USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 LYS NZ :NH3+ 170:sc= 0.118 (180deg=-1.71!) USER MOD Set 1.2: A 56 TYR OH : rot 166:sc= 1.06 USER MOD Set 2.1: A 49 ASN : amide:sc= -1.23! C(o=0.19!,f=-14!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -171:sc= 1.42 (180deg=1.1) USER MOD Set 3.1: A 30 GLN : amide:sc= 0.601 K(o=0.048,f=-8.7!) USER MOD Set 3.2: A 38 HIS : no HE2:sc= -0.553 K(o=0.048,f=-3.2) USER MOD Single : A 1 TYR N :NH3+ 147:sc= 0.49 (180deg=0.0941) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 9 MET CE :methyl -165:sc= 0 (180deg=-0.175) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 16 TYR OH : rot 110:sc=-0.00168 USER MOD Single : A 21 SER OG : rot 104:sc= 1.25 USER MOD Single : A 22 LYS NZ :NH3+ -139:sc= 1.29 (180deg=0.525) USER MOD Single : A 23 THR OG1 : rot 125:sc= 1.14 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 138:sc= 1.16 USER MOD Single : A 34 SER OG : rot -101:sc= 1.24 USER MOD Single : A 35 GLN : amide:sc= 0.5 K(o=0.5,f=-1.1) USER MOD Single : A 36 SER OG : rot 180:sc= -0.331 USER MOD Single : A 40 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-3!) USER MOD Single : A 42 TYR OH : rot -122:sc= 1.61 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.24) USER MOD Single : A 51 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.716 K(o=-0.72,f=-3.7!) USER MOD Single : A 59 ASN : amide:sc= -0.81 K(o=-0.81,f=-11!) USER MOD Single : A 70 THR OG1 : rot 103:sc= 0.336 USER MOD Single : A 71 THR OG1 : rot 160:sc= 0.0268 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= 1.22 (180deg=0.382!) USER MOD Single : A 79 TYR OH : rot 30:sc= 1.25 USER MOD Single : B 100 SER OG : rot 180:sc= 0.0518 USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : B 111 GLN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : B 114 LYS NZ :NH3+ -151:sc= 1.12 (180deg=0.766) USER MOD Single : B 115 ASN : amide:sc= -0.0761 K(o=-0.076,f=-1.5!) USER MOD Single : B 118 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-8.6!) USER MOD Single : B 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 128 SER OG : rot 73:sc= 1.22 USER MOD Single : B 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -12.983 12.660 -12.665 1.00 0.00 N ATOM 2 CA TYR A 1 -12.032 12.197 -11.672 1.00 0.00 C ATOM 3 C TYR A 1 -10.602 12.375 -12.156 1.00 0.00 C ATOM 4 O TYR A 1 -10.017 11.472 -12.754 1.00 0.00 O ATOM 5 CB TYR A 1 -12.296 10.728 -11.290 1.00 0.00 C ATOM 6 CG TYR A 1 -13.642 10.504 -10.646 1.00 0.00 C ATOM 7 CD1 TYR A 1 -13.794 10.593 -9.273 1.00 0.00 C ATOM 8 CD2 TYR A 1 -14.765 10.225 -11.412 1.00 0.00 C ATOM 9 CE1 TYR A 1 -15.024 10.413 -8.680 1.00 0.00 C ATOM 10 CE2 TYR A 1 -15.998 10.041 -10.826 1.00 0.00 C ATOM 11 CZ TYR A 1 -16.122 10.137 -9.460 1.00 0.00 C ATOM 12 OH TYR A 1 -17.361 9.974 -8.868 1.00 0.00 O ATOM 0 H1 TYR A 1 -13.843 12.078 -12.620 1.00 0.00 H new ATOM 0 H2 TYR A 1 -13.227 13.653 -12.476 1.00 0.00 H new ATOM 0 H3 TYR A 1 -12.561 12.582 -13.612 1.00 0.00 H new ATOM 0 HA TYR A 1 -12.167 12.808 -10.780 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -12.223 10.110 -12.185 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -11.515 10.393 -10.607 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -12.934 10.807 -8.656 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -14.671 10.151 -12.485 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -15.125 10.488 -7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -16.862 9.823 -11.436 1.00 0.00 H new ATOM 0 HH TYR A 1 -18.031 9.785 -9.558 1.00 0.00 H new ATOM 24 N VAL A 2 -10.075 13.562 -11.974 1.00 0.00 N ATOM 25 CA VAL A 2 -8.678 13.840 -12.271 1.00 0.00 C ATOM 26 C VAL A 2 -7.916 13.662 -10.967 1.00 0.00 C ATOM 27 O VAL A 2 -6.791 13.143 -10.929 1.00 0.00 O ATOM 28 CB VAL A 2 -8.459 15.293 -12.793 1.00 0.00 C ATOM 29 CG1 VAL A 2 -7.012 15.512 -13.223 1.00 0.00 C ATOM 30 CG2 VAL A 2 -9.409 15.623 -13.931 1.00 0.00 C ATOM 0 H VAL A 2 -10.595 14.364 -11.617 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.334 13.166 -13.056 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.676 15.970 -11.967 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.890 16.534 -13.582 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.351 15.345 -12.373 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.760 14.814 -14.022 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.229 16.643 -14.271 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.242 14.931 -14.756 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.438 15.532 -13.584 1.00 0.00 H new ATOM 40 N GLU A 3 -8.572 14.062 -9.900 1.00 0.00 N ATOM 41 CA GLU A 3 -8.074 13.927 -8.556 1.00 0.00 C ATOM 42 C GLU A 3 -9.087 13.078 -7.805 1.00 0.00 C ATOM 43 O GLU A 3 -10.084 12.632 -8.394 1.00 0.00 O ATOM 44 CB GLU A 3 -8.010 15.292 -7.816 1.00 0.00 C ATOM 45 CG GLU A 3 -7.300 16.451 -8.511 1.00 0.00 C ATOM 46 CD GLU A 3 -8.093 17.060 -9.650 1.00 0.00 C ATOM 47 OE1 GLU A 3 -9.351 17.064 -9.598 1.00 0.00 O ATOM 48 OE2 GLU A 3 -7.481 17.542 -10.604 1.00 0.00 O ATOM 0 H GLU A 3 -9.491 14.502 -9.949 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.072 13.500 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.032 15.605 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.521 15.129 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.084 17.226 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.342 16.100 -8.895 1.00 0.00 H new ATOM 55 N PHE A 4 -8.850 12.851 -6.541 1.00 0.00 N ATOM 56 CA PHE A 4 -9.844 12.240 -5.705 1.00 0.00 C ATOM 57 C PHE A 4 -10.780 13.334 -5.248 1.00 0.00 C ATOM 58 O PHE A 4 -11.944 13.382 -5.629 1.00 0.00 O ATOM 59 CB PHE A 4 -9.199 11.499 -4.503 1.00 0.00 C ATOM 60 CG PHE A 4 -10.157 11.173 -3.372 1.00 0.00 C ATOM 61 CD1 PHE A 4 -11.336 10.486 -3.603 1.00 0.00 C ATOM 62 CD2 PHE A 4 -9.867 11.571 -2.078 1.00 0.00 C ATOM 63 CE1 PHE A 4 -12.206 10.205 -2.572 1.00 0.00 C ATOM 64 CE2 PHE A 4 -10.732 11.293 -1.045 1.00 0.00 C ATOM 65 CZ PHE A 4 -11.904 10.610 -1.292 1.00 0.00 C ATOM 0 H PHE A 4 -7.976 13.081 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.394 11.482 -6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.753 10.572 -4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.388 12.111 -4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.578 10.166 -4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.951 12.106 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.122 9.668 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.493 11.610 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 4 -12.584 10.393 -0.482 1.00 0.00 H new ATOM 75 N SER A 5 -10.261 14.199 -4.447 1.00 0.00 N ATOM 76 CA SER A 5 -10.940 15.301 -3.951 1.00 0.00 C ATOM 77 C SER A 5 -9.919 16.391 -3.684 1.00 0.00 C ATOM 78 O SER A 5 -9.174 16.324 -2.705 1.00 0.00 O ATOM 79 CB SER A 5 -11.666 14.899 -2.686 1.00 0.00 C ATOM 80 OG SER A 5 -12.680 13.929 -2.961 1.00 0.00 O ATOM 0 H SER A 5 -9.299 14.135 -4.115 1.00 0.00 H new ATOM 0 HA SER A 5 -11.680 15.672 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.954 14.492 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.115 15.779 -2.226 1.00 0.00 H new ATOM 0 HG SER A 5 -13.133 13.684 -2.127 1.00 0.00 H new ATOM 86 N GLU A 6 -9.816 17.305 -4.626 1.00 0.00 N ATOM 87 CA GLU A 6 -8.919 18.446 -4.579 1.00 0.00 C ATOM 88 C GLU A 6 -7.458 18.077 -4.836 1.00 0.00 C ATOM 89 O GLU A 6 -7.105 16.891 -5.000 1.00 0.00 O ATOM 90 CB GLU A 6 -9.147 19.294 -3.332 1.00 0.00 C ATOM 91 CG GLU A 6 -10.531 19.913 -3.340 1.00 0.00 C ATOM 92 CD GLU A 6 -10.866 20.663 -2.098 1.00 0.00 C ATOM 93 OE1 GLU A 6 -10.579 21.860 -2.026 1.00 0.00 O ATOM 94 OE2 GLU A 6 -11.472 20.076 -1.183 1.00 0.00 O ATOM 0 H GLU A 6 -10.375 17.274 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.176 19.089 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.026 18.677 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.394 20.080 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.611 20.588 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.270 19.125 -3.487 1.00 0.00 H new ATOM 101 N GLU A 7 -6.617 19.076 -4.869 1.00 0.00 N ATOM 102 CA GLU A 7 -5.235 18.944 -5.309 1.00 0.00 C ATOM 103 C GLU A 7 -4.294 18.518 -4.183 1.00 0.00 C ATOM 104 O GLU A 7 -3.190 19.045 -4.048 1.00 0.00 O ATOM 105 CB GLU A 7 -4.807 20.274 -5.889 1.00 0.00 C ATOM 106 CG GLU A 7 -5.705 20.727 -7.019 1.00 0.00 C ATOM 107 CD GLU A 7 -5.430 22.128 -7.445 1.00 0.00 C ATOM 108 OE1 GLU A 7 -4.491 22.351 -8.229 1.00 0.00 O ATOM 109 OE2 GLU A 7 -6.149 23.047 -7.003 1.00 0.00 O ATOM 0 H GLU A 7 -6.867 20.024 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.178 18.154 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.810 21.028 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.782 20.196 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.574 20.060 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.746 20.644 -6.706 1.00 0.00 H new ATOM 116 N CYS A 8 -4.713 17.551 -3.417 1.00 0.00 N ATOM 117 CA CYS A 8 -3.924 17.014 -2.337 1.00 0.00 C ATOM 118 C CYS A 8 -4.550 15.740 -1.845 1.00 0.00 C ATOM 119 O CYS A 8 -5.582 15.311 -2.382 1.00 0.00 O ATOM 120 CB CYS A 8 -3.802 18.021 -1.201 1.00 0.00 C ATOM 121 SG CYS A 8 -5.390 18.681 -0.547 1.00 0.00 S ATOM 0 H CYS A 8 -5.624 17.105 -3.524 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.920 16.803 -2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.259 17.552 -0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.196 18.859 -1.546 1.00 0.00 H new ATOM 126 N MET A 9 -3.943 15.101 -0.872 1.00 0.00 N ATOM 127 CA MET A 9 -4.524 13.919 -0.304 1.00 0.00 C ATOM 128 C MET A 9 -5.322 14.241 0.926 1.00 0.00 C ATOM 129 O MET A 9 -5.112 15.265 1.579 1.00 0.00 O ATOM 130 CB MET A 9 -3.489 12.860 0.025 1.00 0.00 C ATOM 131 CG MET A 9 -2.444 13.244 1.061 1.00 0.00 C ATOM 132 SD MET A 9 -1.275 11.905 1.362 1.00 0.00 S ATOM 133 CE MET A 9 -0.258 12.622 2.654 1.00 0.00 C ATOM 0 H MET A 9 -3.052 15.382 -0.463 1.00 0.00 H new ATOM 0 HA MET A 9 -5.187 13.513 -1.068 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.010 11.969 0.377 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.974 12.586 -0.896 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.904 14.128 0.722 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.939 13.511 1.995 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.657 12.040 2.761 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.006 13.649 2.391 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.806 12.613 3.596 1.00 0.00 H new ATOM 143 N HIS A 10 -6.208 13.352 1.235 1.00 0.00 N ATOM 144 CA HIS A 10 -7.113 13.507 2.347 1.00 0.00 C ATOM 145 C HIS A 10 -6.520 12.803 3.559 1.00 0.00 C ATOM 146 O HIS A 10 -6.465 11.568 3.594 1.00 0.00 O ATOM 147 CB HIS A 10 -8.490 12.907 1.972 1.00 0.00 C ATOM 148 CG HIS A 10 -9.637 13.286 2.880 1.00 0.00 C ATOM 149 ND1 HIS A 10 -10.474 14.346 2.618 1.00 0.00 N ATOM 150 CD2 HIS A 10 -10.113 12.715 4.011 1.00 0.00 C ATOM 151 CE1 HIS A 10 -11.409 14.407 3.545 1.00 0.00 C ATOM 152 NE2 HIS A 10 -11.211 13.429 4.402 1.00 0.00 N ATOM 0 H HIS A 10 -6.333 12.481 0.719 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.254 14.561 2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.737 13.217 0.956 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -8.402 11.821 1.962 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -9.700 11.852 4.513 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.204 15.137 3.593 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -11.783 13.235 5.224 1.00 0.00 H new ATOM 161 N GLY A 11 -6.026 13.588 4.496 1.00 0.00 N ATOM 162 CA GLY A 11 -5.446 13.062 5.714 1.00 0.00 C ATOM 163 C GLY A 11 -4.118 12.388 5.476 1.00 0.00 C ATOM 164 O GLY A 11 -3.225 12.965 4.842 1.00 0.00 O ATOM 0 H GLY A 11 -6.016 14.606 4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.315 13.873 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.137 12.348 6.163 1.00 0.00 H new ATOM 168 N SER A 12 -3.999 11.164 5.960 1.00 0.00 N ATOM 169 CA SER A 12 -2.791 10.373 5.810 1.00 0.00 C ATOM 170 C SER A 12 -2.801 9.625 4.469 1.00 0.00 C ATOM 171 O SER A 12 -1.827 8.962 4.100 1.00 0.00 O ATOM 172 CB SER A 12 -2.702 9.370 6.961 1.00 0.00 C ATOM 173 OG SER A 12 -2.857 10.031 8.216 1.00 0.00 O ATOM 0 H SER A 12 -4.743 10.688 6.471 1.00 0.00 H new ATOM 0 HA SER A 12 -1.926 11.036 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.473 8.608 6.847 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.741 8.857 6.930 1.00 0.00 H new ATOM 0 HG SER A 12 -2.799 9.374 8.941 1.00 0.00 H new ATOM 179 N GLY A 13 -3.922 9.696 3.770 1.00 0.00 N ATOM 180 CA GLY A 13 -4.025 9.069 2.480 1.00 0.00 C ATOM 181 C GLY A 13 -4.721 7.728 2.536 1.00 0.00 C ATOM 182 O GLY A 13 -4.795 7.015 1.540 1.00 0.00 O ATOM 0 H GLY A 13 -4.764 10.181 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.569 9.728 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.026 8.938 2.064 1.00 0.00 H new ATOM 186 N GLU A 14 -5.246 7.399 3.697 1.00 0.00 N ATOM 187 CA GLU A 14 -5.999 6.157 3.908 1.00 0.00 C ATOM 188 C GLU A 14 -7.344 6.296 3.200 1.00 0.00 C ATOM 189 O GLU A 14 -7.956 5.334 2.735 1.00 0.00 O ATOM 190 CB GLU A 14 -6.275 5.989 5.400 1.00 0.00 C ATOM 191 CG GLU A 14 -6.905 4.664 5.796 1.00 0.00 C ATOM 192 CD GLU A 14 -7.552 4.719 7.163 1.00 0.00 C ATOM 193 OE1 GLU A 14 -7.036 5.423 8.055 1.00 0.00 O ATOM 194 OE2 GLU A 14 -8.623 4.092 7.365 1.00 0.00 O ATOM 0 H GLU A 14 -5.168 7.980 4.532 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.434 5.306 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.336 6.103 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.931 6.797 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.653 4.384 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.142 3.885 5.789 1.00 0.00 H new ATOM 201 N ASN A 15 -7.787 7.523 3.142 1.00 0.00 N ATOM 202 CA ASN A 15 -9.067 7.885 2.573 1.00 0.00 C ATOM 203 C ASN A 15 -8.917 8.204 1.074 1.00 0.00 C ATOM 204 O ASN A 15 -9.897 8.389 0.356 1.00 0.00 O ATOM 205 CB ASN A 15 -9.587 9.102 3.349 1.00 0.00 C ATOM 206 CG ASN A 15 -10.990 9.524 2.991 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.192 10.340 2.105 1.00 0.00 O ATOM 208 ND2 ASN A 15 -11.951 9.024 3.714 1.00 0.00 N ATOM 0 H ASN A 15 -7.259 8.321 3.496 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.774 7.060 2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.550 8.879 