USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 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 110 THR OG1 : rot -47:sc= -0.745! USER MOD Set 1.2: A 139 TYR OH : rot 68:sc= 0.189 USER MOD Set 2.1: A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 130 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 81 MET CE :methyl 148:sc= -0.638 (180deg=-3.41!) USER MOD Set 3.2: A 83 THR OG1 : rot -38:sc= 0.744 USER MOD Set 3.3: A 113 SER OG : rot -61:sc= -0.127 USER MOD Set 3.4: A 116 HIS : no HE2:sc= -0.087 K(o=-1,f=-8.2!) USER MOD Set 3.5: A 119 LYS NZ :NH3+ -135:sc= -0.933 (180deg=0) USER MOD Set 4.1: A 109 ASN : amide:sc= 1.66 K(o=1.9,f=-0.48) USER MOD Set 4.2: A 111 TYR OH : rot 31:sc= 0.219 USER MOD Set 5.1: A 88 TYR OH : rot -1:sc= 1.23 USER MOD Set 5.2: A 90 SER OG : rot 180:sc= 0.413 USER MOD Set 5.3: A 92 THR OG1 : rot 13:sc= 0.318 USER MOD Set 6.1: A 77 GLN : amide:sc= 0.0822 K(o=-0.18,f=-2.7!) USER MOD Set 6.2: A 91 GLN : amide:sc= -0.262 K(o=-0.18,f=-2.7) USER MOD Set 7.1: A 73 THR OG1 : rot -145:sc= 2.27 USER MOD Set 7.2: A 153 SER OG : rot 88:sc= 1.34 USER MOD Set 8.1: A 72 SER OG : rot 130:sc= 0.614 USER MOD Set 8.2: A 75 THR OG1 : rot -155:sc= 0.0893 USER MOD Set 9.1: A 59 GLN : amide:sc= 0.439 K(o=0.85,f=-2.9!) USER MOD Set 9.2: A 152 SER OG : rot 180:sc= 0.411 USER MOD Set10.1: A 52 SER OG : rot -106:sc= 1.18 USER MOD Set10.2: A 55 HIS : no HD1:sc= -4.67! C(o=-3.5!,f=-5.6!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -72:sc= -2.63 USER MOD Single : A 31 SER OG : rot -128:sc= 0.261 USER MOD Single : A 32 ASN : amide:sc= -9.65! C(o=-9.7!,f=-11!) USER MOD Single : A 35 HIS : no HE2:sc= -3.38! K(o=-3.4!,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00466 USER MOD Single : A 54 GLN : amide:sc= 0.851 K(o=0.85,f=-0.044) USER MOD Single : A 57 GLN : amide:sc= -0.886 K(o=-0.89,f=-8.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.423 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.65 K(o=-0.65,f=-5.9!) USER MOD Single : A 97 CYS SG : rot 172:sc= -4.69! USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -174:sc= -0.132 (180deg=-0.221) USER MOD Single : A 115 LYS NZ :NH3+ -151:sc=-0.00282 (180deg=-0.136) USER MOD Single : A 120 ASN : amide:sc= -0.918 K(o=-0.92,f=-0.052) USER MOD Single : A 127 LYS NZ :NH3+ 171:sc= 0.0954 (180deg=0.0525) USER MOD Single : A 128 ASN : amide:sc= -0.067 X(o=-0.067,f=-0.15) USER MOD Single : A 131 CYS SG : rot 131:sc= -2.73 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 124:sc= 0.317 USER MOD Single : A 138 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.013) USER MOD Single : A 141 GLN : amide:sc= -0.573 K(o=-0.57,f=-0.037) USER MOD Single : A 142 LYS NZ :NH3+ -160:sc= -0.0383 (180deg=-0.461) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 28 -4.003 6.897 0.299 1.00 0.00 N ATOM 2 CA LEU A 28 -3.883 6.852 1.776 1.00 0.00 C ATOM 3 C LEU A 28 -4.941 6.038 2.537 1.00 0.00 C ATOM 4 O LEU A 28 -4.619 5.280 3.456 1.00 0.00 O ATOM 5 CB LEU A 28 -3.895 8.262 2.360 1.00 0.00 C ATOM 6 CG LEU A 28 -2.524 8.946 2.315 1.00 0.00 C ATOM 7 CD1 LEU A 28 -2.702 10.423 2.654 1.00 0.00 C ATOM 8 CD2 LEU A 28 -1.550 8.296 3.305 1.00 0.00 C ATOM 0 HA LEU A 28 -2.935 6.334 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.615 8.869 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.238 8.217 3.394 