USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=34 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= 0.585 K(o=-1.4,f=-6.1!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -145:sc= -1.94! (180deg=-4.08!) USER MOD Set 2.1: A 59 SER OG : rot 140:sc= 0.025 USER MOD Set 2.2: A 63 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.269 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 16:sc= 0.304 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 30:sc= -0.283 USER MOD Single : A 13 MET CE :methyl -148:sc= 0 (180deg=-1.01) USER MOD Single : A 14 LYS NZ :NH3+ -108:sc= 0.147 (180deg=-3.21!) USER MOD Single : A 15 SER OG : rot -71:sc= 0.729 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.65! C(o=-3.7!,f=-10!) USER MOD Single : A 20 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.9!) USER MOD Single : A 24 SER OG : rot 17:sc= -2.02! USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 26 GLN : amide:sc= -0.0155 K(o=-0.015,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 0:sc= -1.16 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 33 THR OG1 : rot 70:sc= -1.03 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.75! C(o=-4.7!,f=-5.9!) USER MOD Single : A 39 LYS NZ :NH3+ 144:sc= -0.545 (180deg=-1.99) USER MOD Single : A 41 ASN : amide:sc= -8.12! C(o=-8.1!,f=-15!) USER MOD Single : A 47 SER OG : rot 140:sc= 0 USER MOD Single : A 48 SER OG : rot 103:sc= 0.286 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-3!) USER MOD Single : A 66 SER OG : rot -140:sc= -1.04 USER MOD Single : A 68 MET CE :methyl 176:sc= -0.178 (180deg=-0.215) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -133:sc= 1.25 USER MOD Single : A 76 LYS NZ :NH3+ -137:sc= 0.134 (180deg=-0.0718) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,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 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -5.65! C(o=-5.6!,f=-8.6!) USER MOD Single : A 109 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.6!) USER MOD Single : A 112 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.16) USER MOD Single : A 114 ASN :FLIP amide:sc= -1.66! C(o=-2.2!,f=-1.7!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.13) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.29) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN :FLIP amide:sc= -2.47 F(o=-3.2!,f=-2.5) USER MOD Single : A 136 GLN : amide:sc= -0.728 X(o=-0.73,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.636 -7.799 4.520 1.00 0.00 N ATOM 2 CA GLY A 1 -27.322 -7.551 3.958 1.00 0.00 C ATOM 3 C GLY A 1 -26.435 -6.749 4.889 1.00 0.00 C ATOM 4 O GLY A 1 -26.885 -5.786 5.510 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.204 -8.350 3.845 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.539 -8.332 5.408 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.109 -6.892 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.841 -8.503 3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.429 -7.017 3.014 1.00 0.00 H new ATOM 8 N SER A 2 -25.171 -7.147 4.988 1.00 0.00 N ATOM 9 CA SER A 2 -24.219 -6.462 5.855 1.00 0.00 C ATOM 10 C SER A 2 -23.208 -5.669 5.033 1.00 0.00 C ATOM 11 O SER A 2 -22.561 -6.209 4.136 1.00 0.00 O ATOM 12 CB SER A 2 -23.490 -7.470 6.746 1.00 0.00 C ATOM 13 OG SER A 2 -22.748 -8.394 5.969 1.00 0.00 O ATOM 0 H SER A 2 -24.782 -7.940 4.479 1.00 0.00 H new ATOM 0 HA SER A 2 -24.775 -5.767 6.484 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.821 -6.942 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.213 -8.005 7.362 1.00 0.00 H new ATOM 0 HG SER A 2 -22.558 -8.004 5.090 1.00 0.00 H new ATOM 19 N SER A 3 -23.078 -4.383 5.346 1.00 0.00 N ATOM 20 CA SER A 3 -22.149 -3.513 4.635 1.00 0.00 C ATOM 21 C SER A 3 -20.739 -3.644 5.202 1.00 0.00 C ATOM 22 O SER A 3 -20.556 -4.025 6.358 1.00 0.00 O ATOM 23 CB SER A 3 -22.613 -2.058 4.720 1.00 0.00 C ATOM 24 OG SER A 3 -23.909 -1.902 4.168 1.00 0.00 O ATOM 0 H SER A 3 -23.605 -3.921 6.087 1.00 0.00 H new ATOM 0 HA SER A 3 -22.130 -3.820 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.617 -1.735 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.909 -1.417 4.189 1.00 0.00 H new ATOM 0 HG SER A 3 -24.183 -0.964 4.236 1.00 0.00 H new ATOM 30 N GLY A 4 -19.745 -3.325 4.379 1.00 0.00 N ATOM 31 CA GLY A 4 -18.364 -3.413 4.816 1.00 0.00 C ATOM 32 C GLY A 4 -18.101 -4.640 5.667 1.00 0.00 C ATOM 33 O GLY A 4 -17.964 -4.540 6.886 1.00 0.00 O ATOM 0 H GLY A 4 -19.871 -3.007 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.711 -3.433 3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.109 -2.519 5.385 1.00 0.00 H new ATOM 37 N SER A 5 -18.033 -5.801 5.023 1.00 0.00 N ATOM 38 CA SER A 5 -17.791 -7.053 5.729 1.00 0.00 C ATOM 39 C SER A 5 -17.050 -8.045 4.837 1.00 0.00 C ATOM 40 O SER A 5 -17.480 -8.333 3.720 1.00 0.00 O ATOM 41 CB SER A 5 -19.114 -7.662 6.199 1.00 0.00 C ATOM 42 OG SER A 5 -19.588 -7.013 7.366 1.00 0.00 O ATOM 0 H SER A 5 -18.142 -5.900 4.014 1.00 0.00 H new ATOM 0 HA SER A 5 -17.169 -6.837 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.858 -7.580 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.978 -8.725 6.400 1.00 0.00 H new ATOM 0 HG SER A 5 -19.116 -6.162 7.482 1.00 0.00 H new ATOM 48 N SER A 6 -15.935 -8.564 5.340 1.00 0.00 N ATOM 49 CA SER A 6 -15.131 -9.521 4.589 1.00 0.00 C ATOM 50 C SER A 6 -14.571 -8.884 3.321 1.00 0.00 C ATOM 51 O SER A 6 -14.349 -9.560 2.318 1.00 0.00 O ATOM 52 CB SER A 6 -15.967 -10.750 4.229 1.00 0.00 C ATOM 53 OG SER A 6 -16.446 -11.401 5.393 1.00 0.00 O ATOM 0 H SER A 6 -15.568 -8.338 6.264 1.00 0.00 H new ATOM 0 HA SER A 6 -14.297 -9.830 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.808 -10.451 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.365 -11.444 3.642 1.00 0.00 H new ATOM 0 HG SER A 6 -16.979 -12.182 5.135 1.00 0.00 H new ATOM 59 N GLY A 7 -14.345 -7.574 3.375 1.00 0.00 N ATOM 60 CA GLY A 7 -13.813 -6.866 2.226 1.00 0.00 C ATOM 61 C GLY A 7 -12.332 -6.570 2.361 1.00 0.00 C ATOM 62 O GLY A 7 -11.746 -6.772 3.424 1.00 0.00 O ATOM 0 H GLY A 7 -14.521 -6.992 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.981 -7.460 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.357 -5.930 2.096 1.00 0.00 H new ATOM 66 N VAL A 8 -11.725 -6.091 1.280 1.00 0.00 N ATOM 67 CA VAL A 8 -10.303 -5.767 1.282 1.00 0.00 C ATOM 68 C VAL A 8 -10.048 -4.418 1.943 1.00 0.00 C ATOM 69 O VAL A 8 -10.882 -3.515 1.878 1.00 0.00 O ATOM 70 CB VAL A 8 -9.731 -5.743 -0.148 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.646 -4.958 -1.076 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.327 -5.157 -0.150 1.00 0.00 C ATOM 0 H VAL A 8 -12.196 -5.919 0.392 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.801 -6.548 1.853 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.673 -6.768 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.226 -4.952 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.631 -5.425 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.738 -3.934 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.938 -5.148 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.357 -4.138 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.678 -5.765 0.481 1.00 0.00 H new ATOM 82 N ARG A 9 -8.888 -4.287 2.580 1.00 0.00 N ATOM 83 CA ARG A 9 -8.523 -3.047 3.254 1.00 0.00 C ATOM 84 C ARG A 9 -7.532 -2.244 2.416 1.00 0.00 C ATOM 85 O ARG A 9 -7.178 -2.641 1.305 1.00 0.00 O ATOM 86 CB ARG A 9 -7.920 -3.347 4.628 1.00 0.00 C ATOM 87 CG ARG A 9 -8.951 -3.422 5.742 1.00 0.00 C ATOM 88 CD ARG A 9 -9.914 -4.581 5.533 1.00 0.00 C ATOM 89 NE ARG A 9 -11.081 -4.188 4.748 1.00 0.00 N ATOM 90 CZ ARG A 9 -11.976 -3.296 5.157 1.00 0.00 C ATOM 91 NH1 ARG A 9 -11.838 -2.707 6.337 1.00 0.00 N ATOM 92 NH2 ARG A 9 -13.011 -2.991 4.386 1.00 0.00 N ATOM 0 H ARG A 9 -8.186 -5.024 2.643 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.428 -2.453 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.380 -4.293 4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.190 -2.575 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.445 -3.536 6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.509 -2.487 5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.396 -5.397 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.240 -4.961 6.501 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.216 -4.623 3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.043 -2.939 6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.527 -2.022 6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.121 -3.442 3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.698 -2.306 4.701 1.00 0.00 H new ATOM 106 N TYR A 10 -7.087 -1.115 2.956 1.00 0.00 N ATOM 107 CA TYR A 10 -6.140 -0.255 2.257 1.00 0.00 C ATOM 108 C TYR A 10 -5.117 0.329 3.227 1.00 0.00 C ATOM 109 O TYR A 10 -5.476 0.897 4.259 1.00 0.00 O ATOM 110 CB TYR A 10 -6.878 0.874 1.537 1.00 0.00 C ATOM 111 CG TYR A 10 -7.888 0.386 0.523 1.00 0.00 C ATOM 112 CD1 TYR A 10 -9.024 -0.307 0.922 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.707 0.620 -0.835 1.00 0.00 C ATOM 114 CE1 TYR A 10 -9.949 -0.755 -0.001 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.627 0.177 -1.765 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.746 -0.511 -1.344 1.00 0.00 C ATOM 117 OH TYR A 10 -10.666 -0.954 -2.266 1.00 0.00 O ATOM 0 H TYR A 10 -7.367 -0.774 3.876 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.612 -0.862 1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.387 1.493 2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.150 1.511 1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.187 -0.499 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.832 1.158 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.826 -1.293 0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.471 0.368 -2.816 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.556 -0.972 -1.857 1.00 0.00 H new ATOM 127 N PHE A 11 -3.840 0.187 2.887 1.00 0.00 N ATOM 128 CA PHE A 11 -2.763 0.699 3.726 1.00 0.00 C ATOM 129 C PHE A 11 -1.731 1.449 2.889 1.00 0.00 C ATOM 130 O PHE A 11 -1.370 1.015 1.795 1.00 0.00 O ATOM 131 CB PHE A 11 -2.088 -0.447 4.483 1.00 0.00 C ATOM 132 CG PHE A 11 -3.057 -1.354 5.186 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.617 -2.436 4.527 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.407 -1.124 6.507 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.509 -3.272 5.172 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.299 -1.956 7.157 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.850 -3.032 6.489 1.00 0.00 C ATOM 0 H PHE A 11 -3.526 -0.279 2.036 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.196 1.394 4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.495 -1.035 3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.396 -0.030 5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.354 -2.629 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.978 -0.285 7.035 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.939 -4.112 4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.565 -1.765 8.186 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.546 -3.684 6.995 1.00 0.00 H new ATOM 147 N ILE A 12 -1.261 2.577 3.411 1.00 0.00 N ATOM 148 CA ILE A 12 -0.271 3.387 2.713 1.00 0.00 C ATOM 149 C ILE A 12 1.143 3.031 3.159 1.00 0.00 C ATOM 150 O ILE A 12 1.491 3.177 4.330 1.00 0.00 O ATOM 151 CB ILE A 12 -0.508 4.891 2.947 1.00 0.00 C ATOM 152 CG1 ILE A 12 -1.861 5.312 2.371 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.616 5.706 2.325 1.00 0.00 C ATOM 154 CD1 ILE A 12 -1.907 5.292 0.859 1.00 0.00 C ATOM 0 H ILE A 12 -1.550 2.950 4.315 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.379 3.172 1.650 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.517 5.080 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.634 4.649 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.099 6.317 2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.435 6.767 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.566 5.421 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.654 5.515 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.896 5.602 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.157 5.977 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.701 4.283 0.502 1.00 0.00 H new ATOM 166 N MET A 13 1.955 2.564 2.216 1.00 0.00 N ATOM 167 CA MET A 13 3.333 2.190 2.511 1.00 0.00 C ATOM 168 C MET A 13 4.312 3.153 1.847 1.00 0.00 C ATOM 169 O MET A 13 4.395 3.224 0.621 1.00 0.00 O ATOM 170 CB MET A 13 3.608 0.760 2.040 1.00 0.00 C ATOM 171 CG MET A 13 2.456 -0.197 2.298 1.00 0.00 C ATOM 172 SD MET A 13 1.609 0.140 3.854 1.00 0.00 S ATOM 173 CE MET A 13 2.773 -0.549 5.029 1.00 0.00 C ATOM 0 H MET A 13 1.682 2.436 1.242 1.00 0.00 H new ATOM 0 HA MET A 13 3.474 2.243 3.591 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.826 0.774 0.972 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.500 0.386 2.543 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.742 -0.129 1.478 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.833 -1.220 2.308 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.232 -0.940 5.890 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.334 -1.355 4.556 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.463 0.229 5.357 1.00 0.00 H new ATOM 183 N LYS A 14 5.053 3.894 2.665 1.00 0.00 N ATOM 184 CA LYS A 14 6.027 4.853 2.158 1.00 0.00 C ATOM 185 C LYS A 14 7.400 4.207 2.009 1.00 0.00 C ATOM 186 O LYS A 14 7.741 3.276 2.739 1.00 0.00 O ATOM 187 CB LYS A 14 6.119 6.061 3.093 1.00 0.00 C ATOM 188 CG LYS A 14 4.766 6.609 3.513 1.00 0.00 C ATOM 189 CD LYS A 14 4.058 7.294 2.356 1.00 0.00 C ATOM 190 CE LYS A 14 4.698 8.633 2.025 1.00 0.00 C ATOM 191 NZ LYS A 14 5.848 8.483 1.091 1.00 0.00 N ATOM 0 H LYS A 14 4.997 3.848 3.682 1.00 0.00 H new ATOM 0 HA LYS A 14 5.693 5.186 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.680 5.778 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.684 6.851 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.145 5.797 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.897 7.317 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.086 6.649 1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.008 7.444 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.952 9.292 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.037 9.111 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.737 8.651 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.852 7.520 0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.759 9.173 0.318 1.00 0.00 H new ATOM 205 N SER A 15 8.185 4.706 1.059 1.00 0.00 N ATOM 206 CA SER A 15 9.520 4.175 0.813 1.00 0.00 C ATOM 207 C SER A 15 10.553 5.298 0.773 1.00 0.00 C ATOM 208 O SER A 15 10.378 6.291 0.068 1.00 0.00 O ATOM 209 CB SER A 15 9.548 3.395 -0.502 1.00 0.00 C ATOM 210 OG SER A 15 8.442 2.513 -0.595 1.00 0.00 O ATOM 0 H SER A 15 7.919 5.478 0.447 1.00 0.00 H new ATOM 0 HA SER A 15 9.772 3.501 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.534 4.090 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.476 2.828 -0.573 1.00 0.00 H new ATOM 0 HG SER A 15 8.559 1.774 0.038 1.00 0.00 H new ATOM 216 N SER A 16 11.628 5.132 1.536 1.00 0.00 N ATOM 217 CA SER A 16 12.688 6.132 1.592 1.00 0.00 C ATOM 218 C SER A 16 13.136 6.527 0.188 1.00 0.00 C ATOM 219 O SER A 16 13.398 7.698 -0.084 1.00 0.00 O ATOM 220 CB SER A 16 13.880 5.599 2.389 1.00 0.00 C ATOM 221 OG SER A 16 13.634 5.671 3.783 1.00 0.00 O ATOM 0 H SER A 16 11.788 4.314 2.124 1.00 0.00 H new ATOM 0 HA SER A 16 12.293 7.017 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.079 4.566 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.772 6.175 2.144 1.00 0.00 H new ATOM 0 HG SER A 16 14.410 5.323 4.270 1.00 0.00 H new ATOM 227 N ASN A 17 13.222 5.541 -0.698 1.00 0.00 N ATOM 228 CA ASN A 17 13.639 5.785 -2.074 1.00 0.00 C ATOM 229 C ASN A 17 12.903 4.859 -3.038 1.00 0.00 C ATOM 230 O ASN A 17 12.149 3.980 -2.618 1.00 0.00 O ATOM 231 CB ASN A 17 15.150 5.587 -2.214 1.00 0.00 C ATOM 232 CG ASN A 17 15.940 6.509 -1.305 1.00 0.00 C ATOM 233 OD1 ASN A 17 15.679 6.588 -0.105 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.911 7.212 -1.876 1.00 0.00 N ATOM 0 H ASN A 17 13.009 4.566 -0.488 1.00 0.00 H new ATOM 0 HA ASN A 17 13.389 6.816 -2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.401 4.552 -1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.443 5.763 -3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.476 7.850 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 17 17.092 7.114 -2.875 1.00 0.00 H new ATOM 241 N LEU A 18 13.126 5.062 -4.332 1.00 0.00 N ATOM 242 CA LEU A 18 12.484 4.245 -5.356 1.00 0.00 C ATOM 243 C LEU A 18 13.112 2.856 -5.417 1.00 0.00 C ATOM 244 O LEU A 18 12.408 1.846 -5.412 1.00 0.00 O ATOM 245 CB LEU A 18 12.593 4.927 -6.721 1.00 0.00 C ATOM 246 CG LEU A 18 11.614 4.444 -7.792 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.179 3.014 -7.512 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.406 5.367 -7.865 1.00 0.00 C ATOM 0 H LEU A 18 13.746 5.785 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 18 11.432 4.136 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.449 5.998 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.607 4.787 -7.095 1.00 0.00 H new ATOM 0 HG LEU A 18 12.121 4.465 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.483 2.688 -8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.052 2.362 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.690 2.966 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.720 