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.914 9.942 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.916 9.312 3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.739 8.344 4.445 1.00 0.00 H new ATOM 215 N TYR A 16 -7.680 8.203 0.605 1.00 0.00 N ATOM 216 CA TYR A 16 -7.361 8.564 -0.771 1.00 0.00 C ATOM 217 C TYR A 16 -7.922 7.549 -1.763 1.00 0.00 C ATOM 218 O TYR A 16 -7.618 6.365 -1.696 1.00 0.00 O ATOM 219 CB TYR A 16 -5.835 8.716 -0.945 1.00 0.00 C ATOM 220 CG TYR A 16 -5.368 9.001 -2.364 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.474 10.272 -2.909 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.808 7.992 -3.149 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.042 10.535 -4.193 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.370 8.240 -4.435 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.491 9.524 -4.953 1.00 0.00 C ATOM 226 OH TYR A 16 -4.067 9.795 -6.233 1.00 0.00 O ATOM 0 H TYR A 16 -6.866 7.952 1.166 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.835 9.522 -0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.491 9.523 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.353 7.802 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.902 11.069 -2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.715 6.996 -2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.135 11.530 -4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.940 7.448 -5.030 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.088 9.761 -6.268 1.00 0.00 H new ATOM 236 N ASP A 17 -8.737 8.026 -2.669 1.00 0.00 N ATOM 237 CA ASP A 17 -9.307 7.195 -3.708 1.00 0.00 C ATOM 238 C ASP A 17 -9.012 7.838 -5.045 1.00 0.00 C ATOM 239 O ASP A 17 -9.863 8.484 -5.655 1.00 0.00 O ATOM 240 CB ASP A 17 -10.815 6.992 -3.490 1.00 0.00 C ATOM 241 CG ASP A 17 -11.456 6.032 -4.470 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.103 4.838 -4.466 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.380 6.428 -5.186 1.00 0.00 O ATOM 0 H ASP A 17 -9.027 9.003 -2.710 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.858 6.202 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.979 6.624 -2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.315 7.958 -3.563 1.00 0.00 H new ATOM 248 N GLY A 18 -7.751 7.785 -5.402 1.00 0.00 N ATOM 249 CA GLY A 18 -7.283 8.387 -6.625 1.00 0.00 C ATOM 250 C GLY A 18 -6.888 7.357 -7.651 1.00 0.00 C ATOM 251 O GLY A 18 -6.479 6.245 -7.286 1.00 0.00 O ATOM 0 H GLY A 18 -7.024 7.325 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.065 9.026 -7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.429 9.028 -6.409 1.00 0.00 H new ATOM 255 N LYS A 19 -6.927 7.752 -8.906 1.00 0.00 N ATOM 256 CA LYS A 19 -6.688 6.877 -10.064 1.00 0.00 C ATOM 257 C LYS A 19 -5.187 6.677 -10.364 1.00 0.00 C ATOM 258 O LYS A 19 -4.819 6.290 -11.478 1.00 0.00 O ATOM 259 CB LYS A 19 -7.359 7.505 -11.298 1.00 0.00 C ATOM 260 CG LYS A 19 -8.864 7.720 -11.171 1.00 0.00 C ATOM 261 CD LYS A 19 -9.690 6.438 -11.303 1.00 0.00 C ATOM 262 CE LYS A 19 -9.939 6.025 -12.767 1.00 0.00 C ATOM 263 NZ LYS A 19 -8.739 5.570 -13.497 1.00 0.00 N ATOM 0 H LYS A 19 -7.131 8.716 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.107 5.898 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.885 8.465 -11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.169 6.867 -12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.075 8.178 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.185 8.427 -11.936 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.176 5.628 -10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.649 6.578 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.681 5.226 -12.783 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.371 6.872 -13.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.023 5.156 -14.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.108 6.379 -13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.240 4.854 -12.932 1.00 0.00 H new ATOM 277 N ILE A 20 -4.334 6.907 -9.404 1.00 0.00 N ATOM 278 CA ILE A 20 -2.915 6.735 -9.627 1.00 0.00 C ATOM 279 C ILE A 20 -2.541 5.280 -9.340 1.00 0.00 C ATOM 280 O ILE A 20 -3.031 4.695 -8.371 1.00 0.00 O ATOM 281 CB ILE A 20 -2.072 7.711 -8.757 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.603 7.700 -9.191 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.207 7.382 -7.281 1.00 0.00 C ATOM 284 CD1 ILE A 20 0.258 8.730 -8.486 1.00 0.00 C ATOM 0 H ILE A 20 -4.589 7.212 -8.465 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.691 6.972 -10.667 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.460 8.718 -8.910 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.188 6.709 -9.008 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.551 7.873 -10.266 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.607 8.080 -6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.252 7.465 -6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.858 6.365 -7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.283 8.657 -8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.129 9.728 -8.690 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.240 8.546 -7.412 1.00 0.00 H new ATOM 296 N SER A 21 -1.733 4.694 -10.187 1.00 0.00 N ATOM 297 CA SER A 21 -1.361 3.309 -10.022 1.00 0.00 C ATOM 298 C SER A 21 0.148 3.134 -10.129 1.00 0.00 C ATOM 299 O SER A 21 0.652 2.021 -10.191 1.00 0.00 O ATOM 300 CB SER A 21 -2.051 2.495 -11.103 1.00 0.00 C ATOM 301 OG SER A 21 -1.644 2.922 -12.406 1.00 0.00 O ATOM 0 H SER A 21 -1.319 5.153 -10.998 1.00 0.00 H new ATOM 0 HA SER A 21 -1.669 2.969 -9.033 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.816 1.439 -10.973 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.132 2.596 -11.005 1.00 0.00 H new ATOM 0 HG SER A 21 -1.015 2.271 -12.782 1.00 0.00 H new ATOM 307 N LYS A 22 0.860 4.227 -10.136 1.00 0.00 N ATOM 308 CA LYS A 22 2.281 4.180 -10.314 1.00 0.00 C ATOM 309 C LYS A 22 2.958 4.689 -9.072 1.00 0.00 C ATOM 310 O LYS A 22 2.468 5.625 -8.447 1.00 0.00 O ATOM 311 CB LYS A 22 2.697 4.955 -11.568 1.00 0.00 C ATOM 312 CG LYS A 22 2.095 4.379 -12.850 1.00 0.00 C ATOM 313 CD LYS A 22 2.511 5.168 -14.073 1.00 0.00 C ATOM 314 CE LYS A 22 1.856 4.631 -15.351 1.00 0.00 C ATOM 315 NZ LYS A 22 2.271 3.245 -15.687 1.00 0.00 N ATOM 0 H LYS A 22 0.475 5.164 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 22 2.598 3.149 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.390 5.996 -11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.784 4.950 -11.649 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.408 3.341 -12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.008 4.377 -12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.240 6.215 -13.939 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.595 5.130 -14.178 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.773 4.660 -15.235 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.106 5.289 -16.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.424 3.167 -16.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.154 3.016 -15.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.526 2.580 -15.397 1.00 0.00 H new ATOM 329 N THR A 23 4.083 4.099 -8.727 1.00 0.00 N ATOM 330 CA THR A 23 4.735 4.372 -7.470 1.00 0.00 C ATOM 331 C THR A 23 5.559 5.660 -7.571 1.00 0.00 C ATOM 332 O THR A 23 5.493 6.358 -8.589 1.00 0.00 O ATOM 333 CB THR A 23 5.621 3.167 -7.098 1.00 0.00 C ATOM 334 OG1 THR A 23 6.581 2.952 -8.142 1.00 0.00 O ATOM 335 CG2 THR A 23 4.770 1.909 -6.930 1.00 0.00 C ATOM 0 H THR A 23 4.568 3.418 -9.311 1.00 0.00 H new ATOM 0 HA THR A 23 3.992 4.519 -6.686 1.00 0.00 H new ATOM 0 HB THR A 23 6.128 3.377 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.484 2.951 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.412 1.068 -6.667 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.038 2.068 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.252 1.692 -7.864 1.00 0.00 H new ATOM 343 N MET A 24 6.328 5.991 -6.549 1.00 0.00 N ATOM 344 CA MET A 24 7.133 7.193 -6.573 1.00 0.00 C ATOM 345 C MET A 24 8.256 7.120 -7.617 1.00 0.00 C ATOM 346 O MET A 24 8.772 8.152 -8.061 1.00 0.00 O ATOM 347 CB MET A 24 7.646 7.561 -5.174 1.00 0.00 C ATOM 348 CG MET A 24 8.452 6.513 -4.467 1.00 0.00 C ATOM 349 SD MET A 24 9.005 7.061 -2.839 1.00 0.00 S ATOM 350 CE MET A 24 9.991 5.659 -2.327 1.00 0.00 C ATOM 0 H MET A 24 6.410 5.442 -5.693 1.00 0.00 H new ATOM 0 HA MET A 24 6.483 8.008 -6.890 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.254 8.462 -5.258 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.788 7.812 -4.550 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.854 5.608 -4.360 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.319 6.252 -5.075 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.403 5.847 -1.336 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.366 4.766 -2.297 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.805 5.509 -3.036 1.00 0.00 H new ATOM 360 N SER A 25 8.629 5.908 -8.003 1.00 0.00 N ATOM 361 CA SER A 25 9.555 5.706 -9.075 1.00 0.00 C ATOM 362 C SER A 25 8.806 5.552 -10.400 1.00 0.00 C ATOM 363 O SER A 25 9.409 5.486 -11.467 1.00 0.00 O ATOM 364 CB SER A 25 10.383 4.485 -8.812 1.00 0.00 C ATOM 365 OG SER A 25 11.040 4.580 -7.556 1.00 0.00 O ATOM 0 H SER A 25 8.291 5.047 -7.574 1.00 0.00 H new ATOM 0 HA SER A 25 10.210 6.575 -9.141 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.748 3.599 -8.829 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.121 4.363 -9.605 1.00 0.00 H new ATOM 0 HG SER A 25 10.988 3.718 -7.093 1.00 0.00 H new ATOM 371 N GLY A 26 7.488 5.490 -10.315 1.00 0.00 N ATOM 372 CA GLY A 26 6.666 5.368 -11.488 1.00 0.00 C ATOM 373 C GLY A 26 6.511 3.949 -11.953 1.00 0.00 C ATOM 374 O GLY A 26 6.273 3.698 -13.139 1.00 0.00 O ATOM 0 H GLY A 26 6.970 5.523 -9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.681 5.785 -11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.100 5.962 -12.292 1.00 0.00 H new ATOM 378 N LEU A 27 6.685 3.018 -11.056 1.00 0.00 N ATOM 379 CA LEU A 27 6.488 1.631 -11.372 1.00 0.00 C ATOM 380 C LEU A 27 5.025 1.342 -11.317 1.00 0.00 C ATOM 381 O LEU A 27 4.285 2.081 -10.698 1.00 0.00 O ATOM 382 CB LEU A 27 7.219 0.752 -10.388 1.00 0.00 C ATOM 383 CG LEU A 27 8.750 0.805 -10.434 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.347 0.041 -9.271 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.245 0.206 -11.732 1.00 0.00 C ATOM 0 H LEU A 27 6.965 3.198 -10.092 1.00 0.00 H new ATOM 0 HA LEU A 27 6.881 1.424 -12.367 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.898 1.024 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.908 -0.279 -10.554 1.00 0.00 H new ATOM 0 HG LEU A 27 9.059 1.848 -10.367 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.435 0.091 -9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.007 0.482 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.029 -1.001 -9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.334 0.246 -11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.918 -0.832 -11.802 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.840 0.771 -12.571 1.00 0.00 H new ATOM 397 N GLU A 28 4.616 0.295 -11.933 1.00 0.00 N ATOM 398 CA GLU A 28 3.220 -0.033 -11.976 1.00 0.00 C ATOM 399 C GLU A 28 2.880 -0.832 -10.740 1.00 0.00 C ATOM 400 O GLU A 28 3.681 -1.671 -10.278 1.00 0.00 O ATOM 401 CB GLU A 28 2.882 -0.824 -13.237 1.00 0.00 C ATOM 402 CG GLU A 28 1.388 -0.911 -13.532 1.00 0.00 C ATOM 403 CD GLU A 28 0.788 0.443 -13.878 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.045 0.950 -14.997 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.035 1.002 -13.083 1.00 0.00 O ATOM 0 H GLU A 28 5.225 -0.361 -12.421 1.00 0.00 H new ATOM 0 HA GLU A 28 2.630 0.883 -12.001 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.384 -0.364 -14.088 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.282 -1.833 -13.139 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.223 -1.601 -14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.872 -1.324 -12.665 1.00 0.00 H new ATOM 412 N CYS A 29 1.756 -0.549 -10.180 1.00 0.00 N ATOM 413 CA CYS A 29 1.334 -1.219 -9.003 1.00 0.00 C ATOM 414 C CYS A 29 0.652 -2.538 -9.283 1.00 0.00 C ATOM 415 O CYS A 29 -0.012 -2.730 -10.323 1.00 0.00 O ATOM 416 CB CYS A 29 0.468 -0.316 -8.130 1.00 0.00 C ATOM 417 SG CYS A 29 -0.276 -1.119 -6.666 1.00 0.00 S ATOM 0 H CYS A 29 1.104 0.154 -10.526 1.00 0.00 H new ATOM 0 HA CYS A 29 2.240 -1.459 -8.447 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.074 0.525 -7.793 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.333 0.095 -8.744 1.00 0.00 H new ATOM 422 N GLN A 30 0.857 -3.439 -8.365 1.00 0.00 N ATOM 423 CA GLN A 30 0.236 -4.730 -8.345 1.00 0.00 C ATOM 424 C GLN A 30 -1.105 -4.575 -7.669 1.00 0.00 C ATOM 425 O GLN A 30 -1.179 -4.058 -6.557 1.00 0.00 O ATOM 426 CB GLN A 30 1.100 -5.735 -7.563 1.00 0.00 C ATOM 427 CG GLN A 30 0.402 -7.066 -7.268 1.00 0.00 C ATOM 428 CD GLN A 30 1.230 -8.004 -6.417 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.458 -8.020 -6.484 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.565 -8.785 -5.590 1.00 0.00 N ATOM 0 H GLN A 30 1.488 -3.286 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 30 0.121 -5.108 -9.361 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.010 -5.932 -8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.404 -5.280 -6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.543 -6.868 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.162 -7.559 -8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.454 -8.746 -5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.069 -9.428 -4.980 1.00 0.00 H new ATOM 439 N ALA A 31 -2.143 -5.031 -8.330 1.00 0.00 N ATOM 440 CA ALA A 31 -3.489 -4.921 -7.833 1.00 0.00 C ATOM 441 C ALA A 31 -3.626 -5.566 -6.467 1.00 0.00 C ATOM 442 O ALA A 31 -3.094 -6.656 -6.216 1.00 0.00 O ATOM 443 CB ALA A 31 -4.458 -5.566 -8.819 1.00 0.00 C ATOM 0 H ALA A 31 -2.073 -5.493 -9.237 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.729 -3.863 -7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.476 -5.480 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.387 -5.061 -9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.204 -6.619 -8.942 1.00 0.00 H new ATOM 449 N TRP A 32 -4.337 -4.887 -5.589 1.00 0.00 N ATOM 450 CA TRP A 32 -4.553 -5.329 -4.228 1.00 0.00 C ATOM 451 C TRP A 32 -5.339 -6.628 -4.208 1.00 0.00 C ATOM 452 O TRP A 32 -5.240 -7.425 -3.277 1.00 0.00 O ATOM 453 CB TRP A 32 -5.317 -4.283 -3.453 1.00 0.00 C ATOM 454 CG TRP A 32 -4.693 -2.920 -3.428 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.128 -1.827 -4.106 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.533 -2.493 -2.688 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.344 -0.756 -3.820 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.350 -1.130 -2.970 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.633 -3.122 -1.818 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.318 -0.379 -2.415 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.604 -2.368 -1.272 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.456 -1.014 -1.573 1.00 0.00 C ATOM 0 H TRP A 32 -4.788 -3.998 -5.806 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.578 -5.488 -3.767 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.317 -4.199 -3.878 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.435 -4.629 -2.426 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.975 -1.812 -4.776 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.480 0.186 -4.187 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.738 -4.170 -1.