H new ATOM 0 HA GLU A 37 2.869 -5.493 9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.452 -6.327 11.803 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.871 -7.535 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.023 -6.162 8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.792 -5.258 10.121 1.00 0.00 H new ATOM 561 N ARG A 38 1.525 -6.307 12.280 1.00 0.00 N ATOM 562 CA ARG A 38 0.353 -6.914 12.899 1.00 0.00 C ATOM 563 C ARG A 38 -0.885 -6.716 12.030 1.00 0.00 C ATOM 564 O ARG A 38 -1.747 -7.591 11.950 1.00 0.00 O ATOM 565 CB ARG A 38 0.116 -6.316 14.287 1.00 0.00 C ATOM 566 CG ARG A 38 -0.353 -4.871 14.255 1.00 0.00 C ATOM 567 CD ARG A 38 -0.978 -4.459 15.579 1.00 0.00 C ATOM 568 NE ARG A 38 -0.049 -4.613 16.695 1.00 0.00 N ATOM 569 CZ ARG A 38 -0.434 -4.773 17.956 1.00 0.00 C ATOM 570 NH1 ARG A 38 -1.724 -4.800 18.260 1.00 0.00 N ATOM 571 NH2 ARG A 38 0.472 -4.907 18.916 1.00 0.00 N ATOM 0 H ARG A 38 2.200 -5.923 12.941 1.00 0.00 H new ATOM 0 HA ARG A 38 0.539 -7.984 12.998 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.626 -6.918 14.811 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.040 -6.377 14.862 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.491 -4.218 14.031 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.079 -4.741 13.452 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.303 -3.420 15.519 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.868 -5.061 15.763 1.00 0.00 H new ATOM 0 HE ARG A 38 0.951 -4.597 16.495 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.423 -4.698 17.525 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.017 -4.923 19.229 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.466 -4.887 18.686 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.175 -5.030 19.884 1.00 0.00 H new ATOM 585 N LYS A 39 -0.967 -5.560 11.381 1.00 0.00 N ATOM 586 CA LYS A 39 -2.098 -5.245 10.517 1.00 0.00 C ATOM 587 C LYS A 39 -2.034 -6.049 9.222 1.00 0.00 C ATOM 588 O LYS A 39 -2.839 -6.954 9.000 1.00 0.00 O ATOM 589 CB LYS A 39 -2.124 -3.748 10.200 1.00 0.00 C ATOM 590 CG LYS A 39 -0.754 -3.094 10.240 1.00 0.00 C ATOM 591 CD LYS A 39 -0.665 -1.924 9.275 1.00 0.00 C ATOM 592 CE LYS A 39 -0.996 -0.608 9.962 1.00 0.00 C ATOM 593 NZ LYS A 39 -1.621 0.365 9.025 1.00 0.00 N ATOM 0 H LYS A 39 -0.262 -4.825 11.437 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.012 -5.513 11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.558 -3.602 9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.778 -3.246 10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.545 -2.748 11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.009 -3.831 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.339 -1.874 8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.351 -2.084 8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.672 -0.794 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.086 -0.177 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.785 1.266 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.987 0.524 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.528 -0.014 8.685 1.00 0.00 H new ATOM 607 N LEU A 40 -1.070 -5.714 8.371 1.00 0.00 N ATOM 608 CA LEU A 40 -0.899 -6.405 7.098 1.00 0.00 C ATOM 609 C LEU A 40 -1.117 -7.906 7.260 1.00 0.00 C ATOM 610 O LEU A 40 -1.800 -8.535 6.453 1.00 0.00 O ATOM 611 CB LEU A 40 0.497 -6.139 6.533 1.00 0.00 C ATOM 612 CG LEU A 40 0.979 -4.689 6.589 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.369 -4.564 5.985 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.002 -3.774 5.870 1.00 0.00 C ATOM 0 H LEU A 40 -0.395 -4.968 8.540 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.644 -6.021 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.211 -6.759 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.515 -6.467 5.494 1.00 0.00 H new ATOM 0 HG LEU A 40 1.032 -4.383 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.695 -3.525 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.066 -5.189 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.344 -4.888 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.356 -2.746 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.087 -4.079 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.979 -3.841 6.348 1.00 0.00 H new ATOM 626 N ASN A 41 -0.533 -8.474 8.310 1.00 0.00 N ATOM 627 CA ASN A 41 -0.665 -9.901 8.580 1.00 0.00 C ATOM 628 C ASN A 41 -2.115 -10.267 8.878 1.00 0.00 C ATOM 629 O ASN A 41 -2.756 -10.982 8.108 1.00 0.00 O ATOM 630 CB ASN A 41 0.227 -10.303 9.757 1.00 0.00 C ATOM 631 CG ASN A 41 1.607 -9.681 9.676 1.00 0.00 C ATOM 632 OD1 ASN A 41 1.792 -8.632 9.058 1.00 0.00 O ATOM 633 ND2 ASN A 41 2.585 -10.326 10.301 1.00 0.00 N ATOM 0 H ASN A 41 0.036 -7.968 8.988 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.348 -10.445 7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.250 -10.002 10.690 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.322 -11.389 9.783 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.535 -9.955 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.386 -11.192 10.801 1.00 0.00 H new ATOM 640 N ARG A 42 -2.627 -9.770 10.000 1.00 0.00 N ATOM 641 CA ARG A 42 -4.001 -10.045 10.400 1.00 0.00 C ATOM 642 C ARG A 42 -4.970 -9.741 9.261 1.00 0.00 C ATOM 643 O ARG A 42 -5.689 -10.624 8.793 1.00 0.00 O ATOM 644 CB ARG A 42 -4.371 -9.218 11.633 1.00 0.00 C ATOM 645 CG ARG A 42 -5.573 -9.758 12.390 1.00 0.00 C ATOM 646 CD ARG A 42 -5.183 -10.906 13.308 1.00 0.00 C ATOM 647 NE ARG A 42 -6.338 -11.467 14.004 1.00 0.00 N ATOM 648 CZ ARG A 42 -6.248 -12.181 15.120 1.00 0.00 C ATOM 649 NH1 ARG A 42 -5.062 -12.420 15.664 1.00 0.00 N ATOM 650 NH2 ARG A 42 -7.344 -12.657 15.695 1.00 0.00 N ATOM 0 H ARG A 42 -2.110 -9.175 10.648 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.076 -11.104 10.645 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.515 -9.182 12.306 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.577 -8.193 11.324 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.024 -8.958 12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.328 -10.098 11.681 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.697 -11.688 12.724 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.455 -10.554 14.039 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.265 -11.301 13.611 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.217 -12.055 15.225 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.995 -12.969 16.521 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.258 -12.475 15.280 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.273 -13.205 16.552 1.00 0.00 H new ATOM 664 N ALA A 43 -4.984 -8.487 8.821 1.00 0.00 N ATOM 665 CA ALA A 43 -5.863 -8.068 7.736 1.00 0.00 C ATOM 666 C ALA A 43 -5.962 -9.146 6.662 1.00 0.00 C ATOM 667 O ALA A 43 -7.058 -9.567 6.292 1.00 0.00 O ATOM 668 CB ALA A 43 -5.369 -6.762 7.132 1.00 0.00 C ATOM 0 H ALA A 43 -4.397 -7.744 9.199 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.860 -7.911 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.034 -6.461 6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.357 -5.988 7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.361 -6.900 6.740 1.00 0.00 H new ATOM 674 N PHE A 44 -4.812 -9.587 6.165 1.00 0.00 N ATOM 675 CA PHE A 44 -4.770 -10.615 5.132 1.00 0.00 C ATOM 676 C PHE A 44 -5.761 -11.735 5.438 1.00 0.00 C ATOM 677 O PHE A 44 -6.428 -12.250 4.540 1.00 0.00 O ATOM 678 CB PHE A 44 -3.357 -11.189 5.010 1.00 0.00 C ATOM 679 CG PHE A 44 -3.207 -12.183 3.895 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.512 -11.831 2.590 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.762 -13.470 4.151 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.375 -12.744 1.560 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.623 -14.387 3.126 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.931 -14.024 1.829 1.00 0.00 C ATOM 0 H PHE A 44 -3.896 -9.249 6.461 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.050 -10.154 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.654 -10.371 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.085 -11.667 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.861 -10.832 2.374 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.521 -13.760 5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.615 -12.456 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.274 -15.387 3.339 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.825 -14.740 1.027 1.00 0.00 H new ATOM 694 N TRP A 45 -5.850 -12.106 6.710 1.00 0.00 N ATOM 695 CA TRP A 45 -6.759 -13.165 7.134 1.00 0.00 C ATOM 696 C TRP A 45 -8.133 -12.598 7.476 1.00 0.00 C ATOM 697 O TRP A 45 -9.143 -13.013 6.909 1.00 0.00 O ATOM 698 CB TRP A 45 -6.183 -13.904 8.343 1.00 0.00 C ATOM 699 CG TRP A 45 -4.685 -13.946 8.356 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.861 -14.104 7.279 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.835 -13.830 9.502 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.548 -14.093 7.686 1.00 0.00 N ATOM 703 CE2 TRP A 45 -2.505 -13.925 9.045 1.00 0.00 C ATOM 704 CE3 TRP A 45 -4.066 -13.652 10.869 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -1.415 -13.850 9.908 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -2.983 -13.578 11.723 1.00 0.00 C ATOM 707 CH2 TRP A 45 -1.671 -13.677 11.241 1.00 0.00 C ATOM 0 H TRP A 45 -5.305 -11.690 7.465 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.872 -13.867 6.308 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.534 -13.422 9.255 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.568 -14.924 8.354 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.192 -14.220 6.258 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.737 -14.194 7.075 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -5.073 -13.574 11.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.403 -13.926 9.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.150 -13.441 12.781 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.846 -13.616 11.935 1.00 0.00 H new ATOM 718 N GLU A 46 -8.162 -11.649 8.406 1.00 0.00 N ATOM 719 CA GLU A 46 -9.414 -11.027 8.822 1.00 0.00 C ATOM 720 C GLU A 46 -10.165 -10.459 7.622 1.00 0.00 C ATOM 721 O GLU A 46 -11.351 -10.141 7.711 1.00 0.00 O ATOM 722 CB GLU A 46 -9.144 -9.917 9.840 1.00 0.00 C ATOM 723 CG GLU A 46 -9.031 -10.417 11.271 1.00 0.00 C ATOM 724 CD GLU A 46 -9.010 -9.289 12.283 1.00 0.00 C ATOM 725 OE1 GLU A 46 -8.212 -8.346 12.103 1.00 0.00 O ATOM 726 OE2 GLU A 46 -9.791 -9.349 13.256 1.00 0.00 O ATOM 0 H GLU A 46 -7.334 -11.294 8.885 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.034 -11.794 9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.221 -9.404 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.946 -9.181 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.869 -11.079 11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.122 -11.010 11.374 1.00 0.00 H new ATOM 733 N SER A 47 -9.465 -10.334 6.498 1.00 0.00 N ATOM 734 CA SER A 47 -10.064 -9.801 5.280 1.00 0.00 C ATOM 735 C SER A 47 -9.740 -10.688 4.082 1.00 0.00 C ATOM 736 O SER A 47 -8.866 -11.552 4.154 1.00 0.00 O ATOM 737 CB SER A 47 -9.567 -8.377 5.024 1.00 0.00 C ATOM 738 OG SER A 47 -10.217 -7.449 5.876 1.00 0.00 O ATOM 0 H SER A 47 -8.483 -10.595 6.406 1.00 0.00 H new ATOM 0 HA SER A 47 -11.146 -9.783 5.414 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.490 -8.330 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.746 -8.107 3.983 1.00 0.00 H new ATOM 0 HG SER A 47 -10.968 -7.037 5.399 1.00 0.00 H new ATOM 744 N SER A 48 -10.451 -10.467 2.981 1.00 0.00 N ATOM 745 CA SER A 48 -10.243 -11.249 1.767 1.00 0.00 C ATOM 746 C SER A 48 -8.911 -10.892 1.113 1.00 0.00 C ATOM 747 O SER A 48 -8.135 -11.772 0.742 1.00 0.00 O ATOM 748 CB SER A 48 -11.388 -11.013 0.781 1.00 0.00 C ATOM 749 OG SER A 48 -12.430 -11.954 0.975 1.00 0.00 O ATOM 0 H SER A 48 -11.176 -9.753 2.904 1.00 0.00 H new ATOM 0 HA SER A 48 -10.222 -12.303 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.778 -10.003 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.014 -11.086 -0.240 1.00 0.00 H new ATOM 0 HG SER A 48 -13.151 -11.781 0.334 1.00 0.00 H new ATOM 755 N ILE A 49 -8.656 -9.595 0.976 1.00 0.00 N ATOM 756 CA ILE A 49 -7.419 -9.121 0.368 1.00 0.00 C ATOM 757 C ILE A 49 -6.864 -7.915 1.118 1.00 0.00 C ATOM 758 O ILE A 49 -7.524 -7.360 1.998 1.00 0.00 O ATOM 759 CB ILE A 49 -7.628 -8.741 -1.110 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.556 -9.747 -1.792 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.291 -8.671 -1.833 1.00 0.00 C ATOM 762 CD1 ILE A 49 -9.095 -9.267 -3.121 1.00 0.00 C ATOM 0 H ILE A 49 -9.289 -8.854 1.278 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.704 -9.942 0.426 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.095 -7.757 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.016 -10.682 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.392 -9.966 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.455 -8.401 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.660 -7.919 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.799 -9.642 -1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.745 -10.031 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.663 -8.348 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.266 -9.075 -3.802 1.00 0.00 H new ATOM 774 N VAL A 50 -5.648 -7.512 0.764 1.00 0.00 N ATOM 775 CA VAL A 50 -5.006 -6.369 1.401 1.00 0.00 C ATOM 776 C VAL A 50 -4.376 -5.444 0.365 1.00 0.00 C ATOM 777 O VAL A 50 -3.290 -5.717 -0.147 1.00 0.00 O ATOM 778 CB VAL A 50 -3.922 -6.819 2.398 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.110 -5.625 2.880 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.551 -7.555 3.572 1.00 0.00 C ATOM 0 H VAL A 50 -5.088 -7.960 0.039 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.784 -5.829 1.940 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.246 -7.505 1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.349 -5.963 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.629 -5.144 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.770 -4.912 3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.771 -7.866 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.250 -6.894 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.083 -8.434 3.208 1.00 0.00 H new ATOM 790 N TYR A 51 -5.064 -4.350 0.061 1.00 0.00 N ATOM 791 CA TYR A 51 -4.573 -3.385 -0.915 1.00 0.00 C ATOM 792 C TYR A 51 -3.559 -2.436 -0.282 1.00 0.00 C ATOM 793 O TYR A 51 -3.912 -1.592 0.543 1.00 0.00 O ATOM 794 CB TYR A 51 -5.737 -2.586 -1.504 1.00 0.00 C ATOM 795 CG TYR A 51 -6.507 -3.334 -2.568 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.847 -3.998 -3.594 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.896 -3.377 -2.547 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.547 -4.682 -4.569 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.605 -4.060 -3.517 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.926 -4.710 -4.526 1.00 0.00 C ATOM 801 OH TYR A 51 -8.627 -5.391 -5.494 1.00 0.00 O ATOM 0 H TYR A 51 -5.964 -4.109 0.476 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.078 -3.936 -1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.420 -2.309 -0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.352 -1.659 -1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.768 -3.979 -3.630 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.431 -2.868 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.018 -5.192 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.684 -4.085 -3.485 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.588 -5.313 -5.318 1.00 0.00 H new ATOM 811 N LEU A 52 -2.298 -2.581 -0.674 1.00 0.00 N ATOM 812 CA LEU A 52 -1.231 -1.738 -0.147 1.00 0.00 C ATOM 813 C LEU A 52 -0.782 -0.714 -1.185 1.00 0.00 C ATOM 814 O LEU A 52 -0.179 -1.067 -2.199 1.00 0.00 O ATOM 815 CB LEU A 52 -0.042 -2.597 0.287 1.00 0.00 C ATOM 816 CG LEU A 52 -0.374 -3.818 1.146 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.760 -4.829 1.097 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.657 -3.399 2.581 1.00 0.00 C ATOM 0 H LEU A 52 -1.990 -3.275 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.620 -1.203 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.480 -2.938 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.653 -1.966 0.841 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.270 -4.289 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.506 -5.691 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.915 -5.153 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.674 -4.370 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.891 -4.280 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.221 -2.903 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.504 -2.713 2.599 1.00 0.00 H new ATOM 830 N VAL A 53 -1.079 0.555 -0.925 1.00 0.00 N ATOM 831 CA VAL A 53 -0.702 1.630 -1.835 1.00 0.00 C ATOM 832 C VAL A 53 0.698 2.148 -1.525 1.00 0.00 C ATOM 833 O VAL A 53 0.893 2.917 -0.584 1.00 0.00 O ATOM 834 CB VAL A 53 -1.699 2.802 -1.761 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.259 3.936 -2.674 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.101 2.332 -2.119 1.00 0.00 C ATOM 0 H VAL A 53 -1.580 0.864 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.716 1.212 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.716 3.177 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.975 4.755 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.275 4.290 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.211 3.577 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.792 3.173 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.102 1.930 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.414 1.556 -1.420 1.00 0.00 H new ATOM 846 N PHE A 54 1.670 1.721 -2.324 1.00 0.00 N ATOM 847 CA PHE A 54 3.054 2.141 -2.135 1.00 0.00 C ATOM 848 C PHE A 54 3.309 3.490 -2.801 1.00 0.00 C ATOM 849 O PHE A 54 2.842 3.744 -3.911 1.00 0.00 O ATOM 850 CB PHE A 54 4.010 1.090 -2.703 1.00 0.00 C ATOM 851 CG PHE A 54 3.861 -0.263 -2.068 1.00 0.00 C ATOM 852 CD1 PHE A 54 2.820 -1.102 -2.431 1.00 0.00 C ATOM 853 CD2 PHE A 54 4.760 -0.694 -1.106 1.00 0.00 C ATOM 854 CE1 PHE A 54 2.680 -2.348 -1.849 1.00 0.00 C ATOM 855 CE2 PHE A 54 4.625 -1.938 -0.520 1.00 0.00 C ATOM 856 CZ PHE A 54 3.583 -2.766 -0.891 1.00 0.00 C ATOM 0 H PHE A 54 1.525 1.085 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 54 3.233 2.245 -1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.841 0.999 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.036 1.434 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.110 -0.779 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.575 -0.050 -0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.866 -2.994 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.334 -2.263 0.228 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.475 -3.738 -0.433 1.00 0.00 H new ATOM 866 N SER A 55 4.052 4.351 -2.114 1.00 0.00 N ATOM 867 CA SER A 55 4.366 5.676 -2.637 1.00 0.00 C ATOM 868 C SER A 55 5.670 6.200 -2.041 1.00 0.00 C ATOM 869 O SER A 55 5.837 6.240 -0.822 1.00 0.00 O ATOM 870 CB SER A 55 3.226 6.650 -2.333 1.00 0.00 C ATOM 871 OG SER A 55 3.392 7.866 -3.041 1.00 0.00 O ATOM 0 H SER A 55 4.448 4.156 -1.194 1.00 0.00 H new ATOM 0 HA SER A 55 4.487 5.594 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.273 6.195 -2.603 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.191 6.851 -1.262 1.00 0.00 H new ATOM 0 HG SER A 55 2.650 8.471 -2.831 1.00 0.00 H new ATOM 877 N VAL A 56 6.591 6.600 -2.911 1.00 0.00 N ATOM 878 CA VAL A 56 7.880 7.123 -2.474 1.00 0.00 C ATOM 879 C VAL A 56 7.724 8.490 -1.817 1.00 0.00 C ATOM 880 O VAL A 56 6.967 9.335 -2.293 1.00 0.00 O ATOM 881 CB VAL A 56 8.867 7.241 -3.650 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.180 7.854 -3.187 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.101 5.879 -4.286 1.00 0.00 C ATOM 0 H VAL A 56 6.469 6.572 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 56 8.277 6.416 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 56 8.432 7.899 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.864 7.929 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.994 8.848 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.624 7.224 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.801 5.980 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.515 5.197 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.155 5.483 -4.656 1.00 0.00 H new ATOM 893 N GLN A 57 8.446 8.700 -0.721 1.00 0.00 N ATOM 894 CA GLN A 57 8.388 9.965 0.002 1.00 0.00 C ATOM 895 C GLN A 57 8.928 11.106 -0.854 1.00 0.00 C ATOM 896 O GLN A 57 10.021 11.014 -1.410 1.00 0.00 O ATOM 897 CB GLN A 57 9.182 9.869 1.306 1.00 0.00 C ATOM 898 CG GLN A 57 9.357 11.204 2.011 1.00 0.00 C ATOM 899 CD GLN A 57 8.204 11.528 2.941 1.00 0.00 C ATOM 900 OE1 GLN A 57 7.565 10.631 3.491 1.00 0.00 O ATOM 901 NE2 GLN A 57 7.933 12.815 3.122 1.00 0.00 N ATOM 0 H GLN A 57 9.078 8.010 -0.314 1.00 0.00 H new ATOM 0 HA GLN A 57 7.344 10.173 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.677 9.176 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.165 9.448 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.286 11.191 2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.451 11.994 1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.489 13.525 2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.169 13.094 3.737 1.00 0.00 H new ATOM 910 N GLY A 58 8.153 12.182 -0.955 1.00 0.00 N ATOM 911 CA GLY A 58 8.571 13.325 -1.745 1.00 0.00 C ATOM 912 C GLY A 58 7.895 13.371 -3.101 1.00 0.00 C ATOM 913 O GLY A 58 7.375 14.409 -3.508 1.00 0.00 O ATOM 0 H GLY A 58 7.244 12.282 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.347 14.242 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.652 13.292 -1.882 1.00 0.00 H new ATOM 917 N SER A 59 7.904 12.242 -3.803 1.00 0.00 N ATOM 918 CA SER A 59 7.292 12.159 -5.124 1.00 0.00 C ATOM 919 C SER A 59 5.816 12.538 -5.064 1.00 0.00 C ATOM 920 O SER A 59 5.075 12.057 -4.207 1.00 0.00 O ATOM 921 CB SER A 59 7.446 10.747 -5.693 1.00 0.00 C ATOM 922 OG SER A 59 7.306 10.747 -7.103 1.00 0.00 O ATOM 0 H SER A 59 8.328 11.373 -3.479 1.00 0.00 H new ATOM 0 HA SER A 59 7.803 12.864 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.423 10.347 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.698 10.090 -5.250 1.00 0.00 H new ATOM 0 HG SER A 59 7.410 9.833 -7.442 1.00 0.00 H new ATOM 928 N GLY A 60 5.395 13.404 -5.980 1.00 0.00 N ATOM 929 CA GLY A 60 4.009 13.834 -6.014 1.00 0.00 C ATOM 930 C GLY A 60 3.121 12.868 -6.774 1.00 0.00 C ATOM 931 O GLY A 60 2.100 13.264 -7.336 1.00 0.00 O ATOM 0 H GLY A 60 5.989 13.816 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.639 13.938 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.949 14.819 -6.477 1.00 0.00 H new ATOM 935 N HIS A 61 3.512 11.598 -6.792 1.00 0.00 N ATOM 936 CA HIS A 61 2.744 10.572 -7.490 1.00 0.00 C ATOM 937 C HIS A 61 2.636 9.306 -6.646 1.00 0.00 C ATOM 938 O HIS A 61 3.182 9.233 -5.545 1.00 0.00 O ATOM 939 CB HIS A 61 3.392 10.248 -8.836 1.00 0.00 C ATOM 940 CG HIS A 61 3.413 11.406 -9.786 1.00 0.00 C ATOM 941 ND1 HIS A 61 3.999 12.617 -9.483 1.00 0.00 N ATOM 942 CD2 HIS A 61 2.917 11.533 -11.039 1.00 0.00 C ATOM 943 CE1 HIS A 61 3.861 13.439 -10.507 1.00 0.00 C ATOM 944 NE2 HIS A 61 3.209 12.805 -11.465 1.00 0.00 N ATOM 0 H HIS A 61 4.355 11.254 -6.332 1.00 0.00 H new ATOM 0 HA HIS A 61 1.740 10.959 -7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.414 9.910 -8.666 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.855 9.419 -9.298 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.390 10.775 -11.599 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.220 14.457 -10.553 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.962 13.197 -12.374 1.00 0.00 H new ATOM 952 N PHE A 62 1.927 8.311 -7.168 1.00 0.00 N ATOM 953 CA PHE A 62 1.745 7.048 -6.462 1.00 0.00 C ATOM 954 C PHE A 62 2.422 5.904 -7.211 1.00 0.00 C ATOM 955 O PHE A 62 1.938 5.458 -8.251 1.00 0.00 O ATOM 956 CB PHE A 62 0.255 6.747 -6.286 1.00 0.00 C ATOM 957 CG PHE A 62 -0.335 7.350 -5.044 1.00 0.00 C ATOM 958 CD1 PHE A 62 -0.053 6.817 -3.797 1.00 0.00 C ATOM 959 CD2 PHE A 62 -1.174 8.451 -5.123 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.594 7.370 -2.652 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.718 9.008 -3.982 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.429 8.466 -2.744 1.00 0.00 C ATOM 0 H PHE A 62 1.469 8.355 -8.078 1.00 0.00 H new ATOM 0 HA PHE A 62 2.208 7.140 -5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.288 7.120 -7.155 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.111 5.667 -6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.598 5.959 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.405 8.878 -6.088 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.364 6.945 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.369 9.867 -4.057 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.855 8.898 -1.851 1.00 0.00 H new ATOM 972 N GLN A 63 3.543 5.434 -6.674 1.00 0.00 N ATOM 973 CA GLN A 63 4.287 4.343 -7.292 1.00 0.00 C ATOM 974 C GLN A 63 3.351 3.211 -7.704 1.00 0.00 C ATOM 975 O GLN A 63 3.667 2.425 -8.596 1.00 0.00 O ATOM 976 CB GLN A 63 5.353 3.815 -6.330 1.00 0.00 C ATOM 977 CG GLN A 63 6.720 4.450 -6.529 1.00 0.00 C ATOM 978 CD GLN A 63 6.632 5.883 -7.016 1.00 0.00 C ATOM 979 OE1 GLN A 63 7.180 6.230 -8.062 1.00 0.00 O ATOM 980 NE2 GLN A 63 5.940 6.725 -6.257 1.00 0.00 N ATOM 0 H GLN A 63 3.956 5.791 -5.813 1.00 0.00 H new ATOM 0 HA GLN A 63 4.775 4.730 -8.186 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.025 3.991 -5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.441 2.736 -6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.269 4.423 -5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.289 3.860 -7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.502 6.394 -5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.847 7.702 -6.534 1.00 0.00 H new ATOM 989 N GLY A 64 2.198 3.135 -7.047 1.00 0.00 N ATOM 990 CA GLY A 64 1.234 2.095 -7.359 1.00 0.00 C ATOM 991 C GLY A 64 0.848 1.279 -6.142 1.00 