5.008 -8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.898 5.379 -6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.734 6.376 -8.114 1.00 0.00 H new ATOM 260 N ARG A 19 14.439 2.814 -5.472 1.00 0.00 N ATOM 261 CA ARG A 19 15.161 1.549 -5.532 1.00 0.00 C ATOM 262 C ARG A 19 14.515 0.510 -4.620 1.00 0.00 C ATOM 263 O ARG A 19 14.026 -0.519 -5.084 1.00 0.00 O ATOM 264 CB ARG A 19 16.624 1.752 -5.135 1.00 0.00 C ATOM 265 CG ARG A 19 17.336 0.465 -4.753 1.00 0.00 C ATOM 266 CD ARG A 19 17.335 -0.534 -5.899 1.00 0.00 C ATOM 267 NE ARG A 19 18.502 -1.410 -5.863 1.00 0.00 N ATOM 268 CZ ARG A 19 18.624 -2.502 -6.609 1.00 0.00 C ATOM 269 NH1 ARG A 19 17.656 -2.850 -7.445 1.00 0.00 N ATOM 270 NH2 ARG A 19 19.718 -3.249 -6.520 1.00 0.00 N ATOM 0 H ARG A 19 15.036 3.641 -5.476 1.00 0.00 H new ATOM 0 HA ARG A 19 15.118 1.184 -6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.155 2.219 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.671 2.446 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.363 0.688 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.849 0.023 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.428 -1.137 -5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.314 0.003 -6.848 1.00 0.00 H new ATOM 0 HE ARG A 19 19.265 -1.170 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.814 -2.278 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.753 -3.689 -8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.465 -2.984 -5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.811 -4.088 -7.093 1.00 0.00 H new ATOM 284 N ASN A 20 14.517 0.788 -3.320 1.00 0.00 N ATOM 285 CA ASN A 20 13.933 -0.123 -2.343 1.00 0.00 C ATOM 286 C ASN A 20 12.658 -0.761 -2.888 1.00 0.00 C ATOM 287 O ASN A 20 12.397 -1.943 -2.663 1.00 0.00 O ATOM 288 CB ASN A 20 13.628 0.620 -1.041 1.00 0.00 C ATOM 289 CG ASN A 20 14.742 1.568 -0.642 1.00 0.00 C ATOM 290 OD1 ASN A 20 15.892 1.397 -1.047 1.00 0.00 O ATOM 291 ND2 ASN A 20 14.405 2.575 0.156 1.00 0.00 N ATOM 0 H ASN A 20 14.917 1.637 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 20 14.656 -0.913 -2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.700 1.181 -1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.467 -0.104 -0.242 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.112 3.245 0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.439 2.678 0.467 1.00 0.00 H new ATOM 298 N LEU A 21 11.868 0.030 -3.606 1.00 0.00 N ATOM 299 CA LEU A 21 10.620 -0.457 -4.185 1.00 0.00 C ATOM 300 C LEU A 21 10.893 -1.462 -5.299 1.00 0.00 C ATOM 301 O LEU A 21 10.205 -2.476 -5.414 1.00 0.00 O ATOM 302 CB LEU A 21 9.797 0.712 -4.727 1.00 0.00 C ATOM 303 CG LEU A 21 8.306 0.443 -4.936 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.572 0.440 -3.604 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.704 1.478 -5.876 1.00 0.00 C ATOM 0 H LEU A 21 12.069 1.011 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 21 10.054 -0.958 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.901 1.553 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.227 1.022 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 21 8.194 -0.541 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.513 0.247 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.985 -0.339 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.692 1.410 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.643 1.271 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.827 2.473 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.210 1.432 -6.840 1.00 0.00 H new ATOM 317 N GLU A 22 11.902 -1.174 -6.115 1.00 0.00 N ATOM 318 CA GLU A 22 12.265 -2.055 -7.220 1.00 0.00 C ATOM 319 C GLU A 22 12.366 -3.503 -6.750 1.00 0.00 C ATOM 320 O GLU A 22 11.990 -4.428 -7.471 1.00 0.00 O ATOM 321 CB GLU A 22 13.594 -1.613 -7.837 1.00 0.00 C ATOM 322 CG GLU A 22 13.503 -0.304 -8.604 1.00 0.00 C ATOM 323 CD GLU A 22 14.779 0.019 -9.357 1.00 0.00 C ATOM 324 OE1 GLU A 22 15.669 0.666 -8.766 1.00 0.00 O ATOM 325 OE2 GLU A 22 14.887 -0.374 -10.538 1.00 0.00 O ATOM 0 H GLU A 22 12.482 -0.339 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 22 11.482 -1.991 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.336 -1.510 -7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.951 -2.394 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.673 -0.357 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.280 0.506 -7.909 1.00 0.00 H new ATOM 332 N ILE A 23 12.877 -3.691 -5.538 1.00 0.00 N ATOM 333 CA ILE A 23 13.027 -5.026 -4.972 1.00 0.00 C ATOM 334 C ILE A 23 11.698 -5.773 -4.965 1.00 0.00 C ATOM 335 O ILE A 23 11.653 -6.984 -5.182 1.00 0.00 O ATOM 336 CB ILE A 23 13.578 -4.970 -3.535 1.00 0.00 C ATOM 337 CG1 ILE A 23 15.055 -4.570 -3.548 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.393 -6.312 -2.844 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.289 -3.135 -3.965 1.00 0.00 C ATOM 0 H ILE A 23 13.194 -2.936 -4.929 1.00 0.00 H new ATOM 0 HA ILE A 23 13.737 -5.558 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 23 13.022 -4.217 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.473 -4.724 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.596 -5.230 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.787 -6.256 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.332 -6.559 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.927 -7.084 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.358 -2.922 -3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.901 -2.981 -4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.777 -2.467 -3.273 1.00 0.00 H new ATOM 351 N SER A 24 10.616 -5.042 -4.718 1.00 0.00 N ATOM 352 CA SER A 24 9.284 -5.636 -4.681 1.00 0.00 C ATOM 353 C SER A 24 8.759 -5.880 -6.092 1.00 0.00 C ATOM 354 O SER A 24 7.817 -6.647 -6.291 1.00 0.00 O ATOM 355 CB SER A 24 8.319 -4.729 -3.915 1.00 0.00 C ATOM 356 OG SER A 24 7.206 -5.460 -3.431 1.00 0.00 O ATOM 0 H SER A 24 10.635 -4.038 -4.541 1.00 0.00 H new ATOM 0 HA SER A 24 9.355 -6.595 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.841 -4.260 -3.081 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.975 -3.926 -4.567 1.00 0.00 H new ATOM 0 HG SER A 24 7.411 -6.418 -3.449 1.00 0.00 H new ATOM 362 N GLN A 25 9.376 -5.221 -7.068 1.00 0.00 N ATOM 363 CA GLN A 25 8.970 -5.366 -8.462 1.00 0.00 C ATOM 364 C GLN A 25 9.652 -6.569 -9.105 1.00 0.00 C ATOM 365 O GLN A 25 9.095 -7.204 -9.999 1.00 0.00 O ATOM 366 CB GLN A 25 9.304 -4.096 -9.246 1.00 0.00 C ATOM 367 CG GLN A 25 8.375 -2.931 -8.942 1.00 0.00 C ATOM 368 CD GLN A 25 8.739 -1.678 -9.713 1.00 0.00 C ATOM 369 OE1 GLN A 25 9.652 -1.687 -10.540 1.00 0.00 O ATOM 370 NE2 GLN A 25 8.024 -0.591 -9.447 1.00 0.00 N ATOM 0 H GLN A 25 10.158 -4.583 -6.920 1.00 0.00 H new ATOM 0 HA GLN A 25 7.892 -5.527 -8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.329 -3.800 -9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.261 -4.316 -10.313 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.351 -3.216 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.404 -2.717 -7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.277 -0.629 -8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.222 0.282 -9.936 1.00 0.00 H new ATOM 379 N GLN A 26 10.860 -6.875 -8.643 1.00 0.00 N ATOM 380 CA GLN A 26 11.618 -8.001 -9.176 1.00 0.00 C ATOM 381 C GLN A 26 11.498 -9.218 -8.264 1.00 0.00 C ATOM 382 O GLN A 26 11.040 -10.280 -8.685 1.00 0.00 O ATOM 383 CB GLN A 26 13.090 -7.619 -9.344 1.00 0.00 C ATOM 384 CG GLN A 26 13.299 -6.342 -10.142 1.00 0.00 C ATOM 385 CD GLN A 26 13.331 -6.587 -11.637 1.00 0.00 C ATOM 386 OE1 GLN A 26 12.952 -7.659 -12.111 1.00 0.00 O ATOM 387 NE2 GLN A 26 13.784 -5.592 -12.391 1.00 0.00 N ATOM 0 H GLN A 26 11.334 -6.360 -7.902 1.00 0.00 H new ATOM 0 HA GLN A 26 11.203 -8.257 -10.151 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.541 -7.500 -8.359 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.615 -8.437 -9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.500 -5.638 -9.910 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.234 -5.875 -9.834 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.088 -4.721 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.828 -5.699 -13.404 1.00 0.00 H new ATOM 396 N LYS A 27 11.911 -9.056 -7.011 1.00 0.00 N ATOM 397 CA LYS A 27 11.849 -10.140 -6.038 1.00 0.00 C ATOM 398 C LYS A 27 10.403 -10.535 -5.755 1.00 0.00 C ATOM 399 O LYS A 27 10.108 -11.700 -5.495 1.00 0.00 O ATOM 400 CB LYS A 27 12.539 -9.724 -4.737 1.00 0.00 C ATOM 401 CG LYS A 27 13.860 -9.006 -4.952 1.00 0.00 C ATOM 402 CD LYS A 27 14.795 -9.811 -5.839 1.00 0.00 C ATOM 403 CE LYS A 27 16.215 -9.268 -5.790 1.00 0.00 C ATOM 404 NZ LYS A 27 17.224 -10.330 -6.057 1.00 0.00 N ATOM 0 H LYS A 27 12.293 -8.183 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 27 12.367 -11.002 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.870 -9.075 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.712 -10.611 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.676 -8.032 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.337 -8.824 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.792 -10.854 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.432 -9.790 -6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.324 -8.470 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.402 -8.827 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.179 -9.920 -6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.137 -11.079 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.062 -10.733 -7.002 1.00 0.00 H new ATOM 418 N GLY A 28 9.505 -9.556 -5.810 1.00 0.00 N ATOM 419 CA GLY A 28 8.101 -9.823 -5.559 1.00 0.00 C ATOM 420 C GLY A 28 7.770 -9.842 -4.080 1.00 0.00 C ATOM 421 O GLY A 28 6.850 -10.539 -3.652 1.00 0.00 O ATOM 0 H GLY A 28 9.725 -8.583 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.496 -9.063 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.832 -10.783 -6.001 1.00 0.00 H new ATOM 425 N ILE A 29 8.522 -9.075 -3.297 1.00 0.00 N ATOM 426 CA ILE A 29 8.303 -9.008 -1.858 1.00 0.00 C ATOM 427 C ILE A 29 8.528 -7.594 -1.333 1.00 0.00 C ATOM 428 O ILE A 29 9.178 -6.775 -1.984 1.00 0.00 O ATOM 429 CB ILE A 29 9.231 -9.977 -1.101 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.638 -9.946 -1.703 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.665 -11.388 -1.137 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.466 -8.767 -1.242 1.00 0.00 C ATOM 0 H ILE A 29 9.288 -8.492 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 29 7.267 -9.298 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 29 9.294 -9.658 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.157 -10.868 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.559 -9.922 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.332 -12.061 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.682 -11.398 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.575 -11.718 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.450 -8.809 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.969 -7.840 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.576 -8.801 -0.158 1.00 0.00 H new ATOM 444 N TRP A 30 7.988 -7.314 -0.153 1.00 0.00 N ATOM 445 CA TRP A 30 8.131 -5.998 0.461 1.00 0.00 C ATOM 446 C TRP A 30 8.449 -6.122 1.947 1.00 0.00 C ATOM 447 O TRP A 30 7.861 -6.943 2.650 1.00 0.00 O ATOM 448 CB TRP A 30 6.853 -5.180 0.266 1.00 0.00 C ATOM 449 CG TRP A 30 6.923 -3.814 0.878 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.156 -3.334 1.901 1.00 0.00 C ATOM 451 CD2 TRP A 30 7.808 -2.752 0.505 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.510 -2.037 2.186 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.522 -1.658 1.344 1.00 0.00 C ATOM 454 CE3 TRP A 30 8.815 -2.620 -0.454 1.00 0.00 C ATOM 455 CZ2 TRP A 30 8.207 -0.449 1.250 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.494 -1.420 -0.547 1.00 0.00 C ATOM 457 CH2 TRP A 30 9.188 -0.347 0.301 1.00 0.00 C ATOM 0 H TRP A 30 7.447 -7.980 0.398 1.00 0.00 H new ATOM 0 HA TRP A 30 8.960 -5.485 -0.027 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.652 -5.082 -0.801 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.013 -5.722 0.700 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.385 -3.892 2.411 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.088 -1.452 2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.059 -3.442 -1.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.972 0.379 1.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.274 -1.307 -1.286 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.737 0.578 0.204 1.00 0.00 H new ATOM 468 N SER A 31 9.382 -5.301 2.418 1.00 0.00 N ATOM 469 CA SER A 31 9.780 -5.322 3.821 1.00 0.00 C ATOM 470 C SER A 31 9.431 -4.003 4.504 1.00 0.00 C ATOM 471 O SER A 31 9.945 -2.945 4.139 1.00 0.00 O ATOM 472 CB SER A 31 11.282 -5.591 3.943 1.00 0.00 C ATOM 473 OG SER A 31 12.033 -4.421 3.667 1.00 0.00 O ATOM 0 H SER A 31 9.876 -4.613 1.849 1.00 0.00 H new ATOM 0 HA SER A 31 9.233 -6.124 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.511 -5.945 4.948 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.570 -6.383 3.252 1.00 0.00 H new ATOM 0 HG SER A 31 11.423 -3.683 3.456 1.00 0.00 H new ATOM 479 N THR A 32 8.553 -4.074 5.500 1.00 0.00 N ATOM 480 CA THR A 32 8.133 -2.888 6.235 1.00 0.00 C ATOM 481 C THR A 32 8.380 -3.051 7.730 1.00 0.00 C ATOM 482 O THR A 32 8.717 -4.139 8.200 1.00 0.00 O ATOM 483 CB THR A 32 6.641 -2.583 6.003 1.00 0.00 C ATOM 484 OG1 THR A 32 6.353 -1.232 6.380 1.00 0.00 O ATOM 485 CG2 THR A 32 5.763 -3.535 6.802 1.00 0.00 C ATOM 0 H THR A 32 8.119 -4.941 5.816 1.00 0.00 H new ATOM 0 HA THR A 32 8.729 -2.056 5.860 1.00 0.00 H new ATOM 0 HB THR A 32 6.426 -2.718 4.943 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.403 -1.045 6.228 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.714 -3.300 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.963 -4.561 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.982 -3.427 7.864 1.00 0.00 H new ATOM 493 N THR A 33 8.212 -1.963 8.475 1.00 0.00 N ATOM 494 CA THR A 33 8.417 -1.985 9.918 1.00 0.00 C ATOM 495 C THR A 33 7.504 -3.006 10.588 1.00 0.00 C ATOM 496 O THR A 33 6.342 -3.171 10.217 1.00 0.00 O ATOM 497 CB THR A 33 8.166 -0.600 10.543 1.00 0.00 C ATOM 498 OG1 THR A 33 8.820 -0.510 11.813 1.00 0.00 O ATOM 499 CG2 THR A 33 6.676 -0.346 10.714 1.00 0.00 C ATOM 0 H THR A 33 7.934 -1.055 8.103 1.00 0.00 H new ATOM 0 HA THR A 33 9.457 -2.267 10.085 1.00 0.00 H new ATOM 0 HB THR A 33 8.572 0.157 9.872 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.790 -0.481 11.680 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.523 0.638 11.157 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.186 -0.386 9.741 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.250 -1.108 11.367 1.00 0.00 H new ATOM 507 N PRO A 34 8.039 -3.706 11.598 1.00 0.00 N ATOM 508 CA PRO A 34 7.288 -4.722 12.342 1.00 0.00 C ATOM 509 C PRO A 34 6.195 -4.112 13.214 1.00 0.00 C ATOM 510 O PRO A 34 5.522 -4.817 13.965 1.00 0.00 O ATOM 511 CB PRO A 34 8.357 -5.387 13.212 1.00 0.00 C ATOM 512 CG PRO A 34 9.414 -4.350 13.373 1.00 0.00 C ATOM 513 CD PRO A 34 9.418 -3.561 12.093 1.00 0.00 C ATOM 0 HA PRO A 34 6.769 -5.413 11.678 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.950 -5.690 14.177 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.752 -6.285 12.736 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.203 -3.707 14.227 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.387 -4.808 13.552 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.675 -2.516 12.266 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.144 -3.954 11.381 1.00 0.00 H new ATOM 521 N SER A 35 6.025 -2.798 13.108 1.00 0.00 N ATOM 522 CA SER A 35 5.016 -2.093 13.890 1.00 0.00 C ATOM 523 C SER A 35 3.706 -1.985 13.115 1.00 0.00 C ATOM 524 O SER A 35 2.655 -1.699 13.687 1.00 0.00 O ATOM 525 CB SER A 35 5.515 -0.697 14.267 1.00 0.00 C ATOM 526 OG SER A 35 4.887 -0.233 15.449 1.00 0.00 O ATOM 0 H SER A 35 6.573 -2.200 12.489 1.00 0.00 H new ATOM 0 HA SER A 35 4.834 -2.664 14.801 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.595 -0.720 14.410 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.317 -0.004 13.450 1.00 0.00 H new ATOM 0 HG SER A 35 5.224 0.660 15.669 1.00 0.00 H new ATOM 532 N ASN A 36 3.778 -2.216 11.808 1.00 0.00 N ATOM 533 CA ASN A 36 2.599 -2.144 10.952 1.00 0.00 C ATOM 534 C ASN A 36 2.380 -3.463 10.216 1.00 0.00 C ATOM 535 O ASN A 36 1.599 -3.532 9.268 1.00 0.00 O ATOM 536 CB ASN A 36 2.744 -1.002 9.944 1.00 0.00 C ATOM 537 CG ASN A 36 3.471 0.194 10.526 1.00 0.00 C ATOM 538 OD1 ASN A 36 3.427 0.435 11.733 1.00 0.00 O ATOM 539 ND2 ASN A 36 4.146 0.951 9.669 1.00 0.00 N ATOM 0 H ASN A 36 4.640 -2.455 11.318 1.00 0.00 H new ATOM 0 HA ASN A 36 1.732 -1.953 11.585 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.284 -1.361 9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.755 -0.693 9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.655 1.769 10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.155 0.714 8.677 1.00 0.00 H new ATOM 546 N GLU A 37 3.075 -4.505 10.661 1.00 0.00 N ATOM 547 CA GLU A 37 2.956 -5.821 10.044 1.00 0.00 C ATOM 548 C GLU A 37 1.711 -6.547 10.546 1.00 0.00 C ATOM 549 O GLU A 37 0.940 -7.096 9.760 1.00 0.00 O ATOM 550 CB GLU A 37 4.201 -6.660 10.336 1.00 0.00 C ATOM 551 CG GLU A 37 5.424 -6.231 9.542 1.00 0.00 C ATOM 552 CD GLU A 37 5.272 -6.483 8.054 1.00 0.00 C ATOM 553 OE1 GLU A 37 4.488 -5.759 7.406 