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.105 8.837 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.733 10.922 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.370 10.885 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.130 10.518 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.586 8.801 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.948 8.381 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.423 7.243 3.052 1.00 0.00 H new ATOM 9 N TYR A 29 -6.187 6.207 2.105 1.00 0.00 N ATOM 10 CA TYR A 29 -7.355 5.660 2.802 1.00 0.00 C ATOM 11 C TYR A 29 -7.996 4.545 1.972 1.00 0.00 C ATOM 12 O TYR A 29 -8.198 4.691 0.766 1.00 0.00 O ATOM 13 CB TYR A 29 -8.310 6.828 3.038 1.00 0.00 C ATOM 14 CG TYR A 29 -9.488 6.477 3.949 1.00 0.00 C ATOM 15 CD1 TYR A 29 -10.655 5.946 3.359 1.00 0.00 C ATOM 16 CD2 TYR A 29 -9.359 6.651 5.340 1.00 0.00 C ATOM 17 CE1 TYR A 29 -11.714 5.545 4.203 1.00 0.00 C ATOM 18 CE2 TYR A 29 -10.424 6.261 6.179 1.00 0.00 C ATOM 19 CZ TYR A 29 -11.576 5.697 5.591 1.00 0.00 C ATOM 20 OH TYR A 29 -12.521 5.136 6.382 1.00 0.00 O ATOM 0 H TYR A 29 -6.420 6.728 1.260 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.082 5.208 3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.756 7.658 3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.693 7.174 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.736 5.849 2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.459 7.076 5.758 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.618 5.127 3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.359 6.391 7.249 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.308 5.313 7.322 1.00 0.00 H new ATOM 21 N CYS A 30 -8.275 3.446 2.645 1.00 0.00 N ATOM 22 CA CYS A 30 -8.996 2.307 2.061 1.00 0.00 C ATOM 23 C CYS A 30 -10.377 2.193 2.706 1.00 0.00 C ATOM 24 O CYS A 30 -10.533 2.400 3.912 1.00 0.00 O ATOM 25 CB CYS A 30 -8.236 1.008 2.347 1.00 0.00 C ATOM 26 SG CYS A 30 -8.786 -0.430 1.364 1.00 0.00 S ATOM 0 H CYS A 30 -8.010 3.307 3.620 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.085 2.464 0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.175 1.175 2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.339 0.768 3.405 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.952 -0.823 1.785 1.00 0.00 H new ATOM 27 N SER A 31 -11.322 1.708 1.918 1.00 0.00 N ATOM 28 CA SER A 31 -12.660 1.322 2.411 1.00 0.00 C ATOM 29 C SER A 31 -12.592 -0.112 2.985 1.00 0.00 C ATOM 30 O SER A 31 -13.332 -1.013 2.604 1.00 0.00 O ATOM 31 CB SER A 31 -13.676 1.463 1.273 1.00 0.00 C ATOM 32 OG SER A 31 -13.235 0.716 0.139 1.00 0.00 O ATOM 0 H SER A 31 -11.196 1.566 0.916 1.00 0.00 H new ATOM 0 HA SER A 31 -12.988 1.978 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.653 1.106 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.794 2.513 1.006 1.00 0.00 H new ATOM 0 HG SER A 31 -13.247 1.290 -0.655 1.00 0.00 H new ATOM 33 N ASN A 32 -11.622 -0.263 3.884 1.00 0.00 N ATOM 34 CA ASN A 32 -11.290 -1.547 4.537 1.00 0.00 C ATOM 35 C ASN A 32 -11.875 -1.667 5.968 1.00 0.00 C ATOM 36 O ASN A 32 -12.425 -2.699 6.355 1.00 0.00 O ATOM 37 CB ASN A 32 -9.773 -1.759 4.604 1.00 0.00 C ATOM 38 CG ASN A 32 -9.045 -0.930 5.659 1.00 0.00 C ATOM 39 OD1 ASN A 32 -8.922 0.289 5.569 1.00 0.00 O ATOM 40 ND2 ASN A 32 -8.631 -1.611 6.693 1.00 0.00 N ATOM 0 H ASN A 32 -11.030 0.509 4.190 