0.00 C ATOM 992 O GLY A 64 1.447 1.419 -5.076 1.00 0.00 O ATOM 0 H GLY A 64 1.914 3.774 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.340 2.549 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.651 1.434 -8.119 1.00 0.00 H new ATOM 996 N PHE A 65 -0.157 0.424 -6.300 1.00 0.00 N ATOM 997 CA PHE A 65 -0.625 -0.417 -5.204 1.00 0.00 C ATOM 998 C PHE A 65 -0.382 -1.892 -5.508 1.00 0.00 C ATOM 999 O PHE A 65 -0.087 -2.263 -6.644 1.00 0.00 O ATOM 1000 CB PHE A 65 -2.114 -0.176 -4.948 1.00 0.00 C ATOM 1001 CG PHE A 65 -3.012 -0.891 -5.917 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.226 -0.382 -7.188 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.642 -2.071 -5.558 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -4.052 -1.037 -8.082 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.469 -2.731 -6.447 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.673 -2.214 -7.711 1.00 0.00 C ATOM 0 H PHE A 65 -0.663 0.295 -7.176 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.062 -0.151 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.357 -0.497 -3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.315 0.894 -5.000 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.742 0.537 -7.483 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.485 -2.480 -4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.212 -0.629 -9.069 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.955 -3.650 -6.154 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.317 -2.729 -8.409 1.00 0.00 H new ATOM 1016 N SER A 66 -0.506 -2.730 -4.483 1.00 0.00 N ATOM 1017 CA SER A 66 -0.296 -4.164 -4.638 1.00 0.00 C ATOM 1018 C SER A 66 -1.048 -4.943 -3.563 1.00 0.00 C ATOM 1019 O SER A 66 -0.916 -4.663 -2.372 1.00 0.00 O ATOM 1020 CB SER A 66 1.197 -4.492 -4.572 1.00 0.00 C ATOM 1021 OG SER A 66 1.945 -3.642 -5.425 1.00 0.00 O ATOM 0 H SER A 66 -0.751 -2.440 -3.536 1.00 0.00 H new ATOM 0 HA SER A 66 -0.683 -4.460 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.551 -4.386 -3.547 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.357 -5.532 -4.858 1.00 0.00 H new ATOM 0 HG SER A 66 2.684 -4.147 -5.824 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.837 -5.922 -3.994 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.611 -6.741 -3.070 1.00 0.00 C ATOM 1029 C ARG A 67 -1.740 -7.828 -2.446 1.00 0.00 C ATOM 1030 O ARG A 67 -1.124 -8.625 -3.152 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.800 -7.378 -3.792 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.398 -8.280 -4.948 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.614 -8.892 -5.626 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.255 -10.021 -6.479 1.00 0.00 N ATOM 1035 CZ ARG A 67 -5.099 -10.994 -6.804 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -6.345 -10.975 -6.350 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.697 -11.989 -7.585 1.00 0.00 N ATOM 0 H ARG A 67 -1.957 -6.167 -4.977 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.981 -6.095 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.382 -7.958 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.452 -6.589 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.824 -7.706 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.746 -9.073 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.324 -9.222 -4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.117 -8.132 -6.224 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.304 -10.065 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.657 -10.212 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.991 -11.723 -6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.739 -12.007 -7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.346 -12.736 -7.834 1.00 0.00 H new ATOM 1051 N MET A 68 -1.694 -7.852 -1.118 1.00 0.00 N ATOM 1052 CA MET A 68 -0.899 -8.841 -0.399 1.00 0.00 C ATOM 1053 C MET A 68 -1.261 -10.255 -0.842 1.00 0.00 C ATOM 1054 O MET A 68 -2.435 -10.621 -0.886 1.00 0.00 O ATOM 1055 CB MET A 68 -1.110 -8.697 1.110 1.00 0.00 C ATOM 1056 CG MET A 68 0.085 -9.145 1.936 1.00 0.00 C ATOM 1057 SD MET A 68 0.230 -8.245 3.491 1.00 0.00 S ATOM 1058 CE MET A 68 0.404 -9.599 4.651 1.00 0.00 C ATOM 0 H MET A 68 -2.197 -7.198 -0.518 1.00 0.00 H new ATOM 0 HA MET A 68 0.151 -8.664 -0.630 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.330 -7.655 1.340 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.983 -9.279 1.404 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.001 -10.211 2.144 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.996 -9.007 1.354 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.451 -9.205 5.666 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.452 -10.268 4.561 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.319 -10.149 4.433 1.00 0.00 H new ATOM 1068 N SER A 69 -0.244 -11.046 -1.170 1.00 0.00 N ATOM 1069 CA SER A 69 -0.455 -12.419 -1.614 1.00 0.00 C ATOM 1070 C SER A 69 -0.053 -13.409 -0.525 1.00 0.00 C ATOM 1071 O SER A 69 -0.587 -14.516 -0.450 1.00 0.00 O ATOM 1072 CB SER A 69 0.344 -12.693 -2.889 1.00 0.00 C ATOM 1073 OG SER A 69 0.349 -14.076 -3.200 1.00 0.00 O ATOM 0 H SER A 69 0.734 -10.759 -1.137 1.00 0.00 H new ATOM 0 HA SER A 69 -1.517 -12.548 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.086 -12.132 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.368 -12.342 -2.763 1.00 0.00 H new ATOM 0 HG SER A 69 0.865 -14.225 -4.020 1.00 0.00 H new ATOM 1079 N SER A 70 0.892 -13.003 0.316 1.00 0.00 N ATOM 1080 CA SER A 70 1.370 -13.855 1.399 1.00 0.00 C ATOM 1081 C SER A 70 1.521 -13.059 2.691 1.00 0.00 C ATOM 1082 O SER A 70 1.645 -11.835 2.666 1.00 0.00 O ATOM 1083 CB SER A 70 2.707 -14.495 1.021 1.00 0.00 C ATOM 1084 OG SER A 70 2.984 -15.619 1.838 1.00 0.00 O ATOM 0 H SER A 70 1.342 -12.089 0.269 1.00 0.00 H new ATOM 0 HA SER A 70 0.633 -14.641 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.685 -14.799 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.507 -13.761 1.123 1.00 0.00 H new ATOM 0 HG SER A 70 3.840 -15.487 2.297 1.00 0.00 H new ATOM 1090 N GLU A 71 1.510 -13.763 3.818 1.00 0.00 N ATOM 1091 CA GLU A 71 1.645 -13.122 5.121 1.00 0.00 C ATOM 1092 C GLU A 71 3.109 -12.821 5.430 1.00 0.00 C ATOM 1093 O GLU A 71 3.999 -13.143 4.642 1.00 0.00 O ATOM 1094 CB GLU A 71 1.054 -14.012 6.216 1.00 0.00 C ATOM 1095 CG GLU A 71 1.644 -15.412 6.247 1.00 0.00 C ATOM 1096 CD GLU A 71 0.873 -16.389 5.380 1.00 0.00 C ATOM 1097 OE1 GLU A 71 -0.085 -17.007 5.890 1.00 0.00 O ATOM 1098 OE2 GLU A 71 1.229 -16.535 4.192 1.00 0.00 O ATOM 0 H GLU A 71 1.409 -14.777 3.855 1.00 0.00 H new ATOM 0 HA GLU A 71 1.096 -12.181 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.215 -13.538 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.024 -14.084 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.680 -15.373 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.656 -15.775 7.275 1.00 0.00 H new ATOM 1105 N ILE A 72 3.349 -12.202 6.580 1.00 0.00 N ATOM 1106 CA ILE A 72 4.704 -11.858 6.994 1.00 0.00 C ATOM 1107 C ILE A 72 5.287 -12.927 7.912 1.00 0.00 C ATOM 1108 O ILE A 72 4.670 -13.311 8.905 1.00 0.00 O ATOM 1109 CB ILE A 72 4.744 -10.499 7.717 1.00 0.00 C ATOM 1110 CG1 ILE A 72 4.125 -9.410 6.838 1.00 0.00 C ATOM 1111 CG2 ILE A 72 6.174 -10.137 8.088 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.936 -8.090 7.553 1.00 0.00 C ATOM 0 H ILE A 72 2.623 -11.928 7.242 1.00 0.00 H new ATOM 0 HA ILE A 72 5.304 -11.795 6.086 1.00 0.00 H new ATOM 0 HB ILE A 72 4.160 -10.576 8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.760 -9.254 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.159 -9.756 6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.185 -9.174 8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.583 -10.902 8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.780 -10.076 7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.493 -7.366 6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.276 -8.231 8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.902 -7.721 7.897 1.00 0.00 H new ATOM 1124 N GLY A 73 6.481 -13.403 7.573 1.00 0.00 N ATOM 1125 CA GLY A 73 7.129 -14.422 8.378 1.00 0.00 C ATOM 1126 C GLY A 73 8.398 -14.948 7.736 1.00 0.00 C ATOM 1127 O GLY A 73 9.233 -14.173 7.269 1.00 0.00 O ATOM 0 H GLY A 73 7.011 -13.101 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.366 -14.010 9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.437 -15.249 8.538 1.00 0.00 H new ATOM 1131 N ARG A 74 8.544 -16.269 7.715 1.00 0.00 N ATOM 1132 CA ARG A 74 9.722 -16.897 7.128 1.00 0.00 C ATOM 1133 C ARG A 74 10.171 -16.149 5.876 1.00 0.00 C ATOM 1134 O ARG A 74 11.366 -16.029 5.609 1.00 0.00 O ATOM 1135 CB ARG A 74 9.429 -18.358 6.785 1.00 0.00 C ATOM 1136 CG ARG A 74 8.200 -18.544 5.909 1.00 0.00 C ATOM 1137 CD ARG A 74 6.922 -18.533 6.733 1.00 0.00 C ATOM 1138 NE ARG A 74 6.329 -17.200 6.807 1.00 0.00 N ATOM 1139 CZ ARG A 74 5.074 -16.974 7.178 1.00 0.00 C ATOM 1140 NH1 ARG A 74 4.284 -17.986 7.507 1.00 0.00 N ATOM 1141 NH2 ARG A 74 4.607 -15.733 7.220 1.00 0.00 N ATOM 0 H ARG A 74 7.862 -16.924 8.097 1.00 0.00 H new ATOM 0 HA ARG A 74 10.527 -16.857 7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.294 -18.784 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.294 -18.919 7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.160 -17.750 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.277 -19.487 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.203 -19.226 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.137 -18.890 7.740 1.00 0.00 H new ATOM 0 HE ARG A 74 6.911 -16.399 6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.639 -18.942 7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.321 -17.809 7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.212 -14.952 6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.643 -15.560 7.505 1.00 0.00 H new ATOM 1155 N GLU A 75 9.204 -15.649 5.113 1.00 0.00 N ATOM 1156 CA GLU A 75 9.500 -14.915 3.889 1.00 0.00 C ATOM 1157 C GLU A 75 10.524 -13.814 4.149 1.00 0.00 C ATOM 1158 O GLU A 75 10.236 -12.831 4.832 1.00 0.00 O ATOM 1159 CB GLU A 75 8.221 -14.309 3.308 1.00 0.00 C ATOM 1160 CG GLU A 75 7.502 -15.225 2.332 1.00 0.00 C ATOM 1161 CD GLU A 75 6.625 -16.248 3.030 1.00 0.00 C ATOM 1162 OE1 GLU A 75 5.510 -15.880 3.454 1.00 0.00 O ATOM 1163 OE2 GLU A 75 7.055 -17.414 3.151 1.00 0.00 O ATOM 0 H GLU A 75 8.210 -15.739 5.321 1.00 0.00 H new ATOM 0 HA GLU A 75 9.921 -15.617 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.544 -14.059 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.468 -13.376 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.889 -14.624 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.237 -15.742 1.716 1.00 0.00 H new ATOM 1170 N LYS A 76 11.722 -13.986 3.601 1.00 0.00 N ATOM 1171 CA LYS A 76 12.790 -13.009 3.772 1.00 0.00 C ATOM 1172 C LYS A 76 13.505 -12.746 2.450 1.00 0.00 C ATOM 1173 O LYS A 76 13.206 -13.377 1.437 1.00 0.00 O ATOM 1174 CB LYS A 76 13.795 -13.498 4.818 1.00 0.00 C ATOM 1175 CG LYS A 76 13.351 -13.250 6.250 1.00 0.00 C ATOM 1176 CD LYS A 76 13.710 -11.847 6.709 1.00 0.00 C ATOM 1177 CE LYS A 76 13.660 -11.727 8.225 1.00 0.00 C ATOM 1178 NZ LYS A 76 14.441 -10.557 8.715 1.00 0.00 N ATOM 0 H LYS A 76 11.978 -14.794 3.034 1.00 0.00 H new ATOM 0 HA LYS A 76 12.342 -12.076 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.962 -14.566 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.751 -13.001 4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.274 -13.395 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.820 -13.981 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.709 -11.592 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.021 -11.130 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.623 -11.632 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.052 -12.639 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.382 -10.510 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.436 -10.659 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.051 -9.684 8.306 1.00 0.00 H new ATOM 1192 N SER A 77 14.451 -11.813 2.469 1.00 0.00 N ATOM 1193 CA SER A 77 15.206 -11.466 1.271 1.00 0.00 C ATOM 1194 C SER A 77 16.554 -10.851 1.637 1.00 0.00 C ATOM 1195 O SER A 77 16.909 -10.765 2.813 1.00 0.00 O ATOM 1196 CB SER A 77 14.407 -10.491 0.403 1.00 0.00 C ATOM 1197 OG SER A 77 14.997 -10.347 -0.877 1.00 0.00 O ATOM 0 H SER A 77 14.713 -11.284 3.301 1.00 0.00 H new ATOM 0 HA SER A 77 15.385 -12.381 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.383 -10.849 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.356 -9.520 0.895 1.00 0.00 H new ATOM 0 HG SER A 77 14.467 -9.721 -1.413 1.00 0.00 H new ATOM 1203 N GLN A 78 17.299 -10.427 0.622 1.00 0.00 N ATOM 1204 CA GLN A 78 18.608 -9.821 0.837 1.00 0.00 C ATOM 1205 C GLN A 78 18.639 -8.391 0.309 1.00 0.00 C ATOM 1206 O GLN A 78 18.704 -7.435 1.083 1.00 0.00 O ATOM 1207 CB GLN A 78 19.696 -10.653 0.155 1.00 0.00 C ATOM 1208 CG GLN A 78 19.956 -11.988 0.833 1.00 0.00 C ATOM 1209 CD GLN A 78 20.516 -13.027 -0.119 1.00 0.00 C ATOM 1210 OE1 GLN A 78 21.674 -13.429 -0.006 1.00 0.00 