1.00 0.00 O ATOM 554 OE2 GLU A 37 5.938 -7.405 7.539 1.00 0.00 O ATOM 0 H GLU A 37 3.726 -4.464 11.446 1.00 0.00 H new ATOM 0 HA GLU A 37 2.865 -5.682 8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.429 -6.598 11.400 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.984 -7.705 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.608 -5.170 9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.298 -6.768 9.910 1.00 0.00 H new ATOM 561 N ARG A 38 1.523 -6.545 11.862 1.00 0.00 N ATOM 562 CA ARG A 38 0.374 -7.204 12.470 1.00 0.00 C ATOM 563 C ARG A 38 -0.862 -7.071 11.585 1.00 0.00 C ATOM 564 O ARG A 38 -1.430 -8.068 11.139 1.00 0.00 O ATOM 565 CB ARG A 38 0.090 -6.611 13.852 1.00 0.00 C ATOM 566 CG ARG A 38 -1.159 -7.172 14.511 1.00 0.00 C ATOM 567 CD ARG A 38 -2.389 -6.347 14.166 1.00 0.00 C ATOM 568 NE ARG A 38 -3.587 -6.845 14.836 1.00 0.00 N ATOM 569 CZ ARG A 38 -4.652 -6.094 15.093 1.00 0.00 C ATOM 570 NH1 ARG A 38 -4.666 -4.816 14.739 1.00 0.00 N ATOM 571 NH2 ARG A 38 -5.705 -6.620 15.706 1.00 0.00 N ATOM 0 H ARG A 38 2.152 -6.094 12.527 1.00 0.00 H new ATOM 0 HA ARG A 38 0.611 -8.263 12.577 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.947 -6.796 14.500 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.013 -5.530 13.760 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.309 -8.203 14.190 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.024 -7.191 15.592 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.220 -5.308 14.450 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.544 -6.361 13.087 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.607 -7.824 15.123 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.858 -4.408 14.269 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.485 -4.241 14.937 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.697 -7.602 15.981 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.522 -6.042 15.903 1.00 0.00 H new ATOM 585 N LYS A 39 -1.272 -5.832 11.333 1.00 0.00 N ATOM 586 CA LYS A 39 -2.439 -5.567 10.501 1.00 0.00 C ATOM 587 C LYS A 39 -2.358 -6.340 9.188 1.00 0.00 C ATOM 588 O LYS A 39 -3.207 -7.184 8.900 1.00 0.00 O ATOM 589 CB LYS A 39 -2.557 -4.068 10.216 1.00 0.00 C ATOM 590 CG LYS A 39 -1.251 -3.426 9.782 1.00 0.00 C ATOM 591 CD LYS A 39 -1.167 -1.976 10.227 1.00 0.00 C ATOM 592 CE LYS A 39 -2.298 -1.146 9.638 1.00 0.00 C ATOM 593 NZ LYS A 39 -3.514 -1.178 10.497 1.00 0.00 N ATOM 0 H LYS A 39 -0.813 -4.996 11.694 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.324 -5.899 11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.304 -3.913 9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.920 -3.564 11.112 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.414 -3.985 10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.161 -3.480 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.206 -1.925 11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.209 -1.556 9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.966 -0.115 9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.545 -1.521 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.983 -0.250 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.168 -1.907 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.242 -1.399 11.476 1.00 0.00 H new ATOM 607 N LEU A 40 -1.332 -6.047 8.397 1.00 0.00 N ATOM 608 CA LEU A 40 -1.139 -6.716 7.115 1.00 0.00 C ATOM 609 C LEU A 40 -1.279 -8.227 7.263 1.00 0.00 C ATOM 610 O LEU A 40 -1.820 -8.899 6.386 1.00 0.00 O ATOM 611 CB LEU A 40 0.236 -6.373 6.540 1.00 0.00 C ATOM 612 CG LEU A 40 0.607 -4.889 6.526 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.030 -4.700 6.023 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.373 -4.103 5.667 1.00 0.00 C ATOM 0 H LEU A 40 -0.621 -5.351 8.621 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.910 -6.364 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.992 -6.910 7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.284 -6.749 5.518 1.00 0.00 H new ATOM 0 HG LEU A 40 0.551 -4.510 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.277 -3.638 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.721 -5.231 6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.113 -5.095 5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.094 -3.049 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.348 -4.484 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.380 -4.212 6.071 1.00 0.00 H new ATOM 626 N ASN A 41 -0.789 -8.755 8.380 1.00 0.00 N ATOM 627 CA ASN A 41 -0.860 -10.188 8.644 1.00 0.00 C ATOM 628 C ASN A 41 -2.291 -10.611 8.962 1.00 0.00 C ATOM 629 O ASN A 41 -2.928 -11.318 8.180 1.00 0.00 O ATOM 630 CB ASN A 41 0.063 -10.560 9.806 1.00 0.00 C ATOM 631 CG ASN A 41 1.483 -10.836 9.350 1.00 0.00 C ATOM 632 OD1 ASN A 41 2.297 -9.921 9.229 1.00 0.00 O ATOM 633 ND2 ASN A 41 1.786 -12.103 9.093 1.00 0.00 N ATOM 0 H ASN A 41 -0.339 -8.212 9.117 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.534 -10.714 7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.069 -9.750 10.535 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.331 -11.441 10.312 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.725 -12.350 8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.079 -12.830 9.207 1.00 0.00 H new ATOM 640 N ARG A 42 -2.790 -10.174 10.113 1.00 0.00 N ATOM 641 CA ARG A 42 -4.145 -10.508 10.535 1.00 0.00 C ATOM 642 C ARG A 42 -5.156 -10.153 9.448 1.00 0.00 C ATOM 643 O ARG A 42 -5.888 -11.015 8.962 1.00 0.00 O ATOM 644 CB ARG A 42 -4.495 -9.774 11.831 1.00 0.00 C ATOM 645 CG ARG A 42 -5.718 -10.336 12.538 1.00 0.00 C ATOM 646 CD ARG A 42 -5.391 -11.624 13.277 1.00 0.00 C ATOM 647 NE ARG A 42 -4.820 -11.369 14.596 1.00 0.00 N ATOM 648 CZ ARG A 42 -4.767 -12.278 15.563 1.00 0.00 C ATOM 649 NH1 ARG A 42 -5.249 -13.496 15.359 1.00 0.00 N ATOM 650 NH2 ARG A 42 -4.231 -11.970 16.737 1.00 0.00 N ATOM 0 H ARG A 42 -2.276 -9.587 10.771 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.189 -11.583 10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.641 -9.821 12.507 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.667 -8.721 11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.103 -9.599 13.242 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.507 -10.523 11.809 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.297 -12.221 13.384 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.689 -12.213 12.686 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.441 -10.441 14.786 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.662 -13.737 14.458 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.207 -14.192 16.103 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.859 -11.034 16.898 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.191 -12.669 17.479 1.00 0.00 H new ATOM 664 N ALA A 43 -5.190 -8.879 9.073 1.00 0.00 N ATOM 665 CA ALA A 43 -6.109 -8.410 8.043 1.00 0.00 C ATOM 666 C ALA A 43 -6.129 -9.360 6.851 1.00 0.00 C ATOM 667 O ALA A 43 -7.187 -9.839 6.443 1.00 0.00 O ATOM 668 CB ALA A 43 -5.729 -7.006 7.596 1.00 0.00 C ATOM 0 H ALA A 43 -4.592 -8.153 9.467 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.112 -8.384 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.424 -6.669 6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.774 -6.328 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.717 -7.014 7.192 1.00 0.00 H new ATOM 674 N PHE A 44 -4.952 -9.629 6.295 1.00 0.00 N ATOM 675 CA PHE A 44 -4.834 -10.521 5.148 1.00 0.00 C ATOM 676 C PHE A 44 -5.706 -11.760 5.330 1.00 0.00 C ATOM 677 O PHE A 44 -6.176 -12.350 4.358 1.00 0.00 O ATOM 678 CB PHE A 44 -3.375 -10.936 4.944 1.00 0.00 C ATOM 679 CG PHE A 44 -3.172 -11.861 3.779 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.538 -11.475 2.499 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.615 -13.116 3.963 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.351 -12.324 1.424 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.426 -13.969 2.892 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.796 -13.573 1.621 1.00 0.00 C ATOM 0 H PHE A 44 -4.066 -9.242 6.621 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.178 -9.983 4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.769 -10.042 4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.014 -11.422 5.850 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.974 -10.500 2.340 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.325 -13.431 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.639 -12.011 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.989 -14.944 3.048 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.651 -14.239 0.783 1.00 0.00 H new ATOM 694 N TRP A 45 -5.916 -12.148 6.583 1.00 0.00 N ATOM 695 CA TRP A 45 -6.731 -13.317 6.894 1.00 0.00 C ATOM 696 C TRP A 45 -8.166 -12.912 7.210 1.00 0.00 C ATOM 697 O TRP A 45 -9.109 -13.401 6.589 1.00 0.00 O ATOM 698 CB TRP A 45 -6.132 -14.082 8.075 1.00 0.00 C ATOM 699 CG TRP A 45 -4.635 -14.149 8.042 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.842 -14.225 6.932 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.752 -14.146 9.169 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.519 -14.270 7.301 1.00 0.00 N ATOM 703 CE2 TRP A 45 -2.437 -14.222 8.668 1.00 0.00 C ATOM 704 CE3 TRP A 45 -3.943 -14.085 10.551 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -1.323 -14.240 9.503 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -2.836 -14.102 11.379 1.00 0.00 C ATOM 707 CH2 TRP A 45 -1.540 -14.179 10.852 1.00 0.00 C ATOM 0 H TRP A 45 -5.534 -11.671 7.399 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.741 -13.965 6.018 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.447 -13.606 9.004 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.534 -15.095 8.084 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.202 -14.247 5.914 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.727 -14.329 6.661 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.938 -14.026 10.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.323 -14.300 9.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.972 -14.055 12.449 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.695 -14.190 11.525 1.00 0.00 H new ATOM 718 N GLU A 46 -8.324 -12.016 8.180 1.00 0.00 N ATOM 719 CA GLU A 46 -9.646 -11.547 8.578 1.00 0.00 C ATOM 720 C GLU A 46 -10.325 -10.799 7.434 1.00 0.00 C ATOM 721 O GLU A 46 -11.497 -10.435 7.526 1.00 0.00 O ATOM 722 CB GLU A 46 -9.541 -10.638 9.805 1.00 0.00 C ATOM 723 CG GLU A 46 -8.993 -11.339 11.036 1.00 0.00 C ATOM 724 CD GLU A 46 -10.062 -12.096 11.801 1.00 0.00 C ATOM 725 OE1 GLU A 46 -10.729 -12.958 11.193 1.00 0.00 O ATOM 726 OE2 GLU A 46 -10.230 -11.825 13.009 1.00 0.00 O ATOM 0 H GLU A 46 -7.553 -11.601 8.704 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.252 -12.417 8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.900 -9.790 9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.528 -10.237 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.207 -12.032 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.533 -10.602 11.695 1.00 0.00 H new ATOM 733 N SER A 47 -9.579 -10.574 6.357 1.00 0.00 N ATOM 734 CA SER A 47 -10.107 -9.866 5.197 1.00 0.00 C ATOM 735 C SER A 47 -9.762 -10.605 3.907 1.00 0.00 C ATOM 736 O SER A 47 -8.711 -11.238 3.803 1.00 0.00 O ATOM 737 CB SER A 47 -9.552 -8.442 5.146 1.00 0.00 C ATOM 738 OG SER A 47 -10.032 -7.669 6.232 1.00 0.00 O ATOM 0 H SER A 47 -8.608 -10.872 6.264 1.00 0.00 H new ATOM 0 HA SER A 47 -11.192 -9.822 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.463 -8.472 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.837 -7.970 4.206 1.00 0.00 H new ATOM 0 HG SER A 47 -9.309 -7.104 6.576 1.00 0.00 H new ATOM 744 N SER A 48 -10.655 -10.518 2.926 1.00 0.00 N ATOM 745 CA SER A 48 -10.448 -11.181 1.643 1.00 0.00 C ATOM 746 C SER A 48 -9.070 -10.850 1.077 1.00 0.00 C ATOM 747 O SER A 48 -8.230 -11.734 0.904 1.00 0.00 O ATOM 748 CB SER A 48 -11.534 -10.764 0.649 1.00 0.00 C ATOM 749 OG SER A 48 -12.681 -11.587 0.772 1.00 0.00 O ATOM 0 H SER A 48 -11.528 -9.995 2.995 1.00 0.00 H new ATOM 0 HA SER A 48 -10.507 -12.257 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.809 -9.723 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.145 -10.827 -0.367 1.00 0.00 H new ATOM 0 HG SER A 48 -13.378 -11.105 1.265 1.00 0.00 H new ATOM 755 N ILE A 49 -8.846 -9.572 0.791 1.00 0.00 N ATOM 756 CA ILE A 49 -7.571 -9.125 0.246 1.00 0.00 C ATOM 757 C ILE A 49 -7.029 -7.930 1.024 1.00 0.00 C ATOM 758 O ILE A 49 -7.722 -7.358 1.866 1.00 0.00 O ATOM 759 CB ILE A 49 -7.698 -8.740 -1.240 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.609 -9.730 -1.969 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.325 -8.695 -1.895 1.00 0.00 C ATOM 762 CD1 ILE A 49 -9.044 -9.255 -3.338 1.00 0.00 C ATOM 0 H ILE A 49 -9.531 -8.828 0.928 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.878 -9.961 0.339 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.143 -7.747 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.089 -10.682 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.493 -9.914 -1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.431 -8.422 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.704 -7.956 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.854 -9.675 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.687 -10.006 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.593 -8.318 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.166 -9.098 -3.965 1.00 0.00 H new ATOM 774 N VAL A 50 -5.787 -7.556 0.735 1.00 0.00 N ATOM 775 CA VAL A 50 -5.152 -6.427 1.405 1.00 0.00 C ATOM 776 C VAL A 50 -4.429 -5.531 0.406 1.00 0.00 C ATOM 777 O VAL A 50 -3.351 -5.871 -0.083 1.00 0.00 O ATOM 778 CB VAL A 50 -4.149 -6.900 2.473 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.429 -5.712 3.093 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.856 -7.722 3.540 1.00 0.00 C ATOM 0 H VAL A 50 -5.200 -8.019 0.041 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.946 -5.859 1.890 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.404 -7.534 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.724 -6.066 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.889 -5.168 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.157 -5.049 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.132 -8.048 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.623 -7.114 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.320 -8.594 3.079 1.00 0.00 H new ATOM 790 N TYR A 51 -5.029 -4.384 0.106 1.00 0.00 N ATOM 791 CA TYR A 51 -4.444 -3.439 -0.837 1.00 0.00 C ATOM 792 C TYR A 51 -3.413 -2.550 -0.147 1.00 0.00 C ATOM 793 O TYR A 51 -3.690 -1.948 0.891 1.00 0.00 O ATOM 794 CB TYR A 51 -5.536 -2.576 -1.470 1.00 0.00 C ATOM 795 CG TYR A 51 -6.274 -3.263 -2.596 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.586 -3.833 -3.660 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.662 -3.345 -2.595 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.257 -4.462 -4.691 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.341 -3.973 -3.621 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.634 -4.529 -4.667 1.00 0.00 C ATOM 801 OH TYR A 51 -8.306 -5.156 -5.691 1.00 0.00 O ATOM 0 H TYR A 51 -5.920 -4.087 0.503 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.942 -4.008 -1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.252 -2.288 -0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.088 -1.657 -1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.507 -3.784 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.219 -2.910 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.706 -4.899 -5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.419 -4.028 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.270 -5.117 -5.522 1.00 0.00 H new ATOM 811 N LEU A 52 -2.223 -2.472 -0.733 1.00 0.00 N ATOM 812 CA LEU A 52 -1.149 -1.656 -0.177 1.00 0.00 C ATOM 813 C LEU A 52 -0.666 -0.626 -1.193 1.00 0.00 C ATOM 814 O LEU A 52 0.076 -0.952 -2.119 1.00 0.00 O ATOM 815 CB LEU A 52 0.018 -2.543 0.260 1.00 0.00 C ATOM 816 CG LEU A 52 -0.358 -3.841 0.976 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.794 -4.833 0.921 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.753 -3.560 2.418 1.00 0.00 C ATOM 0 H LEU A 52 -1.978 -2.964 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.541 -1.127 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.607 -2.795 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.663 -1.962 0.919 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.215 -4.280 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.509 -5.751 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.031 -5.058 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.669 -4.402 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.017 -4.495 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.084 -3.098 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.609 -2.886 2.436 1.00 0.00 H new ATOM 830 N VAL A 53 -1.091 0.621 -1.012 1.00 0.00 N ATOM 831 CA VAL A 53 -0.699 1.700 -1.910 1.00 0.00 C ATOM 832 C VAL A 53 0.688 2.228 -1.564 1.00 0.00 C ATOM 833 O VAL A 53 0.870 2.914 -0.558 1.00 0.00 O ATOM 834 CB VAL A 53 -1.707 2.865 -1.861 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.237 4.014 -2.740 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.089 2.391 -2.283 1.00 0.00 C ATOM 0 H VAL A 53 -1.707 0.908 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.684 1.283 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.770 