USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1124 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: B 17 HIS : no HD1:sc= -6.02! C(o=-9.5!,f=-5.8!) USER MOD Set 1.2: B 58 THR OG1 : rot -109:sc= -3.53 USER MOD Set 2.1: B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 21 GLN : amide:sc= -3.23! K(o=-3.2!,f=-0.34) USER MOD Set 3.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 21 GLN : amide:sc= -3.2! K(o=-3.2!,f=-0.36) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -6.37! C(o=-9.9!,f=-5!) USER MOD Set 4.2: A 58 THR OG1 : rot -106:sc= -3.5 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -4.26 K(o=-4.3,f=-4.9!) USER MOD Single : A 5 THR OG1 : rot -32:sc= 1.21 USER MOD Single : A 7 SER OG : rot 180:sc= -0.541 USER MOD Single : A 8 SER OG : rot -9:sc= 0.331 USER MOD Single : A 10 GLN : amide:sc= -2.87 K(o=-2.9,f=-6.3!) USER MOD Single : A 13 CYS SG : rot -140:sc= -0.458 USER MOD Single : A 25 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.8) USER MOD Single : A 40 GLN : amide:sc= -6.45! C(o=-6.5!,f=-4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 95:sc= 0.0659 USER MOD Single : A 53 ASN : amide:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.013) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.17) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0152) USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= -1.84 (180deg=-3.91) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -4.07! C(o=-4.1!,f=-4.9!) USER MOD Single : B 5 THR OG1 : rot -77:sc= 1.21 USER MOD Single : B 7 SER OG : rot 180:sc= -0.565 USER MOD Single : B 8 SER OG : rot -24:sc= 0.31 USER MOD Single : B 10 GLN : amide:sc= -3.5 K(o=-3.5,f=-6.4!) USER MOD Single : B 13 CYS SG : rot -142:sc= -0.209 USER MOD Single : B 25 GLN : amide:sc= -0.839 K(o=-0.84,f=-2.4) USER MOD Single : B 40 GLN : amide:sc= -6.68! C(o=-6.7!,f=-4.5!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 90:sc= 0.0745 USER MOD Single : B 53 ASN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.012) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -1.94 K(o=-1.9,f=-0.23) USER MOD Single : B 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.014) USER MOD Single : B 70 LYS NZ :NH3+ 151:sc= -1.91 (180deg=-4) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -6.452 7.603 18.032 1.00 0.00 N ATOM 31 CA SER A 3 -5.066 7.993 17.833 1.00 0.00 C ATOM 32 C SER A 3 -4.460 7.152 16.707 1.00 0.00 C ATOM 33 O SER A 3 -4.102 7.727 15.669 1.00 0.00 O ATOM 34 CB SER A 3 -4.248 7.830 19.115 1.00 0.00 C ATOM 35 OG SER A 3 -4.153 9.049 19.847 1.00 0.00 O ATOM 0 HA SER A 3 -5.040 9.048 17.560 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.706 7.065 19.742 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.247 7.479 18.864 1.00 0.00 H new ATOM 0 HG SER A 3 -3.625 8.903 20.659 1.00 0.00 H new ATOM 41 N ASN A 4 -4.362 5.829 16.930 1.00 0.00 N ATOM 42 CA ASN A 4 -3.806 4.921 15.942 1.00 0.00 C ATOM 43 C ASN A 4 -4.787 4.778 14.777 1.00 0.00 C ATOM 44 O ASN A 4 -4.331 4.571 13.643 1.00 0.00 O ATOM 45 CB ASN A 4 -3.575 3.531 16.539 1.00 0.00 C ATOM 46 CG ASN A 4 -2.095 3.147 16.479 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.215 3.983 16.361 1.00 0.00 O ATOM 48 ND2 ASN A 4 -1.872 1.839 16.563 1.00 0.00 N ATOM 0 H ASN A 4 -4.665 5.375 17.792 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.854 5.332 15.605 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.917 3.514 17.574 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.168 2.795 15.996 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.917 1.481 16.530 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.656 1.193 16.661 1.00 0.00 H new ATOM 55 N THR A 5 -6.094 4.890 15.074 1.00 0.00 N ATOM 56 CA THR A 5 -7.127 4.774 14.059 1.00 0.00 C ATOM 57 C THR A 5 -6.883 5.819 12.967 1.00 0.00 C ATOM 58 O THR A 5 -6.596 5.423 11.828 1.00 0.00 O ATOM 59 CB THR A 5 -8.494 4.911 14.734 1.00 0.00 C ATOM 60 OG1 THR A 5 -8.527 3.837 15.671 1.00 0.00 O ATOM 61 CG2 THR A 5 -9.650 4.609 13.780 1.00 0.00 C ATOM 0 H THR A 5 -6.449 5.061 16.015 1.00 0.00 H new ATOM 0 HA THR A 5 -7.101 3.800 13.571 1.00 0.00 H new ATOM 0 HB THR A 5 -8.604 5.921 15.130 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.021 3.077 15.315 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.597 4.721 14.309 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.619 5.303 12.940 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.559 3.588 13.410 1.00 0.00 H new ATOM 69 N VAL A 6 -6.998 7.108 13.331 1.00 0.00 N ATOM 70 CA VAL A 6 -6.790 8.195 12.388 1.00 0.00 C ATOM 71 C VAL A 6 -5.514 7.933 11.587 1.00 0.00 C ATOM 72 O VAL A 6 -5.547 8.089 10.358 1.00 0.00 O ATOM 73 CB VAL A 6 -6.765 9.533 13.131 1.00 0.00 C ATOM 74 CG1 VAL A 6 -8.183 9.994 13.477 1.00 0.00 C ATOM 75 CG2 VAL A 6 -5.895 9.448 14.386 1.00 0.00 C ATOM 0 H VAL A 6 -7.235 7.412 14.275 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.615 8.247 11.677 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.323 10.276 12.467 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.137 10.947 14.004 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.760 10.114 12.560 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.662 9.250 14.113 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.895 10.412 14.895 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.294 8.685 15.054 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.875 9.186 14.105 1.00 0.00 H new ATOM 85 N SER A 7 -4.432 7.547 12.287 1.00 0.00 N ATOM 86 CA SER A 7 -3.159 7.266 11.644 1.00 0.00 C ATOM 87 C SER A 7 -3.391 6.349 10.441 1.00 0.00 C ATOM 88 O SER A 7 -3.015 6.735 9.325 1.00 0.00 O ATOM 89 CB SER A 7 -2.169 6.624 12.618 1.00 0.00 C ATOM 90 OG SER A 7 -0.830 6.686 12.137 1.00 0.00 O ATOM 0 H SER A 7 -4.426 7.426 13.300 1.00 0.00 H new ATOM 0 HA SER A 7 -2.725 8.208 11.310 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.231 7.128 13.583 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.447 5.583 12.784 1.00 0.00 H new ATOM 0 HG SER A 7 -0.229 6.267 12.788 1.00 0.00 H new ATOM 96 N SER A 8 -3.996 5.173 10.689 1.00 0.00 N ATOM 97 CA SER A 8 -4.273 4.213 9.634 1.00 0.00 C ATOM 98 C SER A 8 -5.014 4.915 8.494 1.00 0.00 C ATOM 99 O SER A 8 -4.701 4.639 7.327 1.00 0.00 O ATOM 100 CB SER A 8 -5.094 3.031 10.153 1.00 0.00 C ATOM 101 OG SER A 8 -4.599 1.785 9.672 1.00 0.00 O ATOM 0 H SER A 8 -4.298 4.875 11.617 1.00 0.00 H new ATOM 0 HA SER A 8 -3.325 3.817 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.080 3.030 11.243 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.134 3.150 9.848 1.00 0.00 H new ATOM 0 HG SER A 8 -3.916 1.946 8.988 1.00 0.00 H new ATOM 107 N PHE A 9 -5.969 5.795 8.847 1.00 0.00 N ATOM 108 CA PHE A 9 -6.745 6.526 7.862 1.00 0.00 C ATOM 109 C PHE A 9 -5.795 7.247 6.903 1.00 0.00 C ATOM 110 O PHE A 9 -5.860 6.978 5.694 1.00 0.00 O ATOM 111 CB PHE A 9 -7.661 7.535 8.583 1.00 0.00 C ATOM 112 CG PHE A 9 -9.127 7.466 8.174 1.00 0.00 C ATOM 113 CD1 PHE A 9 -9.900 6.320 8.472 1.00 0.00 C ATOM 114 CD2 PHE A 9 -9.721 8.550 7.487 1.00 0.00 C ATOM 115 CE1 PHE A 9 -11.255 6.259 8.087 1.00 0.00 C ATOM 116 CE2 PHE A 9 -11.078 8.488 7.103 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.845 7.343 7.403 1.00 0.00 C ATOM 0 H PHE A 9 -6.213 6.009 9.814 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.366 5.838 7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.589 7.367 9.658 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.291 8.542 8.392 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.451 5.489 8.996 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.135 9.427 7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.842 5.382 8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.529 9.318 6.579 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.883 7.296 7.109 1.00 0.00 H new ATOM 127 N GLN A 10 -4.945 8.133 7.451 1.00 0.00 N ATOM 128 CA GLN A 10 -3.992 8.882 6.649 1.00 0.00 C ATOM 129 C GLN A 10 -3.223 7.917 5.743 1.00 0.00 C ATOM 130 O GLN A 10 -3.216 8.134 4.523 1.00 0.00 O ATOM 131 CB GLN A 10 -3.034 9.691 7.526 1.00 0.00 C ATOM 132 CG GLN A 10 -3.727 10.931 8.096 1.00 0.00 C ATOM 133 CD GLN A 10 -3.550 11.008 9.613 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.614 10.473 10.183 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.498 11.704 10.234 1.00 0.00 N ATOM 0 H GLN A 10 -4.907 8.340 8.449 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.539 9.596 6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.668 9.068 8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.166 9.992 6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.316 11.828 7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.789 10.904 7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.255 12.127 9.697 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.468 11.815 11.248 1.00 0.00 H new ATOM 144 N VAL A 11 -2.602 6.890 6.348 1.00 0.00 N ATOM 145 CA VAL A 11 -1.839 5.903 5.602 1.00 0.00 C ATOM 146 C VAL A 11 -2.670 5.418 4.411 1.00 0.00 C ATOM 147 O VAL A 11 -2.252 5.651 3.267 1.00 0.00 O ATOM 148 CB VAL A 11 -1.403 4.768 6.528 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.807 3.607 5.731 1.00 0.00 C ATOM 150 CG2 VAL A 11 -0.416 5.270 7.585 1.00 0.00 C ATOM 0 H VAL A 11 -2.620 6.731 7.355 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.926 6.347 5.204 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.289 4.400 7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.505 2.813 6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.553 3.223 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.063 3.956 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.122 4.442 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.467 5.678 7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.889 6.047 8.185 1.00 0.00 H new ATOM 160 N ASP A 12 -3.809 4.764 4.699 1.00 0.00 N ATOM 161 CA ASP A 12 -4.686 4.252 3.659 1.00 0.00 C ATOM 162 C ASP A 12 -4.738 5.253 2.503 1.00 0.00 C ATOM 163 O ASP A 12 -4.438 4.857 1.367 1.00 0.00 O ATOM 164 CB ASP A 12 -6.110 4.063 4.185 1.00 0.00 C ATOM 165 CG ASP A 12 -6.867 2.874 3.588 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.581 2.433 2.465 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.799 2.390 4.337 1.00 0.00 O ATOM 0 H ASP A 12 -4.135 4.583 5.649 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.292 3.291 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.068 3.942 5.267 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.678 4.972 3.988 1.00 0.00 H new ATOM 172 N CYS A 13 -5.111 6.508 2.810 1.00 0.00 N ATOM 173 CA CYS A 13 -5.200 7.553 1.803 1.00 0.00 C ATOM 174 C CYS A 13 -3.927 7.547 0.956 1.00 0.00 C ATOM 175 O CYS A 13 -4.036 7.414 -0.272 1.00 0.00 O ATOM 176 CB CYS A 13 -5.453 8.918 2.445 1.00 0.00 C ATOM 177 SG CYS A 13 -6.994 9.730 1.929 1.00 0.00 S ATOM 0 H CYS A 13 -5.354 6.813 3.753 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.051 7.355 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.468 8.797 3.528 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.616 9.575 2.209 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.782 11.003 1.770 1.00 0.00 H new ATOM 183 N PHE A 14 -2.763 7.690 1.615 1.00 0.00 N ATOM 184 CA PHE A 14 -1.484 7.702 0.926 1.00 0.00 C ATOM 185 C PHE A 14 -1.390 6.478 0.013 1.00 0.00 C ATOM 186 O PHE A 14 -1.019 6.642 -1.158 1.00 0.00 O ATOM 187 CB PHE A 14 -0.347 7.697 1.966 1.00 0.00 C ATOM 188 CG PHE A 14 1.055 7.770 1.376 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.536 8.989 0.843 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.885 6.626 1.363 1.00 0.00 C ATOM 191 CE1 PHE A 14 2.836 9.060 0.299 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.186 6.698 0.819 1.00 0.00 C ATOM 193 CZ PHE A 14 3.661 7.916 0.286 1.00 0.00 C ATOM 0 H PHE A 14 -2.694 7.798 2.627 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.394 8.600 0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.487 8.541 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.427 6.791 2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.907 9.867 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.523 5.694 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.200 9.992 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.817 5.822 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.655 7.972 -0.131 1.00 0.00 H new ATOM 203 N LEU A 15 -1.722 5.293 0.558 1.00 0.00 N ATOM 204 CA LEU A 15 -1.674 4.056 -0.201 1.00 0.00 C ATOM 205 C LEU A 15 -2.492 4.219 -1.485 1.00 0.00 C ATOM 206 O LEU A 15 -2.079 3.674 -2.520 1.00 0.00 O ATOM 207 CB LEU A 15 -2.120 2.877 0.666 1.00 0.00 C ATOM 208 CG LEU A 15 -1.425 2.742 2.022 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.614 1.336 2.597 1.00 0.00 C ATOM 210 CD2 LEU A 15 0.052 3.127 1.922 1.00 0.00 C ATOM 0 H LEU A 15 -2.026 5.179 1.525 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.650 3.832 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.193 2.963 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.959 1.957 0.104 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.893 3.440 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.110 1.266 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.678 1.136 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.189 0.603 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.522 3.022 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.551 2.473 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.137 4.161 1.588 1.00 0.00 H new ATOM 222 N TRP A 16 -3.614 4.954 -1.394 1.00 0.00 N ATOM 223 CA TRP A 16 -4.478 5.184 -2.539 1.00 0.00 C ATOM 224 C TRP A 16 -3.749 6.069 -3.552 1.00 0.00 C ATOM 225 O TRP A 16 -3.856 5.797 -4.758 1.00 0.00 O ATOM 226 CB TRP A 16 -5.815 5.772 -2.085 1.00 0.00 C ATOM 227 CG TRP A 16 -6.891 5.786 -3.174 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.897 4.919 -3.350 1.00 0.00 C ATOM 229 CD2 TRP A 16 -7.028 6.754 -4.235 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.669 5.256 -4.443 1.00 0.00 N ATOM 231 CE2 TRP A 16 -8.123 6.408 -4.998 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.251 7.885 -4.541 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.542 7.138 -6.116 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.681 8.606 -5.661 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.783 8.270 -6.439 1.00 0.00 C ATOM 0 H TRP A 16 -3.935 5.395 -0.532 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.709 4.241 -3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.182 5.199 -1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.652 6.792 -1.736 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.081 4.064 -2.716 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.489 4.753 -4.781 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.390 8.175 -3.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.403 6.845 -6.