O ATOM 1211 NE2 GLN A 78 19.694 -13.467 -1.065 1.00 0.00 N ATOM 0 H GLN A 78 17.019 -10.492 -0.357 1.00 0.00 H new ATOM 0 HA GLN A 78 18.798 -9.797 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.409 -10.831 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 78 20.622 -10.079 0.135 1.00 0.00 H new ATOM 0 HG2 GLN A 78 20.654 -11.843 1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 78 19.026 -12.359 1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.742 -13.106 -1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.015 -14.166 -1.735 1.00 0.00 H new ATOM 1220 N ASP A 79 18.593 -8.251 -1.011 1.00 0.00 N ATOM 1221 CA ASP A 79 18.615 -6.937 -1.642 1.00 0.00 C ATOM 1222 C ASP A 79 17.593 -6.006 -0.996 1.00 0.00 C ATOM 1223 O ASP A 79 16.417 -6.350 -0.872 1.00 0.00 O ATOM 1224 CB ASP A 79 18.334 -7.062 -3.140 1.00 0.00 C ATOM 1225 CG ASP A 79 19.443 -7.785 -3.879 1.00 0.00 C ATOM 1226 OD1 ASP A 79 20.499 -7.165 -4.117 1.00 0.00 O ATOM 1227 OD2 ASP A 79 19.253 -8.972 -4.219 1.00 0.00 O ATOM 0 H ASP A 79 18.540 -9.032 -1.665 1.00 0.00 H new ATOM 0 HA ASP A 79 19.608 -6.511 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.395 -7.596 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.205 -6.067 -3.567 1.00 0.00 H new ATOM 1232 N TRP A 80 18.049 -4.828 -0.586 1.00 0.00 N ATOM 1233 CA TRP A 80 17.174 -3.849 0.049 1.00 0.00 C ATOM 1234 C TRP A 80 17.887 -2.513 0.221 1.00 0.00 C ATOM 1235 O TRP A 80 19.110 -2.433 0.116 1.00 0.00 O ATOM 1236 CB TRP A 80 16.697 -4.365 1.407 1.00 0.00 C ATOM 1237 CG TRP A 80 15.495 -5.257 1.316 1.00 0.00 C ATOM 1238 CD1 TRP A 80 15.360 -6.507 1.847 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.261 -4.966 0.651 1.00 0.00 C ATOM 1240 NE1 TRP A 80 14.117 -7.012 1.553 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.423 -6.085 0.821 1.00 0.00 C ATOM 1242 CE3 TRP A 80 13.782 -3.868 -0.070 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.134 -6.136 0.295 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.503 -3.921 -0.591 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.691 -5.047 -0.406 1.00 0.00 C ATOM 0 H TRP A 80 19.019 -4.528 -0.682 1.00 0.00 H new ATOM 0 HA TRP A 80 16.310 -3.698 -0.598 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.510 -4.911 1.886 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.462 -3.515 2.048 1.00 0.00 H new ATOM 0 HD1 TRP A 80 16.119 -7.023 2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.768 -7.928 1.834 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.400 -2.995 -0.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.507 -7.004 0.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.123 -3.079 -1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.696 -5.056 -0.825 1.00 0.00 H new ATOM 1256 N GLY A 81 17.114 -1.463 0.485 1.00 0.00 N ATOM 1257 CA GLY A 81 17.691 -0.144 0.667 1.00 0.00 C ATOM 1258 C GLY A 81 18.003 0.157 2.119 1.00 0.00 C ATOM 1259 O GLY A 81 18.976 0.847 2.422 1.00 0.00 O ATOM 0 H GLY A 81 16.099 -1.503 0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.605 -0.066 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.001 0.607 0.284 1.00 0.00 H new ATOM 1263 N SER A 82 17.174 -0.361 3.021 1.00 0.00 N ATOM 1264 CA SER A 82 17.363 -0.139 4.449 1.00 0.00 C ATOM 1265 C SER A 82 17.419 -1.465 5.202 1.00 0.00 C ATOM 1266 O SER A 82 16.451 -2.223 5.219 1.00 0.00 O ATOM 1267 CB SER A 82 16.233 0.729 5.006 1.00 0.00 C ATOM 1268 OG SER A 82 16.428 2.093 4.677 1.00 0.00 O ATOM 0 H SER A 82 16.365 -0.937 2.787 1.00 0.00 H new ATOM 0 HA SER A 82 18.312 0.379 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.278 0.388 4.606 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.184 0.616 6.089 1.00 0.00 H new ATOM 0 HG SER A 82 15.692 2.626 5.043 1.00 0.00 H new ATOM 1274 N ALA A 83 18.562 -1.737 5.824 1.00 0.00 N ATOM 1275 CA ALA A 83 18.746 -2.970 6.580 1.00 0.00 C ATOM 1276 C ALA A 83 17.733 -3.073 7.715 1.00 0.00 C ATOM 1277 O ALA A 83 17.332 -4.169 8.104 1.00 0.00 O ATOM 1278 CB ALA A 83 20.164 -3.047 7.126 1.00 0.00 C ATOM 0 H ALA A 83 19.374 -1.120 5.819 1.00 0.00 H new ATOM 0 HA ALA A 83 18.583 -3.810 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.288 -3.973 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.874 -3.027 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.348 -2.196 7.782 1.00 0.00 H new ATOM 1284 N GLY A 84 17.323 -1.924 8.243 1.00 0.00 N ATOM 1285 CA GLY A 84 16.361 -1.908 9.329 1.00 0.00 C ATOM 1286 C GLY A 84 15.024 -2.501 8.929 1.00 0.00 C ATOM 1287 O GLY A 84 14.072 -1.772 8.649 1.00 0.00 O ATOM 0 H GLY A 84 17.640 -1.004 7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.764 -2.465 10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.214 -0.881 9.665 1.00 0.00 H new ATOM 1291 N LEU A 85 14.952 -3.827 8.899 1.00 0.00 N ATOM 1292 CA LEU A 85 13.723 -4.519 8.528 1.00 0.00 C ATOM 1293 C LEU A 85 13.506 -5.751 9.401 1.00 0.00 C ATOM 1294 O LEU A 85 14.334 -6.075 10.251 1.00 0.00 O ATOM 1295 CB LEU A 85 13.768 -4.925 7.054 1.00 0.00 C ATOM 1296 CG LEU A 85 13.953 -3.788 6.050 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.457 -4.327 4.720 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.650 -3.026 5.860 1.00 0.00 C ATOM 0 H LEU A 85 15.731 -4.445 9.127 1.00 0.00 H new ATOM 0 HA LEU A 85 12.889 -3.835 8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.581 -5.638 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.842 -5.448 6.814 1.00 0.00 H new ATOM 0 HG LEU A 85 14.699 -3.098 6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.583 -3.503 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.414 -4.826 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.735 -5.039 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.801 -2.220 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.883 -3.705 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.331 -2.606 6.814 1.00 0.00 H new ATOM 1310 N GLY A 86 12.388 -6.436 9.182 1.00 0.00 N ATOM 1311 CA GLY A 86 12.084 -7.626 9.955 1.00 0.00 C ATOM 1312 C GLY A 86 10.804 -8.300 9.502 1.00 0.00 C ATOM 1313 O GLY A 86 9.707 -7.857 9.839 1.00 0.00 O ATOM 0 H GLY A 86 11.687 -6.188 8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.911 -8.331 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.997 -7.359 11.008 1.00 0.00 H new ATOM 1317 N GLY A 87 10.943 -9.376 8.732 1.00 0.00 N ATOM 1318 CA GLY A 87 9.781 -10.094 8.243 1.00 0.00 C ATOM 1319 C GLY A 87 9.309 -9.583 6.896 1.00 0.00 C ATOM 1320 O GLY A 87 8.654 -8.544 6.813 1.00 0.00 O ATOM 0 H GLY A 87 11.840 -9.763 8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.020 -11.154 8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.971 -10.004 8.967 1.00 0.00 H new ATOM 1324 N VAL A 88 9.643 -10.315 5.838 1.00 0.00 N ATOM 1325 CA VAL A 88 9.249 -9.930 4.487 1.00 0.00 C ATOM 1326 C VAL A 88 8.050 -10.742 4.012 1.00 0.00 C ATOM 1327 O VAL A 88 7.891 -11.907 4.378 1.00 0.00 O ATOM 1328 CB VAL A 88 10.408 -10.115 3.491 1.00 0.00 C ATOM 1329 CG1 VAL A 88 9.978 -9.709 2.089 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.626 -9.318 3.935 1.00 0.00 C ATOM 0 H VAL A 88 10.185 -11.177 5.890 1.00 0.00 H new ATOM 0 HA VAL A 88 8.977 -8.875 4.525 1.00 0.00 H new ATOM 0 HB VAL A 88 10.680 -11.170 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.810 -9.847 1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.138 -10.328 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.677 -8.661 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.435 -9.461 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.370 -8.260 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.947 -9.662 4.918 1.00 0.00 H new ATOM 1340 N PHE A 89 7.208 -10.120 3.194 1.00 0.00 N ATOM 1341 CA PHE A 89 6.021 -10.785 2.668 1.00 0.00 C ATOM 1342 C PHE A 89 5.869 -10.524 1.172 1.00 0.00 C ATOM 1343 O PHE A 89 6.361 -9.522 0.652 1.00 0.00 O ATOM 1344 CB PHE A 89 4.771 -10.307 3.410 1.00 0.00 C ATOM 1345 CG PHE A 89 4.488 -8.844 3.226 1.00 0.00 C ATOM 1346 CD1 PHE A 89 5.170 -7.894 3.969 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.540 -8.418 2.310 1.00 0.00 C ATOM 1348 CE1 PHE A 89 4.910 -6.547 3.803 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.276 -7.072 2.139 1.00 0.00 C ATOM 1350 CZ PHE A 89 3.963 -6.135 2.885 1.00 0.00 C ATOM 0 H PHE A 89 7.325 -9.156 2.881 1.00 0.00 H new ATOM 0 HA PHE A 89 6.138 -11.858 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.911 -10.881 3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.887 -10.515 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.913 -8.210 4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.001 -9.146 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.447 -5.817 4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.533 -6.754 1.423 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.761 -5.083 2.751 1.00 0.00 H new ATOM 1360 N LYS A 90 5.185 -11.432 0.485 1.00 0.00 N ATOM 1361 CA LYS A 90 4.966 -11.302 -0.950 1.00 0.00 C ATOM 1362 C LYS A 90 3.859 -10.293 -1.243 1.00 0.00 C ATOM 1363 O LYS A 90 3.018 -10.015 -0.388 1.00 0.00 O ATOM 1364 CB LYS A 90 4.607 -12.660 -1.558 1.00 0.00 C ATOM 1365 CG LYS A 90 5.813 -13.451 -2.033 1.00 0.00 C ATOM 1366 CD LYS A 90 5.465 -14.913 -2.263 1.00 0.00 C ATOM 1367 CE LYS A 90 5.498 -15.704 -0.964 1.00 0.00 C ATOM 1368 NZ LYS A 90 5.463 -17.173 -1.209 1.00 0.00 N ATOM 0 H LYS A 90 4.772 -12.267 0.900 1.00 0.00 H new ATOM 0 HA LYS A 90 5.890 -10.942 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.066 -13.249 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.931 -12.505 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.193 -13.017 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.611 -13.378 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.474 -14.986 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.168 -15.348 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.400 -15.450 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.649 -15.419 -0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.487 -17.677 -0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.590 -17.419 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.287 -17.449 -1.780 1.00 0.00 H new ATOM 1382 N VAL A 91 3.866 -9.750 -2.456 1.00 0.00 N ATOM 1383 CA VAL A 91 2.861 -8.774 -2.861 1.00 0.00 C ATOM 1384 C VAL A 91 2.573 -8.871 -4.355 1.00 0.00 C ATOM 1385 O VAL A 91 3.468 -9.147 -5.153 1.00 0.00 O ATOM 1386 CB VAL A 91 3.306 -7.338 -2.528 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.184 -7.074 -1.035 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.730 -7.098 -3.005 1.00 0.00 C ATOM 0 H VAL A 91 4.556 -9.969 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 91 1.954 -9.004 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 91 2.650 -6.642 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.503 -6.054 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.147 -7.203 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.815 -7.775 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.028 -6.078 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.402 -7.800 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.782 -7.243 -4.084 1.00 0.00 H new ATOM 1398 N GLU A 92 1.317 -8.643 -4.726 1.00 0.00 N ATOM 1399 CA GLU A 92 0.910 -8.705 -6.125 1.00 0.00 C ATOM 1400 C GLU A 92 0.764 -7.304 -6.712 1.00 0.00 C ATOM 1401 O GLU A 92 -0.056 -6.509 -6.251 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.408 -9.468 -6.263 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.652 -10.014 -7.660 1.00 0.00 C ATOM 1404 CD GLU A 92 -0.116 -9.101 -8.745 1.00 0.00 C ATOM 1405 OE1 GLU A 92 -0.867 -8.211 -9.197 1.00 0.00 O ATOM 1406 OE2 GLU A 92 1.054 -9.277 -9.143 1.00 0.00 O ATOM 0 H GLU A 92 0.564 -8.414 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 92 1.686 -9.233 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.416 -10.295 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.231 -8.807 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.183 -10.994 -7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.722 -10.158 -7.808 1.00 0.00 H new ATOM 1413 N TRP A 93 1.563 -7.009 -7.730 1.00 0.00 N ATOM 1414 CA TRP A 93 1.523 -5.703 -8.380 1.00 0.00 C ATOM 1415 C TRP A 93 0.489 -5.684 -9.500 1.00 0.00 C ATOM 1416 O TRP A 93 0.588 -6.447 -10.461 1.00 0.00 O ATOM 1417 CB TRP A 93 2.902 -5.345 -8.936 1.00 0.00 C ATOM 1418 CG TRP A 93 3.885 -4.944 -7.878 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.802 -5.749 -7.264 1.00 0.00 C ATOM 1420 CD2 TRP A 93 4.046 -3.641 -7.307 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.524 -5.024 -6.346 1.00 0.00 N ATOM 1422 CE2 TRP A 93 5.079 -3.728 -6.355 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.419 -2.409 -7.510 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.497 -2.630 -5.608 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 3.834 -1.320 -6.768 1.00 0.00 C ATOM 1426 CH2 TRP A 93 4.866 -1.436 -5.827 1.00 0.00 C ATOM 0 H TRP A 93 2.247 -7.655 -8.124 1.00 0.00 H new ATOM 0 HA TRP A 93 1.236 -4.962 -7.634 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.298 -6.200 -9.484 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.797 -4.529 -9.651 1.00 0.00 H new ATOM 0 HD1 TRP A 93 4.940 -6.800 -7.470 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.270 -5.391 -5.754 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.624 -2.310 -8.