3.226 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.961 4.828 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.269 4.369 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.144 3.670 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.788 3.226 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.046 2.003 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.425 1.603 -1.609 1.00 0.00 H new ATOM 846 N PHE A 54 1.665 1.903 -2.404 1.00 0.00 N ATOM 847 CA PHE A 54 3.038 2.344 -2.186 1.00 0.00 C ATOM 848 C PHE A 54 3.250 3.753 -2.733 1.00 0.00 C ATOM 849 O PHE A 54 2.724 4.107 -3.787 1.00 0.00 O ATOM 850 CB PHE A 54 4.019 1.375 -2.850 1.00 0.00 C ATOM 851 CG PHE A 54 3.937 -0.024 -2.310 1.00 0.00 C ATOM 852 CD1 PHE A 54 2.869 -0.846 -2.636 1.00 0.00 C ATOM 853 CD2 PHE A 54 4.927 -0.518 -1.476 1.00 0.00 C ATOM 854 CE1 PHE A 54 2.791 -2.134 -2.141 1.00 0.00 C ATOM 855 CE2 PHE A 54 4.854 -1.806 -0.978 1.00 0.00 C ATOM 856 CZ PHE A 54 3.784 -2.614 -1.310 1.00 0.00 C ATOM 0 H PHE A 54 1.532 1.336 -3.241 1.00 0.00 H new ATOM 0 HA PHE A 54 3.222 2.358 -1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.827 1.354 -3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.034 1.749 -2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.089 -0.475 -3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.765 0.110 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.954 -2.764 -2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.633 -2.180 -0.330 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.724 -3.619 -0.920 1.00 0.00 H new ATOM 866 N SER A 55 4.025 4.552 -2.006 1.00 0.00 N ATOM 867 CA SER A 55 4.303 5.924 -2.415 1.00 0.00 C ATOM 868 C SER A 55 5.634 6.402 -1.841 1.00 0.00 C ATOM 869 O SER A 55 5.794 6.516 -0.626 1.00 0.00 O ATOM 870 CB SER A 55 3.176 6.853 -1.960 1.00 0.00 C ATOM 871 OG SER A 55 2.757 6.540 -0.643 1.00 0.00 O ATOM 0 H SER A 55 4.471 4.273 -1.132 1.00 0.00 H new ATOM 0 HA SER A 55 4.366 5.947 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.515 7.888 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.331 6.767 -2.644 1.00 0.00 H new ATOM 0 HG SER A 55 2.037 7.149 -0.375 1.00 0.00 H new ATOM 877 N VAL A 56 6.586 6.681 -2.726 1.00 0.00 N ATOM 878 CA VAL A 56 7.903 7.148 -2.309 1.00 0.00 C ATOM 879 C VAL A 56 7.825 8.545 -1.703 1.00 0.00 C ATOM 880 O VAL A 56 6.983 9.354 -2.092 1.00 0.00 O ATOM 881 CB VAL A 56 8.891 7.168 -3.491 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.190 7.849 -3.089 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.152 5.755 -3.991 1.00 0.00 C ATOM 0 H VAL A 56 6.470 6.592 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 56 8.263 6.448 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 56 8.446 7.740 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.876 7.854 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.984 8.875 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.643 7.307 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.852 5.788 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.577 5.156 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.215 5.307 -4.321 1.00 0.00 H new ATOM 893 N GLN A 57 8.708 8.820 -0.749 1.00 0.00 N ATOM 894 CA GLN A 57 8.738 10.120 -0.089 1.00 0.00 C ATOM 895 C GLN A 57 8.887 11.245 -1.108 1.00 0.00 C ATOM 896 O GLN A 57 9.798 11.231 -1.934 1.00 0.00 O ATOM 897 CB GLN A 57 9.886 10.176 0.921 1.00 0.00 C ATOM 898 CG GLN A 57 11.207 10.620 0.316 1.00 0.00 C ATOM 899 CD GLN A 57 12.321 10.701 1.342 1.00 0.00 C ATOM 900 OE1 GLN A 57 12.448 9.664 2.161 1.00 0.00 O flip ATOM 901 NE2 GLN A 57 13.058 11.686 1.398 1.00 0.00 N flip ATOM 0 H GLN A 57 9.412 8.161 -0.416 1.00 0.00 H new ATOM 0 HA GLN A 57 7.793 10.254 0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.617 10.859 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.014 9.190 1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.494 9.923 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.078 11.596 -0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.924 12.461 0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.802 11.727 2.094 1.00 0.00 H new ATOM 910 N GLY A 58 7.984 12.219 -1.043 1.00 0.00 N ATOM 911 CA GLY A 58 8.032 13.338 -1.966 1.00 0.00 C ATOM 912 C GLY A 58 8.500 12.929 -3.348 1.00 0.00 C ATOM 913 O GLY A 58 9.642 13.190 -3.726 1.00 0.00 O ATOM 0 H GLY A 58 7.220 12.253 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.042 13.787 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.701 14.103 -1.571 1.00 0.00 H new ATOM 917 N SER A 59 7.617 12.285 -4.104 1.00 0.00 N ATOM 918 CA SER A 59 7.949 11.834 -5.451 1.00 0.00 C ATOM 919 C SER A 59 7.113 12.572 -6.492 1.00 0.00 C ATOM 920 O SER A 59 7.587 12.873 -7.586 1.00 0.00 O ATOM 921 CB SER A 59 7.725 10.326 -5.576 1.00 0.00 C ATOM 922 OG SER A 59 8.122 9.856 -6.853 1.00 0.00 O ATOM 0 H SER A 59 6.667 12.064 -3.807 1.00 0.00 H new ATOM 0 HA SER A 59 9.001 12.054 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.289 9.806 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.672 10.097 -5.412 1.00 0.00 H new ATOM 0 HG SER A 59 8.575 8.992 -6.757 1.00 0.00 H new ATOM 928 N GLY A 60 5.863 12.862 -6.141 1.00 0.00 N ATOM 929 CA GLY A 60 4.980 13.563 -7.055 1.00 0.00 C ATOM 930 C GLY A 60 3.774 12.732 -7.447 1.00 0.00 C ATOM 931 O GLY A 60 2.645 13.223 -7.444 1.00 0.00 O ATOM 0 H GLY A 60 5.447 12.624 -5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.643 14.490 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.535 13.839 -7.952 1.00 0.00 H new ATOM 935 N HIS A 61 4.013 11.469 -7.787 1.00 0.00 N ATOM 936 CA HIS A 61 2.936 10.568 -8.185 1.00 0.00 C ATOM 937 C HIS A 61 2.938 9.308 -7.325 1.00 0.00 C ATOM 938 O HIS A 61 3.902 9.032 -6.610 1.00 0.00 O ATOM 939 CB HIS A 61 3.076 10.193 -9.660 1.00 0.00 C ATOM 940 CG HIS A 61 3.186 11.377 -10.571 1.00 0.00 C ATOM 941 ND1 HIS A 61 4.154 12.349 -10.429 1.00 0.00 N ATOM 942 CD2 HIS A 61 2.443 11.742 -11.642 1.00 0.00 C ATOM 943 CE1 HIS A 61 4.001 13.261 -11.372 1.00 0.00 C ATOM 944 NE2 HIS A 61 2.970 12.916 -12.122 1.00 0.00 N ATOM 0 H HIS A 61 4.941 11.047 -7.795 1.00 0.00 H new ATOM 0 HA HIS A 61 1.988 11.086 -8.038 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.959 9.566 -9.785 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.215 9.595 -9.958 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.594 11.209 -12.044 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.615 14.139 -11.507 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.622 13.437 -12.927 1.00 0.00 H new ATOM 952 N PHE A 62 1.851 8.546 -7.399 1.00 0.00 N ATOM 953 CA PHE A 62 1.726 7.316 -6.626 1.00 0.00 C ATOM 954 C PHE A 62 2.426 6.157 -7.331 1.00 0.00 C ATOM 955 O PHE A 62 1.964 5.679 -8.367 1.00 0.00 O ATOM 956 CB PHE A 62 0.251 6.976 -6.402 1.00 0.00 C ATOM 957 CG PHE A 62 -0.356 7.687 -5.227 1.00 0.00 C ATOM 958 CD1 PHE A 62 -0.069 7.285 -3.933 1.00 0.00 C ATOM 959 CD2 PHE A 62 -1.214 8.759 -5.417 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.626 7.937 -2.849 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.774 9.415 -4.337 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.481 9.003 -3.052 1.00 0.00 C ATOM 0 H PHE A 62 1.045 8.759 -7.986 1.00 0.00 H new ATOM 0 HA PHE A 62 2.205 7.474 -5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.312 7.229 -7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.152 5.900 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.598 6.452 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.447 9.085 -6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.393 7.614 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.440 10.249 -4.498 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.919 9.513 -2.207 1.00 0.00 H new ATOM 972 N GLN A 63 3.541 5.713 -6.763 1.00 0.00 N ATOM 973 CA GLN A 63 4.305 4.611 -7.338 1.00 0.00 C ATOM 974 C GLN A 63 3.391 3.446 -7.700 1.00 0.00 C ATOM 975 O GLN A 63 3.732 2.613 -8.539 1.00 0.00 O ATOM 976 CB GLN A 63 5.383 4.144 -6.358 1.00 0.00 C ATOM 977 CG GLN A 63 6.733 4.807 -6.577 1.00 0.00 C ATOM 978 CD GLN A 63 6.612 6.189 -7.188 1.00 0.00 C ATOM 979 OE1 GLN A 63 6.506 6.334 -8.407 1.00 0.00 O ATOM 980 NE2 GLN A 63 6.628 7.214 -6.344 1.00 0.00 N ATOM 0 H GLN A 63 3.936 6.098 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 63 4.783 4.970 -8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.049 4.346 -5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.499 3.064 -6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.257 4.880 -5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.341 4.178 -7.227 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.718 7.048 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.551 8.167 -6.698 1.00 0.00 H new ATOM 989 N GLY A 64 2.226 3.393 -7.061 1.00 0.00 N ATOM 990 CA GLY A 64 1.280 2.325 -7.330 1.00 0.00 C ATOM 991 C GLY A 64 0.861 1.591 -6.071 1.00 0.00 C ATOM 992 O GLY A 64 1.119 2.054 -4.959 1.00 0.00 O ATOM 0 H GLY A 64 1.920 4.070 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.397 2.740 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.725 1.617 -8.029 1.00 0.00 H new ATOM 996 N PHE A 65 0.212 0.445 -6.245 1.00 0.00 N ATOM 997 CA PHE A 65 -0.246 -0.353 -5.113 1.00 0.00 C ATOM 998 C PHE A 65 -0.135 -1.844 -5.419 1.00 0.00 C ATOM 999 O PHE A 65 0.120 -2.238 -6.557 1.00 0.00 O ATOM 1000 CB PHE A 65 -1.693 0.001 -4.765 1.00 0.00 C ATOM 1001 CG PHE A 65 -2.695 -0.537 -5.745 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -2.934 0.118 -6.942 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.398 -1.699 -5.470 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -3.856 -0.376 -7.846 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.321 -2.197 -6.369 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.550 -1.535 -7.560 1.00 0.00 C ATOM 0 H PHE A 65 -0.009 0.048 -7.158 1.00 0.00 H new ATOM 0 HA PHE A 65 0.392 -0.127 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.924 -0.385 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.791 1.085 -4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.394 1.025 -7.172 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.222 -2.222 -4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.033 0.144 -8.776 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.863 -3.103 -6.141 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.270 -1.923 -8.265 1.00 0.00 H new ATOM 1016 N SER A 66 -0.329 -2.668 -4.394 1.00 0.00 N ATOM 1017 CA SER A 66 -0.247 -4.116 -4.551 1.00 0.00 C ATOM 1018 C SER A 66 -1.114 -4.824 -3.515 1.00 0.00 C ATOM 1019 O SER A 66 -1.266 -4.351 -2.389 1.00 0.00 O ATOM 1020 CB SER A 66 1.205 -4.582 -4.423 1.00 0.00 C ATOM 1021 OG SER A 66 1.532 -4.867 -3.074 1.00 0.00 O ATOM 0 H SER A 66 -0.544 -2.358 -3.446 1.00 0.00 H new ATOM 0 HA SER A 66 -0.617 -4.371 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.360 -5.471 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.873 -3.811 -4.807 1.00 0.00 H new ATOM 0 HG SER A 66 2.438 -4.547 -2.883 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.680 -5.962 -3.905 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.533 -6.736 -3.012 1.00 0.00 C ATOM 1029 C ARG A 67 -1.765 -7.907 -2.406 1.00 0.00 C ATOM 1030 O ARG A 67 -1.359 -8.828 -3.114 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.760 -7.252 -3.764 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.419 -8.123 -4.963 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.662 -8.489 -5.758 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.389 -9.516 -6.759 1.00 0.00 N ATOM 1035 CZ ARG A 67 -5.251 -9.867 -7.707 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -6.435 -9.275 -7.782 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.929 -10.811 -8.582 1.00 0.00 N ATOM 0 H ARG A 67 -1.563 -6.368 -4.833 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.860 -6.081 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.383 -7.823 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.353 -6.402 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.715 -7.597 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.922 -9.032 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.436 -8.843 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.053 -7.598 -6.250 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.486 -9.990 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.685 -8.549 -7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.095 -9.546 -8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.019 -11.268 -8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.592 -11.080 -9.309 1.00 0.00 H new ATOM 1051 N MET A 68 -1.569 -7.863 -1.092 1.00 0.00 N ATOM 1052 CA MET A 68 -0.849 -8.921 -0.392 1.00 0.00 C ATOM 1053 C MET A 68 -1.266 -10.295 -0.907 1.00 0.00 C ATOM 1054 O MET A 68 -2.454 -10.613 -0.965 1.00 0.00 O ATOM 1055 CB MET A 68 -1.105 -8.830 1.114 1.00 0.00 C ATOM 1056 CG MET A 68 0.060 -9.322 1.959 1.00 0.00 C ATOM 1057 SD MET A 68 0.169 -8.479 3.549 1.00 0.00 S ATOM 1058 CE MET A 68 0.469 -9.863 4.645 1.00 0.00 C ATOM 0 H MET A 68 -1.898 -7.107 -0.491 1.00 0.00 H new ATOM 0 HA MET A 68 0.216 -8.789 -0.582 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.321 -7.794 1.376 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.993 -9.413 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.045 -10.394 2.127 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.990 -9.175 1.410 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.631 -9.496 5.659 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.393 -10.530 4.634 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.352 -10.407 4.311 1.00 0.00 H new ATOM 1068 N SER A 69 -0.281 -11.105 -1.281 1.00 0.00 N ATOM 1069 CA SER A 69 -0.546 -12.444 -1.796 1.00 0.00 C ATOM 1070 C SER A 69 -0.154 -13.506 -0.774 1.00 0.00 C ATOM 1071 O SER A 69 -0.750 -14.582 -0.720 1.00 0.00 O ATOM 1072 CB SER A 69 0.217 -12.671 -3.103 1.00 0.00 C ATOM 1073 OG SER A 69 0.126 -14.022 -3.519 1.00 0.00 O ATOM 0 H SER A 69 0.708 -10.858 -1.237 1.00 0.00 H new ATOM 0 HA SER A 69 -1.616 -12.527 -1.989 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.185 -12.020 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.264 -12.398 -2.969 1.00 0.00 H new ATOM 0 HG SER A 69 0.620 -14.140 -4.357 1.00 0.00 H new ATOM 1079 N SER A 70 0.854 -13.197 0.036 1.00 0.00 N ATOM 1080 CA SER A 70 1.329 -14.125 1.054 1.00 0.00 C ATOM 1081 C SER A 70 1.413 -13.442 2.416 1.00 0.00 C ATOM 1082 O SER A 70 1.471 -12.216 2.503 1.00 0.00 O ATOM 1083 CB SER A 70 2.699 -14.684 0.666 1.00 0.00 C ATOM 1084 OG SER A 70 3.101 -15.713 1.554 1.00 0.00 O ATOM 0 H SER A 70 1.357 -12.310 0.006 1.00 0.00 H new ATOM 0 HA SER A 70 0.616 -14.946 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.662 -15.072 -0.352 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.438 -13.883 0.675 1.00 0.00 H new ATOM 0 HG SER A 70 4.029 -15.563 1.829 1.00 0.00 H new ATOM 1090 N GLU A 71 1.420 -14.245 3.475 1.00 0.00 N ATOM 1091 CA GLU A 71 1.497 -13.718 4.832 1.00 0.00 C ATOM 1092 C GLU A 71 2.943 -13.425 5.221 1.00 0.00 C ATOM 1093 O GLU A 71 3.877 -13.977 4.640 1.00 0.00 O ATOM 1094 CB GLU A 71 0.881 -14.708 5.823 1.00 0.00 C ATOM 1095 CG GLU A 71 1.623 -16.032 5.901 1.00 0.00 C ATOM 1096 CD GLU A 71 1.204 -16.866 7.096 1.00 0.00 C ATOM 1097 OE1 GLU A 71 1.757 -16.649 8.195 1.00 0.00 O ATOM 1098 OE2 GLU A 71 0.323 -17.736 6.932 1.00 0.00 O ATOM 0 H GLU A 71 1.373 -15.262 3.419 1.00 0.00 H new ATOM 0 HA GLU A 71 0.934 -12.785 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.861 -14.253 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.154 -14.897 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.445 -16.598 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.695 -15.841 5.954 1.00 0.00 H new ATOM 1105 N ILE A 72 3.118 -12.552 6.207 1.00 0.00 N ATOM 1106 CA ILE A 72 4.449 -12.185 6.675 1.00 0.00 C ATOM 1107 C ILE A 72 5.020 -13.254 7.601 1.00 0.00 C ATOM 1108 O ILE A 72 4.310 -13.808 8.439 1.00 0.00 O ATOM 1109 CB ILE A 72 4.434 -10.835 7.415 1.00 0.00 C ATOM 1110 CG1 ILE A 72 3.558 -9.828 6.667 1.00 0.00 C ATOM 1111 CG2 ILE A 72 5.850 -10.300 7.570 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.431 -8.496 7.372 1.00 0.00 C ATOM 0 H ILE A 72 2.355 -12.086 6.697 1.00 0.00 H new ATOM 0 HA ILE A 72 5.081 -12.098 5.791 1.00 0.00 H new ATOM 0 HB ILE A 72 4.013 -10.987 8.409 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.974 -9.665 5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.564 -10.254 6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.823 -9.345 8.095 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.447 -11.011 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.296 -10.160 6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.796 -7.833 6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.987 -8.646 8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.418 -8.048 7.484 1.00 0.00 H new ATOM 1124 N GLY A 73 6.310 -13.537 7.445 1.00 0.00 N ATOM 1125 CA GLY A 73 6.956 -14.537 8.275 1.00 0.00 C ATOM 1126 C GLY A 73 7.996 -15.337 7.516 1.00 0.00 C ATOM 1127 O GLY A 73 9.105 -14.857 7.278 1.00 0.00 O ATOM 0 H GLY A 73 6.919 -13.092 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.429 -14.048 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.202 -15.215 8.675 1.00 0.00 H new ATOM 1131 N ARG A 74 7.640 -16.560 7.138 1.00 0.00 N ATOM 1132 CA ARG A 74 8.552 -17.429 6.405 1.00 0.00 C ATOM 1133 C ARG A 74 9.286 -16.652 5.315 1.00 0.00 C ATOM 1134 O ARG A 74 10.507 -16.741 5.191 1.00 0.00 O ATOM 1135 CB ARG A 74 7.788 -18.599 