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.118 9.484 -5.940 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -8.053 8.879 -7.289 1.00 0.00 H new ATOM 246 N HIS A 17 -3.034 7.093 -3.053 1.00 0.00 N ATOM 247 CA HIS A 17 -2.297 8.007 -3.908 1.00 0.00 C ATOM 248 C HIS A 17 -1.219 7.230 -4.668 1.00 0.00 C ATOM 249 O HIS A 17 -1.185 7.325 -5.903 1.00 0.00 O ATOM 250 CB HIS A 17 -1.727 9.174 -3.100 1.00 0.00 C ATOM 251 CG HIS A 17 -2.743 10.237 -2.755 1.00 0.00 C ATOM 252 ND1 HIS A 17 -2.685 11.523 -3.262 1.00 0.00 N ATOM 253 CD2 HIS A 17 -3.844 10.189 -1.952 1.00 0.00 C ATOM 254 CE1 HIS A 17 -3.708 12.211 -2.777 1.00 0.00 C ATOM 255 NE2 HIS A 17 -4.425 11.383 -1.965 1.00 0.00 N ATOM 0 H HIS A 17 -2.958 7.299 -2.057 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.971 8.449 -4.642 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.294 8.787 -2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.915 9.632 -3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.186 9.326 -1.399 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.934 13.246 -2.988 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.269 11.639 -1.452 1.00 0.00 H new ATOM 263 N VAL A 18 -0.375 6.489 -3.927 1.00 0.00 N ATOM 264 CA VAL A 18 0.690 5.705 -4.527 1.00 0.00 C ATOM 265 C VAL A 18 0.093 4.736 -5.548 1.00 0.00 C ATOM 266 O VAL A 18 0.712 4.533 -6.603 1.00 0.00 O ATOM 267 CB VAL A 18 1.498 4.999 -3.436 1.00 0.00 C ATOM 268 CG1 VAL A 18 2.283 6.009 -2.595 1.00 0.00 C ATOM 269 CG2 VAL A 18 0.593 4.138 -2.554 1.00 0.00 C ATOM 0 H VAL A 18 -0.420 6.425 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 18 1.385 6.353 -5.062 1.00 0.00 H new ATOM 0 HB VAL A 18 2.215 4.339 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.849 5.481 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.970 6.561 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.590 6.705 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.192 3.647 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.159 4.768 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.099 3.383 -3.166 1.00 0.00 H new ATOM 279 N ARG A 19 -1.081 4.166 -5.222 1.00 0.00 N ATOM 280 CA ARG A 19 -1.754 3.228 -6.105 1.00 0.00 C ATOM 281 C ARG A 19 -2.147 3.945 -7.399 1.00 0.00 C ATOM 282 O ARG A 19 -1.782 3.456 -8.478 1.00 0.00 O ATOM 283 CB ARG A 19 -3.007 2.641 -5.454 1.00 0.00 C ATOM 284 CG ARG A 19 -2.665 1.407 -4.618 1.00 0.00 C ATOM 285 CD ARG A 19 -3.925 0.610 -4.272 1.00 0.00 C ATOM 286 NE ARG A 19 -3.737 -0.104 -2.991 1.00 0.00 N ATOM 287 CZ ARG A 19 -4.285 -1.304 -2.705 1.00 0.00 C ATOM 288 NH1 ARG A 19 -5.051 -1.904 -3.626 1.00 0.00 N ATOM 289 NH2 ARG A 19 -4.067 -1.886 -1.518 1.00 0.00 N ATOM 0 H ARG A 19 -1.575 4.347 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.066 2.409 -6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.479 3.393 -4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.730 2.373 -6.225 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.969 0.773 -5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.161 1.713 -3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.781 1.281 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.143 -0.103 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.157 0.338 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.212 -1.454 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.473 -2.811 -3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.483 -1.422 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.485 -2.793 -1.310 1.00 0.00 H new ATOM 303 N LYS A 20 -2.871 5.070 -7.267 1.00 0.00 N ATOM 304 CA LYS A 20 -3.308 5.843 -8.418 1.00 0.00 C ATOM 305 C LYS A 20 -2.110 6.112 -9.331 1.00 0.00 C ATOM 306 O LYS A 20 -2.297 6.139 -10.556 1.00 0.00 O ATOM 307 CB LYS A 20 -4.034 7.113 -7.966 1.00 0.00 C ATOM 308 CG LYS A 20 -3.273 8.365 -8.405 1.00 0.00 C ATOM 309 CD LYS A 20 -3.571 8.704 -9.867 1.00 0.00 C ATOM 310 CE LYS A 20 -2.367 9.373 -10.531 1.00 0.00 C ATOM 311 NZ LYS A 20 -2.363 10.819 -10.254 1.00 0.00 N ATOM 0 H LYS A 20 -3.161 5.456 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.035 5.278 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.040 7.129 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.140 7.109 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.551 9.206 -7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.202 8.208 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.831 7.795 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.435 9.366 -9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.445 8.924 -10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.397 9.203 -11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.539 11.258 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.235 11.246 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.312 10.976 -9.227 1.00 0.00 H new ATOM 325 N GLN A 21 -0.924 6.302 -8.727 1.00 0.00 N ATOM 326 CA GLN A 21 0.290 6.565 -9.481 1.00 0.00 C ATOM 327 C GLN A 21 0.759 5.274 -10.153 1.00 0.00 C ATOM 328 O GLN A 21 1.290 5.349 -11.270 1.00 0.00 O ATOM 329 CB GLN A 21 1.388 7.151 -8.591 1.00 0.00 C ATOM 330 CG GLN A 21 2.109 8.303 -9.295 1.00 0.00 C ATOM 331 CD GLN A 21 1.482 9.649 -8.927 1.00 0.00 C ATOM 332 OE1 GLN A 21 2.115 10.691 -8.974 1.00 0.00 O ATOM 333 NE2 GLN A 21 0.206 9.568 -8.561 1.00 0.00 N ATOM 0 H GLN A 21 -0.792 6.276 -7.716 1.00 0.00 H new ATOM 0 HA GLN A 21 0.071 7.309 -10.247 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.953 7.506 -7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.105 6.372 -8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.163 8.301 -9.017 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.063 8.160 -10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.263 8.662 -8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.303 10.411 -8.297 1.00 0.00 H new ATOM 342 N VAL A 22 0.558 4.133 -9.469 1.00 0.00 N ATOM 343 CA VAL A 22 0.957 2.839 -9.996 1.00 0.00 C ATOM 344 C VAL A 22 0.214 2.575 -11.308 1.00 0.00 C ATOM 345 O VAL A 22 0.859 2.143 -12.274 1.00 0.00 O ATOM 346 CB VAL A 22 0.721 1.751 -8.947 1.00 0.00 C ATOM 347 CG1 VAL A 22 -0.453 0.853 -9.343 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.988 0.925 -8.718 1.00 0.00 C ATOM 0 H VAL A 22 0.120 4.093 -8.549 1.00 0.00 H new ATOM 0 HA VAL A 22 2.024 2.831 -10.219 1.00 0.00 H new ATOM 0 HB VAL A 22 0.467 2.242 -8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.599 0.088 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.358 1.455 -9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.240 0.376 -10.299 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.792 0.159 -7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.286 0.450 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.789 1.577 -8.370 1.00 0.00 H new ATOM 358 N VAL A 23 -1.105 2.837 -11.315 1.00 0.00 N ATOM 359 CA VAL A 23 -1.925 2.630 -12.498 1.00 0.00 C ATOM 360 C VAL A 23 -1.648 3.747 -13.507 1.00 0.00 C ATOM 361 O VAL A 23 -1.606 3.457 -14.711 1.00 0.00 O ATOM 362 CB VAL A 23 -3.399 2.534 -12.102 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.216 1.842 -13.196 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.561 1.816 -10.761 1.00 0.00 C ATOM 0 H VAL A 23 -1.617 3.193 -10.508 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.670 1.686 -12.980 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.782 3.548 -11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.261 1.786 -12.890 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.139 2.411 -14.122 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.831 0.835 -13.356 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.619 1.761 -10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.153 0.808 -10.836 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.027 2.366 -9.987 1.00 0.00 H new ATOM 374 N ASP A 24 -1.468 4.982 -13.004 1.00 0.00 N ATOM 375 CA ASP A 24 -1.199 6.128 -13.855 1.00 0.00 C ATOM 376 C ASP A 24 0.191 5.981 -14.476 1.00 0.00 C ATOM 377 O ASP A 24 0.637 6.919 -15.153 1.00 0.00 O ATOM 378 CB ASP A 24 -1.221 7.429 -13.050 1.00 0.00 C ATOM 379 CG ASP A 24 -1.115 8.707 -13.884 1.00 0.00 C ATOM 380 OD1 ASP A 24 -2.127 9.255 -14.345 1.00 0.00 O ATOM 381 OD2 ASP A 24 0.085 9.147 -14.056 1.00 0.00 O ATOM 0 H ASP A 24 -1.506 5.200 -12.008 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.971 6.166 -14.624 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.145 7.466 -12.472 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.398 7.410 -12.335 1.00 0.00 H new ATOM 386 N GLN A 25 0.839 4.827 -14.237 1.00 0.00 N ATOM 387 CA GLN A 25 2.165 4.563 -14.770 1.00 0.00 C ATOM 388 C GLN A 25 2.144 3.248 -15.553 1.00 0.00 C ATOM 389 O GLN A 25 3.219 2.667 -15.759 1.00 0.00 O ATOM 390 CB GLN A 25 3.218 4.522 -13.661 1.00 0.00 C ATOM 391 CG GLN A 25 3.841 5.904 -13.446 1.00 0.00 C ATOM 392 CD GLN A 25 5.367 5.813 -13.383 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.941 4.790 -13.049 1.00 0.00 O ATOM 394 NE2 GLN A 25 5.990 6.938 -13.723 1.00 0.00 N ATOM 0 H GLN A 25 0.455 4.067 -13.675 1.00 0.00 H new ATOM 0 HA GLN A 25 2.440 5.377 -15.441 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.761 4.176 -12.733 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.996 3.804 -13.920 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.546 6.570 -14.257 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.460 6.339 -12.522 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.449 7.759 -13.993 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.009 6.979 -13.714 1.00 0.00 H new ATOM 403 N GLU A 26 0.939 2.813 -15.966 1.00 0.00 N ATOM 404 CA GLU A 26 0.783 1.580 -16.718 1.00 0.00 C ATOM 405 C GLU A 26 1.789 0.545 -16.208 1.00 0.00 C ATOM 406 O GLU A 26 2.351 -0.189 -17.035 1.00 0.00 O ATOM 407 CB GLU A 26 0.951 1.813 -18.220 1.00 0.00 C ATOM 408 CG GLU A 26 2.426 1.747 -18.624 1.00 0.00 C ATOM 409 CD GLU A 26 2.769 2.853 -19.624 1.00 0.00 C ATOM 410 OE1 GLU A 26 1.866 3.084 -20.514 1.00 0.00 O ATOM 411 OE2 GLU A 26 3.853 3.450 -19.540 1.00 0.00 O ATOM 0 H GLU A 26 0.065 3.307 -15.785 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.229 1.204 -16.566 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.385 1.064 -18.773 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.540 2.786 -18.489 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.054 1.844 -17.739 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.643 0.774 -19.064 1.00 0.00 H new ATOM 418 N LEU A 27 1.993 0.508 -14.879 1.00 0.00 N ATOM 419 CA LEU A 27 2.920 -0.428 -14.268 1.00 0.00 C ATOM 420 C LEU A 27 2.135 -1.493 -13.501 1.00 0.00 C ATOM 421 O LEU A 27 2.728 -2.520 -13.141 1.00 0.00 O ATOM 422 CB LEU A 27 3.945 0.316 -13.410 1.00 0.00 C ATOM 423 CG LEU A 27 3.623 0.420 -11.918 1.00 0.00 C ATOM 424 CD1 LEU A 27 4.307 -0.700 -11.131 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.982 1.804 -11.374 1.00 0.00 C ATOM 0 H LEU A 27 1.521 1.123 -14.216 1.00 0.00 H new ATOM 0 HA LEU A 27 3.495 -0.947 -15.035 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.909 -0.180 -13.519 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.059 1.324 -13.808 1.00 0.00 H new ATOM 0 HG LEU A 27 2.548 0.294 -11.791 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.062 -0.603 -10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.960 -1.666 -11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.387 -0.629 -11.261 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.743 1.851 -10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.048 1.985 -11.514 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.412 2.564 -11.908 1.00 0.00 H new ATOM 437 N GLY A 28 0.835 -1.232 -13.269 1.00 0.00 N ATOM 438 CA GLY A 28 -0.021 -2.161 -12.551 1.00 0.00 C ATOM 439 C GLY A 28 -0.138 -3.461 -13.350 1.00 0.00 C ATOM 440 O GLY A 28 0.753 -3.732 -14.170 1.00 0.00 O ATOM 0 H GLY A 28 0.365 -0.380 -13.574 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.391 -2.364 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.008 -1.723 -12.401 1.00 0.00 H new ATOM 444 N ASP A 29 -1.214 -4.227 -13.100 1.00 0.00 N ATOM 445 CA ASP A 29 -1.442 -5.485 -13.791 1.00 0.00 C ATOM 446 C ASP A 29 -2.920 -5.593 -14.172 1.00 0.00 C ATOM 447 O ASP A 29 -3.207 -5.915 -15.333 1.00 0.00 O ATOM 448 CB ASP A 29 -1.096 -6.676 -12.895 1.00 0.00 C ATOM 449 CG ASP A 29 -1.595 -8.031 -13.400 1.00 0.00 C ATOM 450 OD1 ASP A 29 -1.576 -8.309 -14.608 1.00 0.00 O ATOM 451 OD2 ASP A 29 -2.022 -8.831 -12.482 1.00 0.00 O ATOM 0 H ASP A 29 -1.935 -3.986 -12.420 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.806 -5.503 -14.676 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.013 -6.724 -12.782 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.513 -6.499 -11.904 1.00 0.00 H new ATOM 456 N ALA A 30 -3.812 -5.326 -13.201 1.00 0.00 N ATOM 457 CA ALA A 30 -5.245 -5.393 -13.434 1.00 0.00 C ATOM 458 C ALA A 30 -5.979 -5.310 -12.094 1.00 0.00 C ATOM 459 O ALA A 30 -6.997 -4.606 -12.021 1.00 0.00 O ATOM 460 CB ALA A 30 -5.606 -6.751 -14.037 1.00 0.00 C ATOM 0 H ALA A 30 -3.554 -5.063 -12.250 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.525 -4.576 -14.099 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.681 -6.798 -14.210 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.080 -6.881 -14.983 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.315 -7.544 -13.348 1.00 0.00 H new ATOM 466 N PRO A 31 -5.457 -6.019 -11.076 1.00 0.00 N ATOM 467 CA PRO A 31 -6.031 -6.049 -9.742 1.00 0.00 C ATOM 468 C PRO A 31 -5.741 -4.747 -8.992 1.00 0.00 C ATOM 469 O PRO A 31 -6.503 -4.414 -8.072 1.00 0.00 O ATOM 470 CB PRO A 31 -5.415 -7.269 -9.076 1.00 0.00 C ATOM 471 CG PRO A 31 -4.177 -7.607 -9.890 1.00 0.00 C ATOM 472 CD PRO A 31 -4.256 -6.838 -11.199 1.00 0.00 C ATOM 0 HA PRO A 31 -7.118 -6.125 -9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.155 -7.058 -8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.116 -8.104 -9.066 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.274 -7.337 -9.342 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.126 -8.679 -10.080 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.370 -6.221 -11.350 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.323 -7.514 -12.052 1.00 0.00 H new ATOM 480 N PHE A 32 -4.663 -4.049 -9.391 1.00 0.00 N ATOM 481 CA PHE A 32 -4.279 -2.798 -8.761 1.00 0.00 C ATOM 482 C PHE A 32 -5.330 -1.730 -9.073 1.00 0.00 C ATOM 483 O PHE A 32 -5.693 -0.975 -8.159 1.00 0.00 O ATOM 484 CB PHE A 32 -2.894 -2.369 -9.283 1.00 0.00 C ATOM 485 CG PHE A 32 -1.717 -2.918 -8.488 1.00 0.00 C ATOM 486 CD1 PHE A 32 -1.921 -3.920 -7.510 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.413 -2.422 -8.718 1.00 0.00 C ATOM 488 CE1 PHE A 32 -0.829 -4.423 -6.771 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.679 -2.926 -7.979 1.00 0.00 C ATOM 490 CZ PHE A 32 0.472 -3.927 -7.006 1.00 0.00 C ATOM 0 H PHE A 32 -4.048 -4.341 -10.150 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.221 -2.925 -7.680 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.796 -2.690 -10.320 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.841 -1.280 -9.280 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.915 -4.301 -7.329 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.252 -1.655 -9.461 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.988 -5.188 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.674 -2.545 -8.158 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.308 -4.313 -6.442 1.00 0.00 H new ATOM 500 N LEU A 33 -5.791 -1.691 -10.335 1.00 0.00 N ATOM 501 CA LEU A 33 -6.791 -0.725 -10.761 1.00 0.00 C ATOM 502 C LEU A 33 -8.158 -1.142 -10.217 1.00 0.00 C ATOM 503 O LEU A 33 -8.882 -0.271 -9.710 1.00 0.00 O ATOM 504 CB LEU A 33 -6.759 -0.554 -12.281 1.00 0.00 C ATOM 505 CG LEU A 33 -7.845 0.343 -12.878 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.980 1.643 -12.082 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.584 0.605 -14.362 1.00 0.00 C ATOM 0 H LEU A 33 -5.479 -2.324 -11.072 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.570 0.260 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.787 -0.149 -12.561 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.837 -1.540 -12.739 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.799 -0.180 -12.806 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.758 2.263 -12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.245 1.412 -11.050 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.032 2.181 -12.101 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.370 1.245 -14.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.619 1.098 -14.480 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.576 -0.341 -14.903 1.00 0.00 H new ATOM 519 N ASP A 34 -8.482 -2.442 -10.331 1.00 0.00 N ATOM 520 CA ASP A 34 -9.751 -2.965 -9.854 1.00 0.00 C ATOM 521 C ASP A 34 -9.879 -2.693 -8.353 1.00 0.00 C ATOM 522 O ASP A 34 -10.847 -2.029 -7.956 1.00 0.00 O ATOM 523 CB ASP A 34 -9.839 -4.477 -10.069 1.00 0.00 C ATOM 524 CG ASP A 34 -10.013 -4.915 -11.525 1.00 0.00 C ATOM 525 OD1 ASP A 34 -9.756 -4.004 -12.402 1.00 0.00 O ATOM 526 OD2 ASP A 34 -10.376 -6.066 -11.807 1.00 0.00 O ATOM 0 H ASP A 34 -7.873 -3.143 -10.753 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.549 -2.474 -10.411 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.935 -4.938 -9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.676 -4.863 -9.487 1.00 0.00 H new ATOM 531 N ARG A 35 -8.916 -3.202 -7.565 1.00 0.00 N ATOM 532 CA ARG A 35 -8.921 -3.014 -6.124 1.00 0.00 C ATOM 533 C ARG A 35 -8.947 -1.518 -5.810 1.00 0.00 C ATOM 534 O ARG A 35 -9.751 -1.108 -4.959 1.00 0.00 O ATOM 535 CB ARG A 35 -7.691 -3.645 -5.469 1.00 0.00 C ATOM 536 CG ARG A 35 -7.859 -5.160 -5.330 1.00 0.00 C ATOM 537 CD ARG A 35 -6.520 -5.879 -5.506 1.00 0.00 C ATOM 538 NE ARG A 35 -5.419 -5.030 -4.999 1.00 0.00 N ATOM 539 CZ ARG A 35 -4.389 -5.490 -4.257 1.00 0.00 C ATOM 540 NH1 ARG A 35 -4.341 -6.792 -3.950 1.00 0.00 N ATOM 541 NH2 ARG A 35 -3.430 -4.655 -3.835 1.00 0.00 N ATOM 0 H ARG A 35 -8.127 -3.747 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.808 -3.504 -5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.805 -3.427 -6.066 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.530 -3.202 -4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.276 -5.395 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.570 -5.520 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.534 -6.828 -4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.357 -6.109 -6.559 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.440 -4.035 -5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.076 -7.420 -4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.570 -7.156 -3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.475 -3.664 -4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.655 -5.010 -3.275 1.00 0.00 H new ATOM 555 N LEU A 36 -8.083 -0.744 -6.489 1.00 0.00 N ATOM 556 CA LEU A 36 -8.007 0.692 -6.283 1.00 0.00 C ATOM 557 C LEU A 36 -9.388 1.310 -6.517 1.00 0.00 C ATOM 558 O LEU A 36 -9.780 2.190 -5.737 1.00 0.00 O ATOM 559 CB LEU A 36 -6.905 1.302 -7.151 1.00 0.00 C ATOM 560 CG LEU A 36 -6.885 2.830 -7.236 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.724 