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.291 -2.718 -4.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.355 -0.363 -6.916 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.169 -0.566 -5.264 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.502 -4.809 -9.369 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.554 -4.691 -10.371 1.00 0.00 C ATOM 1439 C ILE A 94 -1.200 -3.641 -11.419 1.00 0.00 C ATOM 1440 O ILE A 94 -1.272 -3.899 -12.620 1.00 0.00 O ATOM 1441 CB ILE A 94 -2.905 -4.324 -9.729 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.242 -5.304 -8.603 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -4.006 -4.317 -10.780 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.531 -4.998 -7.304 1.00 0.00 C ATOM 0 H ILE A 94 -0.599 -4.171 -8.579 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.642 -5.665 -10.852 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.829 -3.323 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.318 -5.291 -8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.982 -6.314 -8.921 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.955 -4.056 -10.311 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.768 -3.584 -11.551 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.084 -5.306 -11.231 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.817 -5.732 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.453 -5.040 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.810 -4.001 -6.963 1.00 0.00 H new ATOM 1456 N ARG A 95 -0.815 -2.457 -10.955 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.448 -1.367 -11.851 1.00 0.00 C ATOM 1458 C ARG A 95 0.869 -0.729 -11.420 1.00 0.00 C ATOM 1459 O ARG A 95 1.025 -0.315 -10.271 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.554 -0.310 -11.883 1.00 0.00 C ATOM 1461 CG ARG A 95 -2.916 -0.865 -12.267 1.00 0.00 C ATOM 1462 CD ARG A 95 -2.999 -1.155 -13.757 1.00 0.00 C ATOM 1463 NE ARG A 95 -3.964 -2.210 -14.056 1.00 0.00 N ATOM 1464 CZ ARG A 95 -4.482 -2.412 -15.262 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -4.130 -1.634 -16.277 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -5.354 -3.393 -15.456 1.00 0.00 N ATOM 0 H ARG A 95 -0.749 -2.228 -9.963 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.321 -1.780 -12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.626 0.159 -10.901 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.277 0.472 -12.590 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.109 -1.779 -11.706 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.692 -0.151 -11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.280 -0.246 -14.288 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.016 -1.448 -14.125 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.256 -2.825 -13.297 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.460 -0.879 -16.132 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.529 -1.791 -17.202 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.628 -3.993 -14.678 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.751 -3.547 -16.383 1.00 0.00 H new ATOM 1480 N LYS A 96 1.815 -0.652 -12.350 1.00 0.00 N ATOM 1481 CA LYS A 96 3.119 -0.064 -12.068 1.00 0.00 C ATOM 1482 C LYS A 96 3.254 1.304 -12.731 1.00 0.00 C ATOM 1483 O LYS A 96 4.355 1.730 -13.075 1.00 0.00 O ATOM 1484 CB LYS A 96 4.236 -0.990 -12.556 1.00 0.00 C ATOM 1485 CG LYS A 96 4.447 -2.206 -11.671 1.00 0.00 C ATOM 1486 CD LYS A 96 5.371 -3.219 -12.326 1.00 0.00 C ATOM 1487 CE LYS A 96 5.628 -4.410 -11.415 1.00 0.00 C ATOM 1488 NZ LYS A 96 6.513 -5.420 -12.059 1.00 0.00 N ATOM 0 H LYS A 96 1.703 -0.990 -13.306 1.00 0.00 H new ATOM 0 HA LYS A 96 3.206 0.064 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.005 -1.323 -13.568 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.167 -0.425 -12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.868 -1.893 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.486 -2.673 -11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.930 -3.564 -13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.318 -2.741 -12.577 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.085 -4.066 -10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.679 -4.876 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.664 -6.216 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.066 -5.768 -12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.428 -4.983 -12.290 1.00 0.00 H new ATOM 1502 N GLU A 97 2.126 1.986 -12.904 1.00 0.00 N ATOM 1503 CA GLU A 97 2.119 3.305 -13.525 1.00 0.00 C ATOM 1504 C GLU A 97 2.287 4.401 -12.475 1.00 0.00 C ATOM 1505 O GLU A 97 2.262 4.133 -11.274 1.00 0.00 O ATOM 1506 CB GLU A 97 0.819 3.522 -14.301 1.00 0.00 C ATOM 1507 CG GLU A 97 0.972 4.442 -15.501 1.00 0.00 C ATOM 1508 CD GLU A 97 2.186 4.103 -16.344 1.00 0.00 C ATOM 1509 OE1 GLU A 97 2.154 3.068 -17.042 1.00 0.00 O ATOM 1510 OE2 GLU A 97 3.168 4.874 -16.306 1.00 0.00 O ATOM 0 H GLU A 97 1.206 1.647 -12.623 1.00 0.00 H new ATOM 0 HA GLU A 97 2.959 3.357 -14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.443 2.557 -14.640 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.069 3.938 -13.628 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.076 4.379 -16.119 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.050 5.473 -15.156 1.00 0.00 H new ATOM 1517 N SER A 98 2.459 5.635 -12.939 1.00 0.00 N ATOM 1518 CA SER A 98 2.635 6.770 -12.042 1.00 0.00 C ATOM 1519 C SER A 98 1.409 7.679 -12.068 1.00 0.00 C ATOM 1520 O SER A 98 1.042 8.216 -13.113 1.00 0.00 O ATOM 1521 CB SER A 98 3.882 7.566 -12.432 1.00 0.00 C ATOM 1522 OG SER A 98 3.805 8.900 -11.957 1.00 0.00 O ATOM 0 H SER A 98 2.480 5.873 -13.931 1.00 0.00 H new ATOM 0 HA SER A 98 2.759 6.386 -11.030 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.769 7.082 -12.023 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.991 7.569 -13.517 1.00 0.00 H new ATOM 0 HG SER A 98 4.614 9.387 -12.218 1.00 0.00 H new ATOM 1528 N LEU A 99 0.780 7.845 -10.910 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.406 8.688 -10.797 1.00 0.00 C ATOM 1530 C LEU A 99 -0.122 9.914 -9.935 1.00 0.00 C ATOM 1531 O LEU A 99 0.243 9.808 -8.764 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.568 7.891 -10.205 1.00 0.00 C ATOM 1533 CG LEU A 99 -2.833 8.687 -9.881 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -3.653 8.921 -11.140 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.662 7.967 -8.827 1.00 0.00 C ATOM 0 H LEU A 99 1.071 7.407 -10.036 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.679 9.026 -11.797 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.831 7.098 -10.904 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.223 7.408 -9.291 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.537 9.656 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.549 9.489 -10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.059 9.480 -11.863 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.940 7.962 -11.571 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.558 8.548 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.949 6.984 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.073 7.853 -7.917 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.296 11.106 -10.525 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.067 12.375 -9.827 1.00 0.00 C ATOM 1549 C PRO A 100 -1.116 12.643 -8.754 1.00 0.00 C ATOM 1550 O PRO A 100 -2.313 12.467 -8.983 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.166 13.416 -10.945 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.026 12.779 -11.981 1.00 0.00 C ATOM 1553 CD PRO A 100 -0.729 11.306 -11.918 1.00 0.00 C ATOM 0 HA PRO A 100 0.887 12.385 -9.300 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.605 14.345 -10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.818 13.663 -11.344 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.081 12.973 -11.786 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.806 13.179 -12.971 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.609 10.708 -12.155 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.050 11.022 -12.626 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.660 13.071 -7.581 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.559 13.364 -6.472 1.00 0.00 C ATOM 1563 C PHE A 101 -2.761 14.176 -6.946 1.00 0.00 C ATOM 1564 O PHE A 101 -3.882 13.974 -6.478 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.816 14.126 -5.372 1.00 0.00 C ATOM 1566 CG PHE A 101 0.066 13.252 -4.528 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.399 12.042 -4.039 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.361 13.640 -4.224 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.411 11.236 -3.262 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.176 12.838 -3.448 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.700 11.634 -2.966 1.00 0.00 C ATOM 0 H PHE A 101 0.327 13.222 -7.375 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.918 12.417 -6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.209 14.908 -5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.544 14.622 -4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.406 11.725 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.738 14.580 -4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.036 10.295 -2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.184 13.152 -3.219 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.335 11.005 -2.359 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.519 15.094 -7.876 1.00 0.00 N ATOM 1582 CA GLN A 102 -3.580 15.937 -8.412 1.00 0.00 C ATOM 1583 C GLN A 102 -4.856 15.130 -8.635 1.00 0.00 C ATOM 1584 O GLN A 102 -5.961 15.621 -8.405 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.134 16.582 -9.725 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.257 17.286 -10.469 1.00 0.00 C ATOM 1587 CD GLN A 102 -3.765 18.457 -11.297 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -2.787 19.116 -10.941 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -4.441 18.723 -12.408 1.00 0.00 N ATOM 0 H GLN A 102 -1.597 15.273 -8.274 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.790 16.721 -7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.341 17.300 -9.516 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.707 15.815 -10.371 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.760 16.571 -11.120 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.998 17.639 -9.751 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.245 18.151 -12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.156 19.499 -13.005 1.00 0.00 H new ATOM 1598 N PHE A 103 -4.694 13.890 -9.085 1.00 0.00 N ATOM 1599 CA PHE A 103 -5.833 13.016 -9.340 1.00 0.00 C ATOM 1600 C PHE A 103 -6.556 12.671 -8.042 1.00 0.00 C ATOM 1601 O PHE A 103 -7.785 12.642 -7.992 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.372 11.733 -10.036 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.228 11.878 -11.525 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -4.483 12.914 -12.064 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -5.838 10.978 -12.383 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -4.348 13.049 -13.433 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -5.707 11.109 -13.753 1.00 0.00 C ATOM 1608 CZ PHE A 103 -4.962 12.146 -14.279 1.00 0.00 C ATOM 0 H PHE A 103 -3.786 13.468 -9.280 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.527 13.547 -9.992 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.415 11.424 -9.615 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.086 10.937 -9.824 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.002 13.624 -11.407 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.422 10.165 -11.977 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -3.763 13.860 -13.841 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.187 10.401 -14.412 1.00 0.00 H new ATOM 0 HZ PHE A 103 -4.860 12.251 -15.349 1.00 0.00 H new ATOM 1618 N ALA A 104 -5.783 12.409 -6.992 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.349 12.067 -5.693 1.00 0.00 C ATOM 1620 C ALA A 104 -6.489 13.305 -4.813 1.00 0.00 C ATOM 1621 O ALA A 104 -6.680 13.198 -3.601 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.489 11.020 -5.002 1.00 0.00 C ATOM 0 H ALA A 104 -4.763 12.427 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.345 11.654 -5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.923 10.774 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.444 10.122 -5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.482 11.413 -4.859 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.393 14.478 -5.430 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.510 15.737 -4.702 1.00 0.00 C ATOM 1630 C HIS A 105 -7.924 15.922 -4.160 1.00 0.00 C ATOM 1631 O HIS A 105 -8.161 16.760 -3.289 1.00 0.00 O ATOM 1632 CB HIS A 105 -6.141 16.911 -5.609 