5.784 1.00 0.00 C ATOM 1136 CG ARG A 74 8.658 -19.516 4.939 1.00 0.00 C ATOM 1137 CD ARG A 74 9.728 -20.197 5.778 1.00 0.00 C ATOM 1138 NE ARG A 74 10.466 -21.200 5.015 1.00 0.00 N ATOM 1139 CZ ARG A 74 9.972 -22.391 4.696 1.00 0.00 C ATOM 1140 NH1 ARG A 74 8.746 -22.726 5.073 1.00 0.00 N ATOM 1141 NH2 ARG A 74 10.705 -23.249 3.999 1.00 0.00 N ATOM 0 H ARG A 74 6.726 -16.972 7.327 1.00 0.00 H new ATOM 0 HA ARG A 74 9.288 -17.817 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.325 -19.183 6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.980 -18.207 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.035 -20.271 4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.130 -18.940 4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.422 -19.447 6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.264 -20.669 6.644 1.00 0.00 H new ATOM 0 HE ARG A 74 11.413 -20.974 4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.180 -22.069 5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.369 -23.641 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.649 -22.994 3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.325 -24.163 3.754 1.00 0.00 H new ATOM 1155 N GLU A 75 8.531 -15.890 4.529 1.00 0.00 N ATOM 1156 CA GLU A 75 9.110 -15.099 3.449 1.00 0.00 C ATOM 1157 C GLU A 75 10.221 -14.193 3.974 1.00 0.00 C ATOM 1158 O GLU A 75 10.014 -13.412 4.903 1.00 0.00 O ATOM 1159 CB GLU A 75 8.030 -14.257 2.768 1.00 0.00 C ATOM 1160 CG GLU A 75 7.334 -14.971 1.621 1.00 0.00 C ATOM 1161 CD GLU A 75 6.751 -16.308 2.034 1.00 0.00 C ATOM 1162 OE1 GLU A 75 7.533 -17.264 2.225 1.00 0.00 O ATOM 1163 OE2 GLU A 75 5.513 -16.399 2.167 1.00 0.00 O ATOM 0 H GLU A 75 7.519 -15.804 4.620 1.00 0.00 H new ATOM 0 HA GLU A 75 9.539 -15.786 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.286 -13.967 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.480 -13.338 2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.538 -14.336 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.045 -15.124 0.809 1.00 0.00 H new ATOM 1170 N LYS A 76 11.400 -14.304 3.372 1.00 0.00 N ATOM 1171 CA LYS A 76 12.545 -13.496 3.776 1.00 0.00 C ATOM 1172 C LYS A 76 13.351 -13.048 2.561 1.00 0.00 C ATOM 1173 O LYS A 76 13.068 -13.452 1.433 1.00 0.00 O ATOM 1174 CB LYS A 76 13.441 -14.286 4.733 1.00 0.00 C ATOM 1175 CG LYS A 76 12.939 -14.297 6.167 1.00 0.00 C ATOM 1176 CD LYS A 76 12.802 -12.889 6.720 1.00 0.00 C ATOM 1177 CE LYS A 76 12.754 -12.890 8.241 1.00 0.00 C ATOM 1178 NZ LYS A 76 11.657 -13.754 8.760 1.00 0.00 N ATOM 0 H LYS A 76 11.588 -14.946 2.602 1.00 0.00 H new ATOM 0 HA LYS A 76 12.170 -12.610 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.522 -15.313 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.445 -13.861 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.974 -14.802 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.627 -14.868 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.641 -12.281 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.896 -12.429 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.709 -13.239 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.615 -11.871 8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.171 -13.267 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.978 -13.949 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.055 -14.650 9.106 1.00 0.00 H new ATOM 1192 N SER A 77 14.357 -12.213 2.799 1.00 0.00 N ATOM 1193 CA SER A 77 15.203 -11.709 1.723 1.00 0.00 C ATOM 1194 C SER A 77 16.383 -10.921 2.284 1.00 0.00 C ATOM 1195 O SER A 77 16.442 -10.640 3.481 1.00 0.00 O ATOM 1196 CB SER A 77 14.388 -10.825 0.777 1.00 0.00 C ATOM 1197 OG SER A 77 14.977 -10.778 -0.511 1.00 0.00 O ATOM 0 H SER A 77 14.606 -11.871 3.727 1.00 0.00 H new ATOM 0 HA SER A 77 15.590 -12.563 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.371 -11.209 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.319 -9.817 1.186 1.00 0.00 H new ATOM 0 HG SER A 77 14.437 -10.208 -1.097 1.00 0.00 H new ATOM 1203 N GLN A 78 17.319 -10.568 1.410 1.00 0.00 N ATOM 1204 CA GLN A 78 18.498 -9.812 1.817 1.00 0.00 C ATOM 1205 C GLN A 78 18.508 -8.430 1.174 1.00 0.00 C ATOM 1206 O GLN A 78 18.490 -7.412 1.866 1.00 0.00 O ATOM 1207 CB GLN A 78 19.771 -10.572 1.441 1.00 0.00 C ATOM 1208 CG GLN A 78 21.034 -9.980 2.046 1.00 0.00 C ATOM 1209 CD GLN A 78 22.289 -10.705 1.601 1.00 0.00 C ATOM 1210 OE1 GLN A 78 22.631 -10.710 0.418 1.00 0.00 O ATOM 1211 NE2 GLN A 78 22.984 -11.322 2.550 1.00 0.00 N ATOM 0 H GLN A 78 17.284 -10.793 0.416 1.00 0.00 H new ATOM 0 HA GLN A 78 18.463 -9.688 2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.674 -11.608 1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 78 19.869 -10.585 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 78 21.108 -8.929 1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 78 20.964 -10.017 3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 78 22.664 -11.292 3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 78 23.838 -11.826 2.311 1.00 0.00 H new ATOM 1220 N ASP A 79 18.537 -8.401 -0.154 1.00 0.00 N ATOM 1221 CA ASP A 79 18.548 -7.142 -0.891 1.00 0.00 C ATOM 1222 C ASP A 79 17.563 -6.148 -0.284 1.00 0.00 C ATOM 1223 O ASP A 79 16.353 -6.373 -0.295 1.00 0.00 O ATOM 1224 CB ASP A 79 18.206 -7.385 -2.362 1.00 0.00 C ATOM 1225 CG ASP A 79 19.150 -8.372 -3.021 1.00 0.00 C ATOM 1226 OD1 ASP A 79 19.164 -9.549 -2.602 1.00 0.00 O ATOM 1227 OD2 ASP A 79 19.873 -7.968 -3.955 1.00 0.00 O ATOM 0 H ASP A 79 18.553 -9.234 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 79 19.550 -6.719 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.185 -7.758 -2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.241 -6.438 -2.901 1.00 0.00 H new ATOM 1232 N TRP A 80 18.090 -5.049 0.244 1.00 0.00 N ATOM 1233 CA TRP A 80 17.256 -4.021 0.857 1.00 0.00 C ATOM 1234 C TRP A 80 18.061 -2.752 1.117 1.00 0.00 C ATOM 1235 O TRP A 80 19.281 -2.799 1.267 1.00 0.00 O ATOM 1236 CB TRP A 80 16.655 -4.536 2.165 1.00 0.00 C ATOM 1237 CG TRP A 80 15.438 -5.387 1.965 1.00 0.00 C ATOM 1238 CD1 TRP A 80 15.215 -6.632 2.480 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.278 -5.056 1.193 1.00 0.00 C ATOM 1240 NE1 TRP A 80 13.986 -7.095 2.075 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.391 -6.147 1.285 1.00 0.00 C ATOM 1242 CE3 TRP A 80 13.901 -3.945 0.435 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.154 -6.157 0.647 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.673 -3.956 -0.198 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.811 -5.055 -0.089 1.00 0.00 C ATOM 0 H TRP A 80 19.090 -4.847 0.260 1.00 0.00 H new ATOM 0 HA TRP A 80 16.449 -3.782 0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.409 -5.113 2.701 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.396 -3.686 2.797 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.903 -7.173 3.112 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.582 -7.998 2.323 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.558 -3.092 0.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.489 -7.004 0.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.372 -3.102 -0.787 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.857 -5.032 -0.595 1.00 0.00 H new ATOM 1256 N GLY A 81 17.369 -1.618 1.169 1.00 0.00 N ATOM 1257 CA GLY A 81 18.036 -0.352 1.411 1.00 0.00 C ATOM 1258 C GLY A 81 18.138 -0.024 2.888 1.00 0.00 C ATOM 1259 O GLY A 81 19.126 0.559 3.334 1.00 0.00 O ATOM 0 H GLY A 81 16.358 -1.553 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.036 -0.383 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.493 0.444 0.902 1.00 0.00 H new ATOM 1263 N SER A 82 17.113 -0.397 3.647 1.00 0.00 N ATOM 1264 CA SER A 82 17.089 -0.134 5.081 1.00 0.00 C ATOM 1265 C SER A 82 17.120 -1.437 5.874 1.00 0.00 C ATOM 1266 O SER A 82 16.170 -2.219 5.841 1.00 0.00 O ATOM 1267 CB SER A 82 15.843 0.673 5.452 1.00 0.00 C ATOM 1268 OG SER A 82 15.917 1.991 4.938 1.00 0.00 O ATOM 0 H SER A 82 16.288 -0.882 3.293 1.00 0.00 H new ATOM 0 HA SER A 82 17.977 0.445 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.955 0.176 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.738 0.708 6.536 1.00 0.00 H new ATOM 0 HG SER A 82 15.108 2.485 5.187 1.00 0.00 H new ATOM 1274 N ALA A 83 18.219 -1.664 6.585 1.00 0.00 N ATOM 1275 CA ALA A 83 18.374 -2.871 7.387 1.00 0.00 C ATOM 1276 C ALA A 83 17.271 -2.980 8.434 1.00 0.00 C ATOM 1277 O ALA A 83 16.856 -4.078 8.802 1.00 0.00 O ATOM 1278 CB ALA A 83 19.741 -2.889 8.054 1.00 0.00 C ATOM 0 H ALA A 83 19.015 -1.028 6.622 1.00 0.00 H new ATOM 0 HA ALA A 83 18.294 -3.732 6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.843 -3.796 8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.519 -2.867 7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 83 19.842 -2.017 8.700 1.00 0.00 H new ATOM 1284 N GLY A 84 16.800 -1.832 8.913 1.00 0.00 N ATOM 1285 CA GLY A 84 15.750 -1.820 9.914 1.00 0.00 C ATOM 1286 C GLY A 84 14.489 -2.515 9.440 1.00 0.00 C ATOM 1287 O GLY A 84 13.542 -1.865 8.994 1.00 0.00 O ATOM 0 H GLY A 84 17.128 -0.910 8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.111 -2.307 10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.516 -0.789 10.178 1.00 0.00 H new ATOM 1291 N LEU A 85 14.475 -3.840 9.533 1.00 0.00 N ATOM 1292 CA LEU A 85 13.321 -4.625 9.108 1.00 0.00 C ATOM 1293 C LEU A 85 13.148 -5.859 9.987 1.00 0.00 C ATOM 1294 O LEU A 85 13.930 -6.093 10.908 1.00 0.00 O ATOM 1295 CB LEU A 85 13.475 -5.045 7.645 1.00 0.00 C ATOM 1296 CG LEU A 85 13.699 -3.912 6.642 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.306 -4.451 5.356 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.392 -3.188 6.355 1.00 0.00 C ATOM 0 H LEU A 85 15.250 -4.394 9.899 1.00 0.00 H new ATOM 0 HA LEU A 85 12.432 -4.002 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.313 -5.738 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.581 -5.594 7.349 1.00 0.00 H new ATOM 0 HG LEU A 85 14.398 -3.198 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.458 -3.631 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.263 -4.923 5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.632 -5.185 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.570 -2.385 5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.670 -3.891 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.998 -2.768 7.280 1.00 0.00 H new ATOM 1310 N GLY A 86 12.118 -6.648 9.696 1.00 0.00 N ATOM 1311 CA GLY A 86 11.863 -7.850 10.468 1.00 0.00 C ATOM 1312 C GLY A 86 10.576 -8.539 10.059 1.00 0.00 C ATOM 1313 O GLY A 86 9.557 -8.421 10.739 1.00 0.00 O ATOM 0 H GLY A 86 11.456 -6.476 8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.697 -8.541 10.345 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.815 -7.595 11.527 1.00 0.00 H new ATOM 1317 N GLY A 87 10.621 -9.260 8.943 1.00 0.00 N ATOM 1318 CA GLY A 87 9.443 -9.958 8.463 1.00 0.00 C ATOM 1319 C GLY A 87 9.039 -9.523 7.068 1.00 0.00 C ATOM 1320 O GLY A 87 8.286 -8.563 6.903 1.00 0.00 O ATOM 0 H GLY A 87 11.452 -9.373 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.635 -11.031 8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.615 -9.781 9.149 1.00 0.00 H new ATOM 1324 N VAL A 88 9.542 -10.229 6.060 1.00 0.00 N ATOM 1325 CA VAL A 88 9.230 -9.910 4.672 1.00 0.00 C ATOM 1326 C VAL A 88 8.021 -10.701 4.185 1.00 0.00 C ATOM 1327 O VAL A 88 7.673 -11.737 4.753 1.00 0.00 O ATOM 1328 CB VAL A 88 10.426 -10.201 3.747 1.00 0.00 C ATOM 1329 CG1 VAL A 88 10.090 -9.836 2.309 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.661 -9.450 4.222 1.00 0.00 C ATOM 0 H VAL A 88 10.167 -11.026 6.179 1.00 0.00 H new ATOM 0 HA VAL A 88 9.003 -8.845 4.635 1.00 0.00 H new ATOM 0 HB VAL A 88 10.641 -11.269 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.947 -10.048 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.234 -10.423 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.848 -8.775 2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.497 -9.667 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.460 -8.379 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.912 -9.766 5.235 1.00 0.00 H new ATOM 1340 N PHE A 89 7.384 -10.207 3.129 1.00 0.00 N ATOM 1341 CA PHE A 89 6.212 -10.867 2.564 1.00 0.00 C ATOM 1342 C PHE A 89 6.076 -10.554 1.077 1.00 0.00 C ATOM 1343 O PHE A 89 6.585 -9.543 0.594 1.00 0.00 O ATOM 1344 CB PHE A 89 4.948 -10.431 3.307 1.00 0.00 C ATOM 1345 CG PHE A 89 4.660 -8.962 3.190 1.00 0.00 C ATOM 1346 CD1 PHE A 89 5.372 -8.041 3.942 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.678 -8.501 2.328 1.00 0.00 C ATOM 1348 CE1 PHE A 89 5.109 -6.689 3.837 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.411 -7.149 2.218 1.00 0.00 C ATOM 1350 CZ PHE A 89 4.128 -6.242 2.973 1.00 0.00 C ATOM 0 H PHE A 89 7.659 -9.352 2.647 1.00 0.00 H new ATOM 0 HA PHE A 89 6.340 -11.943 2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.097 -10.992 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 89 5.048 -10.691 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.141 -8.384 4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.115 -9.206 1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.670 -5.982 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.643 -6.803 1.543 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.922 -5.185 2.888 1.00 0.00 H new ATOM 1360 N LYS A 90 5.384 -11.430 0.356 1.00 0.00 N ATOM 1361 CA LYS A 90 5.179 -11.249 -1.076 1.00 0.00 C ATOM 1362 C LYS A 90 4.081 -10.225 -1.343 1.00 0.00 C ATOM 1363 O LYS A 90 3.312 -9.876 -0.447 1.00 0.00 O ATOM 1364 CB LYS A 90 4.817 -12.584 -1.733 1.00 0.00 C ATOM 1365 CG LYS A 90 6.021 -13.363 -2.231 1.00 0.00 C ATOM 1366 CD LYS A 90 5.648 -14.789 -2.602 1.00 0.00 C ATOM 1367 CE LYS A 90 5.792 -15.729 -1.416 1.00 0.00 C ATOM 1368 NZ LYS A 90 5.231 -17.078 -1.706 1.00 0.00 N ATOM 0 H LYS A 90 4.956 -12.272 0.740 1.00 0.00 H new ATOM 0 HA LYS A 90 6.109 -10.879 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.270 -13.196 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.144 -12.397 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.447 -12.860 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.791 -13.376 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.621 -14.815 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.284 -15.132 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.846 -15.823 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.284 -15.303 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.348 -17.689 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.220 -16.992 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.733 -17.496 -2.515 1.00 0.00 H new ATOM 1382 N VAL A 91 4.011 -9.747 -2.582 1.00 0.00 N ATOM 1383 CA VAL A 91 3.006 -8.765 -2.967 1.00 0.00 C ATOM 1384 C VAL A 91 2.644 -8.898 -4.442 1.00 0.00 C ATOM 1385 O VAL A 91 3.507 -9.150 -5.283 1.00 0.00 O ATOM 1386 CB VAL A 91 3.492 -7.328 -2.698 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.325 -6.975 -1.228 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.941 -7.166 -3.132 1.00 0.00 C ATOM 0 H VAL A 91 4.639 -10.025 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 91 2.123 -8.962 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 91 2.882 -6.641 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.673 -5.957 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.273 -7.050 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.909 -7.665 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.268 -6.145 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.568 -7.862 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.027 -7.375 -4.198 1.00 0.00 H new ATOM 1398 N GLU A 92 1.362 -8.727 -4.750 1.00 0.00 N ATOM 1399 CA GLU A 92 0.886 -8.829 -6.124 1.00 0.00 C ATOM 1400 C GLU A 92 0.740 -7.447 -6.753 1.00 0.00 C ATOM 1401 O GLU A 92 -0.182 -6.699 -6.427 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.454 -9.566 -6.170 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.798 -10.120 -7.543 1.00 0.00 C ATOM 1404 CD GLU A 92 -0.202 -9.297 -8.669 1.00 0.00 C ATOM 1405 OE1 GLU A 92 -0.848 -8.317 -9.095 1.00 0.00 O ATOM 1406 OE2 GLU A 92 0.911 -9.635 -9.124 1.00 0.00 O ATOM 0 H GLU A 92 0.635 -8.517 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 92 1.623 -9.394 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.433 -10.386 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.244 -8.885 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.438 -11.146 -7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.882 -10.154 -7.656 1.00 0.00 H new ATOM 1413 N TRP A 93 1.656 -7.115 -7.656 1.00 0.00 N ATOM 1414 CA TRP A 93 1.631 -5.822 -8.331 1.00 0.00 C ATOM 1415 C TRP A 93 0.580 -5.806 -9.435 1.00 0.00 C ATOM 1416 O TRP A 93 0.568 -6.676 -10.306 1.00 0.00 O ATOM 1417 CB TRP A 93 3.007 -5.501 -8.915 1.00 0.00 C ATOM 1418 CG TRP A 93 3.976 -4.976 -7.898 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.837 -5.708 -7.132 1.00 0.00 C ATOM 1420 CD2 TRP A 93 4.180 -3.606 -7.537 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.564 -4.875 -6.316 1.00 0.00 N ATOM 1422 CE2 TRP A 93 5.180 -3.580 -6.546 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.616 -2.397 -7.955 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.626 -2.395 -5.968 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 4.059 -1.221 -7.381 1.00 0.00 C ATOM 1426 CH2 TRP A 93 5.056 -1.226 -6.397 1.00 0.00 C ATOM 0 H TRP A 93 2.425 -7.723 -7.938 1.00 0.00 H new ATOM 0 HA TRP A 93 1.371 -5.061 -7.595 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.420 -6.402 -9.369 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.893 -4.766 -9.712 1.00 0.00 H new ATOM 0 HD1 TRP A 93 4.933 -6.783 -7.163 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.274 -5.173 -5.647 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.847 -2.383 -8.