3.453 -5.850 1.00 0.00 C ATOM 562 CD2 LEU A 36 -5.809 3.310 -8.211 1.00 0.00 C ATOM 0 H LEU A 36 -7.429 -1.102 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.728 0.914 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.941 0.967 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.003 0.903 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.846 3.164 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.713 4.539 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.557 3.149 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.788 3.115 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.816 4.399 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.832 2.966 -7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.012 2.907 -9.203 1.00 0.00 H new ATOM 574 N ARG A 37 -10.084 0.845 -7.570 1.00 0.00 N ATOM 575 CA ARG A 37 -11.406 1.348 -7.901 1.00 0.00 C ATOM 576 C ARG A 37 -12.342 1.130 -6.712 1.00 0.00 C ATOM 577 O ARG A 37 -12.943 2.109 -6.246 1.00 0.00 O ATOM 578 CB ARG A 37 -11.984 0.646 -9.131 1.00 0.00 C ATOM 579 CG ARG A 37 -11.998 1.584 -10.341 1.00 0.00 C ATOM 580 CD ARG A 37 -11.847 0.798 -11.645 1.00 0.00 C ATOM 581 NE ARG A 37 -13.123 0.132 -11.988 1.00 0.00 N ATOM 582 CZ ARG A 37 -13.212 -1.075 -12.585 1.00 0.00 C ATOM 583 NH1 ARG A 37 -12.085 -1.730 -12.897 1.00 0.00 N ATOM 584 NH2 ARG A 37 -14.408 -1.610 -12.863 1.00 0.00 N ATOM 0 H ARG A 37 -9.742 0.120 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.316 2.411 -8.127 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.392 -0.240 -9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.998 0.306 -8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.931 2.148 -10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.189 2.309 -10.253 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.550 1.469 -12.451 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.056 0.055 -11.541 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.991 0.616 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.178 -1.315 -12.683 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.134 -2.643 -13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.261 -1.105 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.466 -2.523 -13.314 1.00 0.00 H new ATOM 598 N ARG A 38 -12.447 -0.130 -6.250 1.00 0.00 N ATOM 599 CA ARG A 38 -13.302 -0.469 -5.126 1.00 0.00 C ATOM 600 C ARG A 38 -12.817 0.273 -3.879 1.00 0.00 C ATOM 601 O ARG A 38 -13.648 0.564 -3.005 1.00 0.00 O ATOM 602 CB ARG A 38 -13.298 -1.973 -4.849 1.00 0.00 C ATOM 603 CG ARG A 38 -13.548 -2.769 -6.132 1.00 0.00 C ATOM 604 CD ARG A 38 -14.257 -4.090 -5.830 1.00 0.00 C ATOM 605 NE ARG A 38 -15.640 -4.054 -6.354 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.356 -5.151 -6.680 1.00 0.00 C ATOM 607 NH1 ARG A 38 -15.797 -6.360 -6.525 1.00 0.00 N ATOM 608 NH2 ARG A 38 -17.605 -5.035 -7.148 1.00 0.00 N ATOM 0 H ARG A 38 -11.944 -0.923 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.321 -0.172 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.340 -2.264 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.065 -2.213 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.152 -2.177 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.600 -2.967 -6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.710 -4.917 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.271 -4.267 -4.755 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.081 -3.142 -6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.846 -6.440 -6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.323 -7.200 -6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.024 -4.112 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.138 -5.870 -7.392 1.00 0.00 H new ATOM 622 N ASP A 39 -11.505 0.561 -3.821 1.00 0.00 N ATOM 623 CA ASP A 39 -10.919 1.262 -2.692 1.00 0.00 C ATOM 624 C ASP A 39 -11.350 2.729 -2.728 1.00 0.00 C ATOM 625 O ASP A 39 -11.505 3.326 -1.652 1.00 0.00 O ATOM 626 CB ASP A 39 -9.391 1.217 -2.748 1.00 0.00 C ATOM 627 CG ASP A 39 -8.695 1.166 -1.387 1.00 0.00 C ATOM 628 OD1 ASP A 39 -9.032 0.338 -0.527 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.756 2.034 -1.221 1.00 0.00 O ATOM 0 H ASP A 39 -10.838 0.313 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.261 0.775 -1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.089 0.344 -3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.036 2.095 -3.288 1.00 0.00 H new ATOM 634 N GLN A 40 -11.532 3.273 -3.946 1.00 0.00 N ATOM 635 CA GLN A 40 -11.942 4.657 -4.117 1.00 0.00 C ATOM 636 C GLN A 40 -13.305 4.866 -3.456 1.00 0.00 C ATOM 637 O GLN A 40 -13.386 5.658 -2.506 1.00 0.00 O ATOM 638 CB GLN A 40 -11.982 5.051 -5.594 1.00 0.00 C ATOM 639 CG GLN A 40 -12.571 6.452 -5.772 1.00 0.00 C ATOM 640 CD GLN A 40 -11.486 7.524 -5.638 1.00 0.00 C ATOM 641 OE1 GLN A 40 -11.184 8.257 -6.566 1.00 0.00 O ATOM 642 NE2 GLN A 40 -10.920 7.573 -4.436 1.00 0.00 N ATOM 0 H GLN A 40 -11.398 2.764 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.207 5.302 -3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.975 5.021 -6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.579 4.328 -6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.045 6.530 -6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.348 6.621 -5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.221 6.930 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.185 8.254 -4.246 1.00 0.00 H new ATOM 651 N LYS A 41 -14.335 4.164 -3.964 1.00 0.00 N ATOM 652 CA LYS A 41 -15.681 4.273 -3.427 1.00 0.00 C ATOM 653 C LYS A 41 -15.642 4.047 -1.914 1.00 0.00 C ATOM 654 O LYS A 41 -16.313 4.795 -1.188 1.00 0.00 O ATOM 655 CB LYS A 41 -16.631 3.328 -4.166 1.00 0.00 C ATOM 656 CG LYS A 41 -17.943 4.034 -4.515 1.00 0.00 C ATOM 657 CD LYS A 41 -19.146 3.247 -3.990 1.00 0.00 C ATOM 658 CE LYS A 41 -19.260 3.373 -2.470 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.665 3.573 -2.074 1.00 0.00 N ATOM 0 H LYS A 41 -14.248 3.517 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.076 5.276 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.154 2.967 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.837 2.455 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.945 5.037 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.022 4.148 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.059 3.615 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.047 2.197 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.866 2.475 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.655 4.210 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.725 3.657 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.029 4.442 -2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.234 2.761 -2.389 1.00 0.00 H new ATOM 673 N SER A 42 -14.869 3.036 -1.477 1.00 0.00 N ATOM 674 CA SER A 42 -14.746 2.717 -0.064 1.00 0.00 C ATOM 675 C SER A 42 -14.143 3.914 0.674 1.00 0.00 C ATOM 676 O SER A 42 -14.594 4.206 1.791 1.00 0.00 O ATOM 677 CB SER A 42 -13.886 1.471 0.155 1.00 0.00 C ATOM 678 OG SER A 42 -14.122 0.878 1.429 1.00 0.00 O ATOM 0 H SER A 42 -14.324 2.432 -2.092 1.00 0.00 H new ATOM 0 HA SER A 42 -15.739 2.504 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.096 0.743 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.833 1.737 0.068 1.00 0.00 H new ATOM 0 HG SER A 42 -13.556 0.085 1.531 1.00 0.00 H new ATOM 684 N LEU A 43 -13.153 4.572 0.045 1.00 0.00 N ATOM 685 CA LEU A 43 -12.497 5.725 0.639 1.00 0.00 C ATOM 686 C LEU A 43 -13.509 6.863 0.786 1.00 0.00 C ATOM 687 O LEU A 43 -13.676 7.363 1.908 1.00 0.00 O ATOM 688 CB LEU A 43 -11.254 6.109 -0.166 1.00 0.00 C ATOM 689 CG LEU A 43 -10.171 6.875 0.595 1.00 0.00 C ATOM 690 CD1 LEU A 43 -9.283 5.920 1.395 1.00 0.00 C ATOM 691 CD2 LEU A 43 -9.355 7.757 -0.352 1.00 0.00 C ATOM 0 H LEU A 43 -12.797 4.316 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.139 5.485 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.811 5.198 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.569 6.714 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.660 7.536 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.521 6.491 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.893 5.372 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.801 5.216 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.592 8.291 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.877 7.134 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.014 8.476 -0.839 1.00 0.00 H new ATOM 703 N ARG A 44 -14.153 7.244 -0.332 1.00 0.00 N ATOM 704 CA ARG A 44 -15.139 8.312 -0.327 1.00 0.00 C ATOM 705 C ARG A 44 -16.032 8.169 0.908 1.00 0.00 C ATOM 706 O ARG A 44 -16.261 9.180 1.589 1.00 0.00 O ATOM 707 CB ARG A 44 -16.009 8.281 -1.584 1.00 0.00 C ATOM 708 CG ARG A 44 -16.801 9.582 -1.734 1.00 0.00 C ATOM 709 CD ARG A 44 -16.372 10.343 -2.991 1.00 0.00 C ATOM 710 NE ARG A 44 -17.081 9.808 -4.174 1.00 0.00 N ATOM 711 CZ ARG A 44 -17.597 10.576 -5.158 1.00 0.00 C ATOM 712 NH1 ARG A 44 -17.470 11.907 -5.077 1.00 0.00 N ATOM 713 NH2 ARG A 44 -18.226 10.014 -6.199 1.00 0.00 N ATOM 0 H ARG A 44 -14.000 6.820 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.607 9.263 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.381 8.130 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.696 7.436 -1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.867 9.359 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.648 10.208 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.590 11.405 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.295 10.253 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 44 -17.187 8.796 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.989 12.326 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.854 12.502 -5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.318 9.000 -6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.613 10.601 -6.938 1.00 0.00 H new ATOM 727 N GLY A 45 -16.512 6.940 1.165 1.00 0.00 N ATOM 728 CA GLY A 45 -17.371 6.672 2.306 1.00 0.00 C ATOM 729 C GLY A 45 -16.582 6.899 3.597 1.00 0.00 C ATOM 730 O GLY A 45 -17.107 7.568 4.499 1.00 0.00 O ATOM 0 H GLY A 45 -16.313 6.122 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.244 7.325 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.738 5.647 2.266 1.00 0.00 H new ATOM 734 N ARG A 46 -15.357 6.346 3.660 1.00 0.00 N ATOM 735 CA ARG A 46 -14.508 6.488 4.831 1.00 0.00 C ATOM 736 C ARG A 46 -14.306 7.974 5.132 1.00 0.00 C ATOM 737 O ARG A 46 -14.796 8.436 6.173 1.00 0.00 O ATOM 738 CB ARG A 46 -13.144 5.828 4.620 1.00 0.00 C ATOM 739 CG ARG A 46 -13.221 4.320 4.861 1.00 0.00 C ATOM 740 CD ARG A 46 -11.823 3.704 4.939 1.00 0.00 C ATOM 741 NE ARG A 46 -11.680 2.932 6.194 1.00 0.00 N ATOM 742 CZ ARG A 46 -10.506 2.737 6.833 1.00 0.00 C ATOM 743 NH1 ARG A 46 -9.389 3.269 6.317 1.00 0.00 N ATOM 744 NH2 ARG A 46 -10.460 2.025 7.967 1.00 0.00 N ATOM 0 H ARG A 46 -14.943 5.798 2.906 1.00 0.00 H new ATOM 0 HA ARG A 46 -15.000 5.992 5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.796 6.020 3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.413 6.271 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.761 4.124 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.786 3.848 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.655 3.053 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.068 4.489 4.897 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.520 2.522 6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.434 3.812 5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.494 3.131 6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.315 1.626 8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.570 1.882 8.444 1.00 0.00 H new ATOM 758 N GLY A 47 -13.600 8.682 4.231 1.00 0.00 N ATOM 759 CA GLY A 47 -13.339 10.101 4.400 1.00 0.00 C ATOM 760 C GLY A 47 -14.640 10.813 4.778 1.00 0.00 C ATOM 761 O GLY A 47 -14.734 11.306 5.912 1.00 0.00 O ATOM 0 H GLY A 47 -13.204 8.282 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.588 10.255 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.936 10.521 3.478 1.00 0.00 H new ATOM 765 N SER A 48 -15.600 10.853 3.837 1.00 0.00 N ATOM 766 CA SER A 48 -16.880 11.499 4.071 1.00 0.00 C ATOM 767 C SER A 48 -17.333 11.221 5.506 1.00 0.00 C ATOM 768 O SER A 48 -17.502 12.184 6.268 1.00 0.00 O ATOM 769 CB SER A 48 -17.939 11.018 3.078 1.00 0.00 C ATOM 770 OG SER A 48 -19.173 11.716 3.232 1.00 0.00 O ATOM 0 H SER A 48 -15.502 10.441 2.909 1.00 0.00 H new ATOM 0 HA SER A 48 -16.757 12.572 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.570 11.154 2.061 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.107 9.950 3.216 1.00 0.00 H new ATOM 0 HG SER A 48 -19.822 11.381 2.579 1.00 0.00 H new ATOM 776 N THR A 49 -17.516 9.931 5.840 1.00 0.00 N ATOM 777 CA THR A 49 -17.946 9.534 7.171 1.00 0.00 C ATOM 778 C THR A 49 -17.248 10.414 8.210 1.00 0.00 C ATOM 779 O THR A 49 -17.947 11.000 9.050 1.00 0.00 O ATOM 780 CB THR A 49 -17.662 8.041 7.349 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.859 7.405 6.911 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.543 7.640 8.822 1.00 0.00 C ATOM 0 H THR A 49 -17.370 9.153 5.197 1.00 0.00 H new ATOM 0 HA THR A 49 -19.017 9.680 7.308 1.00 0.00 H new ATOM 0 HB THR A 49 -16.741 7.781 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.770 7.155 5.968 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.341 6.571 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.727 8.195 9.285 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.476 7.868 9.338 1.00 0.00 H new ATOM 790 N LEU A 50 -15.907 10.489 8.134 1.00 0.00 N ATOM 791 CA LEU A 50 -15.127 11.290 9.061 1.00 0.00 C ATOM 792 C LEU A 50 -15.379 12.774 8.784 1.00 0.00 C ATOM 793 O LEU A 50 -15.878 13.466 9.683 1.00 0.00 O ATOM 794 CB LEU A 50 -13.650 10.896 8.999 1.00 0.00 C ATOM 795 CG LEU A 50 -13.024 10.434 10.317 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.626 9.857 10.086 1.00 0.00 C ATOM 797 CD2 LEU A 50 -13.014 11.566 11.346 1.00 0.00 C ATOM 0 H LEU A 50 -15.351 9.999 7.434 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.442 11.098 10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.538 10.097 8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.082 11.749 8.629 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.640 9.633 10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.203 9.536 11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.692 9.003 9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.986 10.620 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.564 11.211 12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.435 12.404 10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.036 11.890 11.540 1.00 0.00 H new ATOM 809 N GLY A 51 -15.035 13.225 7.564 1.00 0.00 N ATOM 810 CA GLY A 51 -15.222 14.612 7.175 1.00 0.00 C ATOM 811 C GLY A 51 -13.895 15.361 7.315 1.00 0.00 C ATOM 812 O GLY A 51 -13.922 16.596 7.407 1.00 0.00 O ATOM 0 H GLY A 51 -14.626 12.638 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.577 14.668 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.983 15.078 7.801 1.00 0.00 H new ATOM 816 N LEU A 52 -12.779 14.610 7.328 1.00 0.00 N ATOM 817 CA LEU A 52 -11.457 15.199 7.456 1.00 0.00 C ATOM 818 C LEU A 52 -11.070 15.866 6.134 1.00 0.00 C ATOM 819 O LEU A 52 -11.618 16.938 5.833 1.00 0.00 O ATOM 820 CB LEU A 52 -10.448 14.151 7.933 1.00 0.00 C ATOM 821 CG LEU A 52 -10.677 13.590 9.337 1.00 0.00 C ATOM 822 CD1 LEU A 52 -9.546 12.642 9.741 1.00 0.00 C ATOM 823 CD2 LEU A 52 -10.871 14.717 10.354 1.00 0.00 C ATOM 0 H LEU A 52 -12.779 13.593 7.251 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.459 15.978 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.455 13.321 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.452 14.592 7.898 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.597 13.006 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.734 12.258 10.743 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.499 11.811 9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.599 13.181 9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.032 14.290 11.344 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.983 15.348 10.371 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.737 15.316 10.072 1.00 0.00 H new ATOM 835 N ASN A 53 -10.152 15.232 5.384 1.00 0.00 N ATOM 836 CA ASN A 53 -9.700 15.761 4.109 1.00 0.00 C ATOM 837 C ASN A 53 -8.763 14.749 3.446 1.00 0.00 C ATOM 838 O ASN A 53 -7.587 14.689 3.836 1.00 0.00 O ATOM 839 CB ASN A 53 -8.928 17.068 4.297 1.00 0.00 C ATOM 840 CG ASN A 53 -9.519 18.184 3.434 1.00 0.00 C ATOM 841 OD1 ASN A 53 -9.937 19.223 3.918 1.00 0.00 O ATOM 842 ND2 ASN A 53 -9.532 17.912 2.133 1.00 0.00 N ATOM 0 H ASN A 53 -9.714 14.350 5.650 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.578 15.947 3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.955 17.362 5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.881 16.917 4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.908 18.593 