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.205 0.670 -2.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.903 -2.840 -0.600 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.643 -0.459 -1.130 1.00 0.00 H new ATOM 473 N ASP A 33 -6.104 -6.835 -5.243 1.00 0.00 N ATOM 474 CA ASP A 33 -6.886 -8.048 -5.399 1.00 0.00 C ATOM 475 C ASP A 33 -5.973 -9.203 -5.800 1.00 0.00 C ATOM 476 O ASP A 33 -6.254 -10.358 -5.529 1.00 0.00 O ATOM 477 CB ASP A 33 -7.948 -7.842 -6.478 1.00 0.00 C ATOM 478 CG ASP A 33 -8.913 -9.006 -6.599 1.00 0.00 C ATOM 479 OD1 ASP A 33 -8.652 -9.960 -7.380 1.00 0.00 O ATOM 480 OD2 ASP A 33 -9.971 -8.977 -5.923 1.00 0.00 O ATOM 0 H ASP A 33 -6.209 -6.170 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.372 -8.283 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.510 -6.935 -6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.456 -7.686 -7.438 1.00 0.00 H new ATOM 485 N SER A 34 -4.847 -8.869 -6.381 1.00 0.00 N ATOM 486 CA SER A 34 -3.957 -9.852 -6.903 1.00 0.00 C ATOM 487 C SER A 34 -2.984 -10.327 -5.821 1.00 0.00 C ATOM 488 O SER A 34 -2.228 -9.539 -5.234 1.00 0.00 O ATOM 489 CB SER A 34 -3.208 -9.290 -8.114 1.00 0.00 C ATOM 490 OG SER A 34 -2.558 -10.318 -8.846 1.00 0.00 O ATOM 0 H SER A 34 -4.530 -7.907 -6.501 1.00 0.00 H new ATOM 0 HA SER A 34 -4.536 -10.716 -7.229 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.908 -8.765 -8.765 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.472 -8.558 -7.781 1.00 0.00 H new ATOM 0 HG SER A 34 -1.605 -10.329 -8.618 1.00 0.00 H new ATOM 496 N GLN A 35 -2.999 -11.609 -5.595 1.00 0.00 N ATOM 497 CA GLN A 35 -2.180 -12.284 -4.601 1.00 0.00 C ATOM 498 C GLN A 35 -0.915 -12.831 -5.307 1.00 0.00 C ATOM 499 O GLN A 35 -0.235 -13.730 -4.825 1.00 0.00 O ATOM 500 CB GLN A 35 -3.058 -13.409 -4.018 1.00 0.00 C ATOM 501 CG GLN A 35 -2.511 -14.274 -2.908 1.00 0.00 C ATOM 502 CD GLN A 35 -2.462 -13.552 -1.605 1.00 0.00 C ATOM 503 OE1 GLN A 35 -3.439 -13.532 -0.872 1.00 0.00 O ATOM 504 NE2 GLN A 35 -1.336 -13.023 -1.263 1.00 0.00 N ATOM 0 H GLN A 35 -3.602 -12.248 -6.113 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.846 -11.630 -3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.978 -12.951 -3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.335 -14.068 -4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.130 -15.165 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.509 -14.611 -3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.541 -13.059 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.241 -12.569 -0.355 1.00 0.00 H new ATOM 513 N SER A 36 -0.593 -12.223 -6.422 1.00 0.00 N ATOM 514 CA SER A 36 0.511 -12.599 -7.242 1.00 0.00 C ATOM 515 C SER A 36 0.976 -11.336 -7.957 1.00 0.00 C ATOM 516 O SER A 36 0.147 -10.487 -8.312 1.00 0.00 O ATOM 517 CB SER A 36 0.071 -13.675 -8.256 1.00 0.00 C ATOM 518 OG SER A 36 1.154 -14.143 -9.043 1.00 0.00 O ATOM 0 H SER A 36 -1.116 -11.427 -6.788 1.00 0.00 H new ATOM 0 HA SER A 36 1.322 -13.023 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.377 -14.513 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.699 -13.264 -8.908 1.00 0.00 H new ATOM 0 HG SER A 36 0.832 -14.824 -9.670 1.00 0.00 H new ATOM 524 N PRO A 37 2.292 -11.158 -8.131 1.00 0.00 N ATOM 525 CA PRO A 37 3.297 -12.153 -7.692 1.00 0.00 C ATOM 526 C PRO A 37 3.626 -11.992 -6.211 1.00 0.00 C ATOM 527 O PRO A 37 3.874 -12.967 -5.500 1.00 0.00 O ATOM 528 CB PRO A 37 4.528 -11.773 -8.526 1.00 0.00 C ATOM 529 CG PRO A 37 4.338 -10.323 -8.761 1.00 0.00 C ATOM 530 CD PRO A 37 2.889 -10.182 -9.061 1.00 0.00 C ATOM 0 HA PRO A 37 2.957 -13.180 -7.823 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.456 -11.977 -7.992 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.570 -12.331 -9.461 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.621 -9.738 -7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.951 -9.972 -9.591 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.530 -9.169 -8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.662 -10.417 -10.101 1.00 0.00 H new ATOM 538 N HIS A 38 3.577 -10.759 -5.754 1.00 0.00 N ATOM 539 CA HIS A 38 3.980 -10.422 -4.415 1.00 0.00 C ATOM 540 C HIS A 38 2.933 -10.773 -3.401 1.00 0.00 C ATOM 541 O HIS A 38 1.738 -10.460 -3.569 1.00 0.00 O ATOM 542 CB HIS A 38 4.393 -8.964 -4.309 1.00 0.00 C ATOM 543 CG HIS A 38 5.586 -8.635 -5.139 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.513 -7.898 -6.293 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.887 -8.979 -4.996 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.705 -7.813 -6.828 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.563 -8.458 -6.063 1.00 0.00 N ATOM 0 H HIS A 38 3.255 -9.964 -6.306 1.00 0.00 H new ATOM 0 HA HIS A 38 4.855 -11.030 -4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.559 -8.333 -4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.606 -8.727 -3.267 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.664 -7.482 -6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.312 -9.557 -4.189 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.946 -7.298 -7.746 1.00 0.00 H new ATOM 556 N ALA A 39 3.389 -11.395 -2.355 1.00 0.00 N ATOM 557 CA ALA A 39 2.563 -11.890 -1.297 1.00 0.00 C ATOM 558 C ALA A 39 2.075 -10.767 -0.410 1.00 0.00 C ATOM 559 O ALA A 39 2.872 -9.937 0.077 1.00 0.00 O ATOM 560 CB ALA A 39 3.350 -12.897 -0.472 1.00 0.00 C ATOM 0 H ALA A 39 4.382 -11.578 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 39 1.690 -12.372 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.723 -13.276 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.661 -13.725 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.231 -12.413 -0.050 1.00 0.00 H new ATOM 566 N HIS A 40 0.779 -10.690 -0.230 1.00 0.00 N ATOM 567 CA HIS A 40 0.227 -9.746 0.703 1.00 0.00 C ATOM 568 C HIS A 40 -0.994 -10.317 1.326 1.00 0.00 C ATOM 569 O HIS A 40 -1.565 -11.233 0.786 1.00 0.00 O ATOM 570 CB HIS A 40 -0.100 -8.381 0.056 1.00 0.00 C ATOM 571 CG HIS A 40 -1.159 -8.350 -1.038 1.00 0.00 C ATOM 572 ND1 HIS A 40 -1.024 -7.587 -2.155 1.00 0.00 N ATOM 573 CD2 HIS A 40 -2.417 -8.880 -1.112 1.00 0.00 C ATOM 574 CE1 HIS A 40 -2.124 -7.642 -2.843 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.977 -8.414 -2.239 1.00 0.00 N ATOM 0 H HIS A 40 0.092 -11.267 -0.715 1.00 0.00 H new ATOM 0 HA HIS A 40 0.988 -9.561 1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.416 -7.702 0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.823 -7.978 -0.360 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.874 -9.548 -0.397 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.302 -7.125 -3.774 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.918 -8.630 -2.568 1.00 0.00 H new ATOM 584 N GLY A 41 -1.424 -9.741 2.407 1.00 0.00 N ATOM 585 CA GLY A 41 -2.625 -10.179 3.010 1.00 0.00 C ATOM 586 C GLY A 41 -3.648 -9.100 2.948 1.00 0.00 C ATOM 587 O GLY A 41 -4.582 -9.080 3.731 1.00 0.00 O ATOM 0 H GLY A 41 -0.956 -8.969 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.993 -11.070 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.440 -10.457 4.048 1.00 0.00 H new ATOM 591 N TYR A 42 -3.491 -8.180 1.988 1.00 0.00 N ATOM 592 CA TYR A 42 -4.408 -7.085 1.901 1.00 0.00 C ATOM 593 C TYR A 42 -5.429 -7.449 0.915 1.00 0.00 C ATOM 594 O TYR A 42 -5.326 -7.121 -0.264 1.00 0.00 O ATOM 595 CB TYR A 42 -3.753 -5.756 1.517 1.00 0.00 C ATOM 596 CG TYR A 42 -2.636 -5.302 2.421 1.00 0.00 C ATOM 597 CD1 TYR A 42 -2.492 -5.783 3.719 1.00 0.00 C ATOM 598 CD2 TYR A 42 -1.706 -4.411 1.958 1.00 0.00 C ATOM 599 CE1 TYR A 42 -1.454 -5.369 4.512 1.00 0.00 C ATOM 600 CE2 TYR A 42 -0.664 -4.008 2.738 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.540 -4.478 4.011 1.00 0.00 C ATOM 602 OH TYR A 42 0.545 -4.113 4.769 1.00 0.00 O ATOM 0 H TYR A 42 -2.751 -8.187 1.286 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.834 -6.918 2.890 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.365 -5.841 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.521 -4.983 1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.208 -6.492 4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.800 -4.020 0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.357 -5.741 5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.065 -3.314 2.346 1.00 0.00 H new ATOM 0 HH TYR A 42 0.546 -3.141 4.892 1.00 0.00 H new ATOM 612 N ILE A 43 -6.296 -8.272 1.352 1.00 0.00 N ATOM 613 CA ILE A 43 -7.377 -8.684 0.567 1.00 0.00 C ATOM 614 C ILE A 43 -8.485 -7.683 0.822 1.00 0.00 C ATOM 615 O ILE A 43 -8.849 -7.455 1.985 1.00 0.00 O ATOM 616 CB ILE A 43 -7.833 -10.099 0.985 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.614 -11.053 1.099 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.852 -10.645 -0.001 1.00 0.00 C ATOM 619 CD1 ILE A 43 -5.812 -11.253 -0.183 1.00 0.00 C ATOM 0 H ILE A 43 -6.271 -8.685 2.285 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.109 -8.725 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.307 -10.032 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.945 -10.668 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.967 -12.026 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.161 -11.643 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.721 -9.988 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.406 -10.697 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.985 -11.936 0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.458 -11.672 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.420 -10.294 -0.520 1.00 0.00 H new ATOM 631 N PRO A 44 -9.034 -7.065 -0.226 1.00 0.00 N ATOM 632 CA PRO A 44 -10.071 -6.028 -0.089 1.00 0.00 C ATOM 633 C PRO A 44 -11.339 -6.520 0.639 1.00 0.00 C ATOM 634 O PRO A 44 -12.149 -5.721 1.105 1.00 0.00 O ATOM 635 CB PRO A 44 -10.400 -5.644 -1.537 1.00 0.00 C ATOM 636 CG PRO A 44 -9.241 -6.103 -2.348 1.00 0.00 C ATOM 637 CD PRO A 44 -8.679 -7.298 -1.647 1.00 0.00 C ATOM 0 HA PRO A 44 -9.713 -5.197 0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.323 -6.120 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.544 -4.568 -1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.553 -6.358 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.492 -5.316 -2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.113 -8.225 -2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.600 -7.373 -1.784 1.00 0.00 H new ATOM 645 N SER A 45 -11.474 -7.824 0.773 1.00 0.00 N ATOM 646 CA SER A 45 -12.622 -8.415 1.389 1.00 0.00 C ATOM 647 C SER A 45 -12.485 -8.387 2.913 1.00 0.00 C ATOM 648 O SER A 45 -13.478 -8.276 3.638 1.00 0.00 O ATOM 649 CB SER A 45 -12.743 -9.846 0.899 1.00 0.00 C ATOM 650 OG SER A 45 -12.618 -9.885 -0.519 1.00 0.00 O ATOM 0 H SER A 45 -10.780 -8.499 0.452 1.00 0.00 H new ATOM 0 HA SER A 45 -13.516 -7.852 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.971 -10.463 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.704 -10.262 1.200 1.00 0.00 H new ATOM 0 HG SER A 45 -12.695 -10.812 -0.829 1.00 0.00 H new ATOM 656 N LYS A 46 -11.251 -8.460 3.399 1.00 0.00 N ATOM 657 CA LYS A 46 -11.023 -8.496 4.799 1.00 0.00 C ATOM 658 C LYS A 46 -10.779 -7.096 5.351 1.00 0.00 C ATOM 659 O LYS A 46 -10.922 -6.860 6.546 1.00 0.00 O ATOM 660 CB LYS A 46 -9.876 -9.438 5.135 1.00 0.00 C ATOM 661 CG LYS A 46 -8.497 -8.989 4.689 1.00 0.00 C ATOM 662 CD LYS A 46 -7.378 -9.758 5.397 1.00 0.00 C ATOM 663 CE LYS A 46 -7.523 -11.262 5.294 1.00 0.00 C ATOM 664 NZ LYS A 46 -6.383 -11.956 5.934 1.00 0.00 N ATOM 0 H LYS A 46 -10.407 -8.494 2.827 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.921 -8.883 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.857 -9.586 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.084 -10.408 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.404 -9.126 3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.383 -7.923 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.419 -9.463 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.361 -9.473 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.454 -11.573 5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.587 -11.553 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.518 -12.985 5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.500 -11.689 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.328 -11.683 6.936 1.00 0.00 H new ATOM 678 N PHE A 47 -10.393 -6.179 4.479 1.00 0.00 N ATOM 679 CA PHE A 47 -10.211 -4.791 4.865 1.00 0.00 C ATOM 680 C PHE A 47 -11.110 -3.916 3.992 1.00 0.00 C ATOM 681 O PHE A 47 -10.678 -3.424 2.943 1.00 0.00 O ATOM 682 CB PHE A 47 -8.746 -4.334 4.725 1.00 0.00 C ATOM 683 CG PHE A 47 -7.737 -5.175 5.468 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.776 -5.305 6.854 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.758 -5.858 4.772 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.864 -6.094 7.507 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.843 -6.651 5.433 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.898 -6.770 6.799 1.00 0.00 C ATOM 0 H PHE A 47 -10.199 -6.373 3.496 