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.394 -2.397 -5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.629 -0.282 -7.696 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.382 -0.290 -5.968 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.300 -4.811 -9.394 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.354 -4.682 -10.393 1.00 0.00 C ATOM 1439 C ILE A 94 -0.970 -3.672 -11.469 1.00 0.00 C ATOM 1440 O ILE A 94 -0.914 -4.003 -12.654 1.00 0.00 O ATOM 1441 CB ILE A 94 -2.687 -4.251 -9.753 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.073 -5.216 -8.630 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -3.784 -4.188 -10.805 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.365 -4.936 -7.323 1.00 0.00 C ATOM 0 H ILE A 94 -0.304 -4.083 -8.680 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.480 -5.665 -10.848 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.563 -3.256 -9.326 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.150 -5.162 -8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.848 -6.235 -8.944 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.720 -3.882 -10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.510 -3.466 -11.574 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.910 -5.171 -11.259 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.687 -5.658 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.288 -5.019 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.609 -3.929 -6.985 1.00 0.00 H new ATOM 1456 N ARG A 95 -0.705 -2.439 -11.049 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.326 -1.380 -11.976 1.00 0.00 C ATOM 1458 C ARG A 95 0.960 -0.695 -11.523 1.00 0.00 C ATOM 1459 O ARG A 95 1.133 -0.395 -10.341 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.450 -0.351 -12.096 1.00 0.00 C ATOM 1461 CG ARG A 95 -2.797 -0.958 -12.453 1.00 0.00 C ATOM 1462 CD ARG A 95 -2.937 -1.162 -13.953 1.00 0.00 C ATOM 1463 NE ARG A 95 -2.024 -2.185 -14.454 1.00 0.00 N ATOM 1464 CZ ARG A 95 -1.691 -2.310 -15.735 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -2.195 -1.480 -16.638 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -0.854 -3.267 -16.113 1.00 0.00 N ATOM 0 H ARG A 95 -0.746 -2.149 -10.072 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.152 -1.832 -12.952 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.542 0.186 -11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.179 0.383 -12.855 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.913 -1.914 -11.942 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.596 -0.308 -12.097 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.963 -1.447 -14.186 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.743 -0.220 -14.466 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.619 -2.840 -13.785 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.840 -0.744 -16.350 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.938 -1.578 -17.620 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.466 -3.907 -15.421 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.599 -3.362 -17.096 1.00 0.00 H new ATOM 1480 N LYS A 96 1.859 -0.450 -12.469 1.00 0.00 N ATOM 1481 CA LYS A 96 3.129 0.201 -12.169 1.00 0.00 C ATOM 1482 C LYS A 96 3.183 1.598 -12.779 1.00 0.00 C ATOM 1483 O LYS A 96 4.259 2.108 -13.089 1.00 0.00 O ATOM 1484 CB LYS A 96 4.294 -0.641 -12.693 1.00 0.00 C ATOM 1485 CG LYS A 96 4.647 -1.817 -11.798 1.00 0.00 C ATOM 1486 CD LYS A 96 5.304 -2.939 -12.583 1.00 0.00 C ATOM 1487 CE LYS A 96 5.947 -3.963 -11.660 1.00 0.00 C ATOM 1488 NZ LYS A 96 6.558 -5.088 -12.421 1.00 0.00 N ATOM 0 H LYS A 96 1.732 -0.693 -13.452 1.00 0.00 H new ATOM 0 HA LYS A 96 3.214 0.293 -11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.044 -1.014 -13.686 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.171 -0.003 -12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.319 -1.484 -11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.745 -2.191 -11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.560 -3.430 -13.210 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.059 -2.524 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.712 -3.477 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.197 -4.354 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.986 -5.764 -11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.824 -5.568 -12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.292 -4.718 -13.059 1.00 0.00 H new ATOM 1502 N GLU A 97 2.015 2.210 -12.949 1.00 0.00 N ATOM 1503 CA GLU A 97 1.931 3.548 -13.522 1.00 0.00 C ATOM 1504 C GLU A 97 2.094 4.614 -12.442 1.00 0.00 C ATOM 1505 O GLU A 97 1.948 4.334 -11.252 1.00 0.00 O ATOM 1506 CB GLU A 97 0.594 3.736 -14.241 1.00 0.00 C ATOM 1507 CG GLU A 97 0.653 4.732 -15.387 1.00 0.00 C ATOM 1508 CD GLU A 97 1.770 4.428 -16.366 1.00 0.00 C ATOM 1509 OE1 GLU A 97 2.113 3.238 -16.526 1.00 0.00 O ATOM 1510 OE2 GLU A 97 2.302 5.381 -16.974 1.00 0.00 O ATOM 0 H GLU A 97 1.115 1.801 -12.698 1.00 0.00 H new ATOM 0 HA GLU A 97 2.742 3.658 -14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.259 2.772 -14.625 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.153 4.069 -13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.300 4.728 -15.916 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.790 5.736 -14.985 1.00 0.00 H new ATOM 1517 N SER A 98 2.398 5.836 -12.866 1.00 0.00 N ATOM 1518 CA SER A 98 2.585 6.944 -11.935 1.00 0.00 C ATOM 1519 C SER A 98 1.382 7.882 -11.959 1.00 0.00 C ATOM 1520 O SER A 98 1.256 8.726 -12.846 1.00 0.00 O ATOM 1521 CB SER A 98 3.858 7.719 -12.282 1.00 0.00 C ATOM 1522 OG SER A 98 4.818 6.875 -12.893 1.00 0.00 O ATOM 0 H SER A 98 2.520 6.085 -13.848 1.00 0.00 H new ATOM 0 HA SER A 98 2.682 6.531 -10.931 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.614 8.543 -12.953 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.278 8.158 -11.377 1.00 0.00 H new ATOM 0 HG SER A 98 5.621 7.394 -13.107 1.00 0.00 H new ATOM 1528 N LEU A 99 0.501 7.728 -10.977 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.693 8.561 -10.882 1.00 0.00 C ATOM 1530 C LEU A 99 -0.392 9.864 -10.149 1.00 0.00 C ATOM 1531 O LEU A 99 0.074 9.869 -9.009 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.811 7.804 -10.164 1.00 0.00 C ATOM 1533 CG LEU A 99 -3.041 8.628 -9.781 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -3.948 8.824 -10.986 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.799 7.959 -8.644 1.00 0.00 C ATOM 0 H LEU A 99 0.591 7.034 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.018 8.803 -11.894 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.134 6.982 -10.802 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.399 7.361 -9.258 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.706 9.608 -9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.818 9.412 -10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.402 9.347 -11.771 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.275 7.853 -11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.671 8.560 -8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.122 6.966 -8.957 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.148 7.871 -7.774 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.665 10.995 -10.815 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.433 12.325 -10.244 1.00 0.00 C ATOM 1549 C PRO A 100 -1.400 12.645 -9.108 1.00 0.00 C ATOM 1550 O PRO A 100 -2.606 12.430 -9.227 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.670 13.266 -11.428 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.586 12.514 -12.332 1.00 0.00 C ATOM 1553 CD PRO A 100 -1.221 11.063 -12.177 1.00 0.00 C ATOM 0 HA PRO A 100 0.561 12.412 -9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.117 14.206 -11.104 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.265 13.515 -11.930 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.628 12.685 -12.062 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.467 12.838 -13.366 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.091 10.416 -12.289 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.492 10.750 -12.925 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.862 13.160 -8.008 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.677 13.509 -6.850 1.00 0.00 C ATOM 1563 C PHE A 101 -2.935 14.260 -7.277 1.00 0.00 C ATOM 1564 O PHE A 101 -4.024 14.012 -6.759 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.870 14.361 -5.869 1.00 0.00 C ATOM 1566 CG PHE A 101 0.133 13.573 -5.076 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.253 12.445 -4.371 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.463 13.961 -5.035 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.667 11.719 -3.640 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.388 13.239 -4.305 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.990 12.115 -3.608 1.00 0.00 C ATOM 0 H PHE A 101 0.135 13.345 -7.894 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.976 12.584 -6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.350 15.144 -6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.555 14.857 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.286 12.129 -4.393 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.780 14.838 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.352 10.842 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.421 13.553 -4.280 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.711 11.547 -3.039 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.776 15.178 -8.225 1.00 0.00 N ATOM 1582 CA GLN A 102 -3.899 15.966 -8.721 1.00 0.00 C ATOM 1583 C GLN A 102 -5.143 15.098 -8.883 1.00 0.00 C ATOM 1584 O GLN A 102 -6.264 15.557 -8.667 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.540 16.619 -10.056 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.704 17.345 -10.711 1.00 0.00 C ATOM 1587 CD GLN A 102 -4.826 18.785 -10.252 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -5.618 19.101 -9.364 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -4.040 19.667 -10.857 1.00 0.00 N ATOM 0 H GLN A 102 -1.882 15.394 -8.665 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.115 16.745 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.725 17.325 -9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -3.170 15.853 -10.738 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.579 17.322 -11.794 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.630 16.816 -10.486 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.398 19.361 -11.588 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.078 20.651 -10.591 1.00 0.00 H new ATOM 1598 N PHE A 103 -4.937 13.843 -9.266 1.00 0.00 N ATOM 1599 CA PHE A 103 -6.042 12.911 -9.459 1.00 0.00 C ATOM 1600 C PHE A 103 -6.666 12.523 -8.122 1.00 0.00 C ATOM 1601 O PHE A 103 -7.884 12.390 -8.008 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.559 11.658 -10.192 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.576 11.795 -11.688 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -4.937 12.857 -12.307 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -6.231 10.861 -12.475 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -4.950 12.985 -13.683 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -6.247 10.984 -13.851 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.607 12.048 -14.456 1.00 0.00 C ATOM 0 H PHE A 103 -4.015 13.447 -9.449 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.801 13.407 -10.064 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.545 11.425 -9.868 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.187 10.814 -9.905 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.423 13.593 -11.707 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.735 10.028 -12.007 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.447 13.817 -14.153 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.760 10.249 -14.453 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.620 12.147 -15.531 1.00 0.00 H new ATOM 1618 N ALA A 104 -5.821 12.342 -7.112 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.289 11.970 -5.782 1.00 0.00 C ATOM 1620 C ALA A 104 -6.346 13.184 -4.862 1.00 0.00 C ATOM 1621 O ALA A 104 -6.458 13.047 -3.643 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.389 10.896 -5.188 1.00 0.00 C ATOM 0 H ALA A 104 -4.809 12.447 -7.189 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.299 11.571 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.750 10.627 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.402 10.015 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.370 11.276 -5.114 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.268 14.373 -5.451 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.311 15.612 -4.683 1.00 0.00 C ATOM 1630 C HIS A 105 -7.718 15.875 -4.155 1.00 0.00 C ATOM 1631 O HIS A 105 -7.913 16.698 -3.261 1.00 0.00 O ATOM 1632 CB HIS A 105 -5.849 16.787 -5.545 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.410 17.977 -4.748 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -5.784 18.185 -3.437 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -4.623 19.026 -5.084 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.247 19.311 -3.002 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -4.537 19.841 -3.982 1.00 0.00 N ATOM 0 H HIS A 105 -6.175 14.505 -6.458 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.637 15.508 -3.833 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.025 16.460 -6.179 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.662 17.083 -6.207 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.382 17.566 -2.889 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.151 19.191 -6.041 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.368 19.728 -2.013 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.697 15.171 -4.716 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.087 15.329 -4.302 1.00 0.00 C ATOM 1647 C HIS A 106 -10.443 14.330 -3.205 1.00 0.00 C ATOM 1648 O HIS A 106 -11.379 14.546 -2.434 1.00 0.00 O ATOM 1649 CB HIS A 106 -11.021 15.146 -5.498 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.066 13.741 -6.014 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -9.993 13.129 -6.626 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.064 12.826 -6.005 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.329 11.900 -6.973 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.581 11.691 -6.606 1.00 0.00 N ATOM 0 H HIS A 106 -8.553 14.486 -5.458 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.211 16.337 -3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.028 15.452 -5.212 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.702 15.809 -6.302 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.056 12.964 -5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.689 11.187 -7.472 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.104 10.826 -6.747 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.693 13.235 -3.142 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.931 12.202 -2.140 1.00 0.00 C ATOM 1664 C LEU A 107 -9.228 12.541 -0.830 1.00 0.00 C ATOM 1665 O LEU A 107 -8.152 13.142 -0.827 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.447 10.844 -2.655 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.976 10.419 -4.025 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -9.291 9.143 -4.488 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.485 10.230 -3.980 1.00 0.00 C ATOM 0 H LEU A 107 -8.915 13.040 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.004 12.152 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.358 10.861 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.726 10.082 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.751 11.209 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.680 8.855 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.217 9.313 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.485 8.345 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.843 9.928 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.734 9.459 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.961 11.168 -3.693 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.841 12.152 0.282 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.273 12.413 1.601 1.00 0.00 C ATOM 1683 C LEU A 108 -9.513 11.236 2.540 1.00 0.00 C ATOM 1684 O LEU A 108 -10.122 10.238 2.157 1.00 0.00 O ATOM 1685 CB LEU A 108 -9.878 13.686 2.195 1.00 0.00 C ATOM 1686 CG LEU A 108 -9.987 14.883 1.249 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -11.012 15.880 1.766 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.630 15.551 1.076 1.00 0.00 C ATOM 0 H LEU A 108 -10.731 11.655 0.297 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.198 12.548 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.875 13.451 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.278 13.982 3.056 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.320 14.523 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.076 16.725 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.986 15.396 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.710 16.235 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.726 