1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.166 17.022 1.794 1.00 0.00 H new ATOM 849 N ILE A 54 -9.291 13.989 2.470 1.00 0.00 N ATOM 850 CA ILE A 54 -8.507 12.991 1.762 1.00 0.00 C ATOM 851 C ILE A 54 -7.087 13.520 1.552 1.00 0.00 C ATOM 852 O ILE A 54 -6.134 12.768 1.801 1.00 0.00 O ATOM 853 CB ILE A 54 -9.209 12.579 0.467 1.00 0.00 C ATOM 854 CG1 ILE A 54 -10.236 11.474 0.726 1.00 0.00 C ATOM 855 CG2 ILE A 54 -8.193 12.177 -0.604 1.00 0.00 C ATOM 856 CD1 ILE A 54 -11.346 11.966 1.658 1.00 0.00 C ATOM 0 H ILE A 54 -10.261 14.056 2.161 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.423 12.080 2.355 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.755 13.442 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.668 11.145 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.742 10.609 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.719 11.889 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.535 13.020 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.600 11.336 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.063 11.162 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.913 12.271 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.854 12.816 1.202 1.00 0.00 H new ATOM 868 N GLU A 55 -6.976 14.784 1.102 1.00 0.00 N ATOM 869 CA GLU A 55 -5.684 15.404 0.860 1.00 0.00 C ATOM 870 C GLU A 55 -4.890 15.442 2.167 1.00 0.00 C ATOM 871 O GLU A 55 -3.850 14.771 2.245 1.00 0.00 O ATOM 872 CB GLU A 55 -5.837 16.807 0.269 1.00 0.00 C ATOM 873 CG GLU A 55 -5.023 16.951 -1.018 1.00 0.00 C ATOM 874 CD GLU A 55 -5.044 18.396 -1.521 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.137 19.292 -0.600 1.00 0.00 O ATOM 876 OE2 GLU A 55 -4.975 18.629 -2.737 1.00 0.00 O ATOM 0 H GLU A 55 -7.774 15.387 0.902 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.141 14.808 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.889 17.006 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.509 17.550 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.994 16.640 -0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.427 16.289 -1.784 1.00 0.00 H new ATOM 883 N ALA A 56 -5.386 16.214 3.151 1.00 0.00 N ATOM 884 CA ALA A 56 -4.726 16.336 4.440 1.00 0.00 C ATOM 885 C ALA A 56 -4.318 14.947 4.933 1.00 0.00 C ATOM 886 O ALA A 56 -3.115 14.719 5.127 1.00 0.00 O ATOM 887 CB ALA A 56 -5.713 16.886 5.473 1.00 0.00 C ATOM 0 H ALA A 56 -6.244 16.759 3.066 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.863 16.992 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.216 16.977 6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.066 17.866 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.561 16.207 5.564 1.00 0.00 H new ATOM 893 N ALA A 57 -5.311 14.060 5.124 1.00 0.00 N ATOM 894 CA ALA A 57 -5.056 12.708 5.590 1.00 0.00 C ATOM 895 C ALA A 57 -3.875 12.119 4.814 1.00 0.00 C ATOM 896 O ALA A 57 -2.822 11.892 5.427 1.00 0.00 O ATOM 897 CB ALA A 57 -6.262 11.819 5.274 1.00 0.00 C ATOM 0 H ALA A 57 -6.296 14.267 4.959 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.857 12.744 6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.068 10.805 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.146 12.214 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.431 11.805 4.197 1.00 0.00 H new ATOM 903 N THR A 58 -4.070 11.887 3.504 1.00 0.00 N ATOM 904 CA THR A 58 -3.029 11.332 2.657 1.00 0.00 C ATOM 905 C THR A 58 -1.727 12.100 2.887 1.00 0.00 C ATOM 906 O THR A 58 -0.653 11.498 2.737 1.00 0.00 O ATOM 907 CB THR A 58 -3.508 11.369 1.205 1.00 0.00 C ATOM 908 OG1 THR A 58 -2.895 10.231 0.607 1.00 0.00 O ATOM 909 CG2 THR A 58 -2.931 12.554 0.427 1.00 0.00 C ATOM 0 H THR A 58 -4.946 12.080 3.019 1.00 0.00 H new ATOM 0 HA THR A 58 -2.824 10.290 2.904 1.00 0.00 H new ATOM 0 HB THR A 58 -4.597 11.417 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.161 10.522 0.027 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.303 12.533 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.236 13.485 0.904 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.843 12.489 0.419 1.00 0.00 H new ATOM 917 N HIS A 59 -1.844 13.393 3.241 1.00 0.00 N ATOM 918 CA HIS A 59 -0.685 14.232 3.487 1.00 0.00 C ATOM 919 C HIS A 59 0.067 13.709 4.713 1.00 0.00 C ATOM 920 O HIS A 59 1.197 13.227 4.550 1.00 0.00 O ATOM 921 CB HIS A 59 -1.090 15.701 3.624 1.00 0.00 C ATOM 922 CG HIS A 59 -0.120 16.667 2.988 1.00 0.00 C ATOM 923 ND1 HIS A 59 0.340 17.802 3.635 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.473 16.658 1.760 1.00 0.00 C ATOM 925 CE1 HIS A 59 1.171 18.438 2.823 1.00 0.00 C ATOM 926 NE2 HIS A 59 1.252 17.728 1.661 1.00 0.00 N ATOM 0 H HIS A 59 -2.738 13.869 3.360 1.00 0.00 H new ATOM 0 HA HIS A 59 -0.009 14.184 2.634 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.073 15.840 3.174 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.187 15.943 4.682 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.332 15.907 0.997 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.693 19.358 3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.818 17.978 0.850 1.00 0.00 H new ATOM 934 N VAL A 60 -0.565 13.811 5.897 1.00 0.00 N ATOM 935 CA VAL A 60 0.040 13.352 7.135 1.00 0.00 C ATOM 936 C VAL A 60 0.584 11.935 6.937 1.00 0.00 C ATOM 937 O VAL A 60 1.682 11.650 7.436 1.00 0.00 O ATOM 938 CB VAL A 60 -0.971 13.449 8.279 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.751 12.333 9.301 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.914 14.823 8.946 1.00 0.00 C ATOM 0 H VAL A 60 -1.497 14.210 6.009 1.00 0.00 H new ATOM 0 HA VAL A 60 0.882 13.989 7.408 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.968 13.324 7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.483 12.425 10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.867 11.365 8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.254 12.412 9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.643 14.865 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.085 14.991 9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.144 15.594 8.211 1.00 0.00 H new ATOM 950 N GLY A 61 -0.181 11.091 6.223 1.00 0.00 N ATOM 951 CA GLY A 61 0.222 9.719 5.963 1.00 0.00 C ATOM 952 C GLY A 61 1.567 9.717 5.236 1.00 0.00 C ATOM 953 O GLY A 61 2.464 8.971 5.657 1.00 0.00 O ATOM 0 H GLY A 61 -1.082 11.346 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.301 9.167 6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.532 9.215 5.359 1.00 0.00 H new ATOM 957 N LYS A 62 1.680 10.537 4.176 1.00 0.00 N ATOM 958 CA LYS A 62 2.906 10.628 3.400 1.00 0.00 C ATOM 959 C LYS A 62 4.083 10.885 4.342 1.00 0.00 C ATOM 960 O LYS A 62 5.179 10.373 4.070 1.00 0.00 O ATOM 961 CB LYS A 62 2.763 11.675 2.294 1.00 0.00 C ATOM 962 CG LYS A 62 4.105 12.346 1.997 1.00 0.00 C ATOM 963 CD LYS A 62 5.116 11.334 1.457 1.00 0.00 C ATOM 964 CE LYS A 62 6.483 11.517 2.120 1.00 0.00 C ATOM 965 NZ LYS A 62 7.444 12.097 1.169 1.00 0.00 N ATOM 0 H LYS A 62 0.929 11.143 3.845 1.00 0.00 H new ATOM 0 HA LYS A 62 3.106 9.685 2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.380 11.203 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.034 12.428 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.963 13.146 1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.495 12.806 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.754 10.322 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.213 11.452 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.387 12.166 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.852 10.556 2.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.366 12.214 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.548 11.464 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.098 13.024 0.848 1.00 0.00 H new ATOM 979 N GLN A 63 3.839 11.660 5.413 1.00 0.00 N ATOM 980 CA GLN A 63 4.872 11.980 6.384 1.00 0.00 C ATOM 981 C GLN A 63 5.154 10.748 7.246 1.00 0.00 C ATOM 982 O GLN A 63 6.330 10.500 7.551 1.00 0.00 O ATOM 983 CB GLN A 63 4.477 13.178 7.251 1.00 0.00 C ATOM 984 CG GLN A 63 5.053 14.478 6.687 1.00 0.00 C ATOM 985 CD GLN A 63 4.242 14.962 5.485 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.774 15.317 4.446 1.00 0.00 O ATOM 987 NE2 GLN A 63 2.927 14.957 5.683 1.00 0.00 N ATOM 0 H GLN A 63 2.929 12.072 5.619 1.00 0.00 H new ATOM 0 HA GLN A 63 5.780 12.261 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.391 13.250 7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.836 13.029 8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.055 15.245 7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.090 14.322 6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.547 14.647 6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.298 15.263 4.940 1.00 0.00 H new ATOM 996 N ILE A 64 4.090 10.014 7.615 1.00 0.00 N ATOM 997 CA ILE A 64 4.224 8.821 8.433 1.00 0.00 C ATOM 998 C ILE A 64 5.083 7.794 7.693 1.00 0.00 C ATOM 999 O ILE A 64 5.928 7.157 8.339 1.00 0.00 O ATOM 1000 CB ILE A 64 2.847 8.294 8.840 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.461 8.787 10.236 1.00 0.00 C ATOM 1002 CG2 ILE A 64 2.791 6.768 8.735 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.208 8.004 11.319 1.00 0.00 C ATOM 0 H ILE A 64 3.130 10.236 7.353 1.00 0.00 H new ATOM 0 HA ILE A 64 4.739 9.053 9.365 1.00 0.00 H new ATOM 0 HB ILE A 64 2.110 8.692 8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.689 9.849 10.327 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.386 8.679 10.380 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.801 6.419 9.030 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.991 6.466 7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.541 6.330 9.394 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.916 8.374 12.302 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.959 6.946 11.240 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.282 8.134 11.187 1.00 0.00 H new ATOM 1015 N VAL A 65 4.853 7.656 6.375 1.00 0.00 N ATOM 1016 CA VAL A 65 5.600 6.714 5.558 1.00 0.00 C ATOM 1017 C VAL A 65 7.051 7.185 5.443 1.00 0.00 C ATOM 1018 O VAL A 65 7.957 6.366 5.659 1.00 0.00 O ATOM 1019 CB VAL A 65 4.918 6.544 4.199 1.00 0.00 C ATOM 1020 CG1 VAL A 65 5.912 6.056 3.144 1.00 0.00 C ATOM 1021 CG2 VAL A 65 3.719 5.598 4.303 1.00 0.00 C ATOM 0 H VAL A 65 4.152 8.191 5.863 1.00 0.00 H new ATOM 0 HA VAL A 65 5.613 5.730 6.026 1.00 0.00 H new ATOM 0 HB VAL A 65 4.549 7.520 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.401 5.943 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.719 6.781 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.325 5.095 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.252 5.494 3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.055 4.621 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.995 6.004 5.009 1.00 0.00 H new ATOM 1031 N GLU A 66 7.241 8.474 5.109 1.00 0.00 N ATOM 1032 CA GLU A 66 8.569 9.045 4.968 1.00 0.00 C ATOM 1033 C GLU A 66 9.332 8.884 6.284 1.00 0.00 C ATOM 1034 O GLU A 66 10.568 8.783 6.241 1.00 0.00 O ATOM 1035 CB GLU A 66 8.508 10.515 4.548 1.00 0.00 C ATOM 1036 CG GLU A 66 9.105 11.420 5.627 1.00 0.00 C ATOM 1037 CD GLU A 66 9.060 12.889 5.198 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.801 13.182 4.184 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.348 13.694 5.816 1.00 0.00 O ATOM 0 H GLU A 66 6.482 9.132 4.934 1.00 0.00 H new ATOM 0 HA GLU A 66 9.096 8.510 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.050 10.652 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.473 10.801 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.554 11.293 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.136 11.126 5.823 1.00 0.00 H new ATOM 1046 N LYS A 67 8.596 8.862 7.409 1.00 0.00 N ATOM 1047 CA LYS A 67 9.199 8.714 8.723 1.00 0.00 C ATOM 1048 C LYS A 67 9.767 7.300 8.861 1.00 0.00 C ATOM 1049 O LYS A 67 10.875 7.160 9.399 1.00 0.00 O ATOM 1050 CB LYS A 67 8.196 9.083 9.817 1.00 0.00 C ATOM 1051 CG LYS A 67 8.737 8.721 11.201 1.00 0.00 C ATOM 1052 CD LYS A 67 7.633 8.796 12.259 1.00 0.00 C ATOM 1053 CE LYS A 67 8.203 9.213 13.616 1.00 0.00 C ATOM 1054 NZ LYS A 67 9.088 8.165 14.148 1.00 0.00 N ATOM 0 H LYS A 67 7.580 8.946 7.422 1.00 0.00 H new ATOM 0 HA LYS A 67 10.033 9.406 8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.982 10.151 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.254 8.562 9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.157 7.715 11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.547 9.399 11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.871 9.510 11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.143 7.826 12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.756 10.147 13.513 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.389 9.400 14.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.426 8.442 15.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.563 7.270 14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.901 8.042 13.512 1.00 0.00 H new ATOM 1068 N ILE A 68 9.010 6.296 8.383 1.00 0.00 N ATOM 1069 CA ILE A 68 9.435 4.909 8.454 1.00 0.00 C ATOM 1070 C ILE A 68 10.480 4.644 7.367 1.00 0.00 C ATOM 1071 O ILE A 68 11.317 3.750 7.559 1.00 0.00 O ATOM 1072 CB ILE A 68 8.226 3.974 8.385 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.841 3.473 9.779 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.480 2.821 7.411 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.361 3.084 9.831 1.00 0.00 C ATOM 0 H ILE A 68 8.099 6.433 7.944 1.00 0.00 H new ATOM 0 HA ILE A 68 9.912 4.705 9.413 1.00 0.00 H new ATOM 0 HB ILE A 68 7.377 4.539 8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.457 2.613 10.043 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.043 4.249 10.517 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.605 2.171 7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.670 3.221 6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.346 2.248 7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.112 2.731 10.832 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.748 3.952 9.590 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.168 2.291 9.109 1.00 0.00 H new ATOM 1087 N LEU A 69 10.412 5.414 6.266 1.00 0.00 N ATOM 1088 CA LEU A 69 11.345 5.263 5.163 1.00 0.00 C ATOM 1089 C LEU A 69 12.707 5.832 5.571 1.00 0.00 C ATOM 1090 O LEU A 69 13.729 5.241 5.193 1.00 0.00 O ATOM 1091 CB LEU A 69 10.775 5.890 3.890 1.00 0.00 C ATOM 1092 CG LEU A 69 9.622 5.131 3.227 1.00 0.00 C ATOM 1093 CD1 LEU A 69 9.590 5.391 1.720 1.00 0.00 C ATOM 1094 CD2 LEU A 69 9.693 3.638 3.550 1.00 0.00 C ATOM 0 H LEU A 69 9.715 6.145 6.128 1.00 0.00 H new ATOM 0 HA LEU A 69 11.495 4.208 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.432 6.897 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.583 5.990 3.165 1.00 0.00 H new ATOM 0 HG LEU A 69 8.684 5.505 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.762 4.840 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.457 6.457 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.528 5.061 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.863 3.121 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.636 3.231 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.631 3.496 4.629 1.00 0.00 H new ATOM 1106 N LYS A 70 12.693 6.948 6.322 1.00 0.00 N ATOM 1107 CA LYS A 70 13.916 7.586 6.774 1.00 0.00 C ATOM 1108 C LYS A 70 14.699 6.612 7.657 1.00 0.00 C ATOM 1109 O LYS A 70 15.925 6.764 7.761 1.00 0.00 O ATOM 1110 CB LYS A 70 13.605 8.919 7.457 1.00 0.00 C ATOM 1111 CG LYS A 70 13.083 8.699 8.878 1.00 0.00 C ATOM 1112 CD LYS A 70 13.977 9.398 9.904 1.00 0.00 C ATOM 1113 CE LYS A 70 15.386 8.804 9.899 1.00 0.00 C ATOM 1114 NZ LYS A 70 15.382 7.459 10.499 1.00 0.00 N ATOM 0 H LYS A 70 11.839 7.418 6.623 1.00 0.00 H new ATOM 0 HA LYS A 70 14.553 7.830 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.504 9.534 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.864 9.466 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.065 9.079 8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.042 7.631 9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.027 10.464 9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.541 9.300 10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.761 8.751 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.063 9.454 10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.087 6.863 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.617 7.529 11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.439 7.034 10.391 1.00 0.00 H new ATOM 1128 N GLU A 71 13.988 5.646 8.266 1.00 0.00 N ATOM 1129 CA GLU A 71 14.611 4.659 9.130 1.00 0.00 C ATOM 1130 C GLU A 71 15.221 3.549 8.273 1.00 0.00 C ATOM 1131 O GLU A 71 16.106 2.837 8.769 1.00 0.00 O ATOM 1132 CB GLU A 71 13.615 4.086 10.140 1.00 0.00 C ATOM 1133 CG GLU A 71 12.392 4.996 10.280 1.00 0.00 C ATOM 1134 CD GLU A 71 11.417 4.446 11.322 1.00 0.00 C ATOM 1135 OE1 GLU A 71 11.308 3.222 11.485 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.758 5.340 11.977 1.00 0.00 O ATOM 0 H GLU