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.760 18.150 -4.859 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -6.180 18.409 -3.571 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -4.993 19.205 -5.222 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.688 19.570 -3.175 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -4.964 20.073 -4.158 1.00 0.00 N ATOM 0 H HIS A 105 -6.235 14.583 -6.432 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.818 15.707 -3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.312 16.616 -6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.986 17.136 -6.260 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.777 17.800 -3.012 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.496 19.339 -6.172 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.851 20.029 -2.211 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.860 15.135 -4.680 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.251 15.213 -4.248 1.00 0.00 C ATOM 1647 C HIS A 106 -10.549 14.159 -3.186 1.00 0.00 C ATOM 1648 O HIS A 106 -11.515 14.280 -2.431 1.00 0.00 O ATOM 1649 CB HIS A 106 -11.189 15.030 -5.442 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.241 13.623 -5.952 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.227 13.052 -6.692 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.194 12.670 -5.825 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.554 11.809 -6.998 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.743 11.552 -6.483 1.00 0.00 N ATOM 0 H HIS A 106 -8.681 14.436 -5.401 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.416 16.199 -3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.194 15.341 -5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.869 15.689 -6.249 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -9.360 13.517 -6.961 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.134 12.770 -5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.952 11.120 -7.572 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.715 13.127 -3.133 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.890 12.051 -2.163 1.00 0.00 C ATOM 1664 C LEU A 107 -9.276 12.426 -0.818 1.00 0.00 C ATOM 1665 O LEU A 107 -8.234 13.079 -0.759 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.256 10.760 -2.684 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.690 10.315 -4.081 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -8.929 9.069 -4.505 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.191 10.065 -4.119 1.00 0.00 C ATOM 0 H LEU A 107 -8.911 13.012 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 107 -10.959 11.892 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.173 10.885 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.484 9.958 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.457 11.114 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.251 8.767 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.860 9.282 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.129 8.263 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.482 9.749 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.448 9.284 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.719 10.983 -3.860 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.928 12.007 0.261 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.446 12.296 1.607 1.00 0.00 C ATOM 1683 C LEU A 108 -9.701 11.118 2.542 1.00 0.00 C ATOM 1684 O LEU A 108 -10.384 10.162 2.179 1.00 0.00 O ATOM 1685 CB LEU A 108 -10.125 13.553 2.155 1.00 0.00 C ATOM 1686 CG LEU A 108 -10.137 14.767 1.226 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -11.213 15.754 1.652 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.772 15.439 1.207 1.00 0.00 C ATOM 0 H LEU A 108 -10.792 11.466 0.230 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.371 12.466 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.155 13.304 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.628 13.835 3.083 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.365 14.425 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.207 16.612 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.188 15.269 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.016 16.090 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.800 16.301 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.514 15.767 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.023 14.731 0.853 1.00 0.00 H new ATOM 1700 N ASN A 109 -9.150 11.197 3.749 1.00 0.00 N ATOM 1701 CA ASN A 109 -9.319 10.138 4.737 1.00 0.00 C ATOM 1702 C ASN A 109 -10.026 10.664 5.983 1.00 0.00 C ATOM 1703 O ASN A 109 -9.429 11.327 6.832 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.961 9.546 5.120 1.00 0.00 C ATOM 1705 CG ASN A 109 -8.089 8.377 6.077 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -7.585 8.422 7.199 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -8.764 7.322 5.635 1.00 0.00 N ATOM 0 H ASN A 109 -8.583 11.983 4.066 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.936 9.357 4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.443 9.219 4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.346 10.321 5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.882 6.505 6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -9.165 7.329 4.697 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.328 10.363 6.096 1.00 0.00 N ATOM 1715 CA PRO A 110 -12.144 10.795 7.235 1.00 0.00 C ATOM 1716 C PRO A 110 -11.765 10.076 8.525 1.00 0.00 C ATOM 1717 O PRO A 110 -12.390 10.280 9.566 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.567 10.421 6.813 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.394 9.303 5.844 1.00 0.00 C ATOM 1720 CD PRO A 110 -12.104 9.577 5.122 1.00 0.00 C ATOM 0 HA PRO A 110 -12.013 11.855 7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -14.166 10.113 7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -14.079 11.267 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -13.357 8.343 6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -14.230 9.259 5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.591 8.654 4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.270 10.132 4.199 1.00 0.00 H new ATOM 1728 N TRP A 111 -10.739 9.237 8.450 1.00 0.00 N ATOM 1729 CA TRP A 111 -10.276 8.489 9.613 1.00 0.00 C ATOM 1730 C TRP A 111 -9.096 9.189 10.277 1.00 0.00 C ATOM 1731 O TRP A 111 -8.856 9.023 11.472 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.880 7.068 9.207 1.00 0.00 C ATOM 1733 CG TRP A 111 -11.054 6.154 9.024 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -12.330 6.513 8.697 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -11.059 4.728 9.160 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -13.128 5.397 8.621 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -12.372 4.290 8.900 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -10.081 3.780 9.473 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -12.730 2.945 8.945 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -10.438 2.446 9.518 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -11.753 2.038 9.255 1.00 0.00 C ATOM 0 H TRP A 111 -10.211 9.057 7.596 1.00 0.00 H new ATOM 0 HA TRP A 111 -11.095 8.439 10.331 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -9.312 7.108 8.278 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -9.219 6.651 9.967 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.663 7.526 8.524 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -14.122 5.394 8.394 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -9.065 4.085 9.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -13.743 2.629 8.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -9.691 1.705 9.760 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -12.000 0.988 9.298 1.00 0.00 H new ATOM 1752 N ASN A 112 -8.361 9.972 9.494 1.00 0.00 N ATOM 1753 CA ASN A 112 -7.205 10.697 10.007 1.00 0.00 C ATOM 1754 C ASN A 112 -7.411 12.204 9.888 1.00 0.00 C ATOM 1755 O ASN A 112 -6.763 12.868 9.078 1.00 0.00 O ATOM 1756 CB ASN A 112 -5.940 10.283 9.251 1.00 0.00 C ATOM 1757 CG ASN A 112 -4.674 10.729 9.955 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -4.310 10.192 11.002 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -3.995 11.717 9.383 1.00 0.00 N ATOM 0 H ASN A 112 -8.546 10.120 8.502 1.00 0.00 H new ATOM 0 HA ASN A 112 -7.089 10.446 11.061 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.926 9.199 9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.964 10.709 8.248 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.135 12.060 9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.333 12.133 8.515 1.00 0.00 H new ATOM 1766 N ASP A 113 -8.317 12.738 10.700 1.00 0.00 N ATOM 1767 CA ASP A 113 -8.608 14.167 10.688 1.00 0.00 C ATOM 1768 C ASP A 113 -9.018 14.626 9.292 1.00 0.00 C ATOM 1769 O ASP A 113 -8.604 15.689 8.831 1.00 0.00 O ATOM 1770 CB ASP A 113 -7.390 14.961 11.162 1.00 0.00 C ATOM 1771 CG ASP A 113 -6.895 14.504 12.520 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -7.731 14.339 13.433 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -5.670 14.311 12.670 1.00 0.00 O ATOM 0 H ASP A 113 -8.863 12.202 11.375 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.439 14.350 11.370 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.587 14.859 10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.646 16.020 11.209 1.00 0.00 H new ATOM 1778 N ASN A 114 -9.832 13.815 8.623 1.00 0.00 N ATOM 1779 CA ASN A 114 -10.297 14.138 7.279 1.00 0.00 C ATOM 1780 C ASN A 114 -9.155 14.682 6.425 1.00 0.00 C ATOM 1781 O ASN A 114 -9.363 15.535 5.562 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.434 15.159 7.341 1.00 0.00 C ATOM 1783 CG ASN A 114 -11.194 16.229 8.389 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -11.468 16.026 9.572 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -10.681 17.375 7.959 1.00 0.00 N ATOM 0 H ASN A 114 -10.183 12.930 8.990 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.667 13.221 6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.549 15.630 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.370 14.644 7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.498 18.131 8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.469 17.499 6.969 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.949 14.182 6.671 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.774 14.615 5.925 1.00 0.00 C ATOM 1794 C LYS A 115 -6.660 13.861 4.604 1.00 0.00 C ATOM 1795 O LYS A 115 -7.014 12.685 4.516 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.508 14.401 6.758 1.00 0.00 C ATOM 1797 CG LYS A 115 -5.255 15.501 7.775 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.818 16.791 7.103 1.00 0.00 C ATOM 1799 CE LYS A 115 -5.023 17.992 8.015 1.00 0.00 C ATOM 1800 NZ LYS A 115 -6.405 18.536 7.912 1.00 0.00 N ATOM 0 H LYS A 115 -7.760 13.476 7.382 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.883 15.678 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.583 13.447 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.650 14.332 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.162 15.680 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.488 15.178 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.767 16.719 6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.383 16.932 6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.822 17.703 9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.306 18.771 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.505 19.353 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.588 18.835 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.089 17.801 8.183 1.00 0.00 H new ATOM 1814 N LYS A 116 -6.162 14.545 3.579 1.00 0.00 N ATOM 1815 CA LYS A 116 -5.999 13.940 2.262 1.00 0.00 C ATOM 1816 C LYS A 116 -5.388 12.546 2.376 1.00 0.00 C ATOM 1817 O LYS A 116 -4.730 12.225 3.366 1.00 0.00 O ATOM 1818 CB LYS A 116 -5.116 14.824 1.378 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.577 14.110 0.150 1.00 0.00 C ATOM 1820 CD LYS A 116 -3.918 15.082 -0.815 1.00 0.00 C ATOM 1821 CE LYS A 116 -4.737 16.355 -0.970 1.00 0.00 C ATOM 1822 NZ LYS A 116 -6.179 16.062 -1.194 1.00 0.00 N ATOM 0 H LYS A 116 -5.864 15.519 3.635 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.985 13.850 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.690 15.694 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.279 15.194 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.855 13.353 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.390 13.589 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.920 15.332 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.797 14.605 -1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.626 16.970 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.350 16.936 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.708 16.955 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.291 15.526 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.547 15.500 -0.400 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.611 11.723 1.357 1.00 0.00 N ATOM 