16.401 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.269 15.897 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.922 14.834 0.660 1.00 0.00 H new ATOM 1700 N ASN A 109 -9.032 11.361 3.772 1.00 0.00 N ATOM 1701 CA ASN A 109 -9.195 10.308 4.768 1.00 0.00 C ATOM 1702 C ASN A 109 -9.860 10.850 6.030 1.00 0.00 C ATOM 1703 O ASN A 109 -9.235 11.524 6.849 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.839 9.692 5.116 1.00 0.00 C ATOM 1705 CG ASN A 109 -7.958 8.565 6.124 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -7.325 8.591 7.179 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -8.772 7.566 5.802 1.00 0.00 N ATOM 0 H ASN A 109 -8.526 12.181 4.105 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.838 9.537 4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.370 9.315 4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.183 10.466 5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.891 6.780 6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -9.278 7.585 4.916 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.157 10.550 6.191 1.00 0.00 N ATOM 1715 CA PRO A 110 -11.934 10.996 7.351 1.00 0.00 C ATOM 1716 C PRO A 110 -11.511 10.295 8.637 1.00 0.00 C ATOM 1717 O PRO A 110 -12.077 10.538 9.703 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.371 10.616 6.983 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.229 9.485 6.023 1.00 0.00 C ATOM 1720 CD PRO A 110 -11.965 9.751 5.254 1.00 0.00 C ATOM 0 HA PRO A 110 -11.797 12.059 7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.940 10.319 7.864 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.899 11.455 6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -13.173 8.532 6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -14.088 9.430 5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.461 8.825 4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.164 10.294 4.330 1.00 0.00 H new ATOM 1728 N TRP A 111 -10.513 9.425 8.530 1.00 0.00 N ATOM 1729 CA TRP A 111 -10.014 8.689 9.686 1.00 0.00 C ATOM 1730 C TRP A 111 -8.733 9.320 10.222 1.00 0.00 C ATOM 1731 O TRP A 111 -8.246 8.947 11.288 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.759 7.227 9.314 1.00 0.00 C ATOM 1733 CG TRP A 111 -11.015 6.457 9.039 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -12.282 6.959 8.952 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -11.124 5.047 8.817 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -13.172 5.946 8.688 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -12.487 4.764 8.600 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -10.204 3.996 8.778 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -12.948 3.474 8.350 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -10.663 2.717 8.530 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -12.025 2.465 8.318 1.00 0.00 C ATOM 0 H TRP A 111 -10.034 9.212 7.655 1.00 0.00 H new ATOM 0 HA TRP A 111 -10.773 8.731 10.467 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -9.118 7.190 8.433 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -9.214 6.743 10.125 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.546 7.999 9.073 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -14.180 6.057 8.576 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -9.152 4.181 8.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -13.997 3.277 8.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -9.960 1.897 8.499 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -12.353 1.454 8.126 1.00 0.00 H new ATOM 1752 N ASN A 112 -8.194 10.279 9.476 1.00 0.00 N ATOM 1753 CA ASN A 112 -6.970 10.962 9.877 1.00 0.00 C ATOM 1754 C ASN A 112 -7.102 12.471 9.691 1.00 0.00 C ATOM 1755 O ASN A 112 -6.599 13.033 8.719 1.00 0.00 O ATOM 1756 CB ASN A 112 -5.781 10.440 9.068 1.00 0.00 C ATOM 1757 CG ASN A 112 -4.490 11.158 9.408 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -4.171 11.366 10.579 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -3.739 11.542 8.382 1.00 0.00 N ATOM 0 H ASN A 112 -8.586 10.600 8.591 1.00 0.00 H new ATOM 0 HA ASN A 112 -6.800 10.757 10.934 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.660 9.373 9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.989 10.557 8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.859 12.030 8.549 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.042 11.349 7.427 1.00 0.00 H new ATOM 1766 N ASP A 113 -7.782 13.119 10.630 1.00 0.00 N ATOM 1767 CA ASP A 113 -7.979 14.563 10.571 1.00 0.00 C ATOM 1768 C ASP A 113 -8.441 14.992 9.182 1.00 0.00 C ATOM 1769 O ASP A 113 -7.943 15.970 8.626 1.00 0.00 O ATOM 1770 CB ASP A 113 -6.686 15.292 10.940 1.00 0.00 C ATOM 1771 CG ASP A 113 -6.069 14.764 12.220 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -6.782 14.708 13.244 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -4.873 14.405 12.197 1.00 0.00 O ATOM 0 H ASP A 113 -8.206 12.668 11.441 1.00 0.00 H new ATOM 0 HA ASP A 113 -8.754 14.828 11.290 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.969 15.189 10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.892 16.357 11.051 1.00 0.00 H new ATOM 1778 N ASN A 114 -9.396 14.253 8.627 1.00 0.00 N ATOM 1779 CA ASN A 114 -9.924 14.556 7.302 1.00 0.00 C ATOM 1780 C ASN A 114 -8.817 15.048 6.375 1.00 0.00 C ATOM 1781 O ASN A 114 -9.050 15.882 5.499 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.029 15.609 7.399 1.00 0.00 C ATOM 1783 CG ASN A 114 -10.741 16.654 8.460 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -9.936 17.649 8.107 1.00 0.00 O flip ATOM 1785 ND2 ASN A 114 -11.237 16.567 9.583 1.00 0.00 N flip ATOM 0 H ASN A 114 -9.820 13.440 9.074 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.341 13.639 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.146 16.099 6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.976 15.118 7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -11.851 15.784 9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.035 17.277 10.286 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.611 14.526 6.572 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.467 14.910 5.754 1.00 0.00 C ATOM 1794 C LYS A 115 -6.470 14.158 4.427 1.00 0.00 C ATOM 1795 O LYS A 115 -6.946 13.025 4.345 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.162 14.635 6.505 1.00 0.00 C ATOM 1797 CG LYS A 115 -4.760 15.751 7.453 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.309 16.990 6.698 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.452 18.244 7.546 1.00 0.00 C ATOM 1800 NZ LYS A 115 -3.534 19.327 7.095 1.00 0.00 N ATOM 0 H LYS A 115 -7.401 13.835 7.292 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.542 15.977 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.266 13.709 7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.362 14.478 5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.602 16.003 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.955 15.406 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.269 16.873 6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.898 17.097 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.482 18.598 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.245 18.003 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.662 20.164 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.550 18.998 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.748 19.575 6.108 1.00 0.00 H new ATOM 1814 N LYS A 116 -5.935 14.793 3.391 1.00 0.00 N ATOM 1815 CA LYS A 116 -5.874 14.184 2.067 1.00 0.00 C ATOM 1816 C LYS A 116 -5.158 12.838 2.121 1.00 0.00 C ATOM 1817 O LYS A 116 -4.307 12.610 2.980 1.00 0.00 O ATOM 1818 CB LYS A 116 -5.157 15.115 1.087 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.873 14.477 -0.262 1.00 0.00 C ATOM 1820 CD LYS A 116 -4.882 15.507 -1.379 1.00 0.00 C ATOM 1821 CE LYS A 116 -4.036 16.720 -1.025 1.00 0.00 C ATOM 1822 NZ LYS A 116 -4.807 17.725 -0.242 1.00 0.00 N ATOM 0 H LYS A 116 -5.537 15.731 3.442 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.895 14.020 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.764 16.008 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.216 15.441 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.904 13.979 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.620 13.710 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.505 15.054 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -5.907 15.822 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.167 16.401 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.662 17.181 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.497 18.682 -0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.821 17.621 -0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.642 17.575 0.774 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.509 11.949 1.197 1.00 0.00 N ATOM 1837 CA VAL A 117 -4.899 10.626 1.138 1.00 0.00 C ATOM 1838 C VAL A 117 -3.380 10.725 1.052 1.00 0.00 C ATOM 1839 O VAL A 117 -2.662 10.030 1.770 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.420 9.821 -0.067 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.182 8.333 0.141 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -6.896 10.106 -0.301 1.00 0.00 C ATOM 0 H VAL A 117 -6.213 12.121 0.479 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.175 10.109 2.057 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.869 10.132 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.557 7.781 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.114 8.148 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.705 8.003 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.247 9.529 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.466 9.825 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.034 11.169 -0.499 1.00 0.00 H new ATOM 1852 N GLN A 118 -2.899 11.593 0.168 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.464 11.782 -0.012 1.00 0.00 C ATOM 1854 C GLN A 118 -0.788 12.115 1.314 1.00 0.00 C ATOM 1855 O GLN A 118 0.422 11.945 1.465 1.00 0.00 O ATOM 1856 CB GLN A 118 -1.199 12.896 -1.027 1.00 0.00 C ATOM 1857 CG GLN A 118 -1.075 14.275 -0.399 1.00 0.00 C ATOM 1858 CD GLN A 118 -0.803 15.359 -1.422 1.00 0.00 C ATOM 1859 OE1 GLN A 118 0.086 16.192 -1.239 1.00 0.00 O ATOM 1860 NE2 GLN A 118 -1.567 15.355 -2.508 1.00 0.00 N ATOM 0 H GLN A 118 -3.481 12.176 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.044 10.849 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.282 12.670 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.008 12.910 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.994 14.510 0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.270 14.264 0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.292 14.646 -2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.429 16.061 -3.231 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.577 12.591 2.272 1.00 0.00 N ATOM 1870 CA ILE A 119 -1.055 12.947 3.585 1.00 0.00 C ATOM 1871 C ILE A 119 -1.184 11.784 4.562 1.00 0.00 C ATOM 1872 O ILE A 119 -1.927 11.862 5.541 1.00 0.00 O ATOM 1873 CB ILE A 119 -1.781 14.175 4.166 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -1.701 15.351 3.190 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -1.183 14.555 5.512 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -2.515 16.550 3.623 1.00 0.00 C ATOM 0 H ILE A 119 -2.580 12.739 2.163 1.00 0.00 H new ATOM 0 HA ILE A 119 -0.001 13.189 3.450 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.831 13.922 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.659 15.650 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.045 15.023 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.706 15.424 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -1.287 13.720 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.127 14.793 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.412 17.345 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.564 16.266 3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.156 16.903 4.590 1.00 0.00 H new ATOM 1888 N SER A 120 -0.456 10.706 4.291 1.00 0.00 N ATOM 1889 CA SER A 120 -0.491 9.525 5.145 1.00 0.00 C ATOM 1890 C SER A 120 0.919 9.008 5.415 1.00 0.00 C ATOM 1891 O SER A 120 1.839 9.244 4.633 1.00 0.00 O ATOM 1892 CB SER A 120 -1.334 8.425 4.497 1.00 0.00 C ATOM 1893 OG SER A 120 -2.694 8.534 4.877 1.00 0.00 O ATOM 0 H SER A 120 0.166 10.626 3.486 1.00 0.00 H new ATOM 0 HA SER A 120 -0.944 9.808 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.250 8.490 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.949 7.448 4.789 1.00 0.00 H new ATOM 0 HG SER A 120 -3.212 7.821 4.448 1.00 0.00 H new ATOM 1899 N ARG A 121 1.080 8.301 6.529 1.00 0.00 N ATOM 1900 CA ARG A 121 2.377 7.751 6.905 1.00 0.00 C ATOM 1901 C ARG A 121 2.471 6.275 6.530 1.00 0.00 C ATOM 1902 O ARG A 121 1.488 5.669 6.102 1.00 0.00 O ATOM 1903 CB ARG A 121 2.613 7.923 8.406 1.00 0.00 C ATOM 1904 CG ARG A 121 2.827 9.368 8.828 1.00 0.00 C ATOM 1905 CD ARG A 121 3.135 9.476 10.313 1.00 0.00 C ATOM 1906 NE ARG A 121 2.944 10.834 10.814 1.00 0.00 N ATOM 1907 CZ ARG A 121 3.343 11.236 12.016 1.00 0.00 C ATOM 1908 NH1 ARG A 121 3.952 10.389 12.834 1.00 0.00 N ATOM 1909 NH2 ARG A 121 3.134 12.489 12.401 1.00 0.00 N ATOM 0 H ARG A 121 0.328 8.096 7.187 1.00 0.00 H new ATOM 0 HA ARG A 121 3.147 8.297 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.759 7.518 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.483 7.335 8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.647 9.798 8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.936 9.951 8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.493 8.792 10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 121 4.164 9.164 10.493 1.00 0.00 H new ATOM 0 HE ARG A 121 2.479 11.511 10.209 1.00 0.00 H new ATOM 0 HH11 ARG A 121 4.115 9.426 12.541 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.257 10.701 13.756 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.667 13.144 11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 121 3.441 12.797 13.324 1.00 0.00 H new ATOM 1923 N ASP A 122 3.659 5.703 6.694 1.00 0.00 N ATOM 1924 CA ASP A 122 3.881 4.298 6.374 1.00 0.00 C ATOM 1925 C ASP A 122 3.174 3.393 7.378 1.00 0.00 C ATOM 1926 O ASP A 122 3.409 3.482 8.582 1.00 0.00 O ATOM 1927 CB ASP A 122 5.379 3.988 6.356 1.00 0.00 C ATOM 1928 CG ASP A 122 6.155 4.823 7.355 1.00 0.00 C ATOM 1929 OD1 ASP A 122 6.352 6.028 7.093 1.00 0.00 O ATOM 1930 OD2 ASP A 122 6.566 4.271 8.397 1.00 0.00 O ATOM 0 H ASP A 122 4.483 6.191 7.047 1.00 0.00 H new ATOM 0 HA ASP A 122 3.466 4.106 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.531 2.931 6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.772 4.166 5.355 1.00 0.00 H new ATOM 1935 N GLY A 123 2.304 2.523 6.873 1.00 0.00 N ATOM 1936 CA GLY A 123 1.575 1.615 7.740 1.00 0.00 C ATOM 1937 C GLY A 123 0.376 2.275 8.392 1.00 0.00 C ATOM 1938 O GLY A 123 0.009 1.935 9.516 1.00 0.00 O ATOM 0 H GLY A 123 2.091 2.431 5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.242 0.754 7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.245 1.240 8.514 1.00 0.00 H new ATOM 1942 N GLN A 124 -0.235 3.220 7.685 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.398 3.930 8.204 1.00 0.00 C ATOM 1944 C GLN A 124 -2.687 3.366 7.615 1.00 0.00 C ATOM 1945 O GLN A 124 -2.774 3.116 6.414 1.00 0.00 O ATOM 1946 CB GLN A 124 -1.292 5.424 7.891 1.00 0.00 C ATOM 1947 CG GLN A 124 -0.556 6.218 8.958 1.00 0.00 C ATOM 1948 CD GLN A 124 -1.249 6.167 10.305 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -2.194 6.914 10.559 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -0.782 5.282 11.178 1.00 0.00 N ATOM 0 H GLN A 124 0.056 3.512 6.752 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.423 3.793 9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.780 5.552 6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -2.295 5.834 7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 124 0.457 5.830 9.060 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -0.469 7.256 8.638 1.00 0.00 H new ATOM 0 HE21 GLN A 124 0.004 4.682 10.926 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.209 5.202 12.101 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.685 3.167 8.471 1.00 0.00 N ATOM 1960 CA GLU A 125 -4.969 2.630 8.035 1.00 0.00 C ATOM 1961 C GLU A 125 -5.677 3.607 7.100 1.00 0.00 C ATOM 1962 O GLU A 125 -5.904 4.766 7.451 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.857 2.328 9.244 1.00 0.00 C ATOM 1964 CG GLU A 125 -6.930 1.289 8.965 1.00 0.00 C ATOM 1965 CD GLU A 125 -7.376 0.561 10.219 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -7.928 1.222 11.123 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -7.173 -0.668 10.296 1.00 0.00 O ATOM 0 H GLU A 125 -3.629 3.369 9.469 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.782 1.704 7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.231 1.981 10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.334 3.251 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.791 1.775 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.551 0.565 8.244 1.00 0.00 H new ATOM 1974 N LEU A 126 -6.023 3.131 5.909 1.00 0.00 N ATOM 1975 CA LEU A 126 -6.706 3.961 4.923 1.00 0.00 C ATOM 1976 C LEU A 126 -8.158 3.525 4.755 1.00 0.00 C ATOM 1977 O LEU A 126 -8.436 2.364 4.458 1.00 0.00 O ATOM 1978 CB LEU A 126 -5.981 3.888 3.578 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.443 4.882 2.511 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.032 6.297 2.887 