USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 39 SER OG : rot 71:sc= -1.6! USER MOD Set 1.2: A 43 HIS : no HE2:sc= -0.409 K(o=-2,f=-2.8) USER MOD Set 2.1: A 12 CYS SG : rot -157:sc= 0.649! USER MOD Set 2.2: A 17 CYS SG : rot -6:sc= 1.56 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.128 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.019 (180deg=-1.07) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0394 K(o=-0.039,f=-2!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 55:sc= 0.174 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0289 F(o=-1.5!,f=-0.029) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 26:sc= 1.23 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0.9 (180deg=0.836) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -76:sc= 0.049 USER MOD Single : A 53 SER OG : rot -26:sc= 0.573 USER MOD Single : A 56 LYS NZ :NH3+ 154:sc= -0.175 (180deg=-0.924) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.88! C(o=-4.9!,f=-6.5!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc=-0.00157 F(o=-1.4!,f=-0.0016) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0468) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00421 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.718) USER MOD Single : A 95 THR OG1 : rot -82:sc= 1.16 USER MOD Single : A 103 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-2.6!) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 106 HIS :FLIP no HD1:sc= -0.267 F(o=-0.88,f=-0.27) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.851 -31.771 4.565 1.00 0.00 N ATOM 2 CA MET A 1 -20.761 -32.169 5.675 1.00 0.00 C ATOM 3 C MET A 1 -21.931 -32.966 5.098 1.00 0.00 C ATOM 4 O MET A 1 -22.191 -34.090 5.484 1.00 0.00 O ATOM 5 CB MET A 1 -21.301 -30.913 6.367 1.00 0.00 C ATOM 6 CG MET A 1 -20.176 -30.229 7.145 1.00 0.00 C ATOM 7 SD MET A 1 -20.789 -28.684 7.863 1.00 0.00 S ATOM 8 CE MET A 1 -21.981 -29.414 9.014 1.00 0.00 C ATOM 0 H1 MET A 1 -18.882 -31.671 4.929 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.868 -32.500 3.824 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.166 -30.864 4.166 1.00 0.00 H new ATOM 0 HA MET A 1 -20.216 -32.777 6.397 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.714 -30.227 5.627 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.114 -31.179 7.043 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.811 -30.888 7.932 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.334 -30.026 6.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.137 -28.737 9.854 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.928 -29.579 8.501 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.597 -30.366 9.381 1.00 0.00 H new ATOM 20 N SER A 2 -22.642 -32.379 4.176 1.00 0.00 N ATOM 21 CA SER A 2 -23.807 -33.073 3.562 1.00 0.00 C ATOM 22 C SER A 2 -23.341 -34.216 2.657 1.00 0.00 C ATOM 23 O SER A 2 -22.260 -34.196 2.098 1.00 0.00 O ATOM 24 CB SER A 2 -24.612 -32.071 2.734 1.00 0.00 C ATOM 25 OG SER A 2 -24.850 -30.907 3.514 1.00 0.00 O ATOM 0 H SER A 2 -22.464 -31.440 3.819 1.00 0.00 H new ATOM 0 HA SER A 2 -24.426 -33.487 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.068 -31.810 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.558 -32.515 2.422 1.00 0.00 H new ATOM 0 HG SER A 2 -25.364 -30.260 2.988 1.00 0.00 H new ATOM 31 N ASN A 3 -24.171 -35.211 2.513 1.00 0.00 N ATOM 32 CA ASN A 3 -23.832 -36.378 1.653 1.00 0.00 C ATOM 33 C ASN A 3 -22.425 -36.889 1.962 1.00 0.00 C ATOM 34 O ASN A 3 -21.800 -36.501 2.932 1.00 0.00 O ATOM 35 CB ASN A 3 -23.907 -35.980 0.177 1.00 0.00 C ATOM 36 CG ASN A 3 -25.368 -35.804 -0.233 1.00 0.00 C ATOM 37 OD1 ASN A 3 -26.263 -36.281 0.436 1.00 0.00 O ATOM 38 ND2 ASN A 3 -25.650 -35.134 -1.316 1.00 0.00 N ATOM 0 H ASN A 3 -25.085 -35.265 2.963 1.00 0.00 H new ATOM 0 HA ASN A 3 -24.551 -37.171 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -23.358 -35.053 0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -23.435 -36.744 -0.441 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -26.622 -35.011 -1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -24.899 -34.733 -1.878 1.00 0.00 H new ATOM 45 N GLN A 4 -21.934 -37.772 1.138 1.00 0.00 N ATOM 46 CA GLN A 4 -20.580 -38.340 1.358 1.00 0.00 C ATOM 47 C GLN A 4 -19.506 -37.294 1.055 1.00 0.00 C ATOM 48 O GLN A 4 -19.776 -36.116 0.920 1.00 0.00 O ATOM 49 CB GLN A 4 -20.381 -39.545 0.434 1.00 0.00 C ATOM 50 CG GLN A 4 -21.309 -40.683 0.868 1.00 0.00 C ATOM 51 CD GLN A 4 -21.142 -41.880 -0.075 1.00 0.00 C ATOM 52 OE1 GLN A 4 -20.035 -42.298 -0.358 1.00 0.00 O ATOM 53 NE2 GLN A 4 -22.203 -42.454 -0.575 1.00 0.00 N ATOM 0 H GLN A 4 -22.420 -38.126 0.314 1.00 0.00 H new ATOM 0 HA GLN A 4 -20.492 -38.647 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -20.592 -39.264 -0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.343 -39.875 0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -21.080 -40.980 1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -22.345 -40.343 0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -23.131 -42.104 -0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.103 -43.252 -1.202 1.00 0.00 H new ATOM 62 N THR A 5 -18.284 -37.737 0.954 1.00 0.00 N ATOM 63 CA THR A 5 -17.155 -36.810 0.665 1.00 0.00 C ATOM 64 C THR A 5 -17.197 -35.614 1.620 1.00 0.00 C ATOM 65 O THR A 5 -17.845 -34.615 1.370 1.00 0.00 O ATOM 66 CB THR A 5 -17.230 -36.327 -0.786 1.00 0.00 C ATOM 67 OG1 THR A 5 -17.113 -37.444 -1.656 1.00 0.00 O ATOM 68 CG2 THR A 5 -16.081 -35.352 -1.053 1.00 0.00 C ATOM 0 H THR A 5 -18.016 -38.715 1.061 1.00 0.00 H new ATOM 0 HA THR A 5 -16.216 -37.344 0.811 1.00 0.00 H new ATOM 0 HB THR A 5 -18.182 -35.826 -0.960 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.162 -37.140 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.130 -35.005 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.164 -34.499 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.129 -35.856 -0.885 1.00 0.00 H new ATOM 76 N CYS A 6 -16.493 -35.717 2.711 1.00 0.00 N ATOM 77 CA CYS A 6 -16.459 -34.605 3.701 1.00 0.00 C ATOM 78 C CYS A 6 -15.391 -34.917 4.753 1.00 0.00 C ATOM 79 O CYS A 6 -15.685 -35.162 5.908 1.00 0.00 O ATOM 80 CB CYS A 6 -17.831 -34.457 4.368 1.00 0.00 C ATOM 81 SG CYS A 6 -18.257 -35.984 5.240 1.00 0.00 S ATOM 0 H CYS A 6 -15.934 -36.532 2.962 1.00 0.00 H new ATOM 0 HA CYS A 6 -16.217 -33.668 3.199 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -17.818 -33.620 5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -18.588 -34.233 3.617 1.00 0.00 H new ATOM 0 HG CYS A 6 -17.309 -36.284 6.078 1.00 0.00 H new ATOM 87 N VAL A 7 -14.145 -34.918 4.350 1.00 0.00 N ATOM 88 CA VAL A 7 -13.038 -35.223 5.304 1.00 0.00 C ATOM 89 C VAL A 7 -12.529 -33.930 5.945 1.00 0.00 C ATOM 90 O VAL A 7 -12.101 -33.010 5.276 1.00 0.00 O ATOM 91 CB VAL A 7 -11.890 -35.923 4.558 1.00 0.00 C ATOM 92 CG1 VAL A 7 -12.236 -37.401 4.368 1.00 0.00 C ATOM 93 CG2 VAL A 7 -11.684 -35.273 3.184 1.00 0.00 C ATOM 0 H VAL A 7 -13.847 -34.719 3.395 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.413 -35.882 6.087 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.975 -35.828 5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.424 -37.900 3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.377 -37.870 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -13.154 -37.488 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.869 -35.775 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.599 -35.362 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.437 -34.219 3.313 1.00 0.00 H new ATOM 103 N GLU A 8 -12.567 -33.872 7.250 1.00 0.00 N ATOM 104 CA GLU A 8 -12.082 -32.665 7.980 1.00 0.00 C ATOM 105 C GLU A 8 -10.624 -32.893 8.393 1.00 0.00 C ATOM 106 O GLU A 8 -9.957 -32.009 8.893 1.00 0.00 O ATOM 107 CB GLU A 8 -12.943 -32.460 9.234 1.00 0.00 C ATOM 108 CG GLU A 8 -12.914 -33.729 10.097 1.00 0.00 C ATOM 109 CD GLU A 8 -13.788 -33.523 11.338 1.00 0.00 C ATOM 110 OE1 GLU A 8 -13.831 -32.408 11.829 1.00 0.00 O ATOM 111 OE2 GLU A 8 -14.399 -34.486 11.776 1.00 0.00 O ATOM 0 H GLU A 8 -12.918 -34.620 7.848 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.152 -31.784 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.571 -31.611 9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.969 -32.227 8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.276 -34.581 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.890 -33.956 10.394 1.00 0.00 H new ATOM 118 N ASN A 9 -10.134 -34.087 8.194 1.00 0.00 N ATOM 119 CA ASN A 9 -8.728 -34.405 8.588 1.00 0.00 C ATOM 120 C ASN A 9 -7.733 -33.696 7.662 1.00 0.00 C ATOM 121 O ASN A 9 -7.992 -33.478 6.493 1.00 0.00 O ATOM 122 CB ASN A 9 -8.504 -35.919 8.499 1.00 0.00 C ATOM 123 CG ASN A 9 -9.351 -36.632 9.556 1.00 0.00 C ATOM 124 OD1 ASN A 9 -9.838 -35.953 10.559 1.00 0.00 O flip ATOM 125 ND2 ASN A 9 -9.574 -37.825 9.467 1.00 0.00 N flip ATOM 0 H ASN A 9 -10.649 -34.861 7.773 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.567 -34.060 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.770 -36.277 7.505 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.449 -36.149 8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.195 -38.358 8.684 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.140 -38.292 10.175 1.00 0.00 H new ATOM 132 N GLU A 10 -6.588 -33.338 8.186 1.00 0.00 N ATOM 133 CA GLU A 10 -5.559 -32.649 7.354 1.00 0.00 C ATOM 134 C GLU A 10 -4.173 -32.859 7.975 1.00 0.00 C ATOM 135 O GLU A 10 -3.883 -32.393 9.061 1.00 0.00 O ATOM 136 CB GLU A 10 -5.870 -31.150 7.275 1.00 0.00 C ATOM 137 CG GLU A 10 -4.896 -30.467 6.304 1.00 0.00 C ATOM 138 CD GLU A 10 -5.172 -30.936 4.872 1.00 0.00 C ATOM 139 OE1 GLU A 10 -6.172 -31.605 4.668 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.382 -30.611 4.003 1.00 0.00 O ATOM 0 H GLU A 10 -6.322 -33.495 9.158 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.572 -33.068 6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.896 -30.999 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.788 -30.700 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.004 -29.384 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.868 -30.702 6.581 1.00 0.00 H new ATOM 147 N VAL A 11 -3.320 -33.563 7.279 1.00 0.00 N ATOM 148 CA VAL A 11 -1.944 -33.830 7.793 1.00 0.00 C ATOM 149 C VAL A 11 -1.105 -32.555 7.734 1.00 0.00 C ATOM 150 O VAL A 11 -1.125 -31.822 6.761 1.00 0.00 O ATOM 151 CB VAL A 11 -1.281 -34.913 6.937 1.00 0.00 C ATOM 152 CG1 VAL A 11 -1.094 -34.407 5.502 1.00 0.00 C ATOM 153 CG2 VAL A 11 0.084 -35.269 7.529 1.00 0.00 C ATOM 0 H VAL A 11 -3.520 -33.969 6.365 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.011 -34.167 8.828 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.919 -35.796 6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.622 -35.184 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.065 -34.158 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.462 -33.519 5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.555 -36.040 6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.717 -34.381 7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.046 -35.640 8.546 1.00 0.00 H new ATOM 163 N CYS A 12 -0.365 -32.284 8.773 1.00 0.00 N ATOM 164 CA CYS A 12 0.485 -31.061 8.798 1.00 0.00 C ATOM 165 C CYS A 12 1.723 -31.320 9.656 1.00 0.00 C ATOM 166 O CYS A 12 1.799 -32.293 10.382 1.00 0.00 O ATOM 167 CB CYS A 12 -0.305 -29.895 9.390 1.00 0.00 C ATOM 168 SG CYS A 12 0.712 -28.399 9.345 1.00 0.00 S ATOM 0 H CYS A 12 -0.312 -32.862 9.612 1.00 0.00 H new ATOM 0 HA CYS A 12 0.788 -30.813 7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.225 -29.740 8.826 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.595 -30.121 10.416 1.00 0.00 H new ATOM 0 HG CYS A 12 0.283 -27.555 10.236 1.00 0.00 H new ATOM 174 N GLU A 13 2.695 -30.455 9.573 1.00 0.00 N ATOM 175 CA GLU A 13 3.937 -30.641 10.377 1.00 0.00 C ATOM 176 C GLU A 13 4.551 -29.271 10.681 1.00 0.00 C ATOM 177 O GLU A 13 5.622 -28.934 10.209 1.00 0.00 O ATOM 178 CB GLU A 13 4.926 -31.495 9.580 1.00 0.00 C ATOM 179 CG GLU A 13 6.107 -31.875 10.472 1.00 0.00 C ATOM 180 CD GLU A 13 5.644 -32.893 11.517 1.00 0.00 C ATOM 181 OE1 GLU A 13 4.512 -33.340 11.421 1.00 0.00 O ATOM 182 OE2 GLU A 13 6.430 -33.211 12.394 1.00 0.00 O ATOM 0 H GLU A 13 2.683 -29.624 8.981 1.00 0.00 H new ATOM 0 HA GLU A 13 3.704 -31.144 11.316 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.432 -32.394 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.278 -30.944 8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.912 -32.296 