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.480 -4.693 5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.483 -4.330 3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.668 -3.305 5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.531 -4.780 7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.709 -5.770 3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.905 -6.185 8.582 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.083 -7.178 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.184 -7.393 7.317 1.00 0.00 H new ATOM 698 N PRO A 48 -12.377 -3.733 4.381 1.00 0.00 N ATOM 699 CA PRO A 48 -13.356 -3.005 3.556 1.00 0.00 C ATOM 700 C PRO A 48 -13.072 -1.500 3.487 1.00 0.00 C ATOM 701 O PRO A 48 -13.045 -0.899 2.408 1.00 0.00 O ATOM 702 CB PRO A 48 -14.680 -3.262 4.287 1.00 0.00 C ATOM 703 CG PRO A 48 -14.285 -3.500 5.704 1.00 0.00 C ATOM 704 CD PRO A 48 -12.981 -4.231 5.645 1.00 0.00 C ATOM 0 HA PRO A 48 -13.342 -3.340 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.353 -2.409 4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -15.202 -4.123 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.182 -2.559 6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.040 -4.087 6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.353 -4.008 6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.124 -5.311 5.626 1.00 0.00 H new ATOM 712 N ASN A 49 -12.772 -0.932 4.627 1.00 0.00 N ATOM 713 CA ASN A 49 -12.570 0.499 4.785 1.00 0.00 C ATOM 714 C ASN A 49 -11.258 0.982 4.205 1.00 0.00 C ATOM 715 O ASN A 49 -11.055 2.174 4.039 1.00 0.00 O ATOM 716 CB ASN A 49 -12.598 0.886 6.263 1.00 0.00 C ATOM 717 CG ASN A 49 -11.446 0.298 7.097 1.00 0.00 C ATOM 718 OD1 ASN A 49 -11.024 -0.854 6.906 1.00 0.00 O ATOM 719 ND2 ASN A 49 -10.874 1.105 7.948 1.00 0.00 N ATOM 0 H ASN A 49 -12.657 -1.456 5.494 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.386 0.973 4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.569 1.973 6.342 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.545 0.560 6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.059 0.794 8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.242 2.046 8.085 1.00 0.00 H new ATOM 726 N LYS A 50 -10.383 0.076 3.888 1.00 0.00 N ATOM 727 CA LYS A 50 -9.065 0.435 3.482 1.00 0.00 C ATOM 728 C LYS A 50 -8.932 0.660 1.979 1.00 0.00 C ATOM 729 O LYS A 50 -7.835 0.831 1.458 1.00 0.00 O ATOM 730 CB LYS A 50 -8.096 -0.547 4.096 1.00 0.00 C ATOM 731 CG LYS A 50 -8.191 -0.445 5.589 1.00 0.00 C ATOM 732 CD LYS A 50 -7.257 -1.331 6.362 1.00 0.00 C ATOM 733 CE LYS A 50 -7.358 -1.003 7.850 1.00 0.00 C ATOM 734 NZ LYS A 50 -8.667 -1.336 8.445 1.00 0.00 N ATOM 0 H LYS A 50 -10.565 -0.928 3.904 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.809 1.422 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.328 -1.561 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.080 -0.332 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.003 0.589 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.213 -0.678 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.508 -2.378 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.233 -1.188 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.578 -1.544 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.164 0.060 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.718 -0.950 9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.426 -0.923 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.780 -2.369 8.479 1.00 0.00 H new ATOM 748 N ASN A 51 -10.094 0.675 1.324 1.00 0.00 N ATOM 749 CA ASN A 51 -10.290 1.091 -0.076 1.00 0.00 C ATOM 750 C ASN A 51 -9.287 0.464 -1.059 1.00 0.00 C ATOM 751 O ASN A 51 -8.700 1.158 -1.908 1.00 0.00 O ATOM 752 CB ASN A 51 -10.235 2.630 -0.166 1.00 0.00 C ATOM 753 CG ASN A 51 -10.739 3.150 -1.488 1.00 0.00 C ATOM 754 OD1 ASN A 51 -11.626 2.566 -2.095 1.00 0.00 O ATOM 755 ND2 ASN A 51 -10.178 4.225 -1.953 1.00 0.00 N ATOM 0 H ASN A 51 -10.965 0.386 1.769 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.271 0.723 -0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.830 3.059 0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.208 2.963 -0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.475 4.607 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.441 4.687 -1.420 1.00 0.00 H new ATOM 762 N LEU A 52 -9.101 -0.825 -0.980 1.00 0.00 N ATOM 763 CA LEU A 52 -8.206 -1.474 -1.879 1.00 0.00 C ATOM 764 C LEU A 52 -8.829 -1.642 -3.247 1.00 0.00 C ATOM 765 O LEU A 52 -9.510 -2.637 -3.520 1.00 0.00 O ATOM 766 CB LEU A 52 -7.695 -2.803 -1.343 1.00 0.00 C ATOM 767 CG LEU A 52 -6.789 -2.768 -0.106 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.811 -1.611 -0.152 1.00 0.00 C ATOM 769 CD2 LEU A 52 -7.575 -2.813 1.193 1.00 0.00 C ATOM 0 H LEU A 52 -9.557 -1.438 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.338 -0.822 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.559 -3.426 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.150 -3.302 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.194 -3.681 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.189 -1.624 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.178 -1.704 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.361 -0.671 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.885 -2.786 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.244 -1.954 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.160 -3.732 1.232 1.00 0.00 H new ATOM 781 N LYS A 53 -8.653 -0.646 -4.087 1.00 0.00 N ATOM 782 CA LYS A 53 -9.198 -0.690 -5.410 1.00 0.00 C ATOM 783 C LYS A 53 -8.095 -0.812 -6.398 1.00 0.00 C ATOM 784 O LYS A 53 -7.079 -0.101 -6.317 1.00 0.00 O ATOM 785 CB LYS A 53 -10.007 0.543 -5.767 1.00 0.00 C ATOM 786 CG LYS A 53 -11.076 1.003 -4.760 1.00 0.00 C ATOM 787 CD LYS A 53 -12.405 0.213 -4.797 1.00 0.00 C ATOM 788 CE LYS A 53 -12.285 -1.222 -4.319 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.601 -1.882 -4.210 1.00 0.00 N ATOM 0 H LYS A 53 -8.133 0.204 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.865 -1.551 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.312 1.369 -5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.500 0.358 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.659 0.933 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.293 2.056 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.140 0.730 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.788 0.214 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.655 -1.782 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.789 -1.240 -3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.473 -2.860 -3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.194 -1.363 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.064 -1.888 -5.141 1.00 0.00 H new ATOM 803 N LYS A 54 -8.351 -1.660 -7.338 1.00 0.00 N ATOM 804 CA LYS A 54 -7.478 -2.020 -8.422 1.00 0.00 C ATOM 805 C LYS A 54 -6.021 -2.143 -8.004 1.00 0.00 C ATOM 806 O LYS A 54 -5.671 -2.992 -7.188 1.00 0.00 O ATOM 807 CB LYS A 54 -7.678 -1.099 -9.635 1.00 0.00 C ATOM 808 CG LYS A 54 -9.145 -0.944 -10.032 1.00 0.00 C ATOM 809 CD LYS A 54 -9.315 -0.327 -11.408 1.00 0.00 C ATOM 810 CE LYS A 54 -8.837 -1.293 -12.470 1.00 0.00 C ATOM 811 NZ LYS A 54 -9.039 -0.794 -13.834 1.00 0.00 N ATOM 0 H LYS A 54 -9.239 -2.160 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.766 -3.024 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.262 -0.117 -9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.118 -1.496 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.628 -1.921 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.654 -0.323 -9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.362 -0.077 -11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.751 0.604 -11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.777 -1.496 -12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.363 -2.240 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.693 -1.498 -14.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.052 -0.625 -13.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.515 0.096 -13.959 1.00 0.00 H new ATOM 825 N ASN A 55 -5.215 -1.276 -8.521 1.00 0.00 N ATOM 826 CA ASN A 55 -3.805 -1.217 -8.244 1.00 0.00 C ATOM 827 C ASN A 55 -3.491 0.236 -7.989 1.00 0.00 C ATOM 828 O ASN A 55 -2.428 0.743 -8.301 1.00 0.00 O ATOM 829 CB ASN A 55 -3.000 -1.759 -9.454 1.00 0.00 C ATOM 830 CG ASN A 55 -3.136 -0.926 -10.735 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.195 -0.342 -11.024 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.084 -0.868 -11.508 1.00 0.00 N ATOM 0 H ASN A 55 -5.526 -0.558 -9.175 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.534 -1.830 -7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.946 -1.810 -9.179 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.325 -2.778 -9.663 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.118 -0.333 -12.376 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.229 -1.358 -11.244 1.00 0.00 H new ATOM 839 N TYR A 56 -4.455 0.897 -7.418 1.00 0.00 N ATOM 840 CA TYR A 56 -4.362 2.289 -7.145 1.00 0.00 C ATOM 841 C TYR A 56 -3.700 2.524 -5.817 1.00 0.00 C ATOM 842 O TYR A 56 -3.919 1.755 -4.879 1.00 0.00 O ATOM 843 CB TYR A 56 -5.739 2.917 -7.212 1.00 0.00 C ATOM 844 CG TYR A 56 -6.355 2.961 -8.598 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.592 2.750 -9.750 1.00 0.00 C ATOM 846 CD2 TYR A 56 -7.698 3.244 -8.755 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.155 2.820 -10.998 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.268 3.310 -10.007 1.00 0.00 C ATOM 849 CZ TYR A 56 -7.489 3.099 -11.122 1.00 0.00 C ATOM 850 OH TYR A 56 -8.052 3.180 -12.368 1.00 0.00 O ATOM 0 H TYR A 56 -5.336 0.473 -7.128 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.739 2.766 -7.901 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.407 2.364 -6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.678 3.934 -6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.539 2.528 -9.655 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.311 3.416 -7.882 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.550 2.656 -11.877 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.321 3.526 -10.113 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.028 3.153 -12.288 1.00 0.00 H new ATOM 860 N CYS A 57 -2.920 3.604 -5.714 1.00 0.00 N ATOM 861 CA CYS A 57 -2.144 3.843 -4.509 1.00 0.00 C ATOM 862 C CYS A 57 -3.058 4.118 -3.363 1.00 0.00 C ATOM 863 O CYS A 57 -3.925 5.003 -3.438 1.00 0.00 O ATOM 864 CB CYS A 57 -1.179 4.998 -4.664 1.00 0.00 C ATOM 865 SG CYS A 57 -0.036 4.869 -6.073 1.00 0.00 S ATOM 0 H CYS A 57 -2.814 4.312 -6.441 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.559 2.943 -4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.753 5.919 -4.766 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.594 5.087 -3.749 1.00 0.00 H new ATOM 870 N ARG A 58 -2.897 3.365 -2.328 1.00 0.00 N ATOM 871 CA ARG A 58 -3.725 3.469 -1.173 1.00 0.00 C ATOM 872 C ARG A 58 -2.843 3.450 0.046 1.00 0.00 C ATOM 873 O ARG A 58 -1.638 3.229 -0.059 1.00 0.00 O ATOM 874 CB ARG A 58 -4.736 2.292 -1.130 1.00 0.00 C ATOM 875 CG ARG A 58 -5.745 2.261 -2.276 1.00 0.00 C ATOM 876 CD ARG A 58 -6.537 3.558 -2.343 1.00 0.00 C ATOM 877 NE ARG A 58 -7.549 3.566 -3.411 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.464 4.285 -4.548 1.00 0.00 C ATOM 879 NH1 ARG A 58 -6.348 4.957 -4.841 1.00 0.00 N ATOM 880 NH2 ARG A 58 -8.494 4.341 -5.391 1.00 0.00 N ATOM 0 H ARG A 58 -2.175 2.648 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.293 4.399 -1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.179 1.355 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.282 2.337 -0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.224 2.100 -3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.427 1.421 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.029 3.726 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.849 4.389 -2.498 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.377 2.984 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.553 4.928 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.291 5.499 -5.703 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.355 3.838 -5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.421 4.887 -6.249 1.00 0.00 H new ATOM 894 N ASN A 59 -3.414 3.721 1.166 1.00 0.00 N ATOM 895 CA ASN A 59 -2.722 3.624 2.429 1.00 0.00 C ATOM 896 C ASN A 59 -3.630 2.806 3.326 1.00 0.00 C ATOM 897 O ASN A 59 -4.437 3.351 4.064 1.00 0.00 O ATOM 898 CB ASN A 59 -2.467 5.022 3.044 1.00 0.00 C ATOM 899 CG ASN A 59 -1.612 4.999 4.303 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.495 3.997 4.977 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.068 6.134 4.665 1.00 0.00 N ATOM 0 H ASN A 59 -4.386 4.021 1.246 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.742 3.162 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.981 5.652 2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.426 5.485 3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.532 6.189 5.531 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.181 6.963 4.081 1.00 0.00 H new ATOM 908 N PRO A 60 -3.597 1.482 3.179 1.00 0.00 N ATOM 909 CA PRO A 60 -4.502 0.612 3.899 1.00 0.00 C ATOM 910 C PRO A 60 -4.014 0.275 5.292 1.00 0.00 C ATOM 911 O PRO A 60 -4.756 0.341 6.268 1.00 0.00 O ATOM 912 CB PRO A 60 -4.529 -0.641 3.030 1.00 0.00 C ATOM 913 CG PRO A 60 -3.176 -0.694 2.375 1.00 0.00 C ATOM 914 CD PRO A 60 -2.673 0.726 2.292 1.00 0.00 C ATOM 0 HA PRO A 60 -5.476 1.076 4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.712 -1.533 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.325 -0.588 2.287 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.491 -1.313 2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.245 -1.138 1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.640 0.805 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.703 1.102 1.269 1.00 0.00 H new ATOM 922 N ASP A 61 -2.769 -0.039 5.373 1.00 0.00 N ATOM 923 CA ASP A 61 -2.149 -0.479 6.576 1.00 0.00 C ATOM 924 C ASP A 61 -1.823 0.660 7.517 1.00 0.00 C ATOM 925 O ASP A 61 -1.431 0.439 8.680 1.00 0.00 O ATOM 926 CB ASP A 61 -0.931 -1.316 6.271 1.00 0.00 C ATOM 927 CG ASP A 61 0.048 -0.734 5.272 