A 71 12.979 5.538 8.167 1.00 0.00 H new ATOM 0 HA GLU A 71 15.400 5.146 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.299 3.093 9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.100 3.971 11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.711 5.998 10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.889 5.086 9.317 1.00 0.00 H new ATOM 1199 N SER B 3 4.928 -8.874 -17.851 1.00 0.00 N ATOM 1200 CA SER B 3 5.505 -7.541 -17.904 1.00 0.00 C ATOM 1201 C SER B 3 4.914 -6.689 -16.778 1.00 0.00 C ATOM 1202 O SER B 3 5.593 -6.508 -15.758 1.00 0.00 O ATOM 1203 CB SER B 3 5.257 -6.877 -19.259 1.00 0.00 C ATOM 1204 OG SER B 3 6.358 -7.048 -20.147 1.00 0.00 O ATOM 0 HA SER B 3 6.584 -7.625 -17.774 1.00 0.00 H new ATOM 0 HB2 SER B 3 4.359 -7.298 -19.710 1.00 0.00 H new ATOM 0 HB3 SER B 3 5.071 -5.813 -19.113 1.00 0.00 H new ATOM 0 HG SER B 3 6.160 -6.611 -21.002 1.00 0.00 H new ATOM 1210 N ASN B 4 3.681 -6.192 -16.984 1.00 0.00 N ATOM 1211 CA ASN B 4 3.008 -5.368 -15.995 1.00 0.00 C ATOM 1212 C ASN B 4 2.578 -6.243 -14.815 1.00 0.00 C ATOM 1213 O ASN B 4 2.566 -5.741 -13.683 1.00 0.00 O ATOM 1214 CB ASN B 4 1.754 -4.716 -16.581 1.00 0.00 C ATOM 1215 CG ASN B 4 1.867 -3.190 -16.558 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.945 -2.623 -16.474 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.699 -2.560 -16.638 1.00 0.00 N ATOM 0 H ASN B 4 3.139 -6.354 -17.833 1.00 0.00 H new ATOM 0 HA ASN B 4 3.703 -4.591 -15.676 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.607 -5.058 -17.606 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.878 -5.028 -16.012 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.668 -1.540 -16.631 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.166 -3.096 -16.706 1.00 0.00 H new ATOM 1224 N THR B 5 2.241 -7.514 -15.101 1.00 0.00 N ATOM 1225 CA THR B 5 1.815 -8.447 -14.071 1.00 0.00 C ATOM 1226 C THR B 5 2.895 -8.535 -12.990 1.00 0.00 C ATOM 1227 O THR B 5 2.623 -8.128 -11.851 1.00 0.00 O ATOM 1228 CB THR B 5 1.504 -9.792 -14.729 1.00 0.00 C ATOM 1229 OG1 THR B 5 0.441 -9.499 -15.631 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.895 -10.797 -13.749 1.00 0.00 C ATOM 0 H THR B 5 2.259 -7.908 -16.042 1.00 0.00 H new ATOM 0 HA THR B 5 0.905 -8.109 -13.576 1.00 0.00 H new ATOM 0 HB THR B 5 2.418 -10.208 -15.154 1.00 0.00 H new ATOM 0 HG1 THR B 5 -0.398 -9.413 -15.131 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.694 -11.734 -14.267 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.593 -10.977 -12.932 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.036 -10.396 -13.349 1.00 0.00 H new ATOM 1238 N VAL B 6 4.079 -9.053 -13.362 1.00 0.00 N ATOM 1239 CA VAL B 6 5.186 -9.190 -12.432 1.00 0.00 C ATOM 1240 C VAL B 6 5.360 -7.884 -11.656 1.00 0.00 C ATOM 1241 O VAL B 6 5.500 -7.943 -10.425 1.00 0.00 O ATOM 1242 CB VAL B 6 6.451 -9.613 -13.183 1.00 0.00 C ATOM 1243 CG1 VAL B 6 6.419 -11.106 -13.516 1.00 0.00 C ATOM 1244 CG2 VAL B 6 6.644 -8.773 -14.448 1.00 0.00 C ATOM 0 H VAL B 6 4.282 -9.381 -14.306 1.00 0.00 H new ATOM 0 HA VAL B 6 4.978 -9.974 -11.704 1.00 0.00 H new ATOM 0 HB VAL B 6 7.304 -9.435 -12.528 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.329 -11.379 -14.049 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.351 -11.683 -12.594 1.00 0.00 H new ATOM 0 HG13 VAL B 6 5.553 -11.321 -14.143 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.550 -9.094 -14.963 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.786 -8.905 -15.107 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.734 -7.721 -14.176 1.00 0.00 H new ATOM 1254 N SER B 7 5.348 -6.748 -12.377 1.00 0.00 N ATOM 1255 CA SER B 7 5.503 -5.442 -11.760 1.00 0.00 C ATOM 1256 C SER B 7 4.577 -5.345 -10.545 1.00 0.00 C ATOM 1257 O SER B 7 5.082 -5.106 -9.437 1.00 0.00 O ATOM 1258 CB SER B 7 5.200 -4.315 -12.749 1.00 0.00 C ATOM 1259 OG SER B 7 5.682 -3.056 -12.288 1.00 0.00 O ATOM 0 H SER B 7 5.231 -6.721 -13.390 1.00 0.00 H new ATOM 0 HA SER B 7 6.540 -5.329 -11.444 1.00 0.00 H new ATOM 0 HB2 SER B 7 5.654 -4.546 -13.712 1.00 0.00 H new ATOM 0 HB3 SER B 7 4.124 -4.254 -12.910 1.00 0.00 H new ATOM 0 HG SER B 7 5.470 -2.363 -12.948 1.00 0.00 H new ATOM 1265 N SER B 8 3.265 -5.526 -10.772 1.00 0.00 N ATOM 1266 CA SER B 8 2.281 -5.459 -9.703 1.00 0.00 C ATOM 1267 C SER B 8 2.721 -6.370 -8.554 1.00 0.00 C ATOM 1268 O SER B 8 2.575 -5.964 -7.392 1.00 0.00 O ATOM 1269 CB SER B 8 0.891 -5.861 -10.196 1.00 0.00 C ATOM 1270 OG SER B 8 -0.120 -4.976 -9.718 1.00 0.00 O ATOM 0 H SER B 8 2.871 -5.720 -11.692 1.00 0.00 H new ATOM 0 HA SER B 8 2.219 -4.429 -9.353 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.881 -5.869 -11.286 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.669 -6.876 -9.868 1.00 0.00 H new ATOM 0 HG SER B 8 0.186 -4.545 -8.893 1.00 0.00 H new ATOM 1276 N PHE B 9 3.242 -7.562 -8.896 1.00 0.00 N ATOM 1277 CA PHE B 9 3.696 -8.518 -7.900 1.00 0.00 C ATOM 1278 C PHE B 9 4.711 -7.841 -6.976 1.00 0.00 C ATOM 1279 O PHE B 9 4.457 -7.781 -5.764 1.00 0.00 O ATOM 1280 CB PHE B 9 4.327 -9.730 -8.611 1.00 0.00 C ATOM 1281 CG PHE B 9 3.802 -11.082 -8.147 1.00 0.00 C ATOM 1282 CD1 PHE B 9 2.470 -11.465 -8.425 1.00 0.00 C ATOM 1283 CD2 PHE B 9 4.645 -11.961 -7.428 1.00 0.00 C ATOM 1284 CE1 PHE B 9 1.985 -12.717 -7.990 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.160 -13.213 -6.994 1.00 0.00 C ATOM 1286 CZ PHE B 9 2.830 -13.591 -7.274 1.00 0.00 C ATOM 0 H PHE B 9 3.354 -7.876 -9.860 1.00 0.00 H new ATOM 0 HA PHE B 9 2.855 -8.864 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE B 9 4.154 -9.636 -9.683 1.00 0.00 H new ATOM 0 HB3 PHE B 9 5.406 -9.702 -8.459 1.00 0.00 H new ATOM 0 HD1 PHE B 9 1.821 -10.797 -8.972 1.00 0.00 H new ATOM 0 HD2 PHE B 9 5.663 -11.673 -7.210 1.00 0.00 H new ATOM 0 HE1 PHE B 9 0.967 -13.006 -8.205 1.00 0.00 H new ATOM 0 HE2 PHE B 9 4.807 -13.882 -6.447 1.00 0.00 H new ATOM 0 HZ PHE B 9 2.459 -14.549 -6.940 1.00 0.00 H new ATOM 1296 N GLN B 10 5.821 -7.352 -7.557 1.00 0.00 N ATOM 1297 CA GLN B 10 6.862 -6.687 -6.791 1.00 0.00 C ATOM 1298 C GLN B 10 6.226 -5.633 -5.882 1.00 0.00 C ATOM 1299 O GLN B 10 6.455 -5.687 -4.666 1.00 0.00 O ATOM 1300 CB GLN B 10 7.918 -6.059 -7.704 1.00 0.00 C ATOM 1301 CG GLN B 10 8.844 -7.129 -8.287 1.00 0.00 C ATOM 1302 CD GLN B 10 8.938 -7.001 -9.809 1.00 0.00 C ATOM 1303 OE1 GLN B 10 8.786 -5.933 -10.378 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.196 -8.147 -10.432 1.00 0.00 N ATOM 0 H GLN B 10 6.010 -7.411 -8.558 1.00 0.00 H new ATOM 0 HA GLN B 10 7.373 -7.429 -6.178 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.429 -5.516 -8.513 1.00 0.00 H new ATOM 0 HB3 GLN B 10 8.504 -5.332 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.837 -7.034 -7.848 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.473 -8.119 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.312 -9.005 -9.893 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.278 -8.168 -11.448 1.00 0.00 H new ATOM 1313 N VAL B 11 5.451 -4.710 -6.482 1.00 0.00 N ATOM 1314 CA VAL B 11 4.790 -3.656 -5.732 1.00 0.00 C ATOM 1315 C VAL B 11 4.084 -4.265 -4.518 1.00 0.00 C ATOM 1316 O VAL B 11 4.459 -3.926 -3.386 1.00 0.00 O ATOM 1317 CB VAL B 11 3.843 -2.878 -6.646 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.961 -1.923 -5.839 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.620 -2.125 -7.728 1.00 0.00 C ATOM 0 H VAL B 11 5.275 -4.684 -7.486 1.00 0.00 H new ATOM 0 HA VAL B 11 5.520 -2.939 -5.357 1.00 0.00 H new ATOM 0 HB VAL B 11 3.191 -3.597 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL B 11 2.297 -1.383 -6.514 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.367 -2.493 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.590 -1.212 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.923 -1.580 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL B 11 5.308 -1.422 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL B 11 5.183 -2.836 -8.333 1.00 0.00 H new ATOM 1329 N ASP B 12 3.093 -5.137 -4.773 1.00 0.00 N ATOM 1330 CA ASP B 12 2.343 -5.785 -3.710 1.00 0.00 C ATOM 1331 C ASP B 12 3.295 -6.138 -2.565 1.00 0.00 C ATOM 1332 O ASP B 12 3.043 -5.699 -1.433 1.00 0.00 O ATOM 1333 CB ASP B 12 1.696 -7.080 -4.203 1.00 0.00 C ATOM 1334 CG ASP B 12 0.337 -7.403 -3.577 1.00 0.00 C ATOM 1335 OD1 ASP B 12 0.033 -6.973 -2.455 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -0.436 -8.139 -4.302 1.00 0.00 O ATOM 0 H ASP B 12 2.800 -5.403 -5.713 1.00 0.00 H new ATOM 0 HA ASP B 12 1.565 -5.098 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.576 -7.020 -5.285 1.00 0.00 H new ATOM 0 HB3 ASP B 12 2.377 -7.907 -4.004 1.00 0.00 H new ATOM 1341 N CYS B 13 4.350 -6.911 -2.875 1.00 0.00 N ATOM 1342 CA CYS B 13 5.327 -7.317 -1.879 1.00 0.00 C ATOM 1343 C CYS B 13 5.756 -6.095 -1.065 1.00 0.00 C ATOM 1344 O CYS B 13 5.604 -6.123 0.166 1.00 0.00 O ATOM 1345 CB CYS B 13 6.522 -8.017 -2.530 1.00 0.00 C ATOM 1346 SG CYS B 13 6.845 -9.699 -1.921 1.00 0.00 S ATOM 0 H CYS B 13 4.539 -7.262 -3.814 1.00 0.00 H new ATOM 0 HA CYS B 13 4.873 -8.042 -1.203 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.357 -8.061 -3.607 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.413 -7.410 -2.369 1.00 0.00 H new ATOM 0 HG CYS B 13 8.128 -9.898 -1.856 1.00 0.00 H new ATOM 1352 N PHE B 14 6.275 -5.064 -1.753 1.00 0.00 N ATOM 1353 CA PHE B 14 6.721 -3.845 -1.098 1.00 0.00 C ATOM 1354 C PHE B 14 5.614 -3.337 -0.170 1.00 0.00 C ATOM 1355 O PHE B 14 5.916 -3.030 0.992 1.00 0.00 O ATOM 1356 CB PHE B 14 7.065 -2.791 -2.167 1.00 0.00 C ATOM 1357 CG PHE B 14 7.627 -1.488 -1.615 1.00 0.00 C ATOM 1358 CD1 PHE B 14 8.958 -1.435 -1.140 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.826 -0.322 -1.581 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.482 -0.228 -0.632 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.352 0.885 -1.072 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.680 0.932 -0.597 1.00 0.00 C ATOM 0 H PHE B 14 6.392 -5.061 -2.766 1.00 0.00 H new ATOM 0 HA PHE B 14 7.613 -4.041 -0.503 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.789 -3.219 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.166 -2.569 -2.742 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.575 -2.321 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.810 -0.356 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.499 -0.192 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.738 1.773 -1.046 1.00 0.00 H new ATOM 0 HZ PHE B 14 9.082 1.855 -0.207 1.00 0.00 H new ATOM 1372 N LEU B 15 4.378 -3.262 -0.693 1.00 0.00 N ATOM 1373 CA LEU B 15 3.241 -2.795 0.083 1.00 0.00 C ATOM 1374 C LEU B 15 3.159 -3.590 1.387 1.00 0.00 C ATOM 1375 O LEU B 15 2.821 -2.993 2.420 1.00 0.00 O ATOM 1376 CB LEU B 15 1.961 -2.853 -0.754 1.00 0.00 C ATOM 1377 CG LEU B 15 2.031 -2.194 -2.134 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.630 -1.923 -2.683 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.887 -0.927 -2.094 1.00 0.00 C ATOM 0 H LEU B 15 4.152 -3.522 -1.653 1.00 0.00 H new ATOM 0 HA LEU B 15 3.369 -1.747 0.355 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.684 -3.899 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.159 -2.380 -0.188 1.00 0.00 H new ATOM 0 HG LEU B 15 2.517 -2.888 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.708 -1.455 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.086 -2.863 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.096 -1.258 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.920 -0.479 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.453 -0.217 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.898 -1.181 -1.777 1.00 0.00 H new ATOM 1391 N TRP B 16 3.466 -4.897 1.316 1.00 0.00 N ATOM 1392 CA TRP B 16 3.427 -5.762 2.484 1.00 0.00 C ATOM 1393 C TRP B 16 4.531 -5.346 3.457 1.00 0.00 C ATOM 1394 O TRP B 16 4.277 -5.342 4.671 1.00 0.00 O ATOM 1395 CB TRP B 16 3.524 -7.229 2.060 1.00 0.00 C ATOM 1396 CG TRP B 16 3.213 -8.222 3.181 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.071 -8.888 3.402 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.110 -8.637 4.233 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.165 -9.698 4.514 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.444 -9.541 5.037 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.438 -8.263 4.499 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.027 -10.146 6.157 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.007 -8.875 5.622 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.350 -9.786 6.440 1.00 0.00 C ATOM 0 H TRP B 16 3.743 -5.368 0.455 1.00 0.00 H new ATOM 0 HA TRP B 16 2.475 -5.654 3.004 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.836 -7.404 1.233 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.529 -7.423 1.685 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.188 -8.801 2.786 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.431 -10.302 4.885 1.00 0.00 H new ATOM 0 HE3 TRP B 16 5.978 -7.558 3.885 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.486 -10.852 6.769 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.027 -8.622 5.870 1.00 0.00 H new ATOM 0 HH2 TRP B 16 5.858 -10.215 7.291 1.00 0.00 H new ATOM 1415 N HIS B 17 5.716 -5.009 2.916 1.00 0.00 N ATOM 1416 CA HIS B 17 6.845 -4.598 3.732 1.00 0.00 C ATOM 1417 C HIS B 17 6.485 -3.316 4.484 1.00 0.00 C ATOM 1418 O HIS B 17 6.620 -3.297 5.717 1.00 0.00 O ATOM 1419 CB HIS B 17 8.109 -4.450 2.882 1.00 0.00 C ATOM 1420 CG HIS B 17 8.773 -5.762 2.536 1.00 0.00 C ATOM 1421 ND1 HIS B 17 10.022 -6.119 3.013 1.00 0.00 N ATOM 1422 CD2 HIS B 17 8.348 -6.798 1.757 1.00 0.00 C ATOM 1423 CE1 HIS B 17 10.326 -7.316 2.535 1.00 0.00 C ATOM 1424 NE2 HIS B 17 9.287 -7.736 1.758 1.00 0.00 N ATOM 0 H HIS B 17 5.905 -5.017 1.914 1.00 0.00 H new ATOM 0 HA HIS B 17 7.066 -5.368 4.471 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.855 -3.928 1.959 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.823 -3.823 3.416 1.00 0.00 H new ATOM 0 HD2 HIS B 17 7.407 -6.847 1.229 1.00 0.00 H new ATOM 0 HE1 HIS B 17 11.237 -7.864 2.727 1.00 0.00 H new ATOM 0 HE2 HIS B 17 9.239 -8.625 1.260 1.00 0.00 H new ATOM 1432 N VAL B 18 6.039 -2.287 3.743 1.00 0.00 N ATOM 1433 CA VAL B 18 5.663 -1.015 4.337 1.00 0.00 C ATOM 1434 C VAL B 18 4.572 -1.248 5.383 1.00 0.00 C ATOM 1435 O VAL B 18 4.597 -0.572 6.422 1.00 0.00 O ATOM 1436 CB VAL B 18 5.242 -0.030 3.243 1.00 0.00 C ATOM 1437 CG1 VAL B 18 6.439 0.378 2.382 1.00 0.00 C ATOM 1438 CG2 VAL B 18 4.122 -0.616 2.381 1.00 0.00 C ATOM 0 H VAL B 18 5.934 -2.323 2.729 1.00 0.00 H new ATOM 0 HA VAL B 18 6.514 -0.567 4.849 1.00 0.00 H new ATOM 0 HB VAL B 18 4.858 0.867 3.729 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.112 1.078 1.613 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.193 0.854 3.009 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.866 -0.507 1.910 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.841 0.103 1.612 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.469 -1.535 1.909 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.257 -0.834 3.007 1.00 0.00 H new ATOM 1448 N ARG B 19 3.651 -2.185 5.094 1.00 0.00 N ATOM 1449 CA ARG B 19 2.563 -2.502 6.004 1.00 0.00 C ATOM 1450 C ARG B 19 3.139 -3.086 7.296 1.00 0.00 C ATOM 1451 O ARG B 19 2.816 -2.564 8.373 1.00 0.00 O ATOM 1452 CB ARG B 19 1.589 -3.508 5.388 1.00 0.00 C ATOM 1453 CG ARG B 19 0.511 -2.796 4.569 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.661 -3.733 4.272 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.310 -3.346 2.999 1.00 0.00 N ATOM 1456 CZ ARG B 19 -2.630 -3.475 2.753 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -3.423 -3.985 3.706 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -3.142 -3.100 1.572 1.00 0.00 N ATOM 0 H ARG B 19 3.649 -2.731 4.232 1.00 0.00 H new ATOM 0 HA ARG B 19 2.016 -1.582 6.211 1.00 0.00 H new ATOM 0 HB2 ARG B 19 2.134 -4.204 4.751 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.122 -4.097 6.177 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.153 -1.922 5.114 1.00 0.00 H new ATOM 0 HG3 ARG B 19 0.939 -2.435 3.634 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.308 -4.762 4.211 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.385 -3.692 5.086 1.00 0.00 H new ATOM 0 HE ARG B 19 -0.722 -2.957 2.262 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -3.026 -4.269 4.602 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -4.423 -4.089 3.535 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -2.532 -2.714 0.851 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -4.141 -3.201 1.394 1.00 0.00 H new ATOM 1472 N LYS B 20 3.966 -4.138 7.166 1.00 0.00 N ATOM 1473 CA LYS B 20 4.578 -4.783 8.315 1.00 0.00 C ATOM 1474 C LYS B 20 5.249 -3.724 9.192 1.00 0.00 C ATOM 1475 O LYS B 20 5.240 -3.884 10.421 1.00 0.00 O ATOM 1476 CB LYS B 20 5.524 -5.897 7.863 1.00 0.00 C ATOM 1477 CG LYS B 20 6.969 -5.583 8.259 1.00 0.00 C ATOM 1478 CD LYS B 20 7.226 -5.943 9.724 1.00 0.00 C ATOM 1479 CE LYS B 20 8.263 -5.005 10.343 1.00 0.00 C ATOM 1480 NZ LYS B 20 9.626 -5.479 10.053 1.00 0.00 N ATOM 0 H LYS B 20 4.219 -4.552 6.269 1.00 0.00 H new ATOM 0 HA LYS B 20 3.819 -5.270 8.928 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.218 -6.843 8.310 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.458 -6.019 6.782 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.654 -6.138 7.619 1.00 0.00 H new ATOM 0 HG3 LYS B 20 7.172 -4.524 8.100 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.294 -5.883 10.286 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.574 -6.973 9.794 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.131 -3.997 9.950 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.113 -4.949 11.421 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 10.317 -4.830 10.