9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.507 -30.988 10.964 1.00 0.00 H new ATOM 189 N ALA A 14 3.867 -28.482 11.472 1.00 0.00 N ATOM 190 CA ALA A 14 4.373 -27.122 11.829 1.00 0.00 C ATOM 191 C ALA A 14 4.916 -26.421 10.583 1.00 0.00 C ATOM 192 O ALA A 14 5.633 -25.441 10.663 1.00 0.00 O ATOM 193 CB ALA A 14 5.478 -27.252 12.881 1.00 0.00 C ATOM 0 H ALA A 14 2.969 -28.726 11.890 1.00 0.00 H new ATOM 0 HA ALA A 14 3.555 -26.527 12.235 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.849 -26.261 13.143 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.078 -27.737 13.771 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.295 -27.851 12.478 1.00 0.00 H new ATOM 199 N CYS A 15 4.577 -26.919 9.425 1.00 0.00 N ATOM 200 CA CYS A 15 5.065 -26.295 8.163 1.00 0.00 C ATOM 201 C CYS A 15 3.990 -26.396 7.077 1.00 0.00 C ATOM 202 O CYS A 15 3.347 -27.416 6.910 1.00 0.00 O ATOM 203 CB CYS A 15 6.330 -27.014 7.694 1.00 0.00 C ATOM 204 SG CYS A 15 7.217 -25.960 6.520 1.00 0.00 S ATOM 0 H CYS A 15 3.980 -27.736 9.299 1.00 0.00 H new ATOM 0 HA CYS A 15 5.287 -25.244 8.349 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.968 -27.245 8.547 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.070 -27.963 7.224 1.00 0.00 H new ATOM 0 HG CYS A 15 8.295 -26.567 6.120 1.00 0.00 H new ATOM 210 N GLY A 16 3.798 -25.336 6.343 1.00 0.00 N ATOM 211 CA GLY A 16 2.772 -25.339 5.260 1.00 0.00 C ATOM 212 C GLY A 16 1.377 -25.209 5.876 1.00 0.00 C ATOM 213 O GLY A 16 0.381 -25.559 5.272 1.00 0.00 O ATOM 0 H GLY A 16 4.311 -24.461 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.954 -24.515 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.841 -26.260 4.682 1.00 0.00 H new ATOM 217 N CYS A 17 1.301 -24.707 7.075 1.00 0.00 N ATOM 218 CA CYS A 17 -0.025 -24.548 7.738 1.00 0.00 C ATOM 219 C CYS A 17 -0.873 -23.540 6.953 1.00 0.00 C ATOM 220 O CYS A 17 -2.063 -23.716 6.771 1.00 0.00 O ATOM 221 CB CYS A 17 0.188 -24.033 9.166 1.00 0.00 C ATOM 222 SG CYS A 17 1.045 -25.292 10.143 1.00 0.00 S ATOM 0 H CYS A 17 2.101 -24.399 7.627 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.540 -25.508 7.765 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.771 -23.112 9.148 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.772 -23.793 9.624 1.00 0.00 H new ATOM 0 HG CYS A 17 1.159 -26.381 9.443 1.00 0.00 H new ATOM 228 N ALA A 18 -0.267 -22.481 6.489 1.00 0.00 N ATOM 229 CA ALA A 18 -1.029 -21.453 5.719 1.00 0.00 C ATOM 230 C ALA A 18 -1.414 -21.992 4.339 1.00 0.00 C ATOM 231 O ALA A 18 -0.665 -22.708 3.701 1.00 0.00 O ATOM 232 CB ALA A 18 -0.170 -20.199 5.550 1.00 0.00 C ATOM 0 H ALA A 18 0.726 -22.282 6.610 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.938 -21.209 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.727 -19.449 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.088 -19.800 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.742 -20.453 5.011 1.00 0.00 H new ATOM 238 N GLY A 19 -2.581 -21.639 3.875 1.00 0.00 N ATOM 239 CA GLY A 19 -3.044 -22.105 2.537 1.00 0.00 C ATOM 240 C GLY A 19 -4.517 -21.727 2.365 1.00 0.00 C ATOM 241 O GLY A 19 -5.325 -22.505 1.892 1.00 0.00 O ATOM 0 H GLY A 19 -3.241 -21.041 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.443 -21.649 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.919 -23.184 2.449 1.00 0.00 H new ATOM 245 N GLU A 20 -4.871 -20.531 2.758 1.00 0.00 N ATOM 246 CA GLU A 20 -6.290 -20.078 2.639 1.00 0.00 C ATOM 247 C GLU A 20 -6.720 -20.084 1.171 1.00 0.00 C ATOM 248 O GLU A 20 -5.931 -19.849 0.275 1.00 0.00 O ATOM 249 CB GLU A 20 -6.435 -18.660 3.205 1.00 0.00 C ATOM 250 CG GLU A 20 -5.374 -17.732 2.594 1.00 0.00 C ATOM 251 CD GLU A 20 -4.029 -17.928 3.301 1.00 0.00 C ATOM 252 OE1 GLU A 20 -4.039 -18.166 4.498 1.00 0.00 O ATOM 253 OE2 GLU A 20 -3.012 -17.837 2.632 1.00 0.00 O ATOM 0 H GLU A 20 -4.233 -19.843 3.159 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.925 -20.761 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.432 -18.275 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.329 -18.681 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.267 -17.941 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.693 -16.694 2.685 1.00 0.00 H new ATOM 260 N ILE A 21 -7.974 -20.361 0.919 1.00 0.00 N ATOM 261 CA ILE A 21 -8.474 -20.402 -0.487 1.00 0.00 C ATOM 262 C ILE A 21 -9.139 -19.075 -0.854 1.00 0.00 C ATOM 263 O ILE A 21 -10.035 -18.598 -0.182 1.00 0.00 O ATOM 264 CB ILE A 21 -9.482 -21.547 -0.633 1.00 0.00 C ATOM 265 CG1 ILE A 21 -8.794 -22.899 -0.308 1.00 0.00 C ATOM 266 CG2 ILE A 21 -10.015 -21.564 -2.071 1.00 0.00 C ATOM 267 CD1 ILE A 21 -8.992 -23.258 1.169 1.00 0.00 C ATOM 0 H ILE A 21 -8.676 -20.561 1.631 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.633 -20.567 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.309 -21.398 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.208 -23.686 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.730 -22.836 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.733 -22.376 -2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.504 -20.615 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.187 -21.713 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.503 -24.209 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.556 -22.479 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.057 -23.342 1.383 1.00 0.00 H new ATOM 279 N GLY A 22 -8.698 -18.482 -1.929 1.00 0.00 N ATOM 280 CA GLY A 22 -9.281 -17.188 -2.371 1.00 0.00 C ATOM 281 C GLY A 22 -8.417 -16.587 -3.484 1.00 0.00 C ATOM 282 O GLY A 22 -8.327 -17.122 -4.574 1.00 0.00 O ATOM 0 H GLY A 22 -7.952 -18.843 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.299 -17.340 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.339 -16.498 -1.529 1.00 0.00 H new ATOM 286 N PHE A 23 -7.787 -15.472 -3.218 1.00 0.00 N ATOM 287 CA PHE A 23 -6.929 -14.810 -4.252 1.00 0.00 C ATOM 288 C PHE A 23 -5.449 -15.099 -3.983 1.00 0.00 C ATOM 289 O PHE A 23 -5.026 -15.263 -2.853 1.00 0.00 O ATOM 290 CB PHE A 23 -7.177 -13.300 -4.208 1.00 0.00 C ATOM 291 CG PHE A 23 -8.582 -13.015 -4.686 1.00 0.00 C ATOM 292 CD1 PHE A 23 -8.843 -12.902 -6.056 1.00 0.00 C ATOM 293 CD2 PHE A 23 -9.625 -12.872 -3.760 1.00 0.00 C ATOM 294 CE1 PHE A 23 -10.144 -12.646 -6.503 1.00 0.00 C ATOM 295 CE2 PHE A 23 -10.927 -12.615 -4.208 1.00 0.00 C ATOM 296 CZ PHE A 23 -11.187 -12.503 -5.580 1.00 0.00 C ATOM 0 H PHE A 23 -7.829 -14.986 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.184 -15.202 -5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.042 -12.926 -3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.453 -12.782 -4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.040 -13.012 -6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.425 -12.960 -2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.344 -12.559 -7.561 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.731 -12.503 -3.495 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.191 -12.307 -5.925 1.00 0.00 H new ATOM 306 N ILE A 24 -4.660 -15.164 -5.022 1.00 0.00 N ATOM 307 CA ILE A 24 -3.208 -15.446 -4.852 1.00 0.00 C ATOM 308 C ILE A 24 -2.451 -15.037 -6.120 1.00 0.00 C ATOM 309 O ILE A 24 -2.722 -15.515 -7.205 1.00 0.00 O ATOM 310 CB ILE A 24 -2.993 -16.938 -4.579 1.00 0.00 C ATOM 311 CG1 ILE A 24 -1.506 -17.187 -4.302 1.00 0.00 C ATOM 312 CG2 ILE A 24 -3.441 -17.767 -5.792 1.00 0.00 C ATOM 313 CD1 ILE A 24 -1.314 -18.589 -3.719 1.00 0.00 C ATOM 0 H ILE A 24 -4.963 -15.033 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.830 -14.872 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.584 -17.237 -3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.933 -17.085 -5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.126 -16.439 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.284 -18.826 -5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.499 -17.588 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.859 -17.476 -6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.255 -18.760 -3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.873 -18.675 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.677 -19.331 -4.430 1.00 0.00 H new ATOM 325 N ILE A 25 -1.507 -14.145 -5.982 1.00 0.00 N ATOM 326 CA ILE A 25 -0.717 -13.682 -7.159 1.00 0.00 C ATOM 327 C ILE A 25 0.420 -14.669 -7.439 1.00 0.00 C ATOM 328 O ILE A 25 0.370 -15.449 -8.371 1.00 0.00 O ATOM 329 CB ILE A 25 -0.124 -12.304 -6.847 1.00 0.00 C ATOM 330 CG1 ILE A 25 -1.260 -11.296 -6.645 1.00 0.00 C ATOM 331 CG2 ILE A 25 0.766 -11.849 -8.006 1.00 0.00 C ATOM 332 CD1 ILE A 25 -0.708 -9.999 -6.047 1.00 0.00 C ATOM 0 H ILE A 25 -1.247 -13.713 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.365 -13.622 -8.034 1.00 0.00 H new ATOM 0 HB ILE A 25 0.475 -12.365 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.747 -11.089 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.018 -11.717 -5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.185 -10.869 -7.780 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.575 -12.566 -8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.172 -11.788 -8.918 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.522 -9.288 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.242 -10.211 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.033 -9.573 -6.723 1.00 0.00 H new ATOM 344 N ARG A 26 1.451 -14.635 -6.641 1.00 0.00 N ATOM 345 CA ARG A 26 2.601 -15.560 -6.856 1.00 0.00 C ATOM 346 C ARG A 26 3.348 -15.752 -5.532 1.00 0.00 C ATOM 347 O ARG A 26 4.102 -16.690 -5.359 1.00 0.00 O ATOM 348 CB ARG A 26 3.537 -14.956 -7.906 1.00 0.00 C ATOM 349 CG ARG A 26 4.685 -15.923 -8.202 1.00 0.00 C ATOM 350 CD ARG A 26 5.572 -15.338 -9.305 1.00 0.00 C ATOM 351 NE ARG A 26 6.606 -16.339 -9.693 1.00 0.00 N ATOM 352 CZ ARG A 26 7.493 -16.056 -10.611 1.00 0.00 C ATOM 353 NH1 ARG A 26 7.480 -14.893 -11.208 1.00 0.00 N ATOM 354 NH2 ARG A 26 8.395 -16.940 -10.935 1.00 0.00 N ATOM 0 H ARG A 26 1.548 -14.004 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 26 2.244 -16.528 -7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.983 -14.745 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.934 -14.006 -7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.273 -16.094 -7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.289 -16.890 -8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.966 -15.071 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.049 -14.423 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 26 6.622 -17.252 -9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.775 -14.200 -10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.175 -14.679 -11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.407 -17.849 -10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.088 -16.722 -11.651 1.00 0.00 H new ATOM 368 N GLU A 27 3.129 -14.864 -4.595 1.00 0.00 N ATOM 369 CA GLU A 27 3.803 -14.967 -3.263 1.00 0.00 C ATOM 370 C GLU A 27 5.323 -15.016 -3.436 1.00 0.00 C ATOM 371 O GLU A 27 5.832 -15.345 -4.491 1.00 0.00 O ATOM 372 CB GLU A 27 3.340 -16.236 -2.532 1.00 0.00 C ATOM 373 CG GLU A 27 1.865 -16.100 -2.157 1.00 0.00 C ATOM 374 CD GLU A 27 1.381 -17.396 -1.506 1.00 0.00 C ATOM 375 OE1 GLU A 27 2.183 -18.307 -1.378 1.00 0.00 O ATOM 376 OE2 GLU A 27 0.217 -17.456 -1.143 1.00 0.00 O ATOM 0 H GLU A 27 2.505 -14.063 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 27 3.535 -14.089 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.485 -17.109 -3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.941 -16.392 -1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.729 -15.264 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.272 -15.884 -3.045 1.00 0.00 H new ATOM 383 N GLY A 28 6.050 -14.693 -2.393 1.00 0.00 N ATOM 384 CA GLY A 28 7.546 -14.725 -2.456 1.00 0.00 C ATOM 385 C GLY A 28 8.130 -13.327 -2.237 1.00 0.00 C ATOM 386 O GLY A 28 7.443 -12.395 -1.864 1.00 0.00 O ATOM 0 H GLY A 28 5.667 -14.406 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.932 -15.408 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.865 -15.110 -3.425 1.00 0.00 H new ATOM 390 N ASP A 29 9.409 -13.189 -2.476 1.00 0.00 N ATOM 391 CA ASP A 29 10.086 -11.870 -2.304 1.00 0.00 C ATOM 392 C ASP A 29 9.616 -10.923 -3.410 1.00 0.00 C ATOM 393 O ASP A 29 9.766 -9.718 -3.327 1.00 0.00 O ATOM 394 CB ASP A 29 11.600 -12.062 -2.408 1.00 0.00 C ATOM 395 CG ASP A 29 12.123 -12.772 -1.157 1.00 0.00 C ATOM 396 OD1 ASP A 29 11.382 -12.852 -0.192 1.00 0.00 O ATOM 397 OD2 ASP A 29 13.257 -13.223 -1.185 1.00 0.00 O ATOM 0 H ASP A 29 10.020 -13.944 