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.093 0.446 4.855 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.947 -1.495 4.859 1.00 0.00 O ATOM 0 H ASP A 61 -2.132 0.004 4.578 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.872 -1.104 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.399 -1.500 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.265 -2.284 5.899 1.00 0.00 H new ATOM 934 N ARG A 62 -1.988 1.862 7.015 1.00 0.00 N ATOM 935 CA ARG A 62 -1.819 3.076 7.767 1.00 0.00 C ATOM 936 C ARG A 62 -0.378 3.350 8.134 1.00 0.00 C ATOM 937 O ARG A 62 0.012 3.336 9.302 1.00 0.00 O ATOM 938 CB ARG A 62 -2.805 3.200 8.946 1.00 0.00 C ATOM 939 CG ARG A 62 -4.245 3.427 8.491 1.00 0.00 C ATOM 940 CD ARG A 62 -5.223 3.503 9.657 1.00 0.00 C ATOM 941 NE ARG A 62 -5.603 2.183 10.200 1.00 0.00 N ATOM 942 CZ ARG A 62 -5.396 1.774 11.458 1.00 0.00 C ATOM 943 NH1 ARG A 62 -4.616 2.485 12.260 1.00 0.00 N ATOM 944 NH2 ARG A 62 -5.961 0.646 11.909 1.00 0.00 N ATOM 0 H ARG A 62 -2.251 2.023 6.043 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.092 3.887 7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.758 2.294 9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.497 4.026 9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.299 4.351 7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.543 2.618 7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.779 4.100 10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.123 4.025 9.332 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.061 1.529 9.565 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.177 3.340 11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.455 2.178 13.219 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.554 0.091 11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.798 0.342 12.869 1.00 0.00 H new ATOM 958 N ASP A 63 0.427 3.484 7.110 1.00 0.00 N ATOM 959 CA ASP A 63 1.810 3.862 7.244 1.00 0.00 C ATOM 960 C ASP A 63 1.914 5.408 7.156 1.00 0.00 C ATOM 961 O ASP A 63 0.895 6.106 7.312 1.00 0.00 O ATOM 962 CB ASP A 63 2.635 3.192 6.150 1.00 0.00 C ATOM 963 CG ASP A 63 4.087 3.277 6.488 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.480 2.749 7.545 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.861 3.861 5.739 1.00 0.00 O ATOM 0 H ASP A 63 0.134 3.331 6.145 1.00 0.00 H new ATOM 0 HA ASP A 63 2.202 3.535 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.337 2.149 6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.446 3.676 5.192 1.00 0.00 H new ATOM 970 N LEU A 64 3.094 5.937 6.895 1.00 0.00 N ATOM 971 CA LEU A 64 3.348 7.369 6.913 1.00 0.00 C ATOM 972 C LEU A 64 2.884 8.060 5.631 1.00 0.00 C ATOM 973 O LEU A 64 2.592 9.265 5.638 1.00 0.00 O ATOM 974 CB LEU A 64 4.852 7.662 7.152 1.00 0.00 C ATOM 975 CG LEU A 64 5.453 7.355 8.557 1.00 0.00 C ATOM 976 CD1 LEU A 64 5.398 5.876 8.918 1.00 0.00 C ATOM 977 CD2 LEU A 64 6.884 7.844 8.624 1.00 0.00 C ATOM 0 H LEU A 64 3.915 5.379 6.661 1.00 0.00 H new ATOM 0 HA LEU A 64 2.765 7.776 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.422 7.095 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.022 8.718 6.942 1.00 0.00 H new ATOM 0 HG LEU A 64 4.838 7.884 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.831 5.727 9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.361 5.541 8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.963 5.301 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.297 7.626 9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.477 7.339 7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.909 8.920 8.450 1.00 0.00 H new ATOM 989 N ARG A 65 2.813 7.315 4.548 1.00 0.00 N ATOM 990 CA ARG A 65 2.422 7.858 3.254 1.00 0.00 C ATOM 991 C ARG A 65 1.809 6.728 2.441 1.00 0.00 C ATOM 992 O ARG A 65 2.223 5.585 2.613 1.00 0.00 O ATOM 993 CB ARG A 65 3.675 8.393 2.522 1.00 0.00 C ATOM 994 CG ARG A 65 3.408 9.083 1.186 1.00 0.00 C ATOM 995 CD ARG A 65 4.697 9.368 0.423 1.00 0.00 C ATOM 996 NE ARG A 65 5.663 10.153 1.203 1.00 0.00 N ATOM 997 CZ ARG A 65 6.529 11.051 0.709 1.00 0.00 C ATOM 998 NH1 ARG A 65 6.488 11.402 -0.565 1.00 0.00 N ATOM 999 NH2 ARG A 65 7.413 11.613 1.504 1.00 0.00 N ATOM 0 H ARG A 65 3.023 6.317 4.534 1.00 0.00 H new ATOM 0 HA ARG A 65 1.708 8.672 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.186 9.096 3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.359 7.561 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.758 8.455 0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.876 10.018 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.156 8.424 0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.458 9.904 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 65 5.677 10.002 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.792 10.989 -1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.152 12.086 -0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.439 11.366 2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.073 12.296 1.131 1.00 0.00 H new ATOM 1013 N PRO A 66 0.776 7.003 1.604 1.00 0.00 N ATOM 1014 CA PRO A 66 0.204 5.996 0.699 1.00 0.00 C ATOM 1015 C PRO A 66 1.247 5.380 -0.210 1.00 0.00 C ATOM 1016 O PRO A 66 2.265 6.011 -0.571 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.807 6.786 -0.114 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.228 7.839 0.821 1.00 0.00 C ATOM 1019 CD PRO A 66 0.033 8.275 1.507 1.00 0.00 C ATOM 0 HA PRO A 66 -0.229 5.158 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.362 7.202 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.646 6.166 -0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.698 8.669 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.957 7.462 1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.576 9.023 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.163 8.710 2.487 1.00 0.00 H new ATOM 1027 N TRP A 67 0.973 4.199 -0.631 1.00 0.00 N ATOM 1028 CA TRP A 67 1.914 3.422 -1.347 1.00 0.00 C ATOM 1029 C TRP A 67 1.186 2.397 -2.187 1.00 0.00 C ATOM 1030 O TRP A 67 -0.048 2.456 -2.293 1.00 0.00 O ATOM 1031 CB TRP A 67 2.903 2.768 -0.355 1.00 0.00 C ATOM 1032 CG TRP A 67 2.287 1.855 0.666 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.740 2.201 1.876 1.00 0.00 C ATOM 1034 CD2 TRP A 67 2.197 0.438 0.581 1.00 0.00 C ATOM 1035 NE1 TRP A 67 1.307 1.077 2.525 1.00 0.00 N ATOM 1036 CE2 TRP A 67 1.588 -0.016 1.748 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.576 -0.492 -0.382 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 1.354 -1.356 1.973 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 2.337 -1.818 -0.152 1.00 0.00 C ATOM 1040 CH2 TRP A 67 1.736 -2.239 1.015 1.00 0.00 C ATOM 0 H TRP A 67 0.074 3.739 -0.485 1.00 0.00 H new ATOM 0 HA TRP A 67 2.492 4.052 -2.023 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.641 2.202 -0.924 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.442 3.558 0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.663 3.208 2.258 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.850 1.056 3.437 1.00 0.00 H new ATOM 0 HE3 TRP A 67 3.052 -0.171 -1.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.881 -1.693 2.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.623 -2.547 -0.896 1.00 0.00 H new ATOM 0 HH2 TRP A 67 1.565 -3.294 1.171 1.00 0.00 H new ATOM 1051 N CYS A 68 1.914 1.501 -2.808 1.00 0.00 N ATOM 1052 CA CYS A 68 1.303 0.477 -3.600 1.00 0.00 C ATOM 1053 C CYS A 68 2.322 -0.638 -3.835 1.00 0.00 C ATOM 1054 O CYS A 68 3.533 -0.412 -3.682 1.00 0.00 O ATOM 1055 CB CYS A 68 0.819 1.073 -4.924 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.774 0.415 -5.473 1.00 0.00 S ATOM 0 H CYS A 68 2.933 1.465 -2.776 1.00 0.00 H new ATOM 0 HA CYS A 68 0.439 0.060 -3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.739 2.155 -4.818 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.567 0.882 -5.694 1.00 0.00 H new ATOM 1061 N PHE A 69 1.857 -1.834 -4.150 1.00 0.00 N ATOM 1062 CA PHE A 69 2.761 -2.940 -4.433 1.00 0.00 C ATOM 1063 C PHE A 69 3.286 -2.813 -5.830 1.00 0.00 C ATOM 1064 O PHE A 69 2.630 -2.271 -6.671 1.00 0.00 O ATOM 1065 CB PHE A 69 2.069 -4.291 -4.270 1.00 0.00 C ATOM 1066 CG PHE A 69 1.969 -4.777 -2.864 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.018 -5.479 -2.301 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.844 -4.549 -2.110 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.948 -5.941 -1.011 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.764 -5.009 -0.814 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.818 -5.704 -0.265 1.00 0.00 C ATOM 0 H PHE A 69 0.866 -2.066 -4.217 1.00 0.00 H new ATOM 0 HA PHE A 69 3.581 -2.894 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.065 -4.222 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.609 -5.033 -4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.907 -5.667 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.015 -4.004 -2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.776 -6.488 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.125 -4.825 -0.229 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.757 -6.063 0.752 1.00 0.00 H new ATOM 1081 N THR A 70 4.441 -3.293 -6.077 1.00 0.00 N ATOM 1082 CA THR A 70 5.004 -3.215 -7.389 1.00 0.00 C ATOM 1083 C THR A 70 4.777 -4.476 -8.188 1.00 0.00 C ATOM 1084 O THR A 70 4.610 -5.573 -7.626 1.00 0.00 O ATOM 1085 CB THR A 70 6.482 -2.979 -7.274 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.922 -3.518 -6.030 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.822 -1.517 -7.368 1.00 0.00 C ATOM 0 H THR A 70 5.033 -3.753 -5.385 1.00 0.00 H new ATOM 0 HA THR A 70 4.511 -2.395 -7.910 1.00 0.00 H new ATOM 0 HB THR A 70 6.990 -3.472 -8.103 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.372 -4.374 -6.186 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.901 -1.388 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.487 -1.127 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.325 -0.975 -6.563 1.00 0.00 H new ATOM 1095 N THR A 71 4.740 -4.326 -9.484 1.00 0.00 N ATOM 1096 CA THR A 71 4.708 -5.445 -10.357 1.00 0.00 C ATOM 1097 C THR A 71 6.134 -5.946 -10.595 1.00 0.00 C ATOM 1098 O THR A 71 6.335 -7.113 -10.932 1.00 0.00 O ATOM 1099 CB THR A 71 4.047 -5.069 -11.692 1.00 0.00 C ATOM 1100 OG1 THR A 71 4.628 -3.854 -12.179 1.00 0.00 O ATOM 1101 CG2 THR A 71 2.549 -4.886 -11.531 1.00 0.00 C ATOM 0 H THR A 71 4.731 -3.421 -9.955 1.00 0.00 H new ATOM 0 HA THR A 71 4.119 -6.238 -9.897 1.00 0.00 H new ATOM 0 HB THR A 71 4.216 -5.879 -12.402 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.463 -3.775 -13.142 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.109 -4.620 -12.492 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.105 -5.815 -11.173 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.355 -4.091 -10.811 1.00 0.00 H new ATOM 1109 N ASP A 72 7.128 -5.064 -10.346 1.00 0.00 N ATOM 1110 CA ASP A 72 8.520 -5.394 -10.565 1.00 0.00 C ATOM 1111 C ASP A 72 8.929 -6.460 -9.590 1.00 0.00 C ATOM 1112 O ASP A 72 8.736 -6.281 -8.406 1.00 0.00 O ATOM 1113 CB ASP A 72 9.409 -4.169 -10.363 1.00 0.00 C ATOM 1114 CG ASP A 72 10.864 -4.483 -10.635 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.295 -4.354 -11.798 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.606 -4.864 -9.697 1.00 0.00 O ATOM 0 H ASP A 72 6.972 -4.120 -9.992 1.00 0.00 H new ATOM 0 HA ASP A 72 8.638 -5.746 -11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.080 -3.367 -11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.300 -3.805 -9.342 1.00 0.00 H new ATOM 1121 N PRO A 73 9.479 -7.579 -10.066 1.00 0.00 N ATOM 1122 CA PRO A 73 9.850 -8.710 -9.216 1.00 0.00 C ATOM 1123 C PRO A 73 10.740 -8.344 -8.028 1.00 0.00 C ATOM 1124 O PRO A 73 10.502 -8.815 -6.910 1.00 0.00 O ATOM 1125 CB PRO A 73 10.573 -9.663 -10.160 1.00 0.00 C ATOM 1126 CG PRO A 73 10.082 -9.320 -11.502 1.00 0.00 C ATOM 1127 CD PRO A 73 9.758 -7.857 -11.489 1.00 0.00 C ATOM 0 HA PRO A 73 8.963 -9.138 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.654 -9.540 -10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.355 -10.702 -9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.836 -9.541 -12.257 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.199 -9.908 -11.752 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.590 -7.258 -11.859 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.897 -7.631 -12.119 1.00 0.00 H new ATOM 1135 N ASN A 74 11.707 -7.477 -8.250 1.00 0.00 N ATOM 1136 CA ASN A 74 12.655 -7.105 -7.206 1.00 0.00 C ATOM 1137 C ASN A 74 11.994 -6.254 -6.152 1.00 0.00 C ATOM 1138 O ASN A 74 12.195 -6.465 -4.949 1.00 0.00 O ATOM 1139 CB ASN A 74 13.851 -6.351 -7.783 1.00 0.00 C ATOM 1140 CG ASN A 74 14.897 -6.000 -6.730 1.00 0.00 C ATOM 1141 OD1 ASN A 74 14.855 -4.942 -6.100 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.832 -6.883 -6.540 1.00 0.00 N ATOM 0 H ASN A 74 11.862 -7.013 -9.145 1.00 0.00 H new ATOM 0 HA ASN A 74 13.007 -8.031 -6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.315 -6.957 -8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.501 -5.435 -8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.563 -6.711 -5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.834 -7.748 -7.081 1.00 0.00 H new ATOM 1149 N LYS A 75 11.166 -5.344 -6.580 1.00 0.00 N ATOM 1150 CA LYS A 75 10.556 -4.424 -5.672 1.00 0.00 C ATOM 1151 C LYS A 75 9.368 -5.119 -5.034 1.00 0.00 C ATOM 1152 O LYS A 75 8.565 -5.713 -5.734 1.00 0.00 O ATOM 1153 CB LYS A 75 10.058 -3.210 -6.445 1.00 0.00 C ATOM 1154 CG LYS A 75 9.867 -1.959 -5.595 1.00 0.00 C ATOM 1155 CD LYS A 75 11.167 -1.456 -5.000 1.00 0.00 C ATOM 1156 CE LYS A 75 10.940 -0.168 -4.238 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.165 0.321 -3.601 1.00 0.00 N ATOM 0 H LYS A 75 10.899 -5.222 -7.557 1.00 0.00 H new ATOM 0 HA LYS A 75 11.272 -4.105 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.765 -2.988 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.109 -3.461 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.423 -1.173 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.163 -2.174 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.584 -2.211 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.897 -1.292 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.558 0.593 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.176 -0.328 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.150 