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 9.754 -6.432 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 9.771 -5.510 9.024 1.00 0.00 H new ATOM 1494 N GLN B 21 5.808 -2.680 8.554 1.00 0.00 N ATOM 1495 CA GLN B 21 6.477 -1.608 9.271 1.00 0.00 C ATOM 1496 C GLN B 21 5.428 -0.722 9.946 1.00 0.00 C ATOM 1497 O GLN B 21 5.706 -0.207 11.040 1.00 0.00 O ATOM 1498 CB GLN B 21 7.375 -0.786 8.344 1.00 0.00 C ATOM 1499 CG GLN B 21 8.735 -0.522 8.991 1.00 0.00 C ATOM 1500 CD GLN B 21 9.756 -1.583 8.575 1.00 0.00 C ATOM 1501 OE1 GLN B 21 10.955 -1.359 8.571 1.00 0.00 O ATOM 1502 NE2 GLN B 21 9.215 -2.746 8.226 1.00 0.00 N ATOM 0 H GLN B 21 5.803 -2.567 7.540 1.00 0.00 H new ATOM 0 HA GLN B 21 7.123 -2.045 10.032 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.513 -1.316 7.402 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.890 0.161 8.108 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.094 0.466 8.702 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.631 -0.518 10.076 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.202 -2.866 8.252 1.00 0.00 H new ATOM 0 HE22 GLN B 21 9.812 -3.519 7.932 1.00 0.00 H new ATOM 1511 N VAL B 22 4.263 -0.563 9.293 1.00 0.00 N ATOM 1512 CA VAL B 22 3.186 0.254 9.828 1.00 0.00 C ATOM 1513 C VAL B 22 2.717 -0.335 11.159 1.00 0.00 C ATOM 1514 O VAL B 22 2.533 0.435 12.112 1.00 0.00 O ATOM 1515 CB VAL B 22 2.061 0.374 8.797 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.829 -0.419 9.237 1.00 0.00 C ATOM 1517 CG2 VAL B 22 1.707 1.841 8.542 1.00 0.00 C ATOM 0 H VAL B 22 4.054 -0.995 8.393 1.00 0.00 H new ATOM 0 HA VAL B 22 3.537 1.267 10.027 1.00 0.00 H new ATOM 0 HB VAL B 22 2.417 -0.053 7.859 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.044 -0.317 8.487 1.00 0.00 H new ATOM 0 HG12 VAL B 22 1.093 -1.471 9.346 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.471 -0.034 10.192 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.905 1.899 7.806 1.00 0.00 H new ATOM 0 HG22 VAL B 22 1.379 2.303 9.473 1.00 0.00 H new ATOM 0 HG23 VAL B 22 2.584 2.367 8.165 1.00 0.00 H new ATOM 1527 N VAL B 23 2.535 -1.667 11.197 1.00 0.00 N ATOM 1528 CA VAL B 23 2.092 -2.350 12.401 1.00 0.00 C ATOM 1529 C VAL B 23 3.254 -2.433 13.392 1.00 0.00 C ATOM 1530 O VAL B 23 3.014 -2.270 14.598 1.00 0.00 O ATOM 1531 CB VAL B 23 1.514 -3.720 12.042 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.639 -4.259 13.175 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.734 -3.660 10.728 1.00 0.00 C ATOM 0 H VAL B 23 2.691 -2.283 10.400 1.00 0.00 H new ATOM 0 HA VAL B 23 1.291 -1.790 12.885 1.00 0.00 H new ATOM 0 HB VAL B 23 2.347 -4.409 11.905 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.240 -5.234 12.895 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.237 -4.358 14.081 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -0.185 -3.569 13.358 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.334 -4.647 10.497 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.087 -2.949 10.824 1.00 0.00 H new ATOM 0 HG23 VAL B 23 1.398 -3.340 9.925 1.00 0.00 H new ATOM 1543 N ASP B 24 4.471 -2.680 12.876 1.00 0.00 N ATOM 1544 CA ASP B 24 5.657 -2.782 13.709 1.00 0.00 C ATOM 1545 C ASP B 24 5.987 -1.406 14.289 1.00 0.00 C ATOM 1546 O ASP B 24 7.034 -1.275 14.941 1.00 0.00 O ATOM 1547 CB ASP B 24 6.863 -3.255 12.896 1.00 0.00 C ATOM 1548 CG ASP B 24 8.117 -3.562 13.718 1.00 0.00 C ATOM 1549 OD1 ASP B 24 8.302 -4.690 14.200 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.934 -2.574 13.858 1.00 0.00 O ATOM 0 H ASP B 24 4.647 -2.811 11.880 1.00 0.00 H new ATOM 0 HA ASP B 24 5.452 -3.503 14.501 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.581 -4.151 12.343 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.108 -2.490 12.159 1.00 0.00 H new ATOM 1555 N GLN B 25 5.103 -0.421 14.046 1.00 0.00 N ATOM 1556 CA GLN B 25 5.299 0.931 14.541 1.00 0.00 C ATOM 1557 C GLN B 25 4.073 1.357 15.350 1.00 0.00 C ATOM 1558 O GLN B 25 3.887 2.566 15.546 1.00 0.00 O ATOM 1559 CB GLN B 25 5.571 1.912 13.400 1.00 0.00 C ATOM 1560 CG GLN B 25 7.074 2.072 13.160 1.00 0.00 C ATOM 1561 CD GLN B 25 7.454 3.547 13.020 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.649 4.391 12.661 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.722 3.810 13.324 1.00 0.00 N ATOM 0 H GLN B 25 4.247 -0.549 13.507 1.00 0.00 H new ATOM 0 HA GLN B 25 6.177 0.943 15.187 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.089 1.558 12.489 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.132 2.881 13.637 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.627 1.627 13.987 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.361 1.532 12.258 1.00 0.00 H new ATOM 0 HE21 GLN B 25 9.343 3.056 13.618 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.073 4.766 13.263 1.00 0.00 H new ATOM 1572 N GLU B 26 3.275 0.370 15.797 1.00 0.00 N ATOM 1573 CA GLU B 26 2.079 0.642 16.577 1.00 0.00 C ATOM 1574 C GLU B 26 1.410 1.914 16.052 1.00 0.00 C ATOM 1575 O GLU B 26 0.911 2.699 16.870 1.00 0.00 O ATOM 1576 CB GLU B 26 2.397 0.766 18.069 1.00 0.00 C ATOM 1577 CG GLU B 26 2.806 2.196 18.425 1.00 0.00 C ATOM 1578 CD GLU B 26 3.990 2.202 19.395 1.00 0.00 C ATOM 1579 OE1 GLU B 26 3.949 1.294 20.310 1.00 0.00 O ATOM 1580 OE2 GLU B 26 4.892 3.041 19.265 1.00 0.00 O ATOM 0 H GLU B 26 3.447 -0.621 15.625 1.00 0.00 H new ATOM 0 HA GLU B 26 1.392 -0.197 16.467 1.00 0.00 H new ATOM 0 HB2 GLU B 26 1.525 0.477 18.656 1.00 0.00 H new ATOM 0 HB3 GLU B 26 3.201 0.078 18.332 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.072 2.739 17.518 1.00 0.00 H new ATOM 0 HG3 GLU B 26 1.961 2.719 18.873 1.00 0.00 H new ATOM 1587 N LEU B 27 1.414 2.089 14.718 1.00 0.00 N ATOM 1588 CA LEU B 27 0.811 3.255 14.092 1.00 0.00 C ATOM 1589 C LEU B 27 -0.457 2.831 13.349 1.00 0.00 C ATOM 1590 O LEU B 27 -1.222 3.715 12.938 1.00 0.00 O ATOM 1591 CB LEU B 27 1.831 3.974 13.208 1.00 0.00 C ATOM 1592 CG LEU B 27 1.801 3.614 11.721 1.00 0.00 C ATOM 1593 CD1 LEU B 27 0.977 4.630 10.928 1.00 0.00 C ATOM 1594 CD2 LEU B 27 3.219 3.466 11.165 1.00 0.00 C ATOM 0 H LEU B 27 1.832 1.430 14.061 1.00 0.00 H new ATOM 0 HA LEU B 27 0.510 3.981 14.847 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.673 5.048 13.305 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.829 3.763 13.593 1.00 0.00 H new ATOM 0 HG LEU B 27 1.310 2.647 11.613 1.00 0.00 H new ATOM 0 HD11 LEU B 27 0.972 4.351 9.874 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.046 4.643 11.305 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.417 5.621 11.039 1.00 0.00 H new ATOM 0 HD21 LEU B 27 3.170 3.210 10.107 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.757 4.406 11.286 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.741 2.676 11.705 1.00 0.00 H new ATOM 1606 N GLY B 28 -0.652 1.509 13.196 1.00 0.00 N ATOM 1607 CA GLY B 28 -1.817 0.978 12.509 1.00 0.00 C ATOM 1608 C GLY B 28 -3.074 1.300 13.321 1.00 0.00 C ATOM 1609 O GLY B 28 -3.031 2.246 14.122 1.00 0.00 O ATOM 0 H GLY B 28 -0.010 0.797 13.544 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -1.894 1.411 11.512 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -1.718 -0.100 12.382 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.148 0.522 13.102 1.00 0.00 N ATOM 1614 CA ASP B 29 -5.402 0.723 13.808 1.00 0.00 C ATOM 1615 C ASP B 29 -5.963 -0.633 14.240 1.00 0.00 C ATOM 1616 O ASP B 29 -6.336 -0.770 15.414 1.00 0.00 O ATOM 1617 CB ASP B 29 -6.438 1.399 12.909 1.00 0.00 C ATOM 1618 CG ASP B 29 -7.873 1.367 13.438 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.113 1.535 14.643 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -8.780 1.156 12.545 1.00 0.00 O ATOM 0 H ASP B 29 -4.161 -0.251 12.437 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.204 1.359 14.671 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.145 2.438 12.760 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -6.417 0.919 11.931 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.011 -1.592 13.298 1.00 0.00 N ATOM 1626 CA ALA B 30 -6.522 -2.923 13.579 1.00 0.00 C ATOM 1627 C ALA B 30 -6.707 -3.683 12.264 1.00 0.00 C ATOM 1628 O ALA B 30 -6.364 -4.873 12.216 1.00 0.00 O ATOM 1629 CB ALA B 30 -7.910 -2.819 14.214 1.00 0.00 C ATOM 0 H ALA B 30 -5.698 -1.458 12.336 1.00 0.00 H new ATOM 0 HA ALA B 30 -5.819 -3.429 14.241 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -8.290 -3.819 14.423 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -7.843 -2.254 15.144 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -8.587 -2.310 13.528 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.238 -2.990 11.239 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.480 -3.562 9.926 1.00 0.00 C ATOM 1637 C PRO B 31 -6.171 -3.721 9.148 1.00 0.00 C ATOM 1638 O PRO B 31 -6.121 -4.570 8.246 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.457 -2.610 9.256 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.367 -1.306 10.032 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.632 -1.588 11.333 1.00 0.00 C ATOM 0 HA PRO B 31 -7.896 -4.568 9.975 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.199 -2.459 8.208 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.471 -3.010 9.280 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -7.838 -0.551 9.450 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.363 -0.912 10.234 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -6.763 -0.939 11.446 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.274 -1.414 12.196 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.156 -2.915 9.506 1.00 0.00 N ATOM 1650 CA PHE B 32 -3.863 -2.965 8.847 1.00 0.00 C ATOM 1651 C PHE B 32 -3.181 -4.296 9.174 1.00 0.00 C ATOM 1652 O PHE B 32 -2.603 -4.903 8.261 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.004 -1.778 9.322 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.175 -0.503 8.508 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.214 -0.399 7.554 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.290 0.583 8.697 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.367 0.782 6.798 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.445 1.765 7.941 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.483 1.864 6.992 1.00 0.00 C ATOM 0 H PHE B 32 -5.219 -2.223 10.252 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.988 -2.894 7.767 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.248 -1.564 10.363 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -1.955 -2.072 9.295 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -4.892 -1.226 7.404 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.493 0.508 9.422 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -5.161 0.858 6.070 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.768 2.594 8.090 1.00 0.00 H new ATOM 0 HZ PHE B 32 -3.601 2.768 6.414 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.259 -4.715 10.450 1.00 0.00 N ATOM 1670 CA LEU B 33 -2.654 -5.960 10.890 1.00 0.00 C ATOM 1671 C LEU B 33 -3.501 -7.135 10.399 1.00 0.00 C ATOM 1672 O LEU B 33 -2.922 -8.117 9.910 1.00 0.00 O ATOM 1673 CB LEU B 33 -2.441 -5.946 12.405 1.00 0.00 C ATOM 1674 CG LEU B 33 -1.906 -7.242 13.019 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -0.742 -7.799 12.197 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -1.525 -7.036 14.486 1.00 0.00 C ATOM 0 H LEU B 33 -3.739 -4.199 11.187 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.662 -6.077 10.453 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -1.749 -5.140 12.647 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -3.390 -5.705 12.883 1.00 0.00 H new ATOM 0 HG LEU B 33 -2.702 -7.986 12.994 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.381 -8.720 12.655 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.080 -8.007 11.182 1.00 0.00 H new ATOM 0 HD13 LEU B 33 0.065 -7.067 12.167 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.148 -7.972 14.899 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -0.752 -6.270 14.557 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -2.403 -6.719 15.049 1.00 0.00 H new ATOM 1688 N ASP B 34 -4.834 -7.015 10.537 1.00 0.00 N ATOM 1689 CA ASP B 34 -5.749 -8.061 10.110 1.00 0.00 C ATOM 1690 C ASP B 34 -5.572 -8.307 8.611 1.00 0.00 C ATOM 1691 O ASP B 34 -5.257 -9.445 8.233 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.203 -7.652 10.354 1.00 0.00 C ATOM 1693 CG ASP B 34 -7.635 -7.640 11.821 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -6.667 -7.668 12.674 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -8.834 -7.605 12.134 1.00 0.00 O ATOM 0 H ASP B 34 -5.291 -6.198 10.943 1.00 0.00 H new ATOM 0 HA ASP B 34 -5.526 -8.960 10.684 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -7.359 -6.657 9.937 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -7.853 -8.333 9.805 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.774 -7.253 7.800 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.637 -7.356 6.356 1.00 0.00 C ATOM 1702 C ARG B 35 -4.235 -7.866 6.016 1.00 0.00 C ATOM 1703 O ARG B 35 -4.127 -8.788 5.194 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.860 -6.005 5.672 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.352 -5.681 5.573 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.598 -4.178 5.719 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.458 -3.422 5.154 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.587 -2.322 4.382 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.815 -1.870 4.096 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.503 -1.693 3.909 1.00 0.00 N ATOM 0 H ARG B 35 -6.033 -6.324 8.131 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.395 -8.051 5.993 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -5.350 -5.221 6.232 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.421 -6.021 4.675 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.740 -6.025 4.614 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.897 -6.219 6.349 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.519 -3.900 5.207 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -7.729 -3.923 6.771 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.516 -3.753 5.361 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.635 -2.356 4.460 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.930 -1.040 3.514 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.572 -2.045 4.131 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.609 -0.863 3.326 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.207 -7.267 6.643 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.828 -7.658 6.408 1.00 0.00 C ATOM 1726 C LEU B 36 -1.670 -9.153 6.696 1.00 0.00 C ATOM 1727 O LEU B 36 -0.969 -9.831 5.931 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.875 -6.773 7.214 1.00 0.00 C ATOM 1729 CG LEU B 36 0.592 -7.209 7.232 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.172 -7.241 5.817 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.415 -6.324 8.169 1.00 0.00 C ATOM 0 H LEU B 36 -3.318 -6.509 7.316 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.562 -7.504 5.362 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.927 -5.760 6.816 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.233 -6.730 8.243 1.00 0.00 H new ATOM 0 HG LEU B 36 0.642 -8.225 7.623 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.215 -7.554 5.858 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.606 -7.945 5.208 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.109 -6.247 5.375 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.453 -6.655 8.163 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.362 -5.289 7.831 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.017 -6.396 9.181 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.315 -9.630 7.777 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.247 -11.029 8.159 1.00 0.00 C ATOM 1745 C ARG B 37 -2.767 -11.894 7.008 1.00 0.00 C ATOM 1746 O ARG B 37 -2.031 -12.785 6.561 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.075 -11.312 9.414 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.170 -11.574 10.620 1.00 0.00 C ATOM 1749 CD ARG B 37 -2.850 -11.137 11.920 1.00 0.00 C ATOM 1750 NE ARG B 37 -3.867 -12.135 12.319 1.00 0.00 N ATOM 1751 CZ ARG B 37 -5.034 -11.825 12.922 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -5.310 -10.540 13.184 