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 29 9.840 -11.450 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.841 -12.647 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.091 -11.095 -2.520 1.00 0.00 H new ATOM 402 N ASP A 30 9.037 -11.466 -4.447 1.00 0.00 N ATOM 403 CA ASP A 30 8.539 -10.616 -5.563 1.00 0.00 C ATOM 404 C ASP A 30 7.158 -10.082 -5.184 1.00 0.00 C ATOM 405 O ASP A 30 6.530 -9.351 -5.927 1.00 0.00 O ATOM 406 CB ASP A 30 8.437 -11.459 -6.839 1.00 0.00 C ATOM 407 CG ASP A 30 9.837 -11.876 -7.296 1.00 0.00 C ATOM 408 OD1 ASP A 30 10.781 -11.187 -6.951 1.00 0.00 O ATOM 409 OD2 ASP A 30 9.942 -12.881 -7.982 1.00 0.00 O ATOM 0 H ASP A 30 8.887 -12.468 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 30 9.223 -9.786 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.826 -12.343 -6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.943 -10.888 -7.625 1.00 0.00 H new ATOM 414 N VAL A 31 6.684 -10.446 -4.016 1.00 0.00 N ATOM 415 CA VAL A 31 5.343 -9.978 -3.543 1.00 0.00 C ATOM 416 C VAL A 31 5.494 -9.340 -2.166 1.00 0.00 C ATOM 417 O VAL A 31 6.174 -9.857 -1.300 1.00 0.00 O ATOM 418 CB VAL A 31 4.375 -11.162 -3.468 1.00 0.00 C ATOM 419 CG1 VAL A 31 3.097 -10.744 -2.729 1.00 0.00 C ATOM 420 CG2 VAL A 31 4.017 -11.602 -4.890 1.00 0.00 C ATOM 0 H VAL A 31 7.176 -11.055 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 31 4.944 -9.244 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 31 4.846 -11.984 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.412 -11.591 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.350 -10.421 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.620 -9.923 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.328 -12.445 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.545 -10.774 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.923 -11.900 -5.417 1.00 0.00 H new ATOM 430 N ALA A 32 4.866 -8.208 -1.966 1.00 0.00 N ATOM 431 CA ALA A 32 4.964 -7.499 -0.654 1.00 0.00 C ATOM 432 C ALA A 32 3.613 -7.526 0.053 1.00 0.00 C ATOM 433 O ALA A 32 2.572 -7.661 -0.564 1.00 0.00 O ATOM 434 CB ALA A 32 5.379 -6.048 -0.901 1.00 0.00 C ATOM 0 H ALA A 32 4.285 -7.741 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 32 5.704 -7.996 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.453 -5.523 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.346 -6.027 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.634 -5.558 -1.528 1.00 0.00 H new ATOM 440 N GLU A 33 3.628 -7.403 1.355 1.00 0.00 N ATOM 441 CA GLU A 33 2.360 -7.426 2.145 1.00 0.00 C ATOM 442 C GLU A 33 2.042 -6.020 2.644 1.00 0.00 C ATOM 443 O GLU A 33 2.832 -5.394 3.328 1.00 0.00 O ATOM 444 CB GLU A 33 2.531 -8.361 3.344 1.00 0.00 C ATOM 445 CG GLU A 33 1.215 -8.441 4.122 1.00 0.00 C ATOM 446 CD GLU A 33 1.364 -9.413 5.294 1.00 0.00 C ATOM 447 OE1 GLU A 33 2.487 -9.785 5.592 1.00 0.00 O ATOM 448 OE2 GLU A 33 0.351 -9.767 5.874 1.00 0.00 O ATOM 0 H GLU A 33 4.475 -7.286 1.911 1.00 0.00 H new ATOM 0 HA GLU A 33 1.545 -7.780 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.826 -9.354 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.327 -7.996 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.939 -7.453 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.412 -8.772 3.463 1.00 0.00 H new ATOM 455 N VAL A 34 0.881 -5.520 2.305 1.00 0.00 N ATOM 456 CA VAL A 34 0.475 -4.153 2.749 1.00 0.00 C ATOM 457 C VAL A 34 -0.894 -4.223 3.422 1.00 0.00 C ATOM 458 O VAL A 34 -1.824 -4.825 2.918 1.00 0.00 O ATOM 459 CB VAL A 34 0.405 -3.218 1.539 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.251 -1.893 1.949 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.824 -2.949 1.028 1.00 0.00 C ATOM 0 H VAL A 34 0.190 -6.006 1.733 1.00 0.00 H new ATOM 0 HA VAL A 34 1.209 -3.769 3.458 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.187 -3.684 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.300 -1.229 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.259 -2.085 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.339 -1.423 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.780 -2.283 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.413 -2.482 1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.290 -3.890 0.736 1.00 0.00 H new ATOM 471 N SER A 35 -1.018 -3.600 4.559 1.00 0.00 N ATOM 472 CA SER A 35 -2.317 -3.603 5.288 1.00 0.00 C ATOM 473 C SER A 35 -2.459 -2.297 6.062 1.00 0.00 C ATOM 474 O SER A 35 -1.504 -1.786 6.620 1.00 0.00 O ATOM 475 CB SER A 35 -2.362 -4.775 6.264 1.00 0.00 C ATOM 476 OG SER A 35 -3.567 -4.709 7.015 1.00 0.00 O ATOM 0 H SER A 35 -0.268 -3.084 5.019 1.00 0.00 H new ATOM 0 HA SER A 35 -3.133 -3.701 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.309 -5.719 5.721 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.501 -4.742 6.931 1.00 0.00 H new ATOM 0 HG SER A 35 -4.248 -4.229 6.499 1.00 0.00 H new ATOM 482 N LEU A 36 -3.645 -1.749 6.095 1.00 0.00 N ATOM 483 CA LEU A 36 -3.875 -0.465 6.824 1.00 0.00 C ATOM 484 C LEU A 36 -5.087 -0.596 7.736 1.00 0.00 C ATOM 485 O LEU A 36 -6.006 -1.351 7.476 1.00 0.00 O ATOM 486 CB LEU A 36 -4.116 0.660 5.819 1.00 0.00 C ATOM 487 CG LEU A 36 -2.851 0.871 4.952 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.963 0.070 3.650 1.00 0.00 C ATOM 489 CD2 LEU A 36 -2.695 2.358 4.620 1.00 0.00 C ATOM 0 H LEU A 36 -4.472 -2.139 5.644 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.995 -0.235 7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.967 0.415 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.365 1.582 6.345 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.981 0.527 5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.068 0.226 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.063 -0.990 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.838 0.403 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.804 2.503 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.571 2.702 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.599 2.929 5.544 1.00 0.00 H new ATOM 501 N PHE A 37 -5.086 0.142 8.808 1.00 0.00 N ATOM 502 CA PHE A 37 -6.218 0.088 9.771 1.00 0.00 C ATOM 503 C PHE A 37 -6.475 1.478 10.338 1.00 0.00 C ATOM 504 O PHE A 37 -5.624 2.346 10.305 1.00 0.00 O ATOM 505 CB PHE A 37 -5.872 -0.870 10.915 1.00 0.00 C ATOM 506 CG PHE A 37 -4.535 -0.489 11.512 1.00 0.00 C ATOM 507 CD1 PHE A 37 -4.454 0.531 12.469 1.00 0.00 C ATOM 508 CD2 PHE A 37 -3.374 -1.159 11.105 1.00 0.00 C ATOM 509 CE1 PHE A 37 -3.212 0.879 13.018 1.00 0.00 C ATOM 510 CE2 PHE A 37 -2.133 -0.810 11.654 1.00 0.00 C ATOM 511 CZ PHE A 37 -2.054 0.208 12.611 1.00 0.00 C ATOM 0 H PHE A 37 -4.339 0.789 9.061 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.111 -0.265 9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.647 -0.833 11.681 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.838 -1.895 10.546 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.348 1.049 12.784 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.436 -1.945 10.367 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.149 1.665 13.755 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.238 -1.326 11.339 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.098 0.476 13.036 1.00 0.00 H new ATOM 521 N GLY A 38 -7.653 1.686 10.862 1.00 0.00 N ATOM 522 CA GLY A 38 -8.010 3.009 11.455 1.00 0.00 C ATOM 523 C GLY A 38 -9.120 3.673 10.639 1.00 0.00 C ATOM 524 O GLY A 38 -9.269 3.447 9.454 1.00 0.00 O ATOM 0 H GLY A 38 -8.394 0.986 10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.337 2.877 12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.131 3.654 11.479 1.00 0.00 H new ATOM 528 N SER A 39 -9.890 4.504 11.283 1.00 0.00 N ATOM 529 CA SER A 39 -11.001 5.218 10.591 1.00 0.00 C ATOM 530 C SER A 39 -11.904 4.232 9.849 1.00 0.00 C ATOM 531 O SER A 39 -11.818 3.029 10.013 1.00 0.00 O ATOM 532 CB SER A 39 -10.423 6.224 9.596 1.00 0.00 C ATOM 533 OG SER A 39 -11.466 6.715 8.761 1.00 0.00 O ATOM 0 H SER A 39 -9.796 4.723 12.275 1.00 0.00 H new ATOM 0 HA SER A 39 -11.596 5.738 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.950 7.049 10.129 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.650 5.751 8.991 1.00 0.00 H new ATOM 0 HG SER A 39 -12.054 7.300 9.282 1.00 0.00 H new ATOM 539 N ASP A 40 -12.780 4.750 9.031 1.00 0.00 N ATOM 540 CA ASP A 40 -13.712 3.882 8.267 1.00 0.00 C ATOM 541 C ASP A 40 -13.047 3.401 6.977 1.00 0.00 C ATOM 542 O ASP A 40 -11.916 3.738 6.677 1.00 0.00 O ATOM 543 CB ASP A 40 -14.981 4.671 7.932 1.00 0.00 C ATOM 544 CG ASP A 40 -14.631 5.876 7.053 1.00 0.00 C ATOM 545 OD1 ASP A 40 -13.453 6.102 6.828 1.00 0.00 O ATOM 546 OD2 ASP A 40 -15.549 6.557 6.625 1.00 0.00 O ATOM 0 H ASP A 40 -12.888 5.750 8.860 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.971 3.014 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.693 4.028 7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.463 5.008 8.850 1.00 0.00 H new ATOM 551 N LYS A 41 -13.747 2.602 6.222 1.00 0.00 N ATOM 552 CA LYS A 41 -13.182 2.072 4.949 1.00 0.00 C ATOM 553 C LYS A 41 -12.884 3.222 3.979 1.00 0.00 C ATOM 554 O LYS A 41 -11.893 3.215 3.273 1.00 0.00 O ATOM 555 CB LYS A 41 -14.204 1.129 4.311 1.00 0.00 C ATOM 556 CG LYS A 41 -13.587 0.470 3.078 1.00 0.00 C ATOM 557 CD LYS A 41 -14.576 -0.528 2.469 1.00 0.00 C ATOM 558 CE LYS A 41 -13.938 -1.195 1.250 1.00 0.00 C ATOM 559 NZ LYS A 41 -14.884 -2.191 0.673 1.00 0.00 N ATOM 0 H LYS A 41 -14.695 2.290 6.434 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.255 1.540 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.510 0.368 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.100 1.682 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.325 1.230 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.664 -0.041 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.851 -1.281 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.494 -0.016 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.685 -0.443 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.008 -1.685 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.516 -2.532 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.986 -2.993 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.812 -1.744 0.526 1.00 0.00 H new ATOM 573 N ALA A 42 -13.740 4.205 3.935 1.00 0.00 N ATOM 574 CA ALA A 42 -13.524 5.354 3.006 1.00 0.00 C ATOM 575 C ALA A 42 -12.126 5.944 3.225 1.00 0.00 C ATOM 576 O ALA A 42 -11.424 6.278 2.289 1.00 0.00 O ATOM 577 CB ALA A 42 -14.574 6.429 3.295 1.00 0.00 C ATOM 0 H ALA A 42 -14.584 4.264 4.504 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.612 5.010 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.425 7.273 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.571 6.015 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.475 6.766 4.327 1.00 0.00 H new ATOM 583 N HIS A 43 -11.718 6.072 4.454 1.00 0.00 N ATOM 584 CA HIS A 43 -10.363 6.629 4.743 1.00 0.00 C ATOM 585 C HIS A 43 -9.291 5.654 4.240 1.00 0.00 C ATOM 586 O HIS A 43 -8.287 6.049 3.677 1.00 0.00 O ATOM 587 CB HIS A 43 -10.214 6.827 6.253 1.00 0.00 C ATOM 588 CG HIS A 43 -8.853 7.391 6.560 1.00 0.00 C ATOM 589 ND1 HIS A 43 -8.512 8.704 6.272 1.00 0.00 N ATOM 590 CD2 HIS A 43 -7.737 6.832 7.132 1.00 0.00 C ATOM 591 CE1 HIS A 43 -7.238 8.887 6.665 1.00 0.00 C ATOM 592 NE2 HIS A 43 -6.718 7.778 7.197 1.00 0.00 N ATOM 0 H HIS A 43 -12.264 5.815 5.276 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.242 7.586 4.236 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.988 7.501 6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.349 5.876 6.769 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.117 9.403 5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -7.661 5.812 7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.701 9.818 6.563 1.00 0.00 H new ATOM 600 N LEU A 44 -9.499 4.380 4.444 1.00 0.00 N ATOM 601 CA LEU A 44 -8.502 3.366 3.984 1.00 0.00 C ATOM 602 C LEU A 44 -8.397 3.419 2.458 1.00 0.00 C ATOM 603 O LEU A 44 -7.328 3.311 1.888 1.00 0.00 O ATOM 604 CB LEU A 44 -8.961 1.964 4.404 1.00 0.00 C ATOM 605 CG LEU A 44 -9.003 1.850 5.936 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.563 0.477 6.335 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.589 2.023 6.525 1.00 0.00 C ATOM 0 H LEU A 44 -10.320 3.995 4.911 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.533 3.583 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.948 1.759 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.283 1.215 3.996 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.647 2.636 