1837 CA VAL A 117 -5.080 10.365 1.342 1.00 0.00 C ATOM 1838 C VAL A 117 -3.556 10.369 1.373 1.00 0.00 C ATOM 1839 O VAL A 117 -2.942 9.730 2.227 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.555 9.591 0.097 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.300 8.101 0.266 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -7.028 9.861 -0.168 1.00 0.00 C ATOM 0 H VAL A 117 -6.155 11.972 0.531 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.457 9.868 2.236 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.985 9.938 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.642 7.570 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.233 7.928 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.843 7.736 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.346 9.306 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.617 9.543 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.178 10.928 -0.336 1.00 0.00 H new ATOM 1852 N GLN A 118 -2.953 11.095 0.438 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.499 11.182 0.359 1.00 0.00 C ATOM 1854 C GLN A 118 -0.895 11.462 1.731 1.00 0.00 C ATOM 1855 O GLN A 118 0.193 10.983 2.050 1.00 0.00 O ATOM 1856 CB GLN A 118 -1.086 12.277 -0.627 1.00 0.00 C ATOM 1857 CG GLN A 118 -0.923 13.645 0.017 1.00 0.00 C ATOM 1858 CD GLN A 118 0.470 13.865 0.573 1.00 0.00 C ATOM 1859 OE1 GLN A 118 1.161 12.915 0.943 1.00 0.00 O ATOM 1860 NE2 GLN A 118 0.891 15.123 0.636 1.00 0.00 N ATOM 0 H GLN A 118 -3.448 11.631 -0.275 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.121 10.223 0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.146 11.993 -1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.833 12.343 -1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.142 14.418 -0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.652 13.754 0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.286 15.880 0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.820 15.332 1.002 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.608 12.242 2.537 1.00 0.00 N ATOM 1870 CA ILE A 119 -1.142 12.585 3.875 1.00 0.00 C ATOM 1871 C ILE A 119 -1.274 11.398 4.824 1.00 0.00 C ATOM 1872 O ILE A 119 -2.097 11.410 5.739 1.00 0.00 O ATOM 1873 CB ILE A 119 -1.922 13.780 4.454 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -1.823 14.984 3.516 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -1.398 14.134 5.837 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -2.674 16.158 3.947 1.00 0.00 C ATOM 0 H ILE A 119 -2.510 12.648 2.287 1.00 0.00 H new ATOM 0 HA ILE A 119 -0.091 12.858 3.783 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.972 13.500 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.782 15.303 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.121 14.678 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.959 14.980 6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -1.516 13.278 6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.343 14.398 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.554 16.975 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.721 15.856 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.361 16.490 4.937 1.00 0.00 H new ATOM 1888 N SER A 120 -0.455 10.375 4.600 1.00 0.00 N ATOM 1889 CA SER A 120 -0.481 9.179 5.434 1.00 0.00 C ATOM 1890 C SER A 120 0.922 8.605 5.605 1.00 0.00 C ATOM 1891 O SER A 120 1.597 8.285 4.626 1.00 0.00 O ATOM 1892 CB SER A 120 -1.405 8.124 4.821 1.00 0.00 C ATOM 1893 OG SER A 120 -2.733 8.273 5.293 1.00 0.00 O ATOM 0 H SER A 120 0.234 10.351 3.848 1.00 0.00 H new ATOM 0 HA SER A 120 -0.862 9.459 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.390 8.210 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.038 7.128 5.067 1.00 0.00 H new ATOM 0 HG SER A 120 -2.894 9.211 5.527 1.00 0.00 H new ATOM 1899 N ARG A 121 1.355 8.479 6.855 1.00 0.00 N ATOM 1900 CA ARG A 121 2.678 7.945 7.156 1.00 0.00 C ATOM 1901 C ARG A 121 2.720 6.437 6.929 1.00 0.00 C ATOM 1902 O ARG A 121 1.683 5.772 6.911 1.00 0.00 O ATOM 1903 CB ARG A 121 3.064 8.266 8.601 1.00 0.00 C ATOM 1904 CG ARG A 121 3.017 9.749 8.929 1.00 0.00 C ATOM 1905 CD ARG A 121 4.204 10.489 8.332 1.00 0.00 C ATOM 1906 NE ARG A 121 4.130 11.927 8.575 1.00 0.00 N ATOM 1907 CZ ARG A 121 4.642 12.519 9.648 1.00 0.00 C ATOM 1908 NH1 ARG A 121 5.262 11.799 10.573 1.00 0.00 N ATOM 1909 NH2 ARG A 121 4.535 13.833 9.798 1.00 0.00 N ATOM 0 H ARG A 121 0.809 8.740 7.676 1.00 0.00 H new ATOM 0 HA ARG A 121 3.395 8.416 6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.393 7.732 9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.070 7.892 8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.090 10.178 8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.009 9.884 10.011 1.00 0.00 H new ATOM 0 HD2 ARG A 121 5.127 10.096 8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 121 4.244 10.304 7.259 1.00 0.00 H new ATOM 0 HE ARG A 121 3.659 12.509 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.346 10.789 10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 121 5.655 12.256 11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.059 14.390 9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.929 14.286 10.623 1.00 0.00 H new ATOM 1923 N ASP A 122 3.924 5.904 6.755 1.00 0.00 N ATOM 1924 CA ASP A 122 4.102 4.474 6.530 1.00 0.00 C ATOM 1925 C ASP A 122 3.367 3.661 7.592 1.00 0.00 C ATOM 1926 O ASP A 122 3.623 3.805 8.786 1.00 0.00 O ATOM 1927 CB ASP A 122 5.589 4.116 6.535 1.00 0.00 C ATOM 1928 CG ASP A 122 6.278 4.522 7.823 1.00 0.00 C ATOM 1929 OD1 ASP A 122 6.043 3.860 8.856 1.00 0.00 O ATOM 1930 OD2 ASP A 122 7.052 5.501 7.797 1.00 0.00 O ATOM 0 H ASP A 122 4.791 6.440 6.765 1.00 0.00 H new ATOM 0 HA ASP A 122 3.681 4.230 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.702 3.042 6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 122 6.080 4.605 5.694 1.00 0.00 H new ATOM 1935 N GLY A 123 2.451 2.806 7.146 1.00 0.00 N ATOM 1936 CA GLY A 123 1.692 1.984 8.071 1.00 0.00 C ATOM 1937 C GLY A 123 0.476 2.702 8.622 1.00 0.00 C ATOM 1938 O GLY A 123 0.201 2.640 9.820 1.00 0.00 O ATOM 0 H GLY A 123 2.221 2.668 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.374 1.073 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.336 1.682 8.896 1.00 0.00 H new ATOM 1942 N GLN A 124 -0.252 3.387 7.746 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.444 4.122 8.153 1.00 0.00 C ATOM 1944 C GLN A 124 -2.707 3.429 7.654 1.00 0.00 C ATOM 1945 O GLN A 124 -2.825 3.110 6.471 1.00 0.00 O ATOM 1946 CB GLN A 124 -1.390 5.556 7.623 1.00 0.00 C ATOM 1947 CG GLN A 124 -2.352 6.500 8.325 1.00 0.00 C ATOM 1948 CD GLN A 124 -1.849 6.941 9.685 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -0.760 7.503 9.805 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -2.641 6.688 10.720 1.00 0.00 N ATOM 0 H GLN A 124 -0.038 3.448 6.751 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.472 4.146 9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.375 5.937 7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -1.614 5.549 6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -2.514 7.378 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.318 6.008 8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -3.536 6.220 10.575 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -2.355 6.962 11.660 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.650 3.201 8.563 1.00 0.00 N ATOM 1960 CA GLU A 125 -4.904 2.544 8.214 1.00 0.00 C ATOM 1961 C GLU A 125 -5.747 3.432 7.302 1.00 0.00 C ATOM 1962 O GLU A 125 -6.080 4.564 7.654 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.694 2.198 9.478 1.00 0.00 C ATOM 1964 CG GLU A 125 -6.570 0.966 9.330 1.00 0.00 C ATOM 1965 CD GLU A 125 -6.754 0.221 10.638 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -5.741 -0.048 11.316 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -7.913 -0.093 10.983 1.00 0.00 O ATOM 0 H GLU A 125 -3.569 3.461 9.546 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.666 1.624 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -4.996 2.041 10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.320 3.048 9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.546 1.263 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.127 0.296 8.594 1.00 0.00 H new ATOM 1974 N LEU A 126 -6.087 2.910 6.129 1.00 0.00 N ATOM 1975 CA LEU A 126 -6.891 3.653 5.165 1.00 0.00 C ATOM 1976 C LEU A 126 -8.320 3.123 5.123 1.00 0.00 C ATOM 1977 O LEU A 126 -8.562 1.943 5.375 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.262 3.567 3.773 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.818 4.531 2.724 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.537 5.972 3.122 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -6.227 4.229 1.355 1.00 0.00 C ATOM 0 H LEU A 126 -5.818 1.975 5.822 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.920 4.696 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.191 3.744 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.385 2.549 3.403 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.898 4.394 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.940 6.644 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.009 6.183 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.461 6.123 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.634 4.925 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.143 4.337 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.480 3.209 1.067 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.263 4.003 4.801 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.669 3.622 4.725 1.00 0.00 C ATOM 1995 C GLU A 127 -10.971 2.916 3.406 1.00 0.00 C ATOM 1996 O GLU A 127 -10.484 3.300 2.342 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.563 4.855 4.873 1.00 0.00 C ATOM 1998 CG GLU A 127 -12.975 4.531 5.331 1.00 0.00 C ATOM 1999 CD GLU A 127 -13.799 5.774 5.604 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -13.746 6.714 4.783 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.499 5.806 6.638 1.00 0.00 O ATOM 0 H GLU A 127 -9.079 4.984 4.589 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.877 2.931 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.107 5.541 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.611 5.376 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.471 3.931 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -12.929 3.924 6.235 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.792 1.859 3.476 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.178 1.077 2.298 1.00 0.00 C ATOM 2010 C PRO A 128 -13.098 1.853 1.362 1.00 0.00 C ATOM 2011 O PRO A 128 -13.494 1.352 0.310 1.00 0.00 O ATOM 2012 CB PRO A 128 -12.914 -0.125 2.895 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.426 0.358 4.208 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.409 1.345 4.711 1.00 0.00 C ATOM 0 HA PRO A 128 -11.316 0.807 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.728 -0.452 2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.245 -0.977 3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.404 0.827 4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.547 -0.469 4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -12.875 2.143 5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -11.674 0.869 5.360 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.432 3.079 1.751 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.306 3.924 0.946 1.00 0.00 C ATOM 2024 C GLN A 129 -13.492 4.845 0.043 1.00 0.00 C ATOM 2025 O GLN A 129 -13.795 4.998 -1.140 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.221 4.754 1.848 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.535 4.065 2.180 1.00 0.00 C ATOM 2028 CD GLN A 129 -17.618 4.351 1.159 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -18.236 3.433 0.619 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -17.854 5.629 0.887 1.00 0.00 N ATOM 0 H GLN A 129 -13.111 3.509 2.618 1.00 0.00 H new ATOM 0 HA GLN A 129 -14.917 3.276 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -14.695 4.981 2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -15.432 5.706 1.360 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.372 2.989 2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -16.873 4.391 3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -17.318 6.358 1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -18.571 5.882 0.207 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.457 5.457 0.610 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.598 6.363 -0.144 1.00 0.00 C ATOM 2041 C VAL A 130 -10.431 5.613 -0.778 1.00 0.00 C ATOM 2042 O VAL A 130 -9.819 6.090 -1.733 1.00 0.00 O ATOM 2043 CB VAL A 130 -11.045 7.487 0.752 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -12.181 8.240 1.427 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -10.081 6.921 1.784 1.00 0.00 C ATOM 0 H VAL A 130 -12.193 5.342 1.589 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.213 6.803 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.497 8.191 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.771 9.030 