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -5.880 4.504 1.149 1.00 0.00 C ATOM 0 H LEU A 126 -5.842 2.175 5.603 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.695 4.991 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.916 4.042 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.096 2.880 3.180 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.531 4.845 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.369 6.991 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.485 6.566 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.947 6.350 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.219 5.222 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.791 4.511 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.226 3.507 0.876 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.078 4.465 4.946 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.502 4.177 4.815 1.00 0.00 C ATOM 1995 C GLU A 127 -10.799 3.504 3.478 1.00 0.00 C ATOM 1996 O GLU A 127 -10.242 3.857 2.439 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.319 5.464 4.943 1.00 0.00 C ATOM 1998 CG GLU A 127 -12.821 5.235 4.933 1.00 0.00 C ATOM 1999 CD GLU A 127 -13.605 6.514 4.714 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -13.138 7.371 3.935 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.686 6.659 5.323 1.00 0.00 O ATOM 0 H GLU A 127 -8.863 5.431 5.192 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.784 3.495 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.043 5.969 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.057 6.134 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.071 4.521 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -13.123 4.786 5.879 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.700 2.510 3.504 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.092 1.766 2.303 1.00 0.00 C ATOM 2010 C PRO A 128 -12.912 2.615 1.338 1.00 0.00 C ATOM 2011 O PRO A 128 -12.726 2.543 0.123 1.00 0.00 O ATOM 2012 CB PRO A 128 -12.940 0.619 2.858 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.469 1.131 4.153 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.404 2.036 4.707 1.00 0.00 C ATOM 0 HA PRO A 128 -11.227 1.436 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.749 0.358 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.342 -0.281 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.403 1.673 4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.680 0.311 4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -12.834 2.863 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -11.734 1.502 5.381 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.818 3.418 1.886 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.666 4.281 1.071 1.00 0.00 C ATOM 2024 C GLN A 129 -13.825 5.151 0.143 1.00 0.00 C ATOM 2025 O GLN A 129 -14.165 5.340 -1.025 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.540 5.163 1.964 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.857 5.565 1.320 1.00 0.00 C ATOM 2028 CD GLN A 129 -17.533 6.713 2.043 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -17.791 6.640 3.245 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -17.824 7.784 1.313 1.00 0.00 N ATOM 0 H GLN A 129 -13.984 3.489 2.890 1.00 0.00 H new ATOM 0 HA GLN A 129 -15.308 3.646 0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.747 4.633 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -14.984 6.063 2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.678 5.849 0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.527 4.705 1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -17.593 7.802 0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -18.279 8.588 1.746 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.725 5.679 0.670 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.835 6.529 -0.112 1.00 0.00 C ATOM 2041 C VAL A 130 -10.735 5.709 -0.777 1.00 0.00 C ATOM 2042 O VAL A 130 -10.312 6.008 -1.892 1.00 0.00 O ATOM 2043 CB VAL A 130 -11.189 7.620 0.763 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -12.252 8.385 1.536 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -10.168 7.007 1.710 1.00 0.00 C ATOM 0 H VAL A 130 -12.429 5.533 1.635 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.445 7.004 -0.881 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.671 8.324 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.776 9.151 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.942 8.856 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.801 7.696 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.721 7.792 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.661 6.281 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.389 6.509 1.133 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.277 4.671 -0.083 1.00 0.00 N ATOM 2056 CA GLY A 131 -9.231 3.822 -0.623 1.00 0.00 C ATOM 2057 C GLY A 131 -9.663 3.099 -1.882 1.00 0.00 C ATOM 2058 O GLY A 131 -8.858 2.883 -2.788 1.00 0.00 O ATOM 0 H GLY A 131 -10.611 4.403 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.351 4.428 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.937 3.090 0.129 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.936 2.721 -1.939 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.472 2.015 -3.097 1.00 0.00 C ATOM 2064 C GLU A 132 -11.539 2.935 -4.312 1.00 0.00 C ATOM 2065 O GLU A 132 -11.084 2.578 -5.398 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.864 1.462 -2.785 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.977 2.482 -2.958 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.347 1.908 -2.651 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.720 0.894 -3.278 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -16.046 2.473 -1.784 1.00 0.00 O ATOM 0 H GLU A 132 -11.615 2.892 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.803 1.186 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -13.061 0.609 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.877 1.092 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.789 3.334 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.965 2.857 -3.981 1.00 0.00 H new ATOM 2077 N GLN A 133 -12.110 4.120 -4.120 1.00 0.00 N ATOM 2078 CA GLN A 133 -12.238 5.090 -5.200 1.00 0.00 C ATOM 2079 C GLN A 133 -10.882 5.693 -5.553 1.00 0.00 C ATOM 2080 O GLN A 133 -10.747 6.401 -6.552 1.00 0.00 O ATOM 2081 CB GLN A 133 -13.215 6.199 -4.806 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.824 6.931 -3.533 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.887 7.906 -3.069 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -13.539 8.749 -2.104 1.00 0.00 O flip ATOM 2085 NE2 GLN A 133 -15.011 7.903 -3.574 1.00 0.00 N flip ATOM 0 H GLN A 133 -12.491 4.431 -3.226 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.624 4.570 -6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.283 6.918 -5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.208 5.768 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.635 6.203 -2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.891 7.469 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.236 7.238 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.716 8.566 -3.252 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.881 5.410 -4.728 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.535 5.924 -4.952 1.00 0.00 C ATOM 2096 C LEU A 134 -7.784 5.064 -5.964 1.00 0.00 C ATOM 2097 O LEU A 134 -6.960 5.564 -6.730 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.760 5.974 -3.634 1.00 0.00 C ATOM 2099 CG LEU A 134 -6.243 6.118 -3.753 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.868 7.551 -4.100 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.563 5.686 -2.461 1.00 0.00 C ATOM 0 H LEU A 134 -9.976 4.827 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.622 6.933 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -8.139 6.809 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.976 5.064 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.898 5.468 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.784 7.634 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.325 7.827 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.226 8.220 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.483 5.795 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.914 6.310 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.804 4.643 -2.254 1.00 0.00 H new ATOM 2113 N LEU A 135 -8.076 3.768 -5.962 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.431 2.837 -6.882 1.00 0.00 C ATOM 2115 C LEU A 135 -7.990 2.990 -8.293 1.00 0.00 C ATOM 2116 O LEU A 135 -7.236 3.085 -9.261 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.621 1.398 -6.399 1.00 0.00 C ATOM 2118 CG LEU A 135 -7.023 1.064 -5.032 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -7.205 -0.412 -4.716 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.550 1.444 -4.987 1.00 0.00 C ATOM 0 H LEU A 135 -8.755 3.338 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.366 3.068 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.689 1.185 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -7.183 0.727 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.550 1.644 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.773 -0.631 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -8.268 -0.653 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.705 -1.011 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.141 1.199 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.008 0.892 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.445 2.514 -5.167 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.314 3.016 -8.400 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.973 3.159 -9.693 1.00 0.00 C ATOM 2134 C GLN A 136 -9.327 4.270 -10.513 1.00 0.00 C ATOM 2135 O GLN A 136 -9.370 4.254 -11.744 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.462 3.451 -9.500 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.736 4.680 -8.647 1.00 0.00 C ATOM 2138 CD GLN A 136 -13.212 5.015 -8.564 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -14.040 4.154 -8.265 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -13.550 6.272 -8.828 1.00 0.00 N ATOM 0 H GLN A 136 -9.952 2.940 -7.607 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.861 2.220 -10.236 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.927 3.586 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.937 2.585 -9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.348 4.514 -7.642 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.197 5.532 -9.060 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.831 6.953 -9.072 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.529 6.556 -8.787 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.728 5.235 -9.824 1.00 0.00 N ATOM 2150 CA LEU A 137 -8.071 6.356 -10.489 1.00 0.00 C ATOM 2151 C LEU A 137 -7.075 5.862 -11.533 1.00 0.00 C ATOM 2152 O LEU A 137 -6.995 6.405 -12.634 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.357 7.236 -9.462 1.00 0.00 C ATOM 2154 CG LEU A 137 -8.247 8.180 -8.652 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.452 8.836 -7.534 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.870 9.234 -9.556 1.00 0.00 C ATOM 0 H LEU A 137 -8.683 5.264 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.836 6.946 -10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.822 6.588 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.608 7.833 -9.983 1.00 0.00 H new ATOM 0 HG LEU A 137 -9.050 7.595 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -8.102 9.504 -6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -7.056 8.068 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.628 9.407 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.500 9.896 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -8.082 9.815 -10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.475 8.746 -10.320 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.319 4.829 -11.179 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.329 4.260 -12.087 1.00 0.00 C ATOM 2170 C TRP A 138 -5.968 3.876 -13.417 1.00 0.00 C ATOM 2171 O TRP A 138 -5.281 3.741 -14.429 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.669 3.036 -11.451 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.422 3.364 -10.686 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -2.138 3.301 -11.146 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.343 3.803 -9.326 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.265 3.675 -10.153 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.979 3.989 -9.027 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.291 4.060 -8.332 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.543 4.418 -7.776 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.857 4.486 -7.091 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.493 4.662 -6.822 1.00 0.00 C ATOM 0 H TRP A 138 -6.372 4.368 -10.270 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.568 5.017 -12.277 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.382 2.555 -10.781 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.428 2.315 -12.232 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.851 3.001 -12.143 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.249 3.713 -10.240 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.344 3.928 -8.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.492 4.553 -7.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.581 4.687 -6.315 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -2.186 4.997 -5.842 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.286 3.702 -13.408 1.00 0.00 N ATOM 2193 CA GLU A 139 -8.015 3.332 -14.615 1.00 0.00 C ATOM 2194 C GLU A 139 -8.230 4.546 -15.514 1.00 0.00 C ATOM 2195 O GLU A 139 -8.400 4.412 -16.726 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.364 2.708 -14.252 1.00 0.00 C ATOM 2197 CG GLU A 139 -9.246 1.459 -13.394 1.00 0.00 C ATOM 2198 CD GLU A 139 -10.448 0.545 -13.525 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -11.587 1.057 -13.517 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -10.250 -0.683 -13.636 1.00 0.00 O ATOM 0 H GLU A 139 -7.870 3.811 -12.579 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.418 2.599 -15.159 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.966 3.447 -13.723 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.898 2.460 -15.169 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.346 0.912 -13.677 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -9.128 1.750 -12.350 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.222 5.731 -14.911 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.418 6.969 -15.655 1.00 0.00 C ATOM 2209 C ARG A 140 -7.195 7.288 -16.510 1.00 0.00 C ATOM 2210 O ARG A 140 -7.297 7.979 -17.525 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.700 8.127 -14.696 1.00 0.00 C ATOM 2212 CG ARG A 140 -9.951 7.931 -13.856 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.562 9.262 -13.448 1.00 0.00 C ATOM 2214 NE ARG A 140 -10.985 10.048 -14.604 1.00 0.00 N ATOM 2215 CZ ARG A 140 -12.141 9.868 -15.231 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -12.986 8.934 -14.817 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -12.455 10.623 -16.276 1.00 0.00 N ATOM 0 H ARG A 140 -8.082 5.859 -13.909 1.00 0.00 H new ATOM 0 HA ARG A 140 -9.276 6.836 -16.314 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.844 8.255 -14.033 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.799 9.048 -15.271 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.682 7.351 -14.420 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.705 7.354 -12.965 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.419 9.083 -12.798 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.836 9.832 -12.869 1.00 0.00 H new ATOM 0 HE ARG A 140 -10.358 10.775 -14.948 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -12.749 8.351 -14.014 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.873 8.798 -15.301 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -11.808 11.343 -16.598 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -13.344 10.484 -16.757 1.00 0.00 H new ATOM 2231 N LEU A 141 -6.040 6.782 -16.093 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.796 7.013 -16.820 1.00 0.00 C ATOM 2233 C LEU A 141 -4.822 6.319 -18.178 1.00 0.00 C ATOM 2234 O LEU A 141 -4.812 5.091 -18.259 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.604 6.514 -16.002 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.632 6.840 -14.508 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.479 6.155 -13.791 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.580 8.345 -14.289 1.00 0.00 C ATOM 0 H LEU A 141 -5.938 6.209 -15.255 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.693 8.086 -16.983 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.538 5.432 -16.116 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.694 6.936 -16.429 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.567 6.465 -14.091 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.515 6.398 -12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.561 5.076 -13.919 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.534 6.499 -14.210 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.601 8.558 -13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.662 8.744 -14.721 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.440 8.812 -14.769 1.00 0.00 H new TER 2250 LEU A 141