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.592 0.398 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.571 0.365 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.924 -0.308 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.634 1.940 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.933 1.248 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.199 3.004 6.252 1.00 0.00 H new ATOM 619 N GLU A 45 -9.508 3.579 1.795 1.00 0.00 N ATOM 620 CA GLU A 45 -9.498 3.640 0.303 1.00 0.00 C ATOM 621 C GLU A 45 -8.656 4.833 -0.160 1.00 0.00 C ATOM 622 O GLU A 45 -7.923 4.755 -1.128 1.00 0.00 O ATOM 623 CB GLU A 45 -10.936 3.811 -0.201 1.00 0.00 C ATOM 624 CG GLU A 45 -11.724 2.527 0.057 1.00 0.00 C ATOM 625 CD GLU A 45 -13.186 2.721 -0.359 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.513 3.802 -0.821 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.952 1.784 -0.209 1.00 0.00 O ATOM 0 H GLU A 45 -10.429 3.671 2.223 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.070 2.720 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.412 4.650 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.934 4.041 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.284 1.701 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.669 2.262 1.113 1.00 0.00 H new ATOM 634 N GLY A 46 -8.758 5.936 0.528 1.00 0.00 N ATOM 635 CA GLY A 46 -7.968 7.140 0.138 1.00 0.00 C ATOM 636 C GLY A 46 -6.473 6.822 0.201 1.00 0.00 C ATOM 637 O GLY A 46 -5.724 7.087 -0.723 1.00 0.00 O ATOM 0 H GLY A 46 -9.356 6.057 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.240 7.454 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.201 7.971 0.804 1.00 0.00 H new ATOM 641 N LYS A 47 -6.037 6.250 1.285 1.00 0.00 N ATOM 642 CA LYS A 47 -4.597 5.899 1.424 1.00 0.00 C ATOM 643 C LYS A 47 -4.234 4.817 0.409 1.00 0.00 C ATOM 644 O LYS A 47 -3.151 4.801 -0.145 1.00 0.00 O ATOM 645 CB LYS A 47 -4.336 5.378 2.839 1.00 0.00 C ATOM 646 CG LYS A 47 -4.528 6.519 3.840 1.00 0.00 C ATOM 647 CD LYS A 47 -4.322 6.008 5.276 1.00 0.00 C ATOM 648 CE LYS A 47 -2.825 5.928 5.598 1.00 0.00 C ATOM 649 NZ LYS A 47 -2.644 5.602 7.039 1.00 0.00 N ATOM 0 H LYS A 47 -6.619 6.008 2.087 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.988 6.785 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.017 4.559 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.323 4.981 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.822 7.321 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.528 6.939 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.818 6.674 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.779 5.025 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.349 5.167 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.341 6.876 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.629 5.548 7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.084 6.343 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.092 4.687 7.247 1.00 0.00 H new ATOM 663 N LEU A 48 -5.123 3.893 0.184 1.00 0.00 N ATOM 664 CA LEU A 48 -4.821 2.796 -0.773 1.00 0.00 C ATOM 665 C LEU A 48 -4.602 3.382 -2.176 1.00 0.00 C ATOM 666 O LEU A 48 -3.685 3.015 -2.886 1.00 0.00 O ATOM 667 CB LEU A 48 -5.997 1.800 -0.795 1.00 0.00 C ATOM 668 CG LEU A 48 -5.489 0.385 -1.129 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.708 0.416 -2.449 1.00 0.00 C ATOM 670 CD2 LEU A 48 -4.572 -0.130 0.011 1.00 0.00 C ATOM 0 H LEU A 48 -6.044 3.850 0.620 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.915 2.276 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.497 1.796 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.735 2.113 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.342 -0.287 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.350 -0.586 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.360 0.764 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.858 1.092 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.217 -1.131 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.720 0.540 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.134 -0.161 0.944 1.00 0.00 H new ATOM 682 N ALA A 49 -5.442 4.287 -2.580 1.00 0.00 N ATOM 683 CA ALA A 49 -5.289 4.888 -3.934 1.00 0.00 C ATOM 684 C ALA A 49 -3.948 5.622 -4.018 1.00 0.00 C ATOM 685 O ALA A 49 -3.242 5.541 -5.008 1.00 0.00 O ATOM 686 CB ALA A 49 -6.426 5.882 -4.172 1.00 0.00 C ATOM 0 H ALA A 49 -6.228 4.638 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.321 4.103 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.320 6.326 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.382 5.363 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.387 6.667 -3.416 1.00 0.00 H new ATOM 692 N GLU A 50 -3.590 6.333 -2.983 1.00 0.00 N ATOM 693 CA GLU A 50 -2.301 7.069 -2.985 1.00 0.00 C ATOM 694 C GLU A 50 -1.146 6.063 -2.923 1.00 0.00 C ATOM 695 O GLU A 50 -0.108 6.247 -3.531 1.00 0.00 O ATOM 696 CB GLU A 50 -2.253 7.983 -1.757 1.00 0.00 C ATOM 697 CG GLU A 50 -1.041 8.898 -1.865 1.00 0.00 C ATOM 698 CD GLU A 50 -1.045 9.910 -0.713 1.00 0.00 C ATOM 699 OE1 GLU A 50 -1.790 9.704 0.231 1.00 0.00 O ATOM 700 OE2 GLU A 50 -0.301 10.873 -0.797 1.00 0.00 O ATOM 0 H GLU A 50 -4.142 6.434 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.211 7.666 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.166 8.574 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.194 7.387 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.125 8.307 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.054 9.422 -2.821 1.00 0.00 H new ATOM 707 N TYR A 51 -1.328 5.001 -2.188 1.00 0.00 N ATOM 708 CA TYR A 51 -0.255 3.966 -2.069 1.00 0.00 C ATOM 709 C TYR A 51 0.025 3.364 -3.449 1.00 0.00 C ATOM 710 O TYR A 51 1.160 3.158 -3.835 1.00 0.00 O ATOM 711 CB TYR A 51 -0.732 2.857 -1.114 1.00 0.00 C ATOM 712 CG TYR A 51 -0.417 3.214 0.322 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.504 4.543 0.762 1.00 0.00 C ATOM 714 CD2 TYR A 51 -0.026 2.209 1.215 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.203 4.861 2.088 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.276 2.529 2.542 1.00 0.00 C ATOM 717 CZ TYR A 51 0.188 3.857 2.978 1.00 0.00 C ATOM 718 OH TYR A 51 0.489 4.176 4.285 1.00 0.00 O ATOM 0 H TYR A 51 -2.178 4.802 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 51 0.656 4.421 -1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.806 2.708 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.250 1.915 -1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.804 5.321 0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.042 1.185 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.272 5.884 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.577 1.753 3.230 1.00 0.00 H new ATOM 0 HH TYR A 51 1.377 4.590 4.325 1.00 0.00 H new ATOM 728 N ILE A 52 -1.008 3.074 -4.186 1.00 0.00 N ATOM 729 CA ILE A 52 -0.823 2.482 -5.542 1.00 0.00 C ATOM 730 C ILE A 52 -0.091 3.479 -6.446 1.00 0.00 C ATOM 731 O ILE A 52 0.795 3.122 -7.199 1.00 0.00 O ATOM 732 CB ILE A 52 -2.196 2.162 -6.150 1.00 0.00 C ATOM 733 CG1 ILE A 52 -2.858 1.019 -5.368 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.021 1.745 -7.615 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.356 0.972 -5.681 1.00 0.00 C ATOM 0 H ILE A 52 -1.978 3.221 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.235 1.568 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.829 3.048 -6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.393 0.069 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.706 1.163 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.995 1.518 -8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.558 2.559 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.385 0.861 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.819 0.158 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.817 1.917 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.500 0.807 -6.749 1.00 0.00 H new ATOM 747 N SER A 53 -0.471 4.724 -6.386 1.00 0.00 N ATOM 748 CA SER A 53 0.182 5.753 -7.248 1.00 0.00 C ATOM 749 C SER A 53 1.676 5.845 -6.922 1.00 0.00 C ATOM 750 O SER A 53 2.510 5.952 -7.801 1.00 0.00 O ATOM 751 CB SER A 53 -0.481 7.110 -6.998 1.00 0.00 C ATOM 752 OG SER A 53 -0.347 7.450 -5.623 1.00 0.00 O ATOM 0 H SER A 53 -1.208 5.077 -5.776 1.00 0.00 H new ATOM 0 HA SER A 53 0.067 5.471 -8.295 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.017 7.875 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.535 7.070 -7.274 1.00 0.00 H new ATOM 0 HG SER A 53 -0.261 6.632 -5.091 1.00 0.00 H new ATOM 758 N LEU A 54 2.019 5.804 -5.666 1.00 0.00 N ATOM 759 CA LEU A 54 3.460 5.885 -5.281 1.00 0.00 C ATOM 760 C LEU A 54 4.196 4.652 -5.806 1.00 0.00 C ATOM 761 O LEU A 54 5.295 4.736 -6.322 1.00 0.00 O ATOM 762 CB LEU A 54 3.567 5.930 -3.754 1.00 0.00 C ATOM 763 CG LEU A 54 2.990 7.254 -3.233 1.00 0.00 C ATOM 764 CD1 LEU A 54 2.881 7.202 -1.704 1.00 0.00 C ATOM 765 CD2 LEU A 54 3.889 8.436 -3.654 1.00 0.00 C ATOM 0 H LEU A 54 1.366 5.718 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 54 3.906 6.783 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.027 5.090 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.609 5.832 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 54 1.999 7.400 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.471 8.143 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.224 6.382 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.870 7.044 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.466 9.367 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.888 8.298 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.948 8.479 -4.742 1.00 0.00 H new ATOM 777 N ALA A 55 3.591 3.507 -5.677 1.00 0.00 N ATOM 778 CA ALA A 55 4.233 2.253 -6.165 1.00 0.00 C ATOM 779 C ALA A 55 4.327 2.286 -7.694 1.00 0.00 C ATOM 780 O ALA A 55 5.284 1.820 -8.283 1.00 0.00 O ATOM 781 CB ALA A 55 3.388 1.053 -5.731 1.00 0.00 C ATOM 0 H ALA A 55 2.672 3.383 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 55 5.235 2.168 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.853 0.133 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.321 1.030 -4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.388 1.140 -6.155 1.00 0.00 H new ATOM 787 N LYS A 56 3.329 2.830 -8.337 1.00 0.00 N ATOM 788 CA LYS A 56 3.338 2.897 -9.822 1.00 0.00 C ATOM 789 C LYS A 56 4.507 3.769 -10.289 1.00 0.00 C ATOM 790 O LYS A 56 5.218 3.434 -11.217 1.00 0.00 O ATOM 791 CB LYS A 56 2.024 3.517 -10.296 1.00 0.00 C ATOM 792 CG LYS A 56 1.966 3.458 -11.818 1.00 0.00 C ATOM 793 CD LYS A 56 0.637 4.039 -12.310 1.00 0.00 C ATOM 794 CE LYS A 56 0.593 3.987 -13.838 1.00 0.00 C ATOM 795 NZ LYS A 56 0.982 2.625 -14.304 1.00 0.00 N ATOM 0 H LYS A 56 2.504 3.233 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 56 3.448 1.895 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.178 2.980 -9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.952 4.550 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.798 4.018 -12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.069 2.427 -12.155 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.196 3.474 -11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.528 5.068 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.409 4.231 -14.191 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.269 4.732 -14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.552 2.440 -15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.017 2.568 -14.