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -5.905 -12.788 13.253 1.00 0.00 N ATOM 0 H ARG B 37 -2.888 -9.055 8.395 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.206 -11.269 8.377 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -3.728 -10.464 9.622 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -3.718 -12.175 9.243 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -1.925 -12.635 10.672 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.230 -11.036 10.498 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -2.107 -11.027 12.710 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -3.318 -10.162 11.785 1.00 0.00 H new ATOM 0 HE ARG B 37 -3.674 -13.118 12.126 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -4.642 -9.813 12.928 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -6.188 -10.289 13.639 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.688 -13.764 13.049 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -6.785 -12.545 13.709 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.005 -11.618 6.560 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.614 -12.366 5.473 1.00 0.00 C ATOM 1769 C ARG B 38 -3.785 -12.175 4.201 1.00 0.00 C ATOM 1770 O ARG B 38 -3.756 -13.097 3.372 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.050 -11.909 5.209 1.00 0.00 C ATOM 1772 CG ARG B 38 -6.856 -11.859 6.508 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.338 -12.139 6.246 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.716 -13.448 6.824 1.00 0.00 N ATOM 1775 CZ ARG B 38 -9.973 -13.780 7.186 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -10.955 -12.884 7.022 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.234 -14.989 7.702 1.00 0.00 N ATOM 0 H ARG B 38 -4.595 -10.879 6.942 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.639 -13.417 5.760 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -6.042 -10.923 4.743 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.529 -12.590 4.506 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.463 -12.592 7.212 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.744 -10.879 6.972 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -8.949 -11.349 6.683 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.533 -12.136 5.174 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.981 -14.142 6.957 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.747 -11.966 6.628 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -11.910 -13.120 7.291 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.480 -15.665 7.823 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.187 -15.233 7.973 1.00 0.00 H new ATOM 1791 N ASP B 39 -3.137 -11.004 4.075 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.316 -10.699 2.916 1.00 0.00 C ATOM 1793 C ASP B 39 -1.051 -11.559 2.950 1.00 0.00 C ATOM 1794 O ASP B 39 -0.569 -11.944 1.874 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.887 -9.230 2.915 1.00 0.00 C ATOM 1796 CG ASP B 39 -1.756 -8.595 1.529 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -2.669 -8.689 0.695 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -0.645 -7.975 1.316 1.00 0.00 O ATOM 0 H ASP B 39 -3.173 -10.258 4.770 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.907 -10.904 2.023 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.610 -8.656 3.494 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.929 -9.147 3.428 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.548 -11.842 4.165 1.00 0.00 N ATOM 1804 CA GLN B 40 0.648 -12.649 4.336 1.00 0.00 C ATOM 1805 C GLN B 40 0.410 -14.037 3.737 1.00 0.00 C ATOM 1806 O GLN B 40 1.103 -14.390 2.772 1.00 0.00 O ATOM 1807 CB GLN B 40 1.055 -12.749 5.807 1.00 0.00 C ATOM 1808 CG GLN B 40 2.208 -13.737 5.992 1.00 0.00 C ATOM 1809 CD GLN B 40 3.558 -13.052 5.768 1.00 0.00 C ATOM 1810 OE1 GLN B 40 4.382 -12.942 6.662 1.00 0.00 O ATOM 1811 NE2 GLN B 40 3.737 -12.599 4.531 1.00 0.00 N ATOM 0 H GLN B 40 -0.962 -11.517 5.039 1.00 0.00 H new ATOM 0 HA GLN B 40 1.473 -12.166 3.812 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.352 -11.766 6.173 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.200 -13.067 6.404 1.00 0.00 H new ATOM 0 HG2 GLN B 40 2.172 -14.159 6.996 1.00 0.00 H new ATOM 0 HG3 GLN B 40 2.097 -14.566 5.294 1.00 0.00 H new ATOM 0 HE21 GLN B 40 3.006 -12.725 3.831 1.00 0.00 H new ATOM 0 HE22 GLN B 40 4.606 -12.126 4.282 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.549 -14.785 4.312 1.00 0.00 N ATOM 1821 CA LYS B 41 -0.872 -16.119 3.839 1.00 0.00 C ATOM 1822 C LYS B 41 -1.090 -16.081 2.325 1.00 0.00 C ATOM 1823 O LYS B 41 -0.609 -16.993 1.637 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.060 -16.690 4.616 1.00 0.00 C ATOM 1825 CG LYS B 41 -1.796 -18.138 5.037 1.00 0.00 C ATOM 1826 CD LYS B 41 -2.922 -19.060 4.567 1.00 0.00 C ATOM 1827 CE LYS B 41 -2.851 -19.285 3.055 1.00 0.00 C ATOM 1828 NZ LYS B 41 -3.101 -20.699 2.732 1.00 0.00 N ATOM 0 H LYS B 41 -1.109 -14.476 5.107 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.041 -16.800 4.025 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -2.249 -16.080 5.499 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -2.958 -16.645 4.000 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -0.847 -18.475 4.619 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -1.704 -18.194 6.122 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -2.853 -20.017 5.084 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -3.886 -18.625 4.829 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -3.586 -18.656 2.553 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -1.870 -18.989 2.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -3.049 -20.834 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -2.384 -21.293 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.047 -20.970 3.070 1.00 0.00 H new ATOM 1842 N SER B 42 -1.797 -15.043 1.845 1.00 0.00 N ATOM 1843 CA SER B 42 -2.073 -14.890 0.426 1.00 0.00 C ATOM 1844 C SER B 42 -0.754 -14.716 -0.330 1.00 0.00 C ATOM 1845 O SER B 42 -0.618 -15.290 -1.419 1.00 0.00 O ATOM 1846 CB SER B 42 -2.998 -13.701 0.160 1.00 0.00 C ATOM 1847 OG SER B 42 -3.644 -13.799 -1.106 1.00 0.00 O ATOM 0 H SER B 42 -2.184 -14.302 2.429 1.00 0.00 H new ATOM 0 HA SER B 42 -2.583 -15.787 0.074 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.750 -13.644 0.947 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.422 -12.777 0.202 1.00 0.00 H new ATOM 0 HG SER B 42 -4.227 -13.022 -1.237 1.00 0.00 H new ATOM 1853 N LEU B 43 0.175 -13.937 0.252 1.00 0.00 N ATOM 1854 CA LEU B 43 1.468 -13.690 -0.361 1.00 0.00 C ATOM 1855 C LEU B 43 2.243 -15.007 -0.453 1.00 0.00 C ATOM 1856 O LEU B 43 2.643 -15.379 -1.566 1.00 0.00 O ATOM 1857 CB LEU B 43 2.217 -12.588 0.389 1.00 0.00 C ATOM 1858 CG LEU B 43 3.242 -11.796 -0.427 1.00 0.00 C ATOM 1859 CD1 LEU B 43 2.557 -10.709 -1.259 1.00 0.00 C ATOM 1860 CD2 LEU B 43 4.337 -11.224 0.473 1.00 0.00 C ATOM 0 H LEU B 43 0.042 -13.471 1.150 1.00 0.00 H new ATOM 0 HA LEU B 43 1.342 -13.320 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.485 -11.888 0.792 1.00 0.00 H new ATOM 0 HB3 LEU B 43 2.729 -13.038 1.239 1.00 0.00 H new ATOM 0 HG LEU B 43 3.725 -12.480 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.307 -10.161 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU B 43 1.845 -11.170 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.031 -10.022 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU B 43 5.051 -10.666 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.890 -10.559 1.212 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.851 -12.039 0.983 1.00 0.00 H new ATOM 1872 N ARG B 44 2.438 -15.673 0.699 1.00 0.00 N ATOM 1873 CA ARG B 44 3.158 -16.934 0.748 1.00 0.00 C ATOM 1874 C ARG B 44 2.728 -17.807 -0.432 1.00 0.00 C ATOM 1875 O ARG B 44 3.609 -18.349 -1.116 1.00 0.00 O ATOM 1876 CB ARG B 44 2.890 -17.685 2.054 1.00 0.00 C ATOM 1877 CG ARG B 44 3.893 -18.824 2.246 1.00 0.00 C ATOM 1878 CD ARG B 44 4.773 -18.580 3.473 1.00 0.00 C ATOM 1879 NE ARG B 44 4.072 -19.029 4.696 1.00 0.00 N ATOM 1880 CZ ARG B 44 4.667 -19.699 5.706 1.00 0.00 C ATOM 1881 NH1 ARG B 44 5.973 -19.986 5.615 1.00 0.00 N ATOM 1882 NH2 ARG B 44 3.961 -20.072 6.783 1.00 0.00 N ATOM 0 H ARG B 44 2.101 -15.348 1.605 1.00 0.00 H new ATOM 0 HA ARG B 44 4.225 -16.717 0.694 1.00 0.00 H new ATOM 0 HB2 ARG B 44 2.953 -16.994 2.895 1.00 0.00 H new ATOM 0 HB3 ARG B 44 1.876 -18.086 2.046 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.359 -19.768 2.359 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.519 -18.916 1.358 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.716 -19.116 3.367 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.016 -17.520 3.552 1.00 0.00 H new ATOM 0 HE ARG B 44 3.077 -18.819 4.782 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.502 -19.699 4.792 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.438 -20.492 6.369 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.967 -19.850 6.843 1.00 0.00 H new ATOM 0 HH22 ARG B 44 4.418 -20.578 7.542 1.00 0.00 H new ATOM 1896 N GLY B 45 1.406 -17.925 -0.645 1.00 0.00 N ATOM 1897 CA GLY B 45 0.869 -18.725 -1.732 1.00 0.00 C ATOM 1898 C GLY B 45 1.321 -18.131 -3.068 1.00 0.00 C ATOM 1899 O GLY B 45 1.787 -18.896 -3.926 1.00 0.00 O ATOM 0 H GLY B 45 0.697 -17.470 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY B 45 1.212 -19.756 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.220 -18.746 -1.680 1.00 0.00 H new ATOM 1903 N ARG B 46 1.177 -16.802 -3.216 1.00 0.00 N ATOM 1904 CA ARG B 46 1.568 -16.116 -4.436 1.00 0.00 C ATOM 1905 C ARG B 46 3.044 -16.397 -4.723 1.00 0.00 C ATOM 1906 O ARG B 46 3.332 -17.075 -5.721 1.00 0.00 O ATOM 1907 CB ARG B 46 1.356 -14.605 -4.326 1.00 0.00 C ATOM 1908 CG ARG B 46 -0.108 -14.237 -4.577 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.270 -12.727 -4.762 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.037 -12.448 -5.997 1.00 0.00 N ATOM 1911 CZ ARG B 46 -0.871 -11.345 -6.758 1.00 0.00 C ATOM 1912 NH1 ARG B 46 0.039 -10.433 -6.390 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -1.607 -11.165 -7.863 1.00 0.00 N ATOM 0 H ARG B 46 0.790 -16.190 -2.497 1.00 0.00 H new ATOM 0 HA ARG B 46 0.943 -16.488 -5.248 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.656 -14.263 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG B 46 1.992 -14.091 -5.047 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.470 -14.757 -5.464 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.720 -14.572 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.784 -12.300 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.709 -12.252 -4.817 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.734 -13.132 -6.291 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.594 -10.578 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG B 46 0.177 -9.594 -6.954 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -2.299 -11.864 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -1.476 -10.329 -8.433 1.00 0.00 H new ATOM 1927 N GLY B 47 3.935 -15.881 -3.858 1.00 0.00 N ATOM 1928 CA GLY B 47 5.366 -16.075 -4.018 1.00 0.00 C ATOM 1929 C GLY B 47 5.656 -17.566 -4.205 1.00 0.00 C ATOM 1930 O GLY B 47 6.150 -17.939 -5.278 1.00 0.00 O ATOM 0 H GLY B 47 3.677 -15.326 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY B 47 5.727 -15.512 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.896 -15.696 -3.144 1.00 0.00 H new ATOM 1934 N SER B 48 5.348 -18.373 -3.174 1.00 0.00 N ATOM 1935 CA SER B 48 5.574 -19.808 -3.226 1.00 0.00 C ATOM 1936 C SER B 48 5.236 -20.323 -4.626 1.00 0.00 C ATOM 1937 O SER B 48 6.128 -20.883 -5.280 1.00 0.00 O ATOM 1938 CB SER B 48 4.742 -20.544 -2.174 1.00 0.00 C ATOM 1939 OG SER B 48 5.000 -21.946 -2.174 1.00 0.00 O ATOM 0 H SER B 48 4.942 -18.044 -2.298 1.00 0.00 H new ATOM 0 HA SER B 48 6.624 -20.001 -3.007 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.961 -20.135 -1.188 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.683 -20.370 -2.363 1.00 0.00 H new ATOM 0 HG SER B 48 4.451 -22.380 -1.488 1.00 0.00 H new ATOM 1945 N THR B 49 3.974 -20.127 -5.052 1.00 0.00 N ATOM 1946 CA THR B 49 3.527 -20.569 -6.362 1.00 0.00 C ATOM 1947 C THR B 49 4.631 -20.308 -7.388 1.00 0.00 C ATOM 1948 O THR B 49 4.994 -21.245 -8.115 1.00 0.00 O ATOM 1949 CB THR B 49 2.211 -19.862 -6.692 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.208 -20.747 -6.202 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.944 -19.793 -8.197 1.00 0.00 C ATOM 0 H THR B 49 3.254 -19.663 -4.498 1.00 0.00 H new ATOM 0 HA THR B 49 3.333 -21.642 -6.379 1.00 0.00 H new ATOM 0 HB THR B 49 2.229 -18.853 -6.280 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.001 -20.523 -5.271 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.998 -19.282 -8.376 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.750 -19.245 -8.685 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.893 -20.803 -8.604 1.00 0.00 H new ATOM 1959 N LEU B 50 5.136 -19.062 -7.426 1.00 0.00 N ATOM 1960 CA LEU B 50 6.188 -18.686 -8.355 1.00 0.00 C ATOM 1961 C LEU B 50 7.491 -19.378 -7.951 1.00 0.00 C ATOM 1962 O LEU B 50 8.009 -20.171 -8.750 1.00 0.00 O ATOM 1963 CB LEU B 50 6.304 -17.163 -8.445 1.00 0.00 C ATOM 1964 CG LEU B 50 6.064 -16.552 -9.828 1.00 0.00 C ATOM 1965 CD1 LEU B 50 5.999 -15.026 -9.750 1.00 0.00 C ATOM 1966 CD2 LEU B 50 7.119 -17.030 -10.828 1.00 0.00 C ATOM 0 H LEU B 50 4.824 -18.305 -6.818 1.00 0.00 H new ATOM 0 HA LEU B 50 5.945 -19.025 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.592 -16.722 -7.747 1.00 0.00 H new ATOM 0 HB3 LEU B 50 7.300 -16.874 -8.110 1.00 0.00 H new ATOM 0 HG LEU B 50 5.096 -16.897 -10.191 1.00 0.00 H new ATOM 0 HD11 LEU B 50 5.828 -14.618 -10.746 1.00 0.00 H new ATOM 0 HD12 LEU B 50 5.183 -14.730 -9.091 1.00 0.00 H new ATOM 0 HD13 LEU B 50 6.940 -14.641 -9.357 1.00 0.00 H new ATOM 0 HD21 LEU B 50 6.926 -16.582 -11.803 1.00 0.00 H new ATOM 0 HD22 LEU B 50 8.109 -16.734 -10.482 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.074 -18.116 -10.913 1.00 0.00 H new ATOM 1978 N GLY B 51 7.986 -19.071 -6.739 1.00 0.00 N ATOM 1979 CA GLY B 51 9.216 -19.659 -6.237 1.00 0.00 C ATOM 1980 C GLY B 51 10.375 -18.688 -6.474 1.00 0.00 C ATOM 1981 O GLY B 51 11.529 -19.140 -6.482 1.00 0.00 O ATOM 0 H GLY B 51 7.543 -18.415 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY B 51 9.121 -19.877 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY B 51 9.411 -20.606 -6.740 1.00 0.00 H new ATOM 1985 N LEU B 52 10.049 -17.396 -6.657 1.00 0.00 N ATOM 1986 CA LEU B 52 11.056 -16.374 -6.891 1.00 0.00 C ATOM 1987 C LEU B 52 11.756 -16.042 -5.571 1.00 0.00 C ATOM 1988 O LEU B 52 12.594 -16.842 -5.130 1.00 0.00 O ATOM 1989 CB LEU B 52 10.435 -15.158 -7.581 1.00 0.00 C ATOM 1990 CG LEU B 52 9.891 -15.393 -8.992 1.00 0.00 C ATOM 1991 CD1 LEU B 52 9.462 -14.075 -9.640 1.00 0.00 C ATOM 1992 CD2 LEU B 52 10.904 -16.151 -9.851 1.00 0.00 C ATOM 0 H LEU B 52 9.091 -17.046 -6.645 1.00 0.00 H new ATOM 0 HA LEU B 52 11.821 -16.742 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU B 52 9.622 -14.787 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU B 52 11.186 -14.369 -7.629 1.00 0.00 H new ATOM 0 HG LEU B 52 9.002 -16.019 -8.916 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.079 -14.270 -10.642 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.682 -13.610 -9.037 1.00 0.00 H new ATOM 0 HD13 LEU B 52 10.319 -13.405 -9.703 1.00 0.00 H new ATOM 0 HD21 LEU B 52 10.492 -16.305 -10.848 1.00 0.00 H new ATOM 0 HD22 LEU B 52 11.825 -15.572 -9.924 1.00 0.00 H new ATOM 0 HD23 LEU B 52 11.118 -17.117 -9.394 1.00 0.00 H new ATOM 2004 N ASN B 53 11.402 -14.888 -4.977 1.00 0.00 N ATOM 2005 CA ASN B 53 11.991 -14.457 -3.720 1.00 0.00 C ATOM 2006 C ASN B 53 11.235 -13.233 -3.200 1.00 0.00 C ATOM 2007 O ASN B 53 11.448 -12.137 -3.738 1.00 0.00 O ATOM 2008 CB ASN B 53 13.458 -14.063 -3.906 1.00 0.00 C ATOM 2009 CG ASN B 53 14.366 -14.875 -2.979 1.00 0.00 C ATOM 2010 OD1 ASN B 53 15.297 -15.538 -3.404 1.00 0.00 O ATOM 2011 ND2 ASN B 53 14.042 -14.786 -1.692 1.00 0.00 N ATOM 0 H ASN B 53 10.708 -14.244 -5.357 1.00 0.00 H new ATOM 0 HA ASN B 53 11.927 -15.286 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.753 -14.225 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.581 -12.999 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN B 53 14.586 -15.291 -0.993 1.00 0.00 H new ATOM 0 HD22 ASN B 53 13.249 -14.212 -1.404 1.00 0.00 H new ATOM 2018 N ILE B 54 10.380 -13.440 -2.183 1.00 0.00 N ATOM 2019 CA ILE B 54 9.603 -12.362 -1.599 1.00 0.00 C ATOM 2020 C ILE B 54 10.484 -11.118 -1.463 1.00 0.00 C ATOM 2021 O ILE B 54 10.020 -10.024 -1.816 1.00 0.00 O ATOM 2022 CB ILE B 54 8.966 -12.812 -0.282 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.643 -13.538 -0.533 1.00 0.00 C ATOM 2024 CG2 ILE B 54 8.798 -11.632 0.677 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.869 -14.833 -1.318 1.00 0.00 C ATOM 0 H ILE B 54 10.218 -14.352 -1.756 1.00 0.00 H new ATOM 0 HA ILE B 54 8.773 -12.095 -2.253 1.00 