1.361 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.224 -0.051 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.991 0.001 -4.146 1.00 0.00 H new ATOM 1171 N ARG A 76 9.235 -5.069 -3.745 1.00 0.00 N ATOM 1172 CA ARG A 76 8.082 -5.716 -3.148 1.00 0.00 C ATOM 1173 C ARG A 76 6.948 -4.739 -3.159 1.00 0.00 C ATOM 1174 O ARG A 76 5.822 -5.058 -3.560 1.00 0.00 O ATOM 1175 CB ARG A 76 8.334 -6.211 -1.725 1.00 0.00 C ATOM 1176 CG ARG A 76 7.204 -7.112 -1.239 1.00 0.00 C ATOM 1177 CD ARG A 76 7.411 -7.672 0.159 1.00 0.00 C ATOM 1178 NE ARG A 76 6.270 -8.547 0.518 1.00 0.00 N ATOM 1179 CZ ARG A 76 6.086 -9.207 1.670 1.00 0.00 C ATOM 1180 NH1 ARG A 76 7.049 -9.293 2.555 1.00 0.00 N ATOM 1181 NH2 ARG A 76 4.969 -9.886 1.869 1.00 0.00 N ATOM 0 H ARG A 76 9.876 -4.610 -3.098 1.00 0.00 H new ATOM 0 HA ARG A 76 7.850 -6.604 -3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.277 -6.757 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.435 -5.358 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.271 -6.548 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.090 -7.941 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.343 -8.236 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.499 -6.858 0.879 1.00 0.00 H new ATOM 0 HE ARG A 76 5.544 -8.659 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.951 -8.855 2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.896 -9.798 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.249 -9.907 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.827 -10.389 2.745 1.00 0.00 H new ATOM 1195 N TRP A 77 7.267 -3.551 -2.755 1.00 0.00 N ATOM 1196 CA TRP A 77 6.346 -2.453 -2.739 1.00 0.00 C ATOM 1197 C TRP A 77 7.113 -1.172 -2.787 1.00 0.00 C ATOM 1198 O TRP A 77 8.343 -1.177 -2.664 1.00 0.00 O ATOM 1199 CB TRP A 77 5.447 -2.476 -1.491 1.00 0.00 C ATOM 1200 CG TRP A 77 6.169 -2.380 -0.160 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.788 -3.386 0.524 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.316 -1.202 0.653 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.309 -2.904 1.704 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.034 -1.571 1.801 1.00 0.00 C ATOM 1205 CE3 TRP A 77 5.912 0.130 0.515 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.354 -0.664 2.807 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.230 1.027 1.511 1.00 0.00 C ATOM 1208 CH2 TRP A 77 6.945 0.628 2.643 1.00 0.00 C ATOM 0 H TRP A 77 8.199 -3.308 -2.418 1.00 0.00 H new ATOM 0 HA TRP A 77 5.697 -2.540 -3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.739 -1.650 -1.560 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.864 -3.397 -1.502 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.859 -4.410 0.189 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.819 -3.455 2.395 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.361 0.450 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 7.905 -0.971 3.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.921 2.057 1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.179 1.357 3.404 1.00 0.00 H new ATOM 1219 N GLU A 78 6.413 -0.095 -2.951 1.00 0.00 N ATOM 1220 CA GLU A 78 7.031 1.200 -2.969 1.00 0.00 C ATOM 1221 C GLU A 78 6.005 2.239 -2.583 1.00 0.00 C ATOM 1222 O GLU A 78 4.796 2.010 -2.739 1.00 0.00 O ATOM 1223 CB GLU A 78 7.590 1.531 -4.356 1.00 0.00 C ATOM 1224 CG GLU A 78 8.526 2.718 -4.350 1.00 0.00 C ATOM 1225 CD GLU A 78 9.113 3.006 -5.681 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.463 3.664 -6.494 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.259 2.607 -5.934 1.00 0.00 O ATOM 0 H GLU A 78 5.401 -0.084 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 78 7.859 1.198 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.119 0.661 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.762 1.732 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.985 3.597 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.330 2.535 -3.637 1.00 0.00 H new ATOM 1234 N TYR A 79 6.469 3.370 -2.084 1.00 0.00 N ATOM 1235 CA TYR A 79 5.601 4.455 -1.757 1.00 0.00 C ATOM 1236 C TYR A 79 5.085 5.083 -3.013 1.00 0.00 C ATOM 1237 O TYR A 79 5.680 4.946 -4.086 1.00 0.00 O ATOM 1238 CB TYR A 79 6.306 5.512 -0.918 1.00 0.00 C ATOM 1239 CG TYR A 79 6.550 5.129 0.514 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.607 5.420 1.484 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.717 4.501 0.900 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.818 5.094 2.805 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.941 4.173 2.216 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.987 4.471 3.168 1.00 0.00 C ATOM 1245 OH TYR A 79 7.218 4.161 4.495 1.00 0.00 O ATOM 0 H TYR A 79 7.456 3.549 -1.899 1.00 0.00 H new ATOM 0 HA TYR A 79 4.776 4.053 -1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.263 5.745 -1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.712 6.425 -0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.689 5.912 1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.465 4.264 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.071 5.326 3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.860 3.684 2.504 1.00 0.00 H new ATOM 0 HH TYR A 79 6.364 3.992 4.945 1.00 0.00 H new ATOM 1255 N CYS A 80 4.003 5.746 -2.897 1.00 0.00 N ATOM 1256 CA CYS A 80 3.436 6.425 -4.002 1.00 0.00 C ATOM 1257 C CYS A 80 3.556 7.885 -3.686 1.00 0.00 C ATOM 1258 O CYS A 80 3.457 8.276 -2.514 1.00 0.00 O ATOM 1259 CB CYS A 80 1.979 6.042 -4.149 1.00 0.00 C ATOM 1260 SG CYS A 80 1.236 6.424 -5.761 1.00 0.00 S ATOM 0 H CYS A 80 3.477 5.837 -2.028 1.00 0.00 H new ATOM 0 HA CYS A 80 3.939 6.173 -4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.881 4.972 -3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.406 6.551 -3.374 1.00 0.00 H new ATOM 1265 N ASP A 81 3.779 8.683 -4.664 1.00 0.00 N ATOM 1266 CA ASP A 81 3.957 10.084 -4.422 1.00 0.00 C ATOM 1267 C ASP A 81 2.669 10.810 -4.657 1.00 0.00 C ATOM 1268 O ASP A 81 2.334 11.218 -5.775 1.00 0.00 O ATOM 1269 CB ASP A 81 5.104 10.692 -5.220 1.00 0.00 C ATOM 1270 CG ASP A 81 5.304 12.157 -4.887 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.571 12.482 -3.710 1.00 0.00 O ATOM 1272 OD2 ASP A 81 5.186 13.011 -5.787 1.00 0.00 O ATOM 0 H ASP A 81 3.844 8.400 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 81 4.242 10.199 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.023 10.143 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.902 10.585 -6.286 1.00 0.00 H new ATOM 1277 N ILE A 82 1.908 10.877 -3.615 1.00 0.00 N ATOM 1278 CA ILE A 82 0.630 11.499 -3.632 1.00 0.00 C ATOM 1279 C ILE A 82 0.785 12.960 -3.235 1.00 0.00 C ATOM 1280 O ILE A 82 1.637 13.282 -2.390 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.297 10.794 -2.605 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.279 9.279 -2.826 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.724 11.322 -2.689 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -0.808 8.830 -4.170 1.00 0.00 C ATOM 0 H ILE A 82 2.166 10.491 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 82 0.198 11.426 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 82 0.083 11.013 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.745 8.922 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.868 8.804 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.346 10.807 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.729 12.392 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.119 11.145 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.757 7.743 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.844 9.152 -4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.205 9.271 -4.964 1.00 0.00 H new ATOM 1296 N PRO A 83 0.068 13.866 -3.914 1.00 0.00 N ATOM 1297 CA PRO A 83 -0.030 15.277 -3.527 1.00 0.00 C ATOM 1298 C PRO A 83 -0.311 15.448 -2.018 1.00 0.00 C ATOM 1299 O PRO A 83 -1.186 14.797 -1.460 1.00 0.00 O ATOM 1300 CB PRO A 83 -1.242 15.727 -4.332 1.00 0.00 C ATOM 1301 CG PRO A 83 -1.103 14.987 -5.602 1.00 0.00 C ATOM 1302 CD PRO A 83 -0.651 13.613 -5.192 1.00 0.00 C ATOM 0 HA PRO A 83 0.887 15.837 -3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.175 15.482 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.240 16.805 -4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -2.048 14.948 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.377 15.463 -6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.493 12.935 -5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.001 13.163 -5.940 1.00 0.00 H new ATOM 1310 N ARG A 84 0.410 16.331 -1.382 1.00 0.00 N ATOM 1311 CA ARG A 84 0.276 16.554 0.046 1.00 0.00 C ATOM 1312 C ARG A 84 -0.625 17.705 0.279 1.00 0.00 C ATOM 1313 O ARG A 84 -0.714 18.599 -0.552 1.00 0.00 O ATOM 1314 CB ARG A 84 1.616 16.804 0.761 1.00 0.00 C ATOM 1315 CG ARG A 84 2.451 15.566 1.048 1.00 0.00 C ATOM 1316 CD ARG A 84 3.057 14.964 -0.203 1.00 0.00 C ATOM 1317 NE ARG A 84 4.004 15.875 -0.854 1.00 0.00 N ATOM 1318 CZ ARG A 84 4.513 15.709 -2.081 1.00 0.00 C ATOM 1319 NH1 ARG A 84 3.987 14.812 -2.916 1.00 0.00 N ATOM 1320 NH2 ARG A 84 5.491 16.501 -2.493 1.00 0.00 N ATOM 0 H ARG A 84 1.110 16.921 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.137 15.638 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.209 17.487 0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.414 17.311 1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.249 15.825 1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.828 14.819 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.567 14.035 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.262 14.709 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 84 4.298 16.700 -0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.191 14.246 -2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.381 14.692 -3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.850 17.230 -1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.885 16.382 -3.426 1.00 0.00 H new ATOM 1334 N CYS A 85 -1.317 17.686 1.363 1.00 0.00 N ATOM 1335 CA CYS A 85 -2.214 18.762 1.660 1.00 0.00 C ATOM 1336 C CYS A 85 -1.702 19.532 2.859 1.00 0.00 C ATOM 1337 O CYS A 85 -0.882 19.023 3.622 1.00 0.00 O ATOM 1338 CB CYS A 85 -3.641 18.246 1.912 1.00 0.00 C ATOM 1339 SG CYS A 85 -4.919 19.402 1.309 1.00 0.00 S ATOM 0 H CYS A 85 -1.284 16.943 2.061 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.256 19.428 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -3.767 17.281 1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.781 18.080 2.980 1.00 0.00 H new ATOM 1344 N ALA A 86 -2.196 20.742 3.042 1.00 0.00 N ATOM 1345 CA ALA A 86 -1.820 21.598 4.168 1.00 0.00 C ATOM 1346 C ALA A 86 -2.694 21.256 5.382 1.00 0.00 C ATOM 1347 O ALA A 86 -2.971 22.095 6.241 1.00 0.00 O ATOM 1348 CB ALA A 86 -1.992 23.058 3.766 1.00 0.00 C ATOM 0 H ALA A 86 -2.876 21.168 2.412 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.777 21.431 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.713 23.701 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.353 23.277 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.033 23.242 3.499 1.00 0.00 H new ATOM 1354 N ALA A 87 -3.067 20.007 5.442 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.911 19.445 6.431 1.00 0.00 C ATOM 1356 C ALA A 87 -3.613 17.965 6.457 1.00 0.00 C ATOM 1357 O ALA A 87 -4.083 17.248 5.558 1.00 0.00 O ATOM 1358 CB ALA A 87 -5.378 19.697 6.084 1.00 0.00 C ATOM 1359 OXT ALA A 87 -2.867 17.504 7.345 1.00 0.00 O ATOM 0 H ALA A 87 -2.764 19.320 4.752 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.732 19.895 7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.014 19.259 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.560 20.770 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.608 19.241 5.121 1.00 0.00 H new TER 1365 ALA A 87 ATOM 1366 N GLY B 99 3.786 -8.933 25.319 1.00 0.00 N ATOM 1367 CA GLY B 99 2.624 -9.745 24.999 1.00 0.00 C ATOM 1368 C GLY B 99 1.985 -9.269 23.735 1.00 0.00 C ATOM 1369 O GLY B 99 1.777 -8.066 23.565 1.00 0.00 O ATOM 0 HA2 GLY B 99 2.920 -10.789 24.893 1.00 0.00 H new ATOM 0 HA3 GLY B 99 1.905 -9.699 25.817 1.00 0.00 H new ATOM 1375 N SER B 100 1.700 -10.177 22.837 1.00 0.00 N ATOM 1376 CA SER B 100 1.068 -9.832 21.603 1.00 0.00 C ATOM 1377 C SER B 100 -0.401 -9.513 21.864 1.00 0.00 C ATOM 1378 O SER B 100 -0.855 -8.384 21.611 1.00 0.00 O ATOM 1379 CB SER B 100 1.251 -10.972 20.593 1.00 0.00 C ATOM 1380 OG SER B 100 0.908 -12.227 21.170 1.00 0.00 O ATOM 0 H SER B 100 1.901 -11.171 22.946 1.00 0.00 H new ATOM 0 HA SER B 100 1.528 -8.943 21.172 1.00 0.00 H new ATOM 0 HB2 SER B 100 0.629 -10.789 19.717 1.00 0.00 H new ATOM 0 HB3 SER B 100 2.286 -10.996 20.251 1.00 0.00 H new ATOM 0 HG SER B 100 1.031 -12.937 20.506 1.00 0.00 H new ATOM 1386 N VAL B 101 -1.113 -10.509 22.414 1.00 0.00 N ATOM 1387 CA VAL B 101 -2.534 -10.455 22.838 1.00 0.00 C ATOM 1388 C VAL B 101 -3.501 -10.223 21.665 1.00 0.00 C ATOM 1389 O VAL B 101 -4.389 -11.029 21.385 1.00 0.00 O ATOM 1390 CB VAL B 101 -2.789 -9.377 23.945 1.00 0.00 C ATOM 1391 CG1 VAL B 101 -4.235 -9.417 24.429 1.00 0.00 C ATOM 1392 CG2 VAL B 101 -1.837 -9.552 25.119 1.00 0.00 C ATOM 0 H VAL B 101 -0.698 -11.424 22.587 1.00 0.00 H new ATOM 0 HA VAL B 101 -2.738 -11.440 23.257 1.00 0.00 H new ATOM 0 HB VAL B 101 -2.602 -8.402 23.496 1.00 0.00 H new ATOM 0 HG11 VAL B 101 -4.383 -8.658 25.197 1.00 0.00 H new ATOM 0 HG12 VAL B 101 -4.905 -9.221 23.592 1.00 0.00 H new ATOM 0 HG13 VAL B 101 -4.452 -10.401 24.845 1.00 0.00 H new ATOM 0 HG21 VAL B 101 -2.041 -8.788 25.869 1.00 0.00 H new ATOM 0 HG22 VAL B 101 -1.979 -10.539 25.558 1.00 0.00 H new ATOM 0 HG23 VAL B 101 -0.809 -9.454 24.771 1.00 0.00 H new ATOM 1402 N GLU B 102 -3.299 -9.152 20.990 1.00 0.00 N ATOM 1403 CA GLU B 102 -4.139 -8.721 19.941 1.00 0.00 C ATOM 1404 C GLU B 102 -3.319 -8.636 18.674 1.00 0.00 C ATOM 1405 O GLU B 102 -2.717 -7.609 18.358 1.00 0.00 O ATOM 1406 CB GLU B 102 -4.767 -7.380 20.313 1.00 0.00 C ATOM 1407 CG GLU B 102 -5.770 -6.853 19.324 1.00 0.00 C ATOM 1408 CD GLU B 102 -6.414 -5.595 19.812 1.00 0.00 C ATOM 1409 OE1 GLU B 102 -7.430 -5.678 20.525 1.00 0.00 O ATOM 1410 OE2 GLU B 102 -5.927 -4.489 19.495 1.00 0.00 O ATOM 0 H GLU B 102 -2.511 -8.528 21.162 1.00 0.00 H new ATOM 0 HA GLU B 102 -4.953 -9.426 19.774 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -5.254 -7.480 21.283 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -3.972 -6.643 20.430 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -5.277 -6.664 18.370 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -6.535 -7.608 19.143 1.00 0.00 H new ATOM 1417 N LYS B 103 -3.199 -9.760 18.026 1.00 0.00 N ATOM 1418 CA LYS B 103 -2.445 -9.853 16.790 1.00 0.00 C ATOM 1419 C LYS B 103 -3.263 -10.613 15.750 1.00 0.00 C ATOM 1420 O LYS B 103 -2.779 -10.920 14.664 1.00 0.00 O ATOM 1421 CB LYS B 103 -1.142 -10.617 17.051 1.00 0.00 C ATOM 1422 CG LYS B 103 0.108 -9.972 16.468 1.00 0.00 C ATOM 1423 CD LYS B 103 0.465 -8.698 17.217 1.00 0.00 C ATOM 1424 CE LYS B 103 1.744 -8.077 16.689 1.00 0.00 C ATOM 1425 NZ LYS B 103 2.180 -6.940 17.524 1.00 0.00 N ATOM 0 H LYS B 103 -3.616 -10.639 18.331 1.00 0.00 H new ATOM 0 HA LYS B 103 -2.224 -8.850 16.424 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -1.010 -10.723 18.128 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.239 -11.622 16.641 1.00 0.00 H new ATOM 0 HG2 LYS B 103 0.941 -10.673 16.519 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -0.053 -9.745 15.414 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -0.352 -7.982 17.127 1.00 0.00 H new ATOM 0 HD3 LYS B 103 0.579 -8.919 18.278 1.00 0.00 H new ATOM 0 HE2 LYS B 103 2.531 -8.831 16.660 1.00 0.00 H new ATOM 0 HE3 LYS B 103 1.589 -7.739 15.