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.648 1.916 -13.621 1.00 0.00 H new ATOM 809 N GLN A 57 4.709 4.889 -9.649 1.00 0.00 N ATOM 810 CA GLN A 57 5.831 5.790 -10.046 1.00 0.00 C ATOM 811 C GLN A 57 7.166 5.097 -9.761 1.00 0.00 C ATOM 812 O GLN A 57 8.075 5.109 -10.570 1.00 0.00 O ATOM 813 CB GLN A 57 5.746 7.088 -9.234 1.00 0.00 C ATOM 814 CG GLN A 57 4.511 7.879 -9.668 1.00 0.00 C ATOM 815 CD GLN A 57 4.374 9.147 -8.820 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.332 9.869 -8.618 1.00 0.00 O ATOM 817 NE2 GLN A 57 3.208 9.455 -8.316 1.00 0.00 N ATOM 0 H GLN A 57 4.145 5.220 -8.867 1.00 0.00 H new ATOM 0 HA GLN A 57 5.761 6.017 -11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.690 6.861 -8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.645 7.685 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.591 8.144 -10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.618 7.262 -9.561 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.404 8.851 -8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.102 10.300 -7.754 1.00 0.00 H new ATOM 826 N VAL A 58 7.282 4.486 -8.615 1.00 0.00 N ATOM 827 CA VAL A 58 8.545 3.779 -8.261 1.00 0.00 C ATOM 828 C VAL A 58 8.752 2.599 -9.211 1.00 0.00 C ATOM 829 O VAL A 58 9.837 2.373 -9.713 1.00 0.00 O ATOM 830 CB VAL A 58 8.446 3.260 -6.825 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.669 2.401 -6.498 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.381 4.444 -5.860 1.00 0.00 C ATOM 0 H VAL A 58 6.552 4.446 -7.904 1.00 0.00 H new ATOM 0 HA VAL A 58 9.386 4.468 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 58 7.545 2.655 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.593 2.034 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.713 1.555 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.573 3.001 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.310 4.076 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.281 5.050 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.505 5.052 -6.088 1.00 0.00 H new ATOM 842 N TYR A 59 7.712 1.840 -9.452 1.00 0.00 N ATOM 843 CA TYR A 59 7.820 0.657 -10.363 1.00 0.00 C ATOM 844 C TYR A 59 6.771 0.764 -11.473 1.00 0.00 C ATOM 845 O TYR A 59 5.594 0.953 -11.226 1.00 0.00 O ATOM 846 CB TYR A 59 7.605 -0.625 -9.560 1.00 0.00 C ATOM 847 CG TYR A 59 7.729 -1.815 -10.482 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.990 -2.217 -10.935 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.586 -2.511 -10.888 1.00 0.00 C ATOM 850 CE1 TYR A 59 9.108 -3.316 -11.794 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.702 -3.610 -11.747 1.00 0.00 C ATOM 852 CZ TYR A 59 7.964 -4.012 -12.200 1.00 0.00 C ATOM 853 OH TYR A 59 8.081 -5.096 -13.048 1.00 0.00 O ATOM 0 H TYR A 59 6.785 1.990 -9.054 1.00 0.00 H new ATOM 0 HA TYR A 59 8.812 0.634 -10.815 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.340 -0.693 -8.758 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.621 -0.614 -9.091 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.873 -1.679 -10.622 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.613 -2.200 -10.538 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.082 -3.627 -12.143 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.819 -4.147 -12.060 1.00 0.00 H new ATOM 0 HH TYR A 59 7.192 -5.466 -13.230 1.00 0.00 H new ATOM 863 N ALA A 60 7.207 0.653 -12.697 1.00 0.00 N ATOM 864 CA ALA A 60 6.279 0.759 -13.858 1.00 0.00 C ATOM 865 C ALA A 60 5.292 -0.413 -13.876 1.00 0.00 C ATOM 866 O ALA A 60 5.593 -1.513 -13.448 1.00 0.00 O ATOM 867 CB ALA A 60 7.093 0.759 -15.151 1.00 0.00 C ATOM 0 H ALA A 60 8.183 0.491 -12.946 1.00 0.00 H new ATOM 0 HA ALA A 60 5.712 1.686 -13.771 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.420 0.836 -16.005 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.777 1.608 -15.150 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.664 -0.167 -15.222 1.00 0.00 H new ATOM 873 N ASN A 61 4.107 -0.164 -14.375 1.00 0.00 N ATOM 874 CA ASN A 61 3.058 -1.224 -14.450 1.00 0.00 C ATOM 875 C ASN A 61 3.035 -2.030 -13.148 1.00 0.00 C ATOM 876 O ASN A 61 3.353 -3.203 -13.114 1.00 0.00 O ATOM 877 CB ASN A 61 3.320 -2.144 -15.650 1.00 0.00 C ATOM 878 CG ASN A 61 4.756 -2.665 -15.618 1.00 0.00 C ATOM 879 OD1 ASN A 61 5.680 -1.954 -15.962 1.00 0.00 O ATOM 880 ND2 ASN A 61 4.982 -3.884 -15.217 1.00 0.00 N ATOM 0 H ASN A 61 3.819 0.744 -14.739 1.00 0.00 H new ATOM 0 HA ASN A 61 2.085 -0.752 -14.584 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.622 -2.981 -15.634 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.144 -1.600 -16.578 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.936 -4.244 -15.191 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.205 -4.478 -14.929 1.00 0.00 H new ATOM 887 N VAL A 62 2.649 -1.394 -12.072 1.00 0.00 N ATOM 888 CA VAL A 62 2.589 -2.093 -10.756 1.00 0.00 C ATOM 889 C VAL A 62 1.249 -2.807 -10.611 1.00 0.00 C ATOM 890 O VAL A 62 0.206 -2.272 -10.936 1.00 0.00 O ATOM 891 CB VAL A 62 2.757 -1.077 -9.623 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.555 -0.127 -9.586 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.859 -1.820 -8.291 1.00 0.00 C ATOM 0 H VAL A 62 2.371 -0.413 -12.050 1.00 0.00 H new ATOM 0 HA VAL A 62 3.394 -2.826 -10.704 1.00 0.00 H new ATOM 0 HB VAL A 62 3.664 -0.496 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.684 0.592 -8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.482 0.404 -10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.643 -0.700 -9.420 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.979 -1.100 -7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.952 -2.402 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.720 -2.489 -8.312 1.00 0.00 H new ATOM 903 N GLU A 63 1.276 -4.024 -10.129 1.00 0.00 N ATOM 904 CA GLU A 63 0.016 -4.813 -9.958 1.00 0.00 C ATOM 905 C GLU A 63 -0.275 -5.015 -8.474 1.00 0.00 C ATOM 906 O GLU A 63 0.619 -5.152 -7.659 1.00 0.00 O ATOM 907 CB GLU A 63 0.182 -6.171 -10.638 1.00 0.00 C ATOM 908 CG GLU A 63 0.232 -5.965 -12.152 1.00 0.00 C ATOM 909 CD GLU A 63 0.484 -7.302 -12.850 1.00 0.00 C ATOM 910 OE1 GLU A 63 0.556 -8.305 -12.161 1.00 0.00 O ATOM 911 OE2 GLU A 63 0.599 -7.298 -14.065 1.00 0.00 O ATOM 0 H GLU A 63 2.126 -4.510 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.815 -4.272 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.095 -6.656 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.647 -6.828 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.707 -5.534 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.021 -5.258 -12.406 1.00 0.00 H new ATOM 918 N TYR A 64 -1.531 -5.020 -8.119 1.00 0.00 N ATOM 919 CA TYR A 64 -1.910 -5.198 -6.689 1.00 0.00 C ATOM 920 C TYR A 64 -3.262 -5.900 -6.585 1.00 0.00 C ATOM 921 O TYR A 64 -4.036 -5.943 -7.523 1.00 0.00 O ATOM 922 CB TYR A 64 -1.999 -3.833 -6.005 1.00 0.00 C ATOM 923 CG TYR A 64 -2.976 -2.945 -6.745 1.00 0.00 C ATOM 924 CD1 TYR A 64 -2.528 -2.134 -7.795 1.00 0.00 C ATOM 925 CD2 TYR A 64 -4.328 -2.925 -6.374 1.00 0.00 C ATOM 926 CE1 TYR A 64 -3.429 -1.303 -8.472 1.00 0.00 C ATOM 927 CE2 TYR A 64 -5.229 -2.094 -7.054 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.778 -1.283 -8.103 1.00 0.00 C ATOM 929 OH TYR A 64 -5.666 -0.463 -8.770 1.00 0.00 O ATOM 0 H TYR A 64 -2.315 -4.908 -8.762 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.150 -5.807 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.319 -3.956 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.015 -3.364 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.487 -2.149 -8.083 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.675 -3.550 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.082 -0.677 -9.280 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.271 -2.079 -6.769 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.562 -0.572 -8.388 1.00 0.00 H new ATOM 939 N GLU A 65 -3.543 -6.448 -5.435 1.00 0.00 N ATOM 940 CA GLU A 65 -4.837 -7.160 -5.212 1.00 0.00 C ATOM 941 C GLU A 65 -5.339 -6.851 -3.804 1.00 0.00 C ATOM 942 O GLU A 65 -4.563 -6.683 -2.881 1.00 0.00 O ATOM 943 CB GLU A 65 -4.619 -8.668 -5.354 1.00 0.00 C ATOM 944 CG GLU A 65 -4.323 -9.014 -6.814 1.00 0.00 C ATOM 945 CD GLU A 65 -5.559 -8.726 -7.670 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.642 -8.680 -7.112 1.00 0.00 O ATOM 947 OE2 GLU A 65 -5.400 -8.551 -8.866 1.00 0.00 O ATOM 0 H GLU A 65 -2.922 -6.433 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.571 -6.829 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.791 -8.986 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.504 -9.206 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.476 -8.429 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.045 -10.064 -6.900 1.00 0.00 H new ATOM 954 N VAL A 66 -6.634 -6.771 -3.635 1.00 0.00 N ATOM 955 CA VAL A 66 -7.215 -6.466 -2.288 1.00 0.00 C ATOM 956 C VAL A 66 -8.254 -7.517 -1.913 1.00 0.00 C ATOM 957 O VAL A 66 -9.133 -7.850 -2.687 1.00 0.00 O ATOM 958 CB VAL A 66 -7.871 -5.085 -2.311 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.990 -5.056 -3.357 1.00 0.00 C ATOM 960 CG2 VAL A 66 -8.456 -4.786 -0.929 1.00 0.00 C ATOM 0 H VAL A 66 -7.321 -6.905 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.415 -6.477 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.125 -4.333 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.453 -4.069 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.574 -5.272 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.741 -5.806 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.926 -3.802 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.201 -5.541 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.659 -4.801 -0.186 1.00 0.00 H new ATOM 970 N ALA A 67 -8.153 -8.038 -0.721 1.00 0.00 N ATOM 971 CA ALA A 67 -9.120 -9.071 -0.267 1.00 0.00 C ATOM 972 C ALA A 67 -10.429 -8.384 0.161 1.00 0.00 C ATOM 973 O ALA A 67 -10.474 -7.182 0.327 1.00 0.00 O ATOM 974 CB ALA A 67 -8.510 -9.851 0.914 1.00 0.00 C ATOM 0 H ALA A 67 -7.436 -7.789 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.335 -9.768 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.215 -10.611 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.585 -10.331 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.298 -9.164 1.733 1.00 0.00 H new ATOM 980 N PRO A 68 -11.480 -9.143 0.346 1.00 0.00 N ATOM 981 CA PRO A 68 -12.802 -8.590 0.771 1.00 0.00 C ATOM 982 C PRO A 68 -12.706 -7.709 2.024 1.00 0.00 C ATOM 983 O PRO A 68 -12.171 -8.106 3.044 1.00 0.00 O ATOM 984 CB PRO A 68 -13.642 -9.846 1.060 1.00 0.00 C ATOM 985 CG PRO A 68 -13.026 -10.921 0.226 1.00 0.00 C ATOM 986 CD PRO A 68 -11.534 -10.605 0.164 1.00 0.00 C ATOM 0 HA PRO A 68 -13.228 -7.940 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.616 -10.104 2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.688 -9.691 0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.199 -11.903 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.463 -10.938 -0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.981 -11.127 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.100 -10.906 -0.789 1.00 0.00 H new ATOM 994 N VAL A 69 -13.231 -6.511 1.947 1.00 0.00 N ATOM 995 CA VAL A 69 -13.198 -5.582 3.119 1.00 0.00 C ATOM 996 C VAL A 69 -14.586 -4.974 3.332 1.00 0.00 C ATOM 997 O VAL A 69 -15.226 -4.508 2.407 1.00 0.00 O ATOM 998 CB VAL A 69 -12.183 -4.465 2.865 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.299 -3.410 3.969 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.768 -5.050 2.863 1.00 0.00 C ATOM 0 H VAL A 69 -13.685 -6.134 1.115 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.906 -6.138 4.010 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.385 -4.003 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.576 -2.614 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.306 -2.993 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.097 -3.871 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.046 -4.254 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.564 -5.513 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.686 -5.800 2.077 1.00 0.00 H new ATOM 1010 N ALA A 70 -15.045 -4.969 4.550 1.00 0.00 N ATOM 1011 CA ALA A 70 -16.382 -4.391 4.853 1.00 0.00 C ATOM 1012 C ALA A 70 -16.275 -2.869 4.988 1.00 0.00 C ATOM 1013 O ALA A 70 -15.218 -2.326 5.255 1.00 0.00 O ATOM 1014 CB ALA A 70 -16.906 -4.991 6.162 1.00 0.00 C ATOM 0 H ALA A 70 -14.546 -5.344 5.357 1.00 0.00 H new ATOM 0 HA ALA A 70 -17.071 -4.626 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.886 -4.570 6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.991 -6.073 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.215 -4.757 6.972 1.00 0.00 H new ATOM 1020 N ASP A 71 -17.369 -2.183 4.810 1.00 0.00 N ATOM 1021 CA ASP A 71 -17.366 -0.695 4.931 1.00 0.00 C ATOM 1022 C ASP A 71 -17.017 -0.295 6.366 1.00 0.00 C ATOM 1023 O ASP A 71 -16.322 0.676 6.607 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.760 -0.170 4.584 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.713 1.349 4.419 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -17.638 1.864 4.163 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.754 1.971 4.552 1.00 0.00 O ATOM 0 H ASP A 71 -18.275 -2.592 4.583 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.626 -0.272 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.115 -0.634 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.466 -0.438 5.370 1.00 0.00 H new ATOM 1032 N ASN A 72 -17.504 -1.038 7.323 1.00 0.00 N ATOM 1033 CA ASN A 72 -17.222 -0.715 8.754 1.00 0.00 C ATOM 1034 C ASN A 72 -15.977 -1.486 9.217 