0.00 H new ATOM 0 HB ILE B 54 9.639 -13.524 0.197 1.00 0.00 H new ATOM 0 HG12 ILE B 54 7.162 -13.764 0.419 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.966 -12.887 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.343 -11.979 1.605 1.00 0.00 H new ATOM 0 HG22 ILE B 54 9.774 -11.196 0.892 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.157 -10.879 0.218 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.913 -15.330 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.328 -14.601 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE B 54 8.527 -15.492 -0.751 1.00 0.00 H new ATOM 2037 N GLU B 55 11.717 -11.307 -0.961 1.00 0.00 N ATOM 2038 CA GLU B 55 12.652 -10.209 -0.780 1.00 0.00 C ATOM 2039 C GLU B 55 12.968 -9.585 -2.142 1.00 0.00 C ATOM 2040 O GLU B 55 12.670 -8.397 -2.328 1.00 0.00 O ATOM 2041 CB GLU B 55 13.931 -10.669 -0.079 1.00 0.00 C ATOM 2042 CG GLU B 55 14.227 -9.800 1.146 1.00 0.00 C ATOM 2043 CD GLU B 55 15.587 -10.154 1.753 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.468 -10.572 0.910 1.00 0.00 O ATOM 2045 OE2 GLU B 55 15.772 -10.031 2.973 1.00 0.00 O ATOM 0 H GLU B 55 12.080 -12.217 -0.676 1.00 0.00 H new ATOM 0 HA GLU B 55 12.190 -9.459 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU B 55 13.829 -11.711 0.226 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.769 -10.621 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU B 55 14.214 -8.748 0.862 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.445 -9.938 1.892 1.00 0.00 H new ATOM 2052 N ALA B 56 13.552 -10.386 -3.050 1.00 0.00 N ATOM 2053 CA ALA B 56 13.904 -9.915 -4.379 1.00 0.00 C ATOM 2054 C ALA B 56 12.733 -9.118 -4.959 1.00 0.00 C ATOM 2055 O ALA B 56 12.910 -7.921 -5.229 1.00 0.00 O ATOM 2056 CB ALA B 56 14.111 -11.111 -5.311 1.00 0.00 C ATOM 0 H ALA B 56 13.786 -11.363 -2.876 1.00 0.00 H new ATOM 0 HA ALA B 56 14.807 -9.309 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.375 -10.755 -6.307 1.00 0.00 H new ATOM 0 HB2 ALA B 56 14.915 -11.738 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.191 -11.693 -5.366 1.00 0.00 H new ATOM 2062 N ALA B 57 11.579 -9.787 -5.135 1.00 0.00 N ATOM 2063 CA ALA B 57 10.392 -9.144 -5.677 1.00 0.00 C ATOM 2064 C ALA B 57 10.191 -7.793 -4.990 1.00 0.00 C ATOM 2065 O ALA B 57 10.329 -6.762 -5.665 1.00 0.00 O ATOM 2066 CB ALA B 57 9.157 -9.984 -5.346 1.00 0.00 C ATOM 0 H ALA B 57 11.454 -10.773 -4.906 1.00 0.00 H new ATOM 0 HA ALA B 57 10.519 -9.033 -6.754 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.269 -9.501 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.264 -10.976 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.058 -10.074 -4.264 1.00 0.00 H new ATOM 2072 N THR B 58 9.873 -7.823 -3.684 1.00 0.00 N ATOM 2073 CA THR B 58 9.654 -6.609 -2.916 1.00 0.00 C ATOM 2074 C THR B 58 10.789 -5.622 -3.197 1.00 0.00 C ATOM 2075 O THR B 58 10.546 -4.408 -3.127 1.00 0.00 O ATOM 2076 CB THR B 58 9.526 -6.982 -1.438 1.00 0.00 C ATOM 2077 OG1 THR B 58 8.624 -6.012 -0.912 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.822 -6.745 -0.659 1.00 0.00 C ATOM 0 H THR B 58 9.764 -8.683 -3.147 1.00 0.00 H new ATOM 0 HA THR B 58 8.728 -6.112 -3.207 1.00 0.00 H new ATOM 0 HB THR B 58 9.237 -8.030 -1.352 1.00 0.00 H new ATOM 0 HG1 THR B 58 9.112 -5.394 -0.328 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.676 -7.026 0.384 1.00 0.00 H new ATOM 0 HG22 THR B 58 11.621 -7.349 -1.089 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.093 -5.691 -0.716 1.00 0.00 H new ATOM 2086 N HIS B 59 11.986 -6.153 -3.506 1.00 0.00 N ATOM 2087 CA HIS B 59 13.145 -5.324 -3.794 1.00 0.00 C ATOM 2088 C HIS B 59 12.863 -4.475 -5.035 1.00 0.00 C ATOM 2089 O HIS B 59 12.770 -3.247 -4.901 1.00 0.00 O ATOM 2090 CB HIS B 59 14.406 -6.177 -3.932 1.00 0.00 C ATOM 2091 CG HIS B 59 15.641 -5.550 -3.329 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.852 -5.485 -3.996 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.837 -4.959 -2.115 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.732 -4.882 -3.209 1.00 0.00 C ATOM 2095 NE2 HIS B 59 17.101 -4.557 -2.044 1.00 0.00 N ATOM 0 H HIS B 59 12.165 -7.156 -3.560 1.00 0.00 H new ATOM 0 HA HIS B 59 13.330 -4.645 -2.961 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.233 -7.143 -3.457 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.588 -6.370 -4.989 1.00 0.00 H new ATOM 0 HD2 HIS B 59 15.091 -4.839 -1.343 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.766 -4.683 -3.448 1.00 0.00 H new ATOM 0 HE2 HIS B 59 17.530 -4.083 -1.249 1.00 0.00 H new ATOM 2103 N VAL B 60 12.735 -5.136 -6.200 1.00 0.00 N ATOM 2104 CA VAL B 60 12.467 -4.447 -7.451 1.00 0.00 C ATOM 2105 C VAL B 60 11.308 -3.468 -7.251 1.00 0.00 C ATOM 2106 O VAL B 60 11.382 -2.351 -7.783 1.00 0.00 O ATOM 2107 CB VAL B 60 12.204 -5.465 -8.562 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.194 -4.922 -9.575 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.508 -5.872 -9.253 1.00 0.00 C ATOM 0 H VAL B 60 12.815 -6.149 -6.289 1.00 0.00 H new ATOM 0 HA VAL B 60 13.335 -3.865 -7.760 1.00 0.00 H new ATOM 0 HB VAL B 60 11.774 -6.356 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.025 -5.665 -10.354 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.253 -4.705 -9.070 1.00 0.00 H new ATOM 0 HG13 VAL B 60 11.584 -4.008 -10.024 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.293 -6.596 -10.039 1.00 0.00 H new ATOM 0 HG22 VAL B 60 13.978 -4.991 -9.690 1.00 0.00 H new ATOM 0 HG23 VAL B 60 14.183 -6.319 -8.523 1.00 0.00 H new ATOM 2119 N GLY B 61 10.278 -3.899 -6.500 1.00 0.00 N ATOM 2120 CA GLY B 61 9.118 -3.066 -6.235 1.00 0.00 C ATOM 2121 C GLY B 61 9.569 -1.775 -5.547 1.00 0.00 C ATOM 2122 O GLY B 61 9.142 -0.696 -5.983 1.00 0.00 O ATOM 0 H GLY B 61 10.237 -4.823 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.602 -2.834 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.409 -3.600 -5.602 1.00 0.00 H new ATOM 2126 N LYS B 62 10.409 -1.908 -4.505 1.00 0.00 N ATOM 2127 CA LYS B 62 10.909 -0.761 -3.769 1.00 0.00 C ATOM 2128 C LYS B 62 11.517 0.244 -4.749 1.00 0.00 C ATOM 2129 O LYS B 62 11.403 1.454 -4.500 1.00 0.00 O ATOM 2130 CB LYS B 62 11.877 -1.210 -2.671 1.00 0.00 C ATOM 2131 CG LYS B 62 12.959 -0.155 -2.429 1.00 0.00 C ATOM 2132 CD LYS B 62 12.349 1.148 -1.910 1.00 0.00 C ATOM 2133 CE LYS B 62 12.964 2.360 -2.613 1.00 0.00 C ATOM 2134 NZ LYS B 62 13.838 3.102 -1.691 1.00 0.00 N ATOM 0 H LYS B 62 10.749 -2.806 -4.162 1.00 0.00 H new ATOM 0 HA LYS B 62 10.092 -0.253 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS B 62 11.327 -1.390 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.342 -2.154 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS B 62 13.685 -0.533 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.499 0.036 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.271 1.138 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.510 1.226 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.536 2.033 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS B 62 12.174 3.015 -2.980 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 14.247 3.921 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.283 3.431 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 14.603 2.479 -1.361 1.00 0.00 H new ATOM 2148 N GLN B 63 12.138 -0.265 -5.827 1.00 0.00 N ATOM 2149 CA GLN B 63 12.755 0.582 -6.833 1.00 0.00 C ATOM 2150 C GLN B 63 11.663 1.235 -7.683 1.00 0.00 C ATOM 2151 O GLN B 63 11.799 2.425 -8.005 1.00 0.00 O ATOM 2152 CB GLN B 63 13.733 -0.206 -7.709 1.00 0.00 C ATOM 2153 CG GLN B 63 15.164 -0.080 -7.182 1.00 0.00 C ATOM 2154 CD GLN B 63 15.382 -0.981 -5.965 1.00 0.00 C ATOM 2155 OE1 GLN B 63 15.917 -0.575 -4.947 1.00 0.00 O ATOM 2156 NE2 GLN B 63 14.939 -2.225 -6.127 1.00 0.00 N ATOM 0 H GLN B 63 12.220 -1.264 -6.014 1.00 0.00 H new ATOM 0 HA GLN B 63 13.333 1.358 -6.330 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.441 -1.256 -7.732 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.685 0.161 -8.734 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.870 -0.348 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.366 0.957 -6.912 1.00 0.00 H new ATOM 0 HE21 GLN B 63 14.500 -2.500 -7.006 1.00 0.00 H new ATOM 0 HE22 GLN B 63 15.038 -2.904 -5.372 1.00 0.00 H new ATOM 2165 N ILE B 64 10.619 0.459 -8.023 1.00 0.00 N ATOM 2166 CA ILE B 64 9.516 0.959 -8.827 1.00 0.00 C ATOM 2167 C ILE B 64 8.838 2.115 -8.090 1.00 0.00 C ATOM 2168 O ILE B 64 8.493 3.111 -8.744 1.00 0.00 O ATOM 2169 CB ILE B 64 8.563 -0.178 -9.195 1.00 0.00 C ATOM 2170 CG1 ILE B 64 8.874 -0.723 -10.592 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.104 0.265 -9.064 1.00 0.00 C ATOM 2172 CD1 ILE B 64 8.334 0.211 -11.677 1.00 0.00 C ATOM 0 H ILE B 64 10.526 -0.519 -7.747 1.00 0.00 H new ATOM 0 HA ILE B 64 9.883 1.355 -9.774 1.00 0.00 H new ATOM 0 HB ILE B 64 8.716 -0.994 -8.489 1.00 0.00 H new ATOM 0 HG12 ILE B 64 9.951 -0.839 -10.710 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.433 -1.713 -10.707 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.447 -0.563 -9.332 1.00 0.00 H new ATOM 0 HG22 ILE B 64 6.906 0.567 -8.036 1.00 0.00 H new ATOM 0 HG23 ILE B 64 6.918 1.106 -9.731 1.00 0.00 H new ATOM 0 HD11 ILE B 64 8.568 -0.199 -12.659 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.253 0.305 -11.571 1.00 0.00 H new ATOM 0 HD13 ILE B 64 8.795 1.193 -11.574 1.00 0.00 H new ATOM 2184 N VAL B 65 8.663 1.966 -6.764 1.00 0.00 N ATOM 2185 CA VAL B 65 8.032 2.991 -5.950 1.00 0.00 C ATOM 2186 C VAL B 65 8.946 4.215 -5.879 1.00 0.00 C ATOM 2187 O VAL B 65 8.457 5.331 -6.105 1.00 0.00 O ATOM 2188 CB VAL B 65 7.685 2.424 -4.572 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.569 3.541 -3.533 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.402 1.592 -4.628 1.00 0.00 C ATOM 0 H VAL B 65 8.955 1.139 -6.243 1.00 0.00 H new ATOM 0 HA VAL B 65 7.093 3.312 -6.401 1.00 0.00 H new ATOM 0 HB VAL B 65 8.498 1.765 -4.267 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.322 3.111 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.518 4.073 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.785 4.236 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.178 1.201 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.576 2.219 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL B 65 6.536 0.763 -5.323 1.00 0.00 H new ATOM 2200 N GLU B 66 10.237 3.987 -5.574 1.00 0.00 N ATOM 2201 CA GLU B 66 11.207 5.063 -5.476 1.00 0.00 C ATOM 2202 C GLU B 66 11.262 5.817 -6.806 1.00 0.00 C ATOM 2203 O GLU B 66 11.557 7.022 -6.790 1.00 0.00 O ATOM 2204 CB GLU B 66 12.590 4.539 -5.086 1.00 0.00 C ATOM 2205 CG GLU B 66 13.608 4.795 -6.199 1.00 0.00 C ATOM 2206 CD GLU B 66 14.995 4.289 -5.801 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.541 4.911 -4.812 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.512 3.344 -6.418 1.00 0.00 O ATOM 0 H GLU B 66 10.621 3.060 -5.393 1.00 0.00 H new ATOM 0 HA GLU B 66 10.892 5.746 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU B 66 12.921 5.024 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.533 3.470 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.285 4.298 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.655 5.862 -6.415 1.00 0.00 H new ATOM 2215 N LYS B 67 10.981 5.107 -7.914 1.00 0.00 N ATOM 2216 CA LYS B 67 10.999 5.706 -9.237 1.00 0.00 C ATOM 2217 C LYS B 67 9.843 6.701 -9.358 1.00 0.00 C ATOM 2218 O LYS B 67 10.057 7.790 -9.909 1.00 0.00 O ATOM 2219 CB LYS B 67 10.992 4.621 -10.316 1.00 0.00 C ATOM 2220 CG LYS B 67 10.784 5.229 -11.704 1.00 0.00 C ATOM 2221 CD LYS B 67 10.467 4.144 -12.736 1.00 0.00 C ATOM 2222 CE LYS B 67 11.006 4.526 -14.116 1.00 0.00 C ATOM 2223 NZ LYS B 67 10.287 5.696 -14.645 1.00 0.00 N ATOM 0 H LYS B 67 10.740 4.116 -7.906 1.00 0.00 H new ATOM 0 HA LYS B 67 11.921 6.268 -9.388 1.00 0.00 H new ATOM 0 HB2 LYS B 67 11.934 4.074 -10.292 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.200 3.901 -10.108 1.00 0.00 H new ATOM 0 HG2 LYS B 67 9.969 5.952 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS B 67 11.680 5.772 -12.005 1.00 0.00 H new ATOM 0 HD2 LYS B 67 10.905 3.197 -12.420 1.00 0.00 H new ATOM 0 HD3 LYS B 67 9.389 3.994 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS B 67 12.071 4.747 -14.048 1.00 0.00 H new ATOM 0 HE3 LYS B 67 10.897 3.685 -14.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 10.606 5.890 -15.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 9.265 5.503 -14.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 10.481 6.523 -14.045 1.00 0.00 H new ATOM 2237 N ILE B 68 8.660 6.313 -8.849 1.00 0.00 N ATOM 2238 CA ILE B 68 7.484 7.165 -8.900 1.00 0.00 C ATOM 2239 C ILE B 68 7.597 8.249 -7.826 1.00 0.00 C ATOM 2240 O ILE B 68 7.013 9.326 -8.011 1.00 0.00 O ATOM 2241 CB ILE B 68 6.209 6.326 -8.793 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.563 6.135 -10.167 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.235 6.932 -7.782 1.00 0.00 C ATOM 2244 CD1 ILE B 68 4.702 4.869 -10.197 1.00 0.00 C ATOM 0 H ILE B 68 8.505 5.411 -8.399 1.00 0.00 H new ATOM 0 HA ILE B 68 7.425 7.673 -9.862 1.00 0.00 H new ATOM 0 HB ILE B 68 6.481 5.337 -8.423 1.00 0.00 H new ATOM 0 HG12 ILE B 68 4.949 7.003 -10.408 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.338 6.071 -10.931 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.338 6.315 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.708 6.974 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE B 68 4.964 7.940 -8.097 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.254 4.757 -11.185 1.00 0.00 H new ATOM 0 HD12 ILE B 68 5.324 4.001 -9.980 1.00 0.00 H new ATOM 0 HD13 ILE B 68 3.914 4.947 -9.448 1.00 0.00 H new ATOM 2256 N LEU B 69 8.335 7.948 -6.741 1.00 0.00 N ATOM 2257 CA LEU B 69 8.522 8.889 -5.651 1.00 0.00 C ATOM 2258 C LEU B 69 9.486 9.991 -6.094 1.00 0.00 C ATOM 2259 O LEU B 69 9.268 11.151 -5.717 1.00 0.00 O ATOM 2260 CB LEU B 69 8.964 8.158 -4.381 1.00 0.00 C ATOM 2261 CG LEU B 69 7.891 7.324 -3.679 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.163 7.233 -2.177 1.00 0.00 C ATOM 2263 CD2 LEU B 69 6.492 7.868 -3.976 1.00 0.00 C ATOM 0 H LEU B 69 8.808 7.054 -6.608 1.00 0.00 H new ATOM 0 HA LEU B 69 7.578 9.373 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.797 7.503 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.343 8.896 -3.674 1.00 0.00 H new ATOM 0 HG LEU B 69 7.933 6.310 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.385 6.635 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.133 6.765 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.164 8.234 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU B 69 5.748 7.257 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.420 8.897 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.310 7.838 -5.050 1.00 0.00 H new ATOM 2275 N LYS B 70 10.516 9.613 -6.872 1.00 0.00 N ATOM 2276 CA LYS B 70 11.503 10.563 -7.358 1.00 0.00 C ATOM 2277 C LYS B 70 10.808 11.611 -8.229 1.00 0.00 C ATOM 2278 O LYS B 70 11.345 12.722 -8.354 1.00 0.00 O ATOM 2279 CB LYS B 70 12.645 9.833 -8.067 1.00 0.00 C ATOM 2280 CG LYS B 70 12.228 9.399 -9.474 1.00 0.00 C ATOM 2281 CD LYS B 70 13.147 10.014 -10.533 1.00 0.00 C ATOM 2282 CE LYS B 70 13.038 11.539 -10.534 1.00 0.00 C ATOM 2283 NZ LYS B 70 11.746 11.963 -11.098 1.00 0.00 N ATOM 0 H LYS B 70 10.677 8.651 -7.172 1.00 0.00 H new ATOM 0 HA LYS B 70 11.964 11.094 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.516 10.485 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.940 8.960 -7.485 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.259 8.312 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS B 70 11.198 9.702 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS B 70 14.179 9.720 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.884 9.626 -11.517 1.00 0.00 H new ATOM 0 HE2 LYS B 70 13.139 11.917 -9.517 1.00 0.00 H new ATOM 0 HE3 LYS B 70 13.854 11.967 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 11.464 12.870 -10.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 11.837 12.075 -12.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 11.024 11.244 -10.890 1.00 0.00 H new ATOM 2297 N GLU B 71 9.648 11.245 -8.803 1.00 0.00 N ATOM 2298 CA GLU B 71 8.890 12.148 -9.652 1.00 0.00 C ATOM 2299 C GLU B 71 8.060 13.088 -8.776 1.00 0.00 C ATOM 2300 O GLU B 71 7.657 14.152 -9.270 1.00 0.00 O ATOM 2301 CB GLU B 71 8.000 11.383 -10.633 1.00 0.00 C ATOM 2302 CG GLU B 71 8.466 9.933 -10.779 1.00 0.00 C ATOM 2303 CD GLU B 71 7.602 9.179 -11.793 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.403 9.468 -11.921 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.219 8.264 -12.462 1.00 0.00 O ATOM 0 H GLU B 71 9.224 10.325 -8.687 1.00 0.00 H new ATOM 0 HA GLU B 71 9.588 12.735 -10.249 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.967 11.404 -10.285 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.018 11.874 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.508 9.912 -11.097 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.418 9.433 -9.812 1.00 0.00 H new