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 3.057 -6.539 17.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 1.439 -6.210 17.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 2.351 -7.269 18.496 1.00 0.00 H new ATOM 1439 N LEU B 104 -4.506 -10.908 16.098 1.00 0.00 N ATOM 1440 CA LEU B 104 -5.369 -11.724 15.248 1.00 0.00 C ATOM 1441 C LEU B 104 -6.510 -10.911 14.650 1.00 0.00 C ATOM 1442 O LEU B 104 -7.213 -11.382 13.757 1.00 0.00 O ATOM 1443 CB LEU B 104 -5.938 -12.897 16.054 1.00 0.00 C ATOM 1444 CG LEU B 104 -4.915 -13.862 16.671 1.00 0.00 C ATOM 1445 CD1 LEU B 104 -5.621 -14.917 17.504 1.00 0.00 C ATOM 1446 CD2 LEU B 104 -4.067 -14.523 15.587 1.00 0.00 C ATOM 0 H LEU B 104 -4.943 -10.595 16.965 1.00 0.00 H new ATOM 0 HA LEU B 104 -4.760 -12.100 14.426 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -6.554 -12.493 16.857 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -6.599 -13.470 15.403 1.00 0.00 H new ATOM 0 HG LEU B 104 -4.253 -13.288 17.319 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -4.883 -15.594 17.935 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -6.181 -14.434 18.304 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -6.306 -15.482 16.871 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -3.350 -15.202 16.049 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -4.713 -15.083 14.911 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -3.532 -13.757 15.026 1.00 0.00 H new ATOM 1458 N THR B 105 -6.700 -9.707 15.141 1.00 0.00 N ATOM 1459 CA THR B 105 -7.756 -8.859 14.660 1.00 0.00 C ATOM 1460 C THR B 105 -7.333 -8.203 13.345 1.00 0.00 C ATOM 1461 O THR B 105 -6.136 -8.060 13.096 1.00 0.00 O ATOM 1462 CB THR B 105 -8.116 -7.808 15.729 1.00 0.00 C ATOM 1463 OG1 THR B 105 -6.914 -7.227 16.250 1.00 0.00 O ATOM 1464 CG2 THR B 105 -8.907 -8.440 16.868 1.00 0.00 C ATOM 0 H THR B 105 -6.129 -9.295 15.879 1.00 0.00 H new ATOM 0 HA THR B 105 -8.648 -9.456 14.467 1.00 0.00 H new ATOM 0 HB THR B 105 -8.732 -7.038 15.264 1.00 0.00 H new ATOM 0 HG1 THR B 105 -7.142 -6.557 16.928 1.00 0.00 H new ATOM 0 HG21 THR B 105 -9.149 -7.678 17.609 1.00 0.00 H new ATOM 0 HG22 THR B 105 -9.828 -8.871 16.476 1.00 0.00 H new ATOM 0 HG23 THR B 105 -8.310 -9.224 17.335 1.00 0.00 H new ATOM 1472 N ALA B 106 -8.300 -7.809 12.531 1.00 0.00 N ATOM 1473 CA ALA B 106 -8.055 -7.258 11.192 1.00 0.00 C ATOM 1474 C ALA B 106 -7.060 -6.117 11.195 1.00 0.00 C ATOM 1475 O ALA B 106 -6.035 -6.193 10.538 1.00 0.00 O ATOM 1476 CB ALA B 106 -9.360 -6.836 10.536 1.00 0.00 C ATOM 0 H ALA B 106 -9.289 -7.860 12.776 1.00 0.00 H new ATOM 0 HA ALA B 106 -7.606 -8.058 10.604 1.00 0.00 H new ATOM 0 HB1 ALA B 106 -9.155 -6.431 9.545 1.00 0.00 H new ATOM 0 HB2 ALA B 106 -10.018 -7.700 10.445 1.00 0.00 H new ATOM 0 HB3 ALA B 106 -9.844 -6.074 11.146 1.00 0.00 H new ATOM 1482 N ASP B 107 -7.325 -5.097 11.977 1.00 0.00 N ATOM 1483 CA ASP B 107 -6.463 -3.922 12.021 1.00 0.00 C ATOM 1484 C ASP B 107 -5.099 -4.213 12.638 1.00 0.00 C ATOM 1485 O ASP B 107 -4.135 -3.493 12.394 1.00 0.00 O ATOM 1486 CB ASP B 107 -7.150 -2.737 12.703 1.00 0.00 C ATOM 1487 CG ASP B 107 -8.178 -2.052 11.816 1.00 0.00 C ATOM 1488 OD1 ASP B 107 -7.796 -1.178 10.996 1.00 0.00 O ATOM 1489 OD2 ASP B 107 -9.389 -2.372 11.909 1.00 0.00 O ATOM 0 H ASP B 107 -8.133 -5.050 12.597 1.00 0.00 H new ATOM 0 HA ASP B 107 -6.279 -3.641 10.984 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -7.638 -3.083 13.614 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -6.395 -2.010 13.002 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.007 -5.290 13.394 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.745 -5.680 13.992 1.00 0.00 C ATOM 1496 C ALA B 108 -2.947 -6.521 13.004 1.00 0.00 C ATOM 1497 O ALA B 108 -1.720 -6.408 12.926 1.00 0.00 O ATOM 1498 CB ALA B 108 -3.963 -6.439 15.287 1.00 0.00 C ATOM 0 H ALA B 108 -5.789 -5.909 13.608 1.00 0.00 H new ATOM 0 HA ALA B 108 -3.181 -4.778 14.231 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -2.999 -6.718 15.712 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.501 -5.807 15.993 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.546 -7.338 15.088 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.655 -7.344 12.240 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.062 -8.184 11.216 1.00 0.00 C ATOM 1506 C GLU B 109 -2.462 -7.288 10.148 1.00 0.00 C ATOM 1507 O GLU B 109 -1.302 -7.433 9.782 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.140 -9.109 10.625 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.644 -10.092 9.576 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.720 -11.067 9.158 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -4.903 -12.087 9.857 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -5.417 -10.833 8.147 1.00 0.00 O ATOM 0 H GLU B 109 -4.667 -7.445 12.318 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.275 -8.810 11.637 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.600 -9.671 11.438 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -4.922 -8.493 10.182 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.293 -9.543 8.702 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -2.790 -10.642 9.970 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.261 -6.336 9.715 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.936 -5.320 8.781 1.00 0.00 C ATOM 1521 C LEU B 110 -1.677 -4.559 9.219 1.00 0.00 C ATOM 1522 O LEU B 110 -0.752 -4.362 8.433 1.00 0.00 O ATOM 1523 CB LEU B 110 -4.209 -4.506 8.806 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.428 -3.261 8.077 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -3.924 -2.065 8.842 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -3.955 -3.335 6.636 1.00 0.00 C ATOM 0 H LEU B 110 -4.224 -6.261 10.042 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.673 -5.652 7.777 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -5.001 -5.182 8.485 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -4.393 -4.273 9.855 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.505 -3.115 7.998 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -4.107 -1.160 8.263 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -4.446 -1.997 9.797 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -2.854 -2.172 9.020 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -4.143 -2.382 6.142 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -2.887 -3.551 6.614 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -4.496 -4.126 6.116 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.638 -4.208 10.476 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.510 -3.504 11.059 1.00 0.00 C ATOM 1540 C GLN B 111 0.760 -4.385 11.056 1.00 0.00 C ATOM 1541 O GLN B 111 1.828 -3.946 10.649 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.884 -3.080 12.471 1.00 0.00 C ATOM 1543 CG GLN B 111 0.180 -2.320 13.227 1.00 0.00 C ATOM 1544 CD GLN B 111 -0.261 -1.973 14.634 1.00 0.00 C ATOM 1545 OE1 GLN B 111 0.559 -1.894 15.549 1.00 0.00 O ATOM 1546 NE2 GLN B 111 -1.542 -1.769 14.829 1.00 0.00 N ATOM 0 H GLN B 111 -2.391 -4.401 11.136 1.00 0.00 H new ATOM 0 HA GLN B 111 -0.281 -2.621 10.462 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.780 -2.462 12.420 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -1.144 -3.971 13.042 1.00 0.00 H new ATOM 0 HG2 GLN B 111 1.091 -2.917 13.270 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.424 -1.405 12.688 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -2.195 -1.842 14.049 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -1.885 -1.537 15.761 1.00 0.00 H new ATOM 1555 N ARG B 112 0.610 -5.619 11.489 1.00 0.00 N ATOM 1556 CA ARG B 112 1.701 -6.617 11.542 1.00 0.00 C ATOM 1557 C ARG B 112 2.257 -6.868 10.146 1.00 0.00 C ATOM 1558 O ARG B 112 3.459 -6.893 9.938 1.00 0.00 O ATOM 1559 CB ARG B 112 1.109 -7.900 12.077 1.00 0.00 C ATOM 1560 CG ARG B 112 2.063 -9.058 12.234 1.00 0.00 C ATOM 1561 CD ARG B 112 1.284 -10.278 12.648 1.00 0.00 C ATOM 1562 NE ARG B 112 2.088 -11.498 12.678 1.00 0.00 N ATOM 1563 CZ ARG B 112 1.592 -12.734 12.856 1.00 0.00 C ATOM 1564 NH1 ARG B 112 0.276 -12.915 13.053 1.00 0.00 N ATOM 1565 NH2 ARG B 112 2.407 -13.784 12.818 1.00 0.00 N ATOM 0 H ARG B 112 -0.283 -5.981 11.824 1.00 0.00 H new ATOM 0 HA ARG B 112 2.511 -6.257 12.176 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.660 -7.692 13.048 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.302 -8.208 11.412 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.586 -9.245 11.296 1.00 0.00 H new ATOM 0 HG3 ARG B 112 2.821 -8.823 12.981 1.00 0.00 H new ATOM 0 HD2 ARG B 112 0.857 -10.109 13.636 1.00 0.00 H new ATOM 0 HD3 ARG B 112 0.450 -10.418 11.960 1.00 0.00 H new ATOM 0 HE ARG B 112 3.096 -11.405 12.555 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -0.353 -12.112 13.068 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -0.095 -13.856 13.188 1.00 0.00 H new ATOM 0 HH21 ARG B 112 3.405 -13.649 12.654 1.00 0.00 H new ATOM 0 HH22 ARG B 112 2.034 -14.724 12.953 1.00 0.00 H new ATOM 1579 N LEU B 113 1.365 -7.057 9.217 1.00 0.00 N ATOM 1580 CA LEU B 113 1.710 -7.275 7.816 1.00 0.00 C ATOM 1581 C LEU B 113 2.470 -6.077 7.238 1.00 0.00 C ATOM 1582 O LEU B 113 3.404 -6.233 6.436 1.00 0.00 O ATOM 1583 CB LEU B 113 0.443 -7.539 7.003 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.306 -8.844 7.273 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.590 -8.887 6.460 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.564 -10.037 6.933 1.00 0.00 C ATOM 0 H LEU B 113 0.361 -7.067 9.399 1.00 0.00 H new ATOM 0 HA LEU B 113 2.363 -8.146 7.758 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.247 -6.713 7.176 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.710 -7.516 5.946 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.555 -8.887 8.333 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.116 -9.821 6.660 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.225 -8.046 6.738 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.351 -8.825 5.398 1.00 0.00 H new ATOM 0 HD21 LEU B 113 0.014 -10.957 7.132 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.838 -9.999 5.879 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.467 -10.015 7.544 1.00 0.00 H new ATOM 1598 N LYS B 114 2.066 -4.898 7.640 1.00 0.00 N ATOM 1599 CA LYS B 114 2.724 -3.668 7.248 1.00 0.00 C ATOM 1600 C LYS B 114 4.116 -3.657 7.804 1.00 0.00 C ATOM 1601 O LYS B 114 5.086 -3.375 7.100 1.00 0.00 O ATOM 1602 CB LYS B 114 1.954 -2.520 7.828 1.00 0.00 C ATOM 1603 CG LYS B 114 2.496 -1.132 7.524 1.00 0.00 C ATOM 1604 CD LYS B 114 1.654 -0.071 8.191 1.00 0.00 C ATOM 1605 CE LYS B 114 1.855 -0.031 9.691 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.009 0.989 10.328 1.00 0.00 N ATOM 0 H LYS B 114 1.264 -4.759 8.255 1.00 0.00 H new ATOM 0 HA LYS B 114 2.765 -3.588 6.162 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.928 -2.576 7.464 1.00 0.00 H new ATOM 0 HB3 LYS B 114 1.915 -2.644 8.910 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.527 -1.055 7.870 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.508 -0.969 6.446 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.900 0.903 7.768 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.602 -0.256 7.973 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.627 -1.009 10.115 1.00 0.00 H new ATOM 0 HE3 LYS B 114 2.902 0.175 9.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.475 1.338 11.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 0.863 1.780 9.