1.00 0.00 C ATOM 1035 O ASN A 72 -15.687 -1.572 10.396 1.00 0.00 O ATOM 1036 CB ASN A 72 -18.431 -1.132 9.601 1.00 0.00 C ATOM 1037 CG ASN A 72 -19.645 -0.278 9.220 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -19.463 0.900 8.687 1.00 0.00 O flip ATOM 1039 ND2 ASN A 72 -20.775 -0.690 9.408 1.00 0.00 N flip ATOM 0 H ASN A 72 -18.089 -1.860 7.175 1.00 0.00 H new ATOM 0 HA ASN A 72 -17.042 0.354 8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.652 -2.188 9.442 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -18.205 -1.009 10.660 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -20.920 -1.610 9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -21.577 -0.115 9.149 1.00 0.00 H new ATOM 1046 N ALA A 73 -15.242 -2.050 8.297 1.00 0.00 N ATOM 1047 CA ALA A 73 -14.020 -2.826 8.673 1.00 0.00 C ATOM 1048 C ALA A 73 -12.980 -1.905 9.318 1.00 0.00 C ATOM 1049 O ALA A 73 -12.849 -0.746 8.970 1.00 0.00 O ATOM 1050 CB ALA A 73 -13.418 -3.472 7.423 1.00 0.00 C ATOM 0 H ALA A 73 -15.434 -2.008 7.296 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.302 -3.598 9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.528 -4.037 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.149 -4.143 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.148 -2.696 6.707 1.00 0.00 H new ATOM 1056 N THR A 74 -12.230 -2.427 10.256 1.00 0.00 N ATOM 1057 CA THR A 74 -11.183 -1.614 10.945 1.00 0.00 C ATOM 1058 C THR A 74 -9.803 -1.946 10.361 1.00 0.00 C ATOM 1059 O THR A 74 -8.806 -1.342 10.713 1.00 0.00 O ATOM 1060 CB THR A 74 -11.196 -1.937 12.451 1.00 0.00 C ATOM 1061 OG1 THR A 74 -9.880 -1.826 12.972 1.00 0.00 O ATOM 1062 CG2 THR A 74 -11.712 -3.364 12.681 1.00 0.00 C ATOM 0 H THR A 74 -12.300 -3.393 10.577 1.00 0.00 H new ATOM 0 HA THR A 74 -11.390 -0.554 10.796 1.00 0.00 H new ATOM 0 HB THR A 74 -11.855 -1.231 12.958 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.889 -2.030 13.930 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.717 -3.581 13.749 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.725 -3.452 12.288 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.061 -4.073 12.169 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.731 -2.899 9.465 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.410 -3.262 8.861 1.00 0.00 C ATOM 1072 C GLU A 75 -8.599 -3.636 7.397 1.00 0.00 C ATOM 1073 O GLU A 75 -9.618 -4.168 7.003 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.789 -4.442 9.613 1.00 0.00 C ATOM 1075 CG GLU A 75 -6.415 -4.764 9.010 1.00 0.00 C ATOM 1076 CD GLU A 75 -5.752 -5.883 9.813 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -6.441 -6.505 10.604 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -4.566 -6.098 9.625 1.00 0.00 O ATOM 0 H GLU A 75 -10.526 -3.440 9.126 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.743 -2.403 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.687 -4.200 10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.441 -5.313 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.526 -5.066 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.785 -3.874 9.019 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.610 -3.357 6.589 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.691 -3.679 5.136 1.00 0.00 C ATOM 1087 C LEU A 76 -6.481 -4.511 4.730 1.00 0.00 C ATOM 1088 O LEU A 76 -5.358 -4.226 5.105 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.716 -2.382 4.331 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.640 -2.696 2.812 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.647 -1.833 2.045 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.229 -2.404 2.284 1.00 0.00 C ATOM 0 H LEU A 76 -6.739 -2.914 6.880 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.600 -4.247 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.628 -1.826 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.878 -1.748 4.622 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.875 -3.750 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.585 -2.061 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.654 -2.044 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.418 -0.779 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.186 -2.627 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.991 -1.352 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.506 -3.025 2.814 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.710 -5.548 3.969 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.595 -6.436 3.523 1.00 0.00 C ATOM 1106 C HIS A 77 -5.323 -6.214 2.038 1.00 0.00 C ATOM 1107 O HIS A 77 -6.221 -6.238 1.214 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.994 -7.892 3.754 1.00 0.00 C ATOM 1109 CG HIS A 77 -6.217 -8.117 5.223 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -5.167 -8.211 6.122 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -7.362 -8.264 5.968 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -5.695 -8.408 7.343 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -7.030 -8.449 7.307 1.00 0.00 N ATOM 0 H HIS A 77 -7.633 -5.821 3.633 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.694 -6.204 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.901 -8.126 3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.213 -8.558 3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.367 -8.240 5.574 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.110 -8.520 8.244 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.668 -8.586 8.091 1.00 0.00 H new ATOM 1121 N ALA A 78 -4.086 -5.995 1.693 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.730 -5.765 0.265 1.00 0.00 C ATOM 1123 C ALA A 78 -2.329 -6.308 -0.003 1.00 0.00 C ATOM 1124 O ALA A 78 -1.503 -6.403 0.886 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.766 -4.263 -0.039 1.00 0.00 C ATOM 0 H ALA A 78 -3.300 -5.965 2.343 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.447 -6.279 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.505 -4.097 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.768 -3.877 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.051 -3.745 0.600 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.064 -6.668 -1.229 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.724 -7.216 -1.596 1.00 0.00 C ATOM 1133 C ARG A 79 -0.222 -6.523 -2.861 1.00 0.00 C ATOM 1134 O ARG A 79 -0.994 -6.114 -3.709 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.840 -8.719 -1.853 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.264 -9.422 -0.562 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.423 -10.923 -0.817 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.095 -11.517 -1.151 1.00 0.00 N ATOM 1139 CZ ARG A 79 0.721 -11.904 -0.204 1.00 0.00 C ATOM 1140 NH1 ARG A 79 0.392 -11.761 1.053 1.00 0.00 N ATOM 1141 NH2 ARG A 79 1.871 -12.432 -0.516 1.00 0.00 N ATOM 0 H ARG A 79 -2.726 -6.606 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.023 -7.040 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.569 -8.910 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.115 -9.115 -2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.520 -9.253 0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.204 -9.004 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.839 -11.410 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.124 -11.091 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 79 0.179 -11.622 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.506 -11.345 1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.033 -12.065 1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.132 -12.542 -1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.510 -12.735 0.220 1.00 0.00 H new ATOM 1155 N PHE A 80 1.071 -6.389 -2.985 1.00 0.00 N ATOM 1156 CA PHE A 80 1.668 -5.723 -4.183 1.00 0.00 C ATOM 1157 C PHE A 80 2.726 -6.634 -4.796 1.00 0.00 C ATOM 1158 O PHE A 80 3.364 -7.416 -4.116 1.00 0.00 O ATOM 1159 CB PHE A 80 2.322 -4.409 -3.757 1.00 0.00 C ATOM 1160 CG PHE A 80 1.254 -3.379 -3.490 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.598 -3.354 -2.254 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.918 -2.451 -4.482 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.395 -2.398 -2.011 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.074 -1.496 -4.239 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.730 -1.468 -3.003 1.00 0.00 C ATOM 0 H PHE A 80 1.750 -6.717 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 80 0.886 -5.525 -4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.925 -4.564 -2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.996 -4.056 -4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.857 -4.071 -1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.425 -2.472 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.903 -2.378 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.334 -0.780 -5.005 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.495 -0.729 -2.814 1.00 0.00 H new ATOM 1175 N LYS A 81 2.915 -6.529 -6.085 1.00 0.00 N ATOM 1176 CA LYS A 81 3.929 -7.373 -6.783 1.00 0.00 C ATOM 1177 C LYS A 81 5.089 -6.493 -7.244 1.00 0.00 C ATOM 1178 O LYS A 81 4.945 -5.652 -8.112 1.00 0.00 O ATOM 1179 CB LYS A 81 3.276 -8.042 -7.990 1.00 0.00 C ATOM 1180 CG LYS A 81 4.293 -8.952 -8.680 1.00 0.00 C ATOM 1181 CD LYS A 81 3.623 -9.679 -9.847 1.00 0.00 C ATOM 1182 CE LYS A 81 4.640 -10.597 -10.529 1.00 0.00 C ATOM 1183 NZ LYS A 81 4.844 -11.817 -9.698 1.00 0.00 N ATOM 0 H LYS A 81 2.404 -5.887 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 81 4.307 -8.137 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.409 -8.622 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.916 -7.286 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.136 -8.363 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.691 -9.675 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.775 -10.262 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.232 -8.956 -10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.286 -10.875 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.586 -10.073 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.428 -12.500 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.325 -11.558 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.922 -12.246 -9.479 1.00 0.00 H new ATOM 1197 N PHE A 82 6.243 -6.690 -6.661 1.00 0.00 N ATOM 1198 CA PHE A 82 7.447 -5.887 -7.035 1.00 0.00 C ATOM 1199 C PHE A 82 8.461 -6.780 -7.746 1.00 0.00 C ATOM 1200 O PHE A 82 8.604 -7.951 -7.442 1.00 0.00 O ATOM 1201 CB PHE A 82 8.075 -5.290 -5.774 1.00 0.00 C ATOM 1202 CG PHE A 82 7.219 -4.142 -5.290 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.273 -2.909 -5.949 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.372 -4.312 -4.188 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.481 -1.843 -5.508 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.579 -3.245 -3.747 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.634 -2.011 -4.407 1.00 0.00 C ATOM 0 H PHE A 82 6.405 -7.383 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 82 7.150 -5.081 -7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.156 -6.051 -4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.086 -4.942 -5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.927 -2.780 -6.799 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.330 -5.264 -3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.523 -0.891 -6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.925 -3.374 -2.897 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.022 -1.189 -4.066 1.00 0.00 H new ATOM 1217 N GLU A 83 9.160 -6.230 -8.696 1.00 0.00 N ATOM 1218 CA GLU A 83 10.171 -7.019 -9.451 1.00 0.00 C ATOM 1219 C GLU A 83 11.321 -7.416 -8.523 1.00 0.00 C ATOM 1220 O GLU A 83 11.855 -8.504 -8.615 1.00 0.00 O ATOM 1221 CB GLU A 83 10.717 -6.161 -10.593 1.00 0.00 C ATOM 1222 CG GLU A 83 11.588 -7.018 -11.514 1.00 0.00 C ATOM 1223 CD GLU A 83 10.700 -7.998 -12.281 1.00 0.00 C ATOM 1224 OE1 GLU A 83 9.491 -7.860 -12.198 1.00 0.00 O ATOM 1225 OE2 GLU A 83 11.243 -8.865 -12.945 1.00 0.00 O ATOM 0 H GLU A 83 9.073 -5.256 -8.985 1.00 0.00 H new ATOM 0 HA GLU A 83 9.706 -7.921 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.893 -5.725 -11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.301 -5.333 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.135 -6.383 -12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.330 -7.562 -10.929 1.00 0.00 H new ATOM 1232 N VAL A 84 11.718 -6.535 -7.638 1.00 0.00 N ATOM 1233 CA VAL A 84 12.848 -6.853 -6.706 1.00 0.00 C ATOM 1234 C