2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.828 8.680 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.760 7.551 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.700 7.729 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.602 6.195 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.250 6.433 1.276 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.129 4.436 -0.240 1.00 0.00 N ATOM 2056 CA GLY A 131 -9.036 3.638 -0.767 1.00 0.00 C ATOM 2057 C GLY A 131 -9.413 2.909 -2.041 1.00 0.00 C ATOM 2058 O GLY A 131 -8.553 2.607 -2.867 1.00 0.00 O ATOM 0 H GLY A 131 -10.621 4.020 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.180 4.284 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.724 2.913 -0.015 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.702 2.623 -2.199 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.189 1.921 -3.380 1.00 0.00 C ATOM 2064 C GLU A 132 -11.276 2.866 -4.576 1.00 0.00 C ATOM 2065 O GLU A 132 -10.877 2.515 -5.686 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.560 1.302 -3.104 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.685 2.321 -3.030 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.045 1.677 -2.850 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.315 1.159 -1.746 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -15.840 1.690 -3.813 1.00 0.00 O ATOM 0 H GLU A 132 -11.427 2.867 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.482 1.126 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.787 0.579 -3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.518 0.751 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.498 3.003 -2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.688 2.920 -3.941 1.00 0.00 H new ATOM 2077 N GLN A 133 -11.802 4.063 -4.340 1.00 0.00 N ATOM 2078 CA GLN A 133 -11.943 5.057 -5.397 1.00 0.00 C ATOM 2079 C GLN A 133 -10.595 5.680 -5.743 1.00 0.00 C ATOM 2080 O GLN A 133 -10.471 6.412 -6.725 1.00 0.00 O ATOM 2081 CB GLN A 133 -12.929 6.147 -4.973 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.546 6.842 -3.676 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.614 7.802 -3.190 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.725 7.832 -3.721 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -13.283 8.592 -2.176 1.00 0.00 N ATOM 0 H GLN A 133 -12.138 4.368 -3.426 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.328 4.554 -6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.000 6.890 -5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -13.919 5.706 -4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.361 6.092 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.613 7.386 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.351 8.533 -1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -13.961 9.258 -1.806 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.587 5.386 -4.929 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.246 5.917 -5.148 1.00 0.00 C ATOM 2096 C LEU A 134 -7.495 5.089 -6.185 1.00 0.00 C ATOM 2097 O LEU A 134 -6.709 5.622 -6.970 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.465 5.940 -3.833 1.00 0.00 C ATOM 2099 CG LEU A 134 -5.950 6.108 -3.956 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.596 7.552 -4.273 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.258 5.656 -2.678 1.00 0.00 C ATOM 0 H LEU A 134 -9.673 4.783 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.342 6.935 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -7.852 6.752 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.665 5.012 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.600 5.482 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.514 7.651 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.061 7.842 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -5.959 8.199 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.181 5.783 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.614 6.256 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.484 4.606 -2.494 1.00 0.00 H new ATOM 2113 N LEU A 135 -7.743 3.784 -6.184 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.091 2.881 -7.127 1.00 0.00 C ATOM 2115 C LEU A 135 -7.666 3.051 -8.530 1.00 0.00 C ATOM 2116 O LEU A 135 -6.927 3.244 -9.494 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.253 1.431 -6.670 1.00 0.00 C ATOM 2118 CG LEU A 135 -6.770 1.115 -5.254 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -6.882 -0.375 -4.971 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.337 1.590 -5.062 1.00 0.00 C ATOM 0 H LEU A 135 -8.390 3.327 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.030 3.130 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.308 1.165 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.715 0.789 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.406 1.646 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.534 -0.580 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -7.922 -0.686 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.271 -0.928 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.009 1.357 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.688 1.086 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.286 2.667 -5.221 1.00 0.00 H new ATOM 2132 N GLN A 136 -8.989 2.980 -8.634 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.663 3.128 -9.919 1.00 0.00 C ATOM 2134 C GLN A 136 -9.059 4.275 -10.721 1.00 0.00 C ATOM 2135 O GLN A 136 -9.126 4.290 -11.951 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.159 3.368 -9.709 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.464 4.559 -8.816 1.00 0.00 C ATOM 2138 CD GLN A 136 -12.949 4.853 -8.721 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -13.718 4.055 -8.185 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -13.360 6.002 -9.243 1.00 0.00 N ATOM 0 H GLN A 136 -9.615 2.821 -7.845 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.526 2.204 -10.482 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.634 3.520 -10.678 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.604 2.474 -9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.070 4.370 -7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -10.947 5.438 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.688 6.634 -9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.348 6.253 -9.209 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.469 5.236 -10.019 1.00 0.00 N ATOM 2150 CA LEU A 137 -7.853 6.389 -10.666 1.00 0.00 C ATOM 2151 C LEU A 137 -6.883 5.947 -11.758 1.00 0.00 C ATOM 2152 O LEU A 137 -6.905 6.474 -12.870 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.119 7.246 -9.633 1.00 0.00 C ATOM 2154 CG LEU A 137 -7.995 8.162 -8.777 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.172 8.807 -7.672 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.659 9.225 -9.640 1.00 0.00 C ATOM 0 H LEU A 137 -8.404 5.240 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.644 6.982 -11.126 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.564 6.583 -8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.386 7.861 -10.155 1.00 0.00 H new ATOM 0 HG LEU A 137 -8.776 7.558 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -7.812 9.455 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.745 8.031 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.369 9.397 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.278 9.867 -9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -7.893 9.826 -10.131 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.282 8.744 -10.394 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.037 4.977 -11.432 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.061 4.462 -12.387 1.00 0.00 C ATOM 2170 C TRP A 138 -5.727 4.119 -13.715 1.00 0.00 C ATOM 2171 O TRP A 138 -5.139 4.304 -14.779 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.364 3.225 -11.817 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.107 3.545 -11.067 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -1.830 3.499 -11.550 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.006 3.958 -9.700 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -0.941 3.858 -10.565 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.638 4.146 -9.421 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -3.938 4.190 -8.685 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.182 4.552 -8.170 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.484 4.594 -7.444 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.117 4.772 -7.195 1.00 0.00 C ATOM 0 H TRP A 138 -6.006 4.531 -10.515 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.318 5.240 -12.565 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.052 2.703 -11.152 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.128 2.541 -12.633 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.559 3.221 -12.558 1.00 0.00 H new ATOM 0 HE1 TRP A 138 0.073 3.903 -10.669 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -4.994 4.056 -8.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.128 4.688 -7.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.196 4.776 -6.652 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -1.795 5.089 -6.214 1.00 0.00 H new ATOM 2192 N GLU A 139 -6.957 3.620 -13.644 1.00 0.00 N ATOM 2193 CA GLU A 139 -7.702 3.252 -14.842 1.00 0.00 C ATOM 2194 C GLU A 139 -7.900 4.460 -15.753 1.00 0.00 C ATOM 2195 O GLU A 139 -7.991 4.323 -16.973 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.059 2.656 -14.464 1.00 0.00 C ATOM 2197 CG GLU A 139 -8.961 1.454 -13.541 1.00 0.00 C ATOM 2198 CD GLU A 139 -10.268 0.693 -13.432 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -11.336 1.335 -13.504 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -10.221 -0.545 -13.275 1.00 0.00 O ATOM 0 H GLU A 139 -7.458 3.461 -12.770 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.123 2.503 -15.382 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.662 3.425 -13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.583 2.363 -15.373 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.184 0.783 -13.906 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.655 1.786 -12.549 1.00 0.00 H new ATOM 2207 N ARG A 140 -7.966 5.643 -15.150 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.155 6.876 -15.906 1.00 0.00 C ATOM 2209 C ARG A 140 -6.912 7.207 -16.725 1.00 0.00 C ATOM 2210 O ARG A 140 -7.002 7.821 -17.789 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.480 8.033 -14.960 1.00 0.00 C ATOM 2212 CG ARG A 140 -9.790 7.858 -14.210 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.242 9.160 -13.567 1.00 0.00 C ATOM 2214 NE ARG A 140 -10.933 10.029 -14.518 1.00 0.00 N ATOM 2215 CZ ARG A 140 -10.320 10.956 -15.245 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -9.011 11.134 -15.132 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -11.017 11.707 -16.088 1.00 0.00 N ATOM 0 H ARG A 140 -7.891 5.774 -14.141 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.991 6.730 -16.590 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.670 8.140 -14.239 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.520 8.959 -15.533 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.559 7.504 -14.896 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.672 7.094 -13.442 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -10.904 8.940 -12.729 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.377 9.683 -13.160 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.941 9.917 -14.629 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.472 10.558 -14.485 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.543 11.847 -15.692 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -12.024 11.572 -16.178 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -10.546 12.419 -16.646 1.00 0.00 H new ATOM 2231 N LEU A 141 -5.752 6.798 -16.223 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.490 7.051 -16.908 1.00 0.00 C ATOM 2233 C LEU A 141 -4.510 6.474 -18.320 1.00 0.00 C ATOM 2234 O LEU A 141 -4.070 7.119 -19.272 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.327 6.450 -16.116 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.267 6.813 -14.632 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.211 5.982 -13.922 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -2.987 8.299 -14.457 1.00 0.00 C ATOM 0 H LEU A 141 -5.660 6.290 -15.344 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.355 8.130 -16.979 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.377 5.365 -16.202 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.394 6.764 -16.584 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.236 6.591 -14.184 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.183 6.254 -12.867 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.456 4.924 -14.017 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.236 6.171 -14.372 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -2.948 8.539 -13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.032 8.546 -14.920 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -3.781 8.877 -14.931 1.00 0.00 H new TER 2250 LEU A 141