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 0.089 0.572 10.576 1.00 0.00 H new ATOM 1620 N ASN B 115 4.188 -3.979 9.065 1.00 0.00 N ATOM 1621 CA ASN B 115 5.417 -4.064 9.825 1.00 0.00 C ATOM 1622 C ASN B 115 6.379 -5.078 9.208 1.00 0.00 C ATOM 1623 O ASN B 115 7.581 -4.844 9.146 1.00 0.00 O ATOM 1624 CB ASN B 115 5.071 -4.361 11.295 1.00 0.00 C ATOM 1625 CG ASN B 115 4.596 -3.112 12.029 1.00 0.00 C ATOM 1626 OD1 ASN B 115 4.993 -1.995 11.701 1.00 0.00 O ATOM 1627 ND2 ASN B 115 3.751 -3.274 13.015 1.00 0.00 N ATOM 0 H ASN B 115 3.361 -4.200 9.620 1.00 0.00 H new ATOM 0 HA ASN B 115 5.947 -3.112 9.794 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.295 -5.125 11.338 1.00 0.00 H new ATOM 0 HB3 ASN B 115 5.947 -4.768 11.800 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.407 -2.464 13.530 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.436 -4.211 13.268 1.00 0.00 H new ATOM 1634 N GLU B 116 5.824 -6.154 8.678 1.00 0.00 N ATOM 1635 CA GLU B 116 6.562 -7.173 7.930 1.00 0.00 C ATOM 1636 C GLU B 116 7.277 -6.512 6.770 1.00 0.00 C ATOM 1637 O GLU B 116 8.497 -6.572 6.655 1.00 0.00 O ATOM 1638 CB GLU B 116 5.565 -8.205 7.395 1.00 0.00 C ATOM 1639 CG GLU B 116 6.144 -9.230 6.444 1.00 0.00 C ATOM 1640 CD GLU B 116 5.089 -10.153 5.880 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.431 -10.854 6.655 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.875 -10.161 4.637 1.00 0.00 O ATOM 0 H GLU B 116 4.827 -6.354 8.754 1.00 0.00 H new ATOM 0 HA GLU B 116 7.291 -7.663 8.575 1.00 0.00 H new ATOM 0 HB2 GLU B 116 5.120 -8.729 8.241 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.758 -7.677 6.887 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.650 -8.718 5.626 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.898 -9.820 6.965 1.00 0.00 H new ATOM 1649 N ARG B 117 6.498 -5.887 5.929 1.00 0.00 N ATOM 1650 CA ARG B 117 6.988 -5.113 4.805 1.00 0.00 C ATOM 1651 C ARG B 117 7.875 -3.958 5.194 1.00 0.00 C ATOM 1652 O ARG B 117 8.622 -3.461 4.375 1.00 0.00 O ATOM 1653 CB ARG B 117 5.859 -4.640 3.954 1.00 0.00 C ATOM 1654 CG ARG B 117 5.304 -5.736 3.134 1.00 0.00 C ATOM 1655 CD ARG B 117 4.074 -5.316 2.376 1.00 0.00 C ATOM 1656 NE ARG B 117 2.892 -5.531 3.188 1.00 0.00 N ATOM 1657 CZ ARG B 117 2.350 -6.743 3.368 1.00 0.00 C ATOM 1658 NH1 ARG B 117 2.876 -7.821 2.783 1.00 0.00 N ATOM 1659 NH2 ARG B 117 1.315 -6.878 4.126 1.00 0.00 N ATOM 0 H ARG B 117 5.481 -5.898 6.002 1.00 0.00 H new ATOM 0 HA ARG B 117 7.616 -5.795 4.232 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.075 -4.224 4.586 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.204 -3.836 3.304 1.00 0.00 H new ATOM 0 HG2 ARG B 117 6.062 -6.080 2.430 1.00 0.00 H new ATOM 0 HG3 ARG B 117 5.060 -6.581 3.778 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.149 -4.264 2.100 1.00 0.00 H new ATOM 0 HD3 ARG B 117 3.997 -5.884 1.449 1.00 0.00 H new ATOM 0 HE ARG B 117 2.456 -4.727 3.640 1.00 0.00 H new ATOM 0 HH11 ARG B 117 3.701 -7.728 2.190 1.00 0.00 H new ATOM 0 HH12 ARG B 117 2.453 -8.738 2.929 1.00 0.00 H new ATOM 0 HH21 ARG B 117 0.911 -6.063 4.587 1.00 0.00 H new ATOM 0 HH22 ARG B 117 0.901 -7.800 4.264 1.00 0.00 H new ATOM 1673 N HIS B 118 7.783 -3.528 6.412 1.00 0.00 N ATOM 1674 CA HIS B 118 8.632 -2.485 6.902 1.00 0.00 C ATOM 1675 C HIS B 118 9.970 -3.037 7.278 1.00 0.00 C ATOM 1676 O HIS B 118 10.983 -2.396 7.066 1.00 0.00 O ATOM 1677 CB HIS B 118 7.945 -1.663 7.983 1.00 0.00 C ATOM 1678 CG HIS B 118 7.064 -0.621 7.371 1.00 0.00 C ATOM 1679 ND1 HIS B 118 6.082 -0.938 6.467 1.00 0.00 N ATOM 1680 CD2 HIS B 118 7.108 0.727 7.397 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.593 0.150 5.957 1.00 0.00 C ATOM 1682 NE2 HIS B 118 6.198 1.165 6.502 1.00 0.00 N ATOM 0 H HIS B 118 7.118 -3.889 7.096 1.00 0.00 H new ATOM 0 HA HIS B 118 8.825 -1.767 6.105 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.353 -2.317 8.624 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.693 -1.188 8.617 1.00 0.00 H new ATOM 0 HD1 HIS B 118 5.782 -1.884 6.232 1.00 0.00 H new ATOM 0 HD2 HIS B 118 7.749 1.338 8.015 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.817 0.204 5.208 1.00 0.00 H new ATOM 1691 N GLU B 119 9.981 -4.248 7.794 1.00 0.00 N ATOM 1692 CA GLU B 119 11.217 -4.971 7.963 1.00 0.00 C ATOM 1693 C GLU B 119 11.834 -5.240 6.597 1.00 0.00 C ATOM 1694 O GLU B 119 13.020 -5.037 6.396 1.00 0.00 O ATOM 1695 CB GLU B 119 11.011 -6.264 8.737 1.00 0.00 C ATOM 1696 CG GLU B 119 11.275 -6.115 10.220 1.00 0.00 C ATOM 1697 CD GLU B 119 10.350 -5.155 10.930 1.00 0.00 C ATOM 1698 OE1 GLU B 119 10.614 -3.925 10.936 1.00 0.00 O ATOM 1699 OE2 GLU B 119 9.366 -5.618 11.543 1.00 0.00 O ATOM 0 H GLU B 119 9.148 -4.749 8.102 1.00 0.00 H new ATOM 0 HA GLU B 119 11.901 -4.359 8.551 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.988 -6.610 8.589 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.670 -7.032 8.332 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.192 -7.095 10.691 1.00 0.00 H new ATOM 0 HG3 GLU B 119 12.303 -5.780 10.361 1.00 0.00 H new ATOM 1706 N GLU B 120 10.987 -5.637 5.651 1.00 0.00 N ATOM 1707 CA GLU B 120 11.370 -5.852 4.241 1.00 0.00 C ATOM 1708 C GLU B 120 11.984 -4.588 3.646 1.00 0.00 C ATOM 1709 O GLU B 120 12.908 -4.661 2.861 1.00 0.00 O ATOM 1710 CB GLU B 120 10.135 -6.200 3.421 1.00 0.00 C ATOM 1711 CG GLU B 120 9.486 -7.524 3.746 1.00 0.00 C ATOM 1712 CD GLU B 120 10.244 -8.687 3.186 1.00 0.00 C ATOM 1713 OE1 GLU B 120 11.188 -9.180 3.820 1.00 0.00 O ATOM 1714 OE2 GLU B 120 9.878 -9.135 2.091 1.00 0.00 O ATOM 0 H GLU B 120 10.001 -5.823 5.835 1.00 0.00 H new ATOM 0 HA GLU B 120 12.097 -6.663 4.212 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.396 -5.411 3.558 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.410 -6.200 2.366 1.00 0.00 H new ATOM 0 HG2 GLU B 120 9.409 -7.631 4.828 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.470 -7.533 3.352 1.00 0.00 H new ATOM 1721 N ALA B 121 11.440 -3.445 4.014 1.00 0.00 N ATOM 1722 CA ALA B 121 11.933 -2.155 3.550 1.00 0.00 C ATOM 1723 C ALA B 121 13.337 -1.906 4.062 1.00 0.00 C ATOM 1724 O ALA B 121 14.204 -1.447 3.324 1.00 0.00 O ATOM 1725 CB ALA B 121 11.000 -1.038 3.976 1.00 0.00 C ATOM 0 H ALA B 121 10.641 -3.380 4.645 1.00 0.00 H new ATOM 0 HA ALA B 121 11.964 -2.173 2.461 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.388 -0.084 3.619 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.010 -1.209 3.552 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.930 -1.017 5.064 1.00 0.00 H new ATOM 1731 N GLU B 122 13.566 -2.243 5.322 1.00 0.00 N ATOM 1732 CA GLU B 122 14.875 -2.120 5.929 1.00 0.00 C ATOM 1733 C GLU B 122 15.832 -3.057 5.194 1.00 0.00 C ATOM 1734 O GLU B 122 16.932 -2.682 4.803 1.00 0.00 O ATOM 1735 CB GLU B 122 14.817 -2.536 7.399 1.00 0.00 C ATOM 1736 CG GLU B 122 13.749 -1.853 8.244 1.00 0.00 C ATOM 1737 CD GLU B 122 13.833 -0.355 8.244 1.00 0.00 C ATOM 1738 OE1 GLU B 122 14.658 0.209 8.985 1.00 0.00 O ATOM 1739 OE2 GLU B 122 13.080 0.303 7.499 1.00 0.00 O ATOM 0 H GLU B 122 12.849 -2.608 5.948 1.00 0.00 H new ATOM 0 HA GLU B 122 15.211 -1.085 5.864 1.00 0.00 H new ATOM 0 HB2 GLU B 122 14.655 -3.613 7.445 1.00 0.00 H new ATOM 0 HB3 GLU B 122 15.790 -2.340 7.850 1.00 0.00 H new ATOM 0 HG2 GLU B 122 12.766 -2.151 7.879 1.00 0.00 H new ATOM 0 HG3 GLU B 122 13.829 -2.211 9.270 1.00 0.00 H new ATOM 1746 N LEU B 123 15.358 -4.260 4.987 1.00 0.00 N ATOM 1747 CA LEU B 123 16.071 -5.318 4.296 1.00 0.00 C ATOM 1748 C LEU B 123 16.395 -4.948 2.844 1.00 0.00 C ATOM 1749 O LEU B 123 17.460 -5.304 2.321 1.00 0.00 O ATOM 1750 CB LEU B 123 15.235 -6.595 4.381 1.00 0.00 C ATOM 1751 CG LEU B 123 15.121 -7.213 5.782 1.00 0.00 C ATOM 1752 CD1 LEU B 123 14.150 -8.376 5.789 1.00 0.00 C ATOM 1753 CD2 LEU B 123 16.486 -7.655 6.285 1.00 0.00 C ATOM 0 H LEU B 123 14.432 -4.545 5.305 1.00 0.00 H new ATOM 0 HA LEU B 123 17.035 -5.476 4.780 1.00 0.00 H new ATOM 0 HB2 LEU B 123 14.232 -6.378 4.015 1.00 0.00 H new ATOM 0 HB3 LEU B 123 15.666 -7.337 3.709 1.00 0.00 H new ATOM 0 HG LEU B 123 14.735 -6.448 6.455 1.00 0.00 H new ATOM 0 HD11 LEU B 123 14.090 -8.794 6.794 1.00 0.00 H new ATOM 0 HD12 LEU B 123 13.164 -8.029 5.481 1.00 0.00 H new ATOM 0 HD13 LEU B 123 14.497 -9.144 5.097 1.00 0.00 H new ATOM 0 HD21 LEU B 123 16.384 -8.090 7.279 1.00 0.00 H new ATOM 0 HD22 LEU B 123 16.901 -8.398 5.604 1.00 0.00 H new ATOM 0 HD23 LEU B 123 17.153 -6.794 6.333 1.00 0.00 H new ATOM 1765 N GLU B 124 15.486 -4.259 2.206 1.00 0.00 N ATOM 1766 CA GLU B 124 15.683 -3.764 0.862 1.00 0.00 C ATOM 1767 C GLU B 124 16.707 -2.644 0.871 1.00 0.00 C ATOM 1768 O GLU B 124 17.593 -2.597 0.023 1.00 0.00 O ATOM 1769 CB GLU B 124 14.372 -3.259 0.269 1.00 0.00 C ATOM 1770 CG GLU B 124 14.517 -2.677 -1.126 1.00 0.00 C ATOM 1771 CD GLU B 124 13.226 -2.154 -1.665 1.00 0.00 C ATOM 1772 OE1 GLU B 124 12.910 -0.969 -1.440 1.00 0.00 O ATOM 1773 OE2 GLU B 124 12.503 -2.902 -2.330 1.00 0.00 O ATOM 0 H GLU B 124 14.578 -4.021 2.605 1.00 0.00 H new ATOM 0 HA GLU B 124 16.046 -4.585 0.244 1.00 0.00 H new ATOM 0 HB2 GLU B 124 13.657 -4.081 0.237 1.00 0.00 H new ATOM 0 HB3 GLU B 124 13.954 -2.499 0.929 1.00 0.00 H new ATOM 0 HG2 GLU B 124 15.251 -1.872 -1.106 1.00 0.00 H new ATOM 0 HG3 GLU B 124 14.903 -3.444 -1.798 1.00 0.00 H new ATOM 1780 N ARG B 125 16.587 -1.766 1.846 1.00 0.00 N ATOM 1781 CA ARG B 125 17.487 -0.631 2.005 1.00 0.00 C ATOM 1782 C ARG B 125 18.916 -1.106 2.195 1.00 0.00 C ATOM 1783 O ARG B 125 19.843 -0.576 1.580 1.00 0.00 O ATOM 1784 CB ARG B 125 17.042 0.221 3.187 1.00 0.00 C ATOM 1785 CG ARG B 125 17.883 1.459 3.446 1.00 0.00 C ATOM 1786 CD ARG B 125 17.322 2.248 4.609 1.00 0.00 C ATOM 1787 NE ARG B 125 15.939 2.679 4.350 1.00 0.00 N ATOM 1788 CZ ARG B 125 14.856 2.244 5.003 1.00 0.00 C ATOM 1789 NH1 ARG B 125 14.972 1.309 5.921 1.00 0.00 N ATOM 1790 NH2 ARG B 125 13.667 2.745 4.722 1.00 0.00 N ATOM 0 H ARG B 125 15.858 -1.816 2.558 1.00 0.00 H new ATOM 0 HA ARG B 125 17.451 -0.023 1.101 1.00 0.00 H new ATOM 0 HB2 ARG B 125 16.010 0.531 3.023 1.00 0.00 H new ATOM 0 HB3 ARG B 125 17.050 -0.398 4.084 1.00 0.00 H new ATOM 0 HG2 ARG B 125 18.912 1.169 3.659 1.00 0.00 H new ATOM 0 HG3 ARG B 125 17.906 2.083 2.553 1.00 0.00 H new ATOM 0 HD2 ARG B 125 17.351 1.638 5.512 1.00 0.00 H new ATOM 0 HD3 ARG B 125 17.948 3.121 4.794 1.00 0.00 H new ATOM 0 HE ARG B 125 15.794 3.367 3.611 1.00 0.00 H new ATOM 0 HH11 ARG B 125 15.888 0.915 6.135 1.00 0.00 H new ATOM 0 HH12 ARG B 125 14.146 0.978 6.419 1.00 0.00 H new ATOM 0 HH21 ARG B 125 13.573 3.465 4.006 1.00 0.00 H new ATOM 0 HH22 ARG B 125 12.842 2.412 5.221 1.00 0.00 H new ATOM 1804 N LEU B 126 19.067 -2.133 3.012 1.00 0.00 N ATOM 1805 CA LEU B 126 20.356 -2.749 3.282 1.00 0.00 C ATOM 1806 C LEU B 126 20.917 -3.393 2.010 1.00 0.00 C ATOM 1807 O LEU B 126 22.117 -3.467 1.814 1.00 0.00 O ATOM 1808 CB LEU B 126 20.191 -3.805 4.387 1.00 0.00 C ATOM 1809 CG LEU B 126 21.448 -4.573 4.811 1.00 0.00 C ATOM 1810 CD1 LEU B 126 22.510 -3.628 5.358 1.00 0.00 C ATOM 1811 CD2 LEU B 126 21.091 -5.634 5.840 1.00 0.00 C ATOM 0 H LEU B 126 18.292 -2.568 3.512 1.00 0.00 H new ATOM 0 HA LEU B 126 21.058 -1.984 3.614 1.00 0.00 H new ATOM 0 HB2 LEU B 126 19.783 -3.311 5.269 1.00 0.00 H new ATOM 0 HB3 LEU B 126 19.448 -4.530 4.054 1.00 0.00 H new ATOM 0 HG LEU B 126 21.863 -5.064 3.931 1.00 0.00 H new ATOM 0 HD11 LEU B 126 23.390 -4.200 5.651 1.00 0.00 H new ATOM 0 HD12 LEU B 126 22.786 -2.906 4.589 1.00 0.00 H new ATOM 0 HD13 LEU B 126 22.115 -3.100 6.226 1.00 0.00 H new ATOM 0 HD21 LEU B 126 21.991 -6.173 6.134 1.00 0.00 H new ATOM 0 HD22 LEU B 126 20.651 -5.158 6.716 1.00 0.00 H new ATOM 0 HD23 LEU B 126 20.374 -6.333 5.409 1.00 0.00 H new ATOM 1823 N LYS B 127 20.033 -3.837 1.148 1.00 0.00 N ATOM 1824 CA LYS B 127 20.420 -4.483 -0.084 1.00 0.00 C ATOM 1825 C LYS B 127 20.735 -3.446 -1.172 1.00 0.00 C ATOM 1826 O LYS B 127 21.464 -3.719 -2.125 1.00 0.00 O ATOM 1827 CB LYS B 127 19.317 -5.441 -0.532 1.00 0.00 C ATOM 1828 CG LYS B 127 19.657 -6.273 -1.751 1.00 0.00 C ATOM 1829 CD LYS B 127 18.555 -7.256 -2.044 1.00 0.00 C ATOM 1830 CE LYS B 127 18.909 -8.152 -3.207 1.00 0.00 C ATOM 1831 NZ LYS B 127 17.910 -9.217 -3.388 1.00 0.00 N ATOM 0 H LYS B 127 19.025 -3.761 1.281 1.00 0.00 H new ATOM 0 HA LYS B 127 21.330 -5.058 0.088 1.00 0.00 H new ATOM 0 HB2 LYS B 127 19.080 -6.112 0.294 1.00 0.00 H new ATOM 0 HB3 LYS B 127 18.417 -4.864 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS B 127 19.810 -5.622 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS B 127 20.593 -6.806 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS B 127 18.363 -7.864 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS B 127 17.634 -6.717 -2.266 1.00 0.00 H new ATOM 0 HE2 LYS B 127 18.979 -7.558 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS B 127 19.890 -8.596 -3.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 18.182 -9.815 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 17.862 -9.798 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 16.979 -8.792 -3.571 1.00 0.00 H new ATOM 1845 N SER B 128 20.236 -2.246 -0.982 1.00 0.00 N ATOM 1846 CA SER B 128 20.418 -1.153 -1.922 1.00 0.00 C ATOM 1847 C SER B 128 21.741 -0.416 -1.634 1.00 0.00 C ATOM 1848 O SER B 128 21.859 0.788 -1.847 1.00 0.00 O ATOM 1849 CB SER B 128 19.229 -0.192 -1.813 1.00 0.00 C ATOM 1850 OG SER B 128 17.990 -0.871 -2.060 1.00 0.00 O ATOM 0 H SER B 128 19.685 -1.994 -0.162 1.00 0.00 H new ATOM 0 HA SER B 128 20.466 -1.549 -2.937 1.00 0.00 H new ATOM 0 HB2 SER B 128 19.210 0.256 -0.819 1.00 0.00 H new ATOM 0 HB3 SER B 128 19.349 0.622 -2.527 1.00 0.00 H new ATOM 0 HG SER B 128 17.773 -1.444 -1.295 1.00 0.00 H new ATOM 1856 N GLU B 129 22.728 -1.162 -1.194 1.00 0.00 N ATOM 1857 CA GLU B 129 24.028 -0.633 -0.899 1.00 0.00 C ATOM 1858 C GLU B 129 24.752 -0.304 -2.198 1.00 0.00 C ATOM 1859 O GLU B 129 24.563 -0.981 -3.218 1.00 0.00 O ATOM 1860 CB GLU B 129 24.839 -1.638 -0.052 1.00 0.00 C ATOM 1861 CG GLU B 129 24.967 -3.029 -0.672 1.00 0.00 C ATOM 1862 CD GLU B 129 25.852 -3.950 0.129 1.00 0.00 C ATOM 1863 OE1 GLU B 129 25.387 -4.560 1.102 1.00 0.00 O ATOM 1864 OE2 GLU B 129 27.037 -4.085 -0.201 1.00 0.00 O ATOM 0 H GLU B 129 22.644 -2.165 -1.031 1.00 0.00 H new ATOM 0 HA GLU B 129 23.921 0.283 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU B 129 25.838 -1.233 0.112 1.00 0.00 H new ATOM 0 HB3 GLU B 129 24.369 -1.732 0.927 1.00 0.00 H new ATOM 0 HG2 GLU B 129 23.976 -3.474 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU B 129 25.368 -2.936 -1.681 1.00 0.00 H new ATOM 1871 N TYR B 130 25.534 0.729 -2.174 1.00 0.00 N ATOM 1872 CA TYR B 130 26.288 1.122 -3.324 1.00 0.00 C ATOM 1873 C TYR B 130 27.743 1.125 -2.942 1.00 0.00 C ATOM 1874 O TYR B 130 28.398 0.093 -3.111 1.00 0.00 O ATOM 1875 CB TYR B 130 25.846 2.502 -3.861 1.00 0.00 C ATOM 1876 CG TYR B 130 26.536 2.916 -5.156 1.00 0.00 C ATOM 1877 CD1 TYR B 130 26.035 2.509 -6.381 1.00 0.00 C ATOM 1878 CD2 TYR B 130 27.688 3.697 -5.151 1.00 0.00 C ATOM 1879 CE1 TYR B 130 26.652 2.865 -7.564 1.00 0.00 C ATOM 1880 CE2 TYR B 130 28.312 4.055 -6.328 1.00 0.00 C ATOM 1881 CZ TYR B 130 27.790 3.636 -7.531 1.00 0.00 C ATOM 1882 OH TYR B 130 28.418 3.989 -8.715 1.00 0.00 O ATOM 1883 OXT TYR B 130 28.240 2.142 -2.420 1.00 0.00 O ATOM 0 H TYR B 130 25.668 1.324 -1.357 1.00 0.00 H new ATOM 0 HA TYR B 130 26.112 0.415 -4.134 1.00 0.00 H new ATOM 0 HB2 TYR B 130 24.768 2.488 -4.024 1.00 0.00 H new ATOM 0 HB3 TYR B 130 26.043 3.256 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR B 130 25.143 1.901 -6.412 1.00 0.00 H new ATOM 0 HD2 TYR B 130 28.100 4.028 -4.209 1.00 0.00 H new ATOM 0 HE1 TYR B 130 26.243 2.540 -8.509 1.00 0.00 H new ATOM 0 HE2 TYR B 130 29.206 4.661 -6.306 1.00 0.00 H new ATOM 0 HH TYR B 130 29.207 4.535 -8.517 1.00 0.00 H new TER 1893 TYR B 130