VAL A 84 12.513 -6.402 -5.284 1.00 0.00 C ATOM 1235 O VAL A 84 11.641 -5.586 -5.060 1.00 0.00 O ATOM 1236 CB VAL A 84 14.127 -6.160 -7.184 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.600 -6.815 -8.483 1.00 0.00 C ATOM 1238 CG2 VAL A 84 13.850 -4.676 -7.440 1.00 0.00 C ATOM 0 H VAL A 84 11.309 -5.608 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 84 13.003 -7.932 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 84 14.896 -6.256 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.511 -6.325 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.802 -7.871 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.825 -6.716 -9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.764 -4.189 -7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.080 -4.576 -8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.509 -4.205 -6.518 1.00 0.00 H new ATOM 1248 N SER A 85 13.217 -6.942 -4.324 1.00 0.00 N ATOM 1249 CA SER A 85 12.976 -6.579 -2.899 1.00 0.00 C ATOM 1250 C SER A 85 13.454 -5.146 -2.638 1.00 0.00 C ATOM 1251 O SER A 85 13.103 -4.532 -1.649 1.00 0.00 O ATOM 1252 CB SER A 85 13.752 -7.546 -2.005 1.00 0.00 C ATOM 1253 OG SER A 85 13.116 -8.818 -2.019 1.00 0.00 O ATOM 0 H SER A 85 13.958 -7.628 -4.470 1.00 0.00 H new ATOM 0 HA SER A 85 11.910 -6.643 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.780 -7.637 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.796 -7.161 -0.986 1.00 0.00 H new ATOM 0 HG SER A 85 13.614 -9.439 -1.447 1.00 0.00 H new ATOM 1259 N ALA A 86 14.257 -4.610 -3.517 1.00 0.00 N ATOM 1260 CA ALA A 86 14.761 -3.218 -3.320 1.00 0.00 C ATOM 1261 C ALA A 86 13.579 -2.245 -3.283 1.00 0.00 C ATOM 1262 O ALA A 86 13.525 -1.338 -2.473 1.00 0.00 O ATOM 1263 CB ALA A 86 15.678 -2.845 -4.487 1.00 0.00 C ATOM 0 H ALA A 86 14.586 -5.075 -4.363 1.00 0.00 H new ATOM 0 HA ALA A 86 15.311 -3.161 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.049 -1.829 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.520 -3.537 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.120 -2.903 -5.421 1.00 0.00 H new ATOM 1269 N GLU A 87 12.630 -2.431 -4.156 1.00 0.00 N ATOM 1270 CA GLU A 87 11.443 -1.529 -4.184 1.00 0.00 C ATOM 1271 C GLU A 87 10.580 -1.792 -2.945 1.00 0.00 C ATOM 1272 O GLU A 87 9.963 -0.899 -2.397 1.00 0.00 O ATOM 1273 CB GLU A 87 10.625 -1.811 -5.452 1.00 0.00 C ATOM 1274 CG GLU A 87 11.243 -1.082 -6.650 1.00 0.00 C ATOM 1275 CD GLU A 87 12.625 -1.663 -6.954 1.00 0.00 C ATOM 1276 OE1 GLU A 87 13.523 -1.457 -6.155 1.00 0.00 O ATOM 1277 OE2 GLU A 87 12.764 -2.301 -7.985 1.00 0.00 O ATOM 0 H GLU A 87 12.624 -3.173 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 87 11.768 -0.489 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.596 -2.883 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.595 -1.485 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.596 -1.183 -7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.326 -0.016 -6.436 1.00 0.00 H new ATOM 1284 N LYS A 88 10.533 -3.018 -2.503 1.00 0.00 N ATOM 1285 CA LYS A 88 9.713 -3.348 -1.304 1.00 0.00 C ATOM 1286 C LYS A 88 10.238 -2.581 -0.092 1.00 0.00 C ATOM 1287 O LYS A 88 9.487 -1.991 0.661 1.00 0.00 O ATOM 1288 CB LYS A 88 9.810 -4.849 -1.020 1.00 0.00 C ATOM 1289 CG LYS A 88 8.907 -5.206 0.165 1.00 0.00 C ATOM 1290 CD LYS A 88 8.941 -6.717 0.406 1.00 0.00 C ATOM 1291 CE LYS A 88 8.029 -7.064 1.585 1.00 0.00 C ATOM 1292 NZ LYS A 88 8.032 -8.539 1.799 1.00 0.00 N ATOM 0 H LYS A 88 11.027 -3.806 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 88 8.676 -3.070 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.512 -5.416 -1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.842 -5.122 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.239 -4.678 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.885 -4.883 -0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.614 -7.247 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.961 -7.041 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.372 -6.555 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.015 -6.716 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.412 -8.775 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.686 -9.015 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.000 -8.858 2.005 1.00 0.00 H new ATOM 1306 N LEU A 89 11.524 -2.597 0.111 1.00 0.00 N ATOM 1307 CA LEU A 89 12.095 -1.877 1.283 1.00 0.00 C ATOM 1308 C LEU A 89 11.826 -0.375 1.148 1.00 0.00 C ATOM 1309 O LEU A 89 11.418 0.285 2.085 1.00 0.00 O ATOM 1310 CB LEU A 89 13.611 -2.116 1.338 1.00 0.00 C ATOM 1311 CG LEU A 89 14.204 -1.440 2.586 1.00 0.00 C ATOM 1312 CD1 LEU A 89 13.595 -2.061 3.857 1.00 0.00 C ATOM 1313 CD2 LEU A 89 15.727 -1.626 2.595 1.00 0.00 C ATOM 0 H LEU A 89 12.203 -3.075 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 89 11.629 -2.248 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.818 -3.186 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.083 -1.718 0.440 1.00 0.00 H new ATOM 0 HG LEU A 89 13.970 -0.376 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.019 -1.578 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.514 -1.918 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.820 -3.127 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.147 -1.147 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.964 -2.690 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.154 -1.174 1.700 1.00 0.00 H new ATOM 1325 N ILE A 90 12.061 0.165 -0.014 1.00 0.00 N ATOM 1326 CA ILE A 90 11.830 1.622 -0.232 1.00 0.00 C ATOM 1327 C ILE A 90 10.333 1.934 -0.120 1.00 0.00 C ATOM 1328 O ILE A 90 9.927 2.903 0.494 1.00 0.00 O ATOM 1329 CB ILE A 90 12.326 1.999 -1.632 1.00 0.00 C ATOM 1330 CG1 ILE A 90 13.850 1.870 -1.685 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.923 3.439 -1.957 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.327 1.971 -3.137 1.00 0.00 C ATOM 0 H ILE A 90 12.406 -0.343 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 90 12.370 2.195 0.522 1.00 0.00 H new ATOM 0 HB ILE A 90 11.877 1.328 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.312 2.654 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.159 0.917 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.279 3.700 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.837 3.529 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.366 4.115 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.413 1.879 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.876 1.171 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.032 2.935 -3.551 1.00 0.00 H new ATOM 1344 N PHE A 91 9.519 1.120 -0.726 1.00 0.00 N ATOM 1345 CA PHE A 91 8.045 1.344 -0.682 1.00 0.00 C ATOM 1346 C PHE A 91 7.548 1.242 0.762 1.00 0.00 C ATOM 1347 O PHE A 91 6.739 2.030 1.216 1.00 0.00 O ATOM 1348 CB PHE A 91 7.354 0.276 -1.533 1.00 0.00 C ATOM 1349 CG PHE A 91 5.883 0.600 -1.664 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.482 1.736 -2.376 1.00 0.00 C ATOM 1351 CD2 PHE A 91 4.918 -0.231 -1.075 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.123 2.043 -2.501 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.558 0.077 -1.201 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.161 1.214 -1.914 1.00 0.00 C ATOM 0 H PHE A 91 9.812 0.300 -1.256 1.00 0.00 H new ATOM 0 HA PHE A 91 7.815 2.336 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.815 0.229 -2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.481 -0.705 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.223 2.377 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.224 -1.108 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.816 2.920 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.815 -0.563 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.112 1.451 -2.011 1.00 0.00 H new ATOM 1364 N GLU A 92 8.014 0.259 1.477 1.00 0.00 N ATOM 1365 CA GLU A 92 7.567 0.066 2.888 1.00 0.00 C ATOM 1366 C GLU A 92 7.826 1.334 3.710 1.00 0.00 C ATOM 1367 O GLU A 92 6.923 1.917 4.281 1.00 0.00 O ATOM 1368 CB GLU A 92 8.358 -1.092 3.503 1.00 0.00 C ATOM 1369 CG GLU A 92 7.741 -1.483 4.847 1.00 0.00 C ATOM 1370 CD GLU A 92 6.392 -2.164 4.608 1.00 0.00 C ATOM 1371 OE1 GLU A 92 6.070 -2.408 3.457 1.00 0.00 O ATOM 1372 OE2 GLU A 92 5.705 -2.431 5.580 1.00 0.00 O ATOM 0 H GLU A 92 8.692 -0.427 1.144 1.00 0.00 H new ATOM 0 HA GLU A 92 6.499 -0.151 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.353 -1.947 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.399 -0.801 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.410 -2.155 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.609 -0.598 5.470 1.00 0.00 H new ATOM 1379 N LEU A 93 9.056 1.754 3.786 1.00 0.00 N ATOM 1380 CA LEU A 93 9.390 2.976 4.579 1.00 0.00 C ATOM 1381 C LEU A 93 8.729 4.216 3.962 1.00 0.00 C ATOM 1382 O LEU A 93 8.268 5.098 4.660 1.00 0.00 O ATOM 1383 CB LEU A 93 10.916 3.156 4.606 1.00 0.00 C ATOM 1384 CG LEU A 93 11.524 2.293 5.714 1.00 0.00 C ATOM 1385 CD1 LEU A 93 11.145 0.829 5.491 1.00 0.00 C ATOM 1386 CD2 LEU A 93 13.048 2.436 5.697 1.00 0.00 C ATOM 0 H LEU A 93 9.851 1.304 3.332 1.00 0.00 H new ATOM 0 HA LEU A 93 9.014 2.857 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.341 2.877 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.164 4.204 4.772 1.00 0.00 H new ATOM 0 HG LEU A 93 11.140 2.622 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.579 0.216 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.060 0.727 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.525 0.498 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.480 1.821 6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.433 2.110 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.317 3.479 5.861 1.00 0.00 H new ATOM 1398 N LYS A 94 8.701 4.305 2.663 1.00 0.00 N ATOM 1399 CA LYS A 94 8.095 5.503 2.009 1.00 0.00 C ATOM 1400 C LYS A 94 6.609 5.621 2.368 1.00 0.00 C ATOM 1401 O LYS A 94 6.128 6.683 2.719 1.00 0.00 O ATOM 1402 CB LYS A 94 8.240 5.374 0.493 1.00 0.00 C ATOM 1403 CG LYS A 94 7.738 6.654 -0.190 1.00 0.00 C ATOM 1404 CD LYS A 94 7.851 6.517 -1.715 1.00 0.00 C ATOM 1405 CE LYS A 94 9.311 6.671 -2.160 1.00 0.00 C ATOM 1406 NZ LYS A 94 9.364 6.833 -3.638 1.00 0.00 N ATOM 0 H LYS A 94 9.071 3.602 2.023 1.00 0.00 H new ATOM 0 HA LYS A 94 8.612 6.396 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.284 5.197 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.673 4.514 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.702 6.843 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.321 7.510 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.469 5.545 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.235 7.273 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.762 7.535 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.889 5.797 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.190 6.325 -4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.497 6.445 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.442 7.843 -3.874 1.00 0.00 H new ATOM 1420 N THR A 95 5.871 4.549 2.277 1.00 0.00 N ATOM 1421 CA THR A 95 4.417 4.621 2.610 1.00 0.00 C ATOM 1422 C THR A 95 4.243 4.848 4.114 1.00 0.00 C ATOM 1423 O THR A 95 3.403 5.614 4.549 1.00 0.00 O ATOM 1424 CB THR A 95 3.734 3.312 2.217 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.487 2.214 2.719 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.633 3.221 0.695 1.00 0.00 C ATOM 0 H THR A 95 6.208 3.630 1.988 1.00 0.00 H new ATOM 0 HA THR A 95 3.966 5.448 2.061 1.00 0.00 H new ATOM 0 HB THR A 95 2.731 3.284 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.234 2.026 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.145 2.286 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.049 4.061 0.318 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.633 3.251 0.262 1.00 0.00 H new ATOM 1434 N ARG A 96 5.039 4.191 4.909 1.00 0.00 N ATOM 1435 CA ARG A 96 4.937 4.368 6.386 1.00 0.00 C ATOM 1436 C ARG A 96 5.310 5.807 6.751 1.00 0.00 C ATOM 1437 O ARG A 96 4.693 6.433 7.592 1.00 0.00 O ATOM 1438 CB ARG A 96 5.900 3.399 7.082 1.00 0.00 C ATOM 1439 CG ARG A 96 5.379 1.965 6.953 1.00 0.00 C ATOM 1440 CD ARG A 96 6.398 0.983 7.550 1.00 0.00 C ATOM 1441 NE ARG A 96 6.558 1.254 9.009 1.00 0.00 N ATOM 1442 CZ ARG A 96 7.453 0.608 9.712 1.00 0.00 C ATOM 1443 NH1 ARG A 96 8.219 -0.288 9.149 1.00 0.00 N ATOM 1444 NH2 ARG A 96 7.580 0.859 10.986 1.00 0.00 N ATOM 0 H ARG A 96 5.758 3.537 4.600 1.00 0.00 H new ATOM 0 HA ARG A 96 3.917 4.162 6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.892 3.476 6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.001 3.665 8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.423 1.868 7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.202 1.726 5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.064 -0.043 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.358 1.086 7.043 1.00 0.00 H new ATOM 0 HE ARG A 96 5.965 1.949 9.462 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.122 -0.489 8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.914 -0.787 9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.983 1.556 11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.276 0.358 11.538 1.00 0.00 H new ATOM 1458 N ALA A 97 6.318 6.335 6.113 1.00 0.00 N ATOM 1459 CA ALA A 97 6.746 7.732 6.406 1.00 0.00 C ATOM 1460 C ALA A 97 5.607 8.693 6.080 1.00 0.00 C ATOM 1461 O ALA A 97 5.397 9.676 6.760 1.00 0.00 O ATOM 1462 CB ALA A 97 7.961 8.077 5.545 1.00 0.00 C ATOM 0 H ALA A 97 6.866 5.857 5.398 1.00 0.00 H new ATOM 0 HA ALA A 97 7.005 7.821 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.278 9.098 5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.776 7.390 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.697 7.989 4.491 1.00 0.00 H new ATOM 1468 N LEU A 98 4.874 8.414 5.039 1.00 0.00 N ATOM 1469 CA LEU A 98 3.743 9.306 4.655 1.00 0.00 C ATOM 1470 C LEU A 98 2.701 9.323 5.781 1.00 0.00 C ATOM 1471 O LEU A 98 2.198 10.360 6.171 1.00 0.00 O ATOM 1472 CB LEU A 98 3.100 8.765 3.371 1.00 0.00 C ATOM 1473 CG LEU A 98 2.263 9.863 2.690 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.875 9.402 1.280 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.990 10.176 3.512 1.00 0.00 C ATOM 0 H LEU A 98 5.009 7.604 4.435 1.00 0.00 H new ATOM 0 HA LEU A 98 4.109 10.319 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.874 8.412 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.468 7.909 3.606 1.00 0.00 H new ATOM 0 HG LEU A 98 2.860 10.773 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.282 10.177 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.777 9.216 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.290 8.485 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.415 10.955 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.382 9.275 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.274 10.519 4.507 1.00 0.00 H new ATOM 1487 N ALA A 99 2.380 8.174 6.302 1.00 0.00 N ATOM 1488 CA ALA A 99 1.374 8.095 7.400 1.00 0.00 C ATOM 1489 C ALA A 99 1.935 8.761 8.659 1.00 0.00 C ATOM 1490 O ALA A 99 1.207 9.165 9.546 1.00 0.00 O ATOM 1491 CB ALA A 99 1.072 6.626 7.696 1.00 0.00 C ATOM 0 H ALA A 99 2.773 7.278 6.013 1.00 0.00 H new ATOM 0 HA ALA A 99 0.461 8.607 7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.337 6.560 8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.675 6.148 6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.988 6.121 8.001 1.00 0.00 H new ATOM 1497 N ARG A 100 3.230 8.885 8.734 1.00 0.00 N ATOM 1498 CA ARG A 100 3.862 9.528 9.920 1.00 0.00 C ATOM 1499 C ARG A 100 3.817 11.051 9.757 1.00 0.00 C ATOM 1500 O ARG A 100 4.331 11.796 10.570 1.00 0.00 O ATOM 1501 CB ARG A 100 5.314 9.057 10.040 1.00 0.00 C ATOM 1502 CG ARG A 100 5.346 7.610 10.543 1.00 0.00 C ATOM 1503 CD ARG A 100 6.798 7.124 10.625 1.00 0.00 C ATOM 1504 NE ARG A 100 6.830 5.727 11.144 1.00 0.00 N ATOM 1505 CZ ARG A 100 7.934 5.026 11.094 1.00 0.00 C ATOM 1506 NH1 ARG A 100 9.024 5.542 10.594 1.00 0.00 N ATOM 1507 NH2 ARG A 100 7.946 3.804 11.550 1.00 0.00 N ATOM 0 H ARG A 100 3.883 8.566 8.019 1.00 0.00 H new ATOM 0 HA ARG A 100 3.320 9.249 10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.811 9.127 9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.861 9.703 10.727 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.875 7.545 11.524 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.775 6.969 9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.263 7.167 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.375 7.779 11.278 1.00 0.00 H new ATOM 0 HE ARG A 100 5.986 5.315 11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.019 6.498 10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.880 4.989 10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.097 3.398 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.804 3.254 11.513 1.00 0.00 H new ATOM 1521 N LEU A 101 3.199 11.516 8.706 1.00 0.00 N ATOM 1522 CA LEU A 101 3.099 12.987 8.473 1.00 0.00 C ATOM 1523 C LEU A 101 1.885 13.526 9.230 1.00 0.00 C ATOM 1524 O LEU A 101 1.630 14.715 9.265 1.00 0.00 O ATOM 1525 CB LEU A 101 2.926 13.244 6.970 1.00 0.00 C ATOM 1526 CG LEU A 101 4.137 12.692 6.206 1.00 0.00 C ATOM 1527 CD1 LEU A 101 3.945 12.911 4.701 1.00 0.00 C ATOM 1528 CD2 LEU A 101 5.424 13.397 6.674 1.00 0.00 C ATOM 0 H LEU A 101 2.756 10.937 7.993 1.00 0.00 H new ATOM 0 HA LEU A 101 4.001 13.487 8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.012 12.769 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.823 14.313 6.784 1.00 0.00 H new ATOM 0 HG LEU A 101 4.225 11.624 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.807 12.517 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.044 12.394 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.847 13.977 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.277 12.998 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.341 14.468 6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.566 13.225 7.741 1.00 0.00 H new ATOM 1540 N GLU A 102 1.130 12.650 9.837 1.00 0.00 N ATOM 1541 CA GLU A 102 -0.079 13.087 10.592 1.00 0.00 C ATOM 1542 C GLU A 102 0.316 14.054 11.709 1.00 0.00 C ATOM 1543 O GLU A 102 1.248 13.824 12.457 1.00 0.00 O ATOM 1544 CB GLU A 102 -0.772 11.858 11.195 1.00 0.00 C ATOM 1545 CG GLU A 102 -1.337 10.983 10.071 1.00 0.00 C ATOM 1546 CD GLU A 102 -2.495 11.708 9.377 1.00 0.00 C ATOM 1547 OE1 GLU A 102 -2.916 12.735 9.881 1.00 0.00 O ATOM 1548 OE2 GLU A 102 -2.938 11.222 8.350 1.00 0.00 O ATOM 0 H GLU A 102 1.300 11.644 9.842 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.761 13.597 9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.063 11.286 11.794 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.574 12.172 11.863 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.554 10.755 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.683 10.033 10.477 1.00 0.00 H new ATOM 1555 N HIS A 103 -0.404 15.139 11.824 1.00 0.00 N ATOM 1556 CA HIS A 103 -0.105 16.148 12.881 1.00 0.00 C ATOM 1557 C HIS A 103 -1.101 15.989 14.032 1.00 0.00 C ATOM 1558 O HIS A 103 -1.841 16.898 14.361 1.00 0.00 O ATOM 1559 CB HIS A 103 -0.234 17.547 12.278 1.00 0.00 C ATOM 1560 CG HIS A 103 0.139 18.574 13.308 1.00 0.00 C ATOM 1561 ND1 HIS A 103 -0.812 19.247 14.058 1.00 0.00 N ATOM 1562 CD2 HIS A 103 1.355 19.045 13.733 1.00 0.00 C ATOM 1563 CE1 HIS A 103 -0.157 20.079 14.889 1.00 0.00 C ATOM 1564 NE2 HIS A 103 1.167 19.995 14.731 1.00 0.00 N ATOM 0 H HIS A 103 -1.195 15.371 11.223 1.00 0.00 H new ATOM 0 HA HIS A 103 0.906 16.002 13.260 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.413 17.640 11.406 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -1.255 17.714 11.936 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.823 19.133 13.992 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.313 18.726 13.351 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -0.642 20.734 15.597 1.00 0.00 H new ATOM 1572 N HIS A 104 -1.119 14.834 14.649 1.00 0.00 N ATOM 1573 CA HIS A 104 -2.051 14.580 15.794 1.00 0.00 C ATOM 1574 C HIS A 104 -1.231 14.094 16.997 1.00 0.00 C ATOM 1575 O HIS A 104 -1.767 13.710 18.019 1.00 0.00 O ATOM 1576 CB HIS A 104 -3.073 13.511 15.392 1.00 0.00 C ATOM 1577 CG HIS A 104 -4.049 14.097 14.408 1.00 0.00 C ATOM 1578 ND1 HIS A 104 -3.765 14.206 13.055 1.00 0.00 N ATOM 1579 CD2 HIS A 104 -5.312 14.614 14.567 1.00 0.00 C ATOM 1580 CE1 HIS A 104 -4.835 14.766 12.459 1.00 0.00 C ATOM 1581 NE2 HIS A 104 -5.806 15.035 13.335 1.00 0.00 N ATOM 0 H HIS A 104 -0.520 14.045 14.406 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.581 15.495 16.057 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.565 12.654 14.950 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.602 13.148 16.273 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.842 14.683 15.506 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -4.900 14.972 11.401 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.714 15.458 13.143 1.00 0.00 H new ATOM 1589 N HIS A 105 0.072 14.114 16.874 1.00 0.00 N ATOM 1590 CA HIS A 105 0.949 13.657 17.996 1.00 0.00 C ATOM 1591 C HIS A 105 0.512 12.266 18.456 1.00 0.00 C ATOM 1592 O HIS A 105 0.967 11.761 19.465 1.00 0.00 O ATOM 1593 CB HIS A 105 0.858 14.646 19.164 1.00 0.00 C ATOM 1594 CG HIS A 105 1.514 15.942 18.773 1.00 0.00 C ATOM 1595 ND1 HIS A 105 0.852 16.917 18.043 1.00 0.00 N ATOM 1596 CD2 HIS A 105 2.776 16.439 19.001 1.00 0.00 C ATOM 1597 CE1 HIS A 105 1.708 17.939 17.859 1.00 0.00 C ATOM 1598 NE2 HIS A 105 2.896 17.699 18.423 1.00 0.00 N ATOM 0 H HIS A 105 0.569 14.429 16.041 1.00 0.00 H new ATOM 0 HA HIS A 105 1.982 13.612 17.650 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -0.185 14.819 19.428 1.00 0.00 H new ATOM 0 HB3 HIS A 105 1.346 14.230 20.046 1.00 0.00 H new ATOM 0 HD2 HIS A 105 3.556 15.928 19.546 1.00 0.00 H new ATOM 0 HE1 HIS A 105 1.465 18.843 17.321 1.00 0.00 H new ATOM 0 HE2 HIS A 105 3.714 18.308 18.428 1.00 0.00 H new ATOM 1606 N HIS A 106 -0.368 11.640 17.718 1.00 0.00 N ATOM 1607 CA HIS A 106 -0.847 10.274 18.095 1.00 0.00 C ATOM 1608 C HIS A 106 -0.832 9.359 16.870 1.00 0.00 C ATOM 1609 O HIS A 106 -1.086 9.775 15.756 1.00 0.00 O ATOM 1610 CB HIS A 106 -2.268 10.363 18.651 1.00 0.00 C ATOM 1611 CG HIS A 106 -2.249 11.154 19.929 1.00 0.00 C ATOM 1612 ND1 HIS A 106 -2.809 12.361 20.271 1.00 0.00 N flip ATOM 1613 CD2 HIS A 106 -1.584 10.711 21.061 1.00 0.00 C flip ATOM 1614 CE1 HIS A 106 -2.495 12.664 21.593 1.00 0.00 C flip ATOM 1615 NE2 HIS A 106 -1.756 11.637 22.022 1.00 0.00 N flip ATOM 0 H HIS A 106 -0.779 12.018 16.864 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.185 9.862 18.856 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -2.927 10.839 17.924 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -2.663 9.364 18.833 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.028 9.790 21.155 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -2.786 13.541 22.152 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -1.369 11.564 22.963 1.00 0.00 H new ATOM 1623 N HIS A 107 -0.535 8.107 17.084 1.00 0.00 N ATOM 1624 CA HIS A 107 -0.498 7.128 15.961 1.00 0.00 C ATOM 1625 C HIS A 107 -1.910 6.931 15.402 1.00 0.00 C ATOM 1626 O HIS A 107 -2.110 6.807 14.208 1.00 0.00 O ATOM 1627 CB HIS A 107 0.038 5.795 16.486 1.00 0.00 C ATOM 1628 CG HIS A 107 1.491 5.947 16.843 1.00 0.00 C ATOM 1629 ND1 HIS A 107 2.471 6.116 15.878 1.00 0.00 N ATOM 1630 CD2 HIS A 107 2.148 5.966 18.050 1.00 0.00 C ATOM 1631 CE1 HIS A 107 3.652 6.228 16.513 1.00 0.00 C ATOM 1632 NE2 HIS A 107 3.512 6.143 17.839 1.00 0.00 N ATOM 0 H HIS A 107 -0.314 7.716 18.000 1.00 0.00 H new ATOM 0 HA HIS A 107 0.149 7.500 15.167 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.532 5.480 17.360 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.083 5.019 15.730 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.677 5.860 19.016 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.598 6.369 16.012 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.247 6.196 18.545 1.00 0.00 H new ATOM 1640 N HIS A 108 -2.894 6.899 16.259 1.00 0.00 N ATOM 1641 CA HIS A 108 -4.295 6.709 15.783 1.00 0.00 C ATOM 1642 C HIS A 108 -4.867 8.050 15.314 1.00 0.00 C ATOM 1643 O HIS A 108 -5.227 8.145 14.150 1.00 0.00 O ATOM 1644 CB HIS A 108 -5.152 6.164 16.929 1.00 0.00 C ATOM 1645 CG HIS A 108 -6.564 5.969 16.451 1.00 0.00 C ATOM 1646 ND1 HIS A 108 -6.921 4.924 15.615 1.00 0.00 N ATOM 1647 CD2 HIS A 108 -7.718 6.677 16.679 1.00 0.00 C ATOM 1648 CE1 HIS A 108 -8.238 5.031 15.370 1.00 0.00 C ATOM 1649 NE2 HIS A 108 -8.775 6.084 15.994 1.00 0.00 N ATOM 1650 OXT HIS A 108 -4.940 8.956 16.125 1.00 0.00 O ATOM 0 H HIS A 108 -2.789 6.996 17.269 1.00 0.00 H new ATOM 0 HA HIS A 108 -4.302 6.003 14.953 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.743 5.218 17.285 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.134 6.856 17.771 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -7.794 7.560 17.296 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -8.795 4.349 14.745 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -9.749 6.387 15.973 1.00 0.00 H new TER 1658 HIS A 108