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.748 -2.318 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.578 -2.814 4.797 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.347 -1.529 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.182 -1.131 7.473 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.756 -2.623 6.721 1.00 0.00 H new ATOM 41 N GLY A 33 -11.841 -0.520 6.628 1.00 0.00 N ATOM 42 CA GLY A 33 -11.921 -0.287 8.084 1.00 0.00 C ATOM 43 C GLY A 33 -10.741 0.675 8.295 1.00 0.00 C ATOM 44 O GLY A 33 -9.669 0.300 8.782 1.00 0.00 O ATOM 0 H GLY A 33 -11.748 0.361 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.872 0.157 8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.809 -1.208 8.655 1.00 0.00 H new ATOM 45 N GLY A 34 -10.991 1.897 7.831 1.00 0.00 N ATOM 46 CA GLY A 34 -9.979 2.801 7.271 1.00 0.00 C ATOM 47 C GLY A 34 -9.010 3.502 8.221 1.00 0.00 C ATOM 48 O GLY A 34 -9.394 4.188 9.166 1.00 0.00 O ATOM 0 H GLY A 34 -11.928 2.301 7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.386 2.230 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.502 3.572 6.706 1.00 0.00 H new ATOM 49 N HIS A 35 -7.789 3.493 7.717 1.00 0.00 N ATOM 50 CA HIS A 35 -6.596 4.141 8.301 1.00 0.00 C ATOM 51 C HIS A 35 -5.911 5.055 7.265 1.00 0.00 C ATOM 52 O HIS A 35 -6.466 5.303 6.190 1.00 0.00 O ATOM 53 CB HIS A 35 -5.660 3.027 8.797 1.00 0.00 C ATOM 54 CG HIS A 35 -6.233 2.322 10.019 1.00 0.00 C ATOM 55 ND1 HIS A 35 -7.221 1.431 10.032 1.00 0.00 N ATOM 56 CD2 HIS A 35 -6.016 2.697 11.277 1.00 0.00 C ATOM 57 CE1 HIS A 35 -7.630 1.275 11.276 1.00 0.00 C ATOM 58 NE2 HIS A 35 -6.892 2.069 12.046 1.00 0.00 N ATOM 0 H HIS A 35 -7.576 3.012 6.843 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.872 4.782 9.138 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.500 2.302 7.999 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.686 3.451 9.043 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.599 0.949 9.216 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.259 3.391 11.612 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.422 0.620 11.609 1.00 0.00 H new ATOM 59 N PHE A 36 -4.662 5.431 7.545 1.00 0.00 N ATOM 60 CA PHE A 36 -3.839 6.313 6.688 1.00 0.00 C ATOM 61 C PHE A 36 -2.517 5.598 6.469 1.00 0.00 C ATOM 62 O PHE A 36 -1.830 5.244 7.435 1.00 0.00 O ATOM 63 CB PHE A 36 -3.644 7.690 7.326 1.00 0.00 C ATOM 64 CG PHE A 36 -4.884 8.587 7.183 1.00 0.00 C ATOM 65 CD1 PHE A 36 -5.010 9.395 6.028 1.00 0.00 C ATOM 66 CD2 PHE A 36 -5.898 8.561 8.163 1.00 0.00 C ATOM 67 CE1 PHE A 36 -6.174 10.172 5.853 1.00 0.00 C ATOM 68 CE2 PHE A 36 -7.062 9.338 7.988 1.00 0.00 C ATOM 69 CZ PHE A 36 -7.190 10.136 6.833 1.00 0.00 C ATOM 0 H PHE A 36 -4.176 5.129 8.390 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.333 6.500 5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.409 7.567 8.383 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.788 8.183 6.864 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.223 9.416 5.288 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.783 7.948 9.045 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.288 10.791 4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.846 9.322 8.730 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.081 10.730 6.695 1.00 0.00 H new ATOM 70 N LEU A 37 -2.395 5.100 5.246 1.00 0.00 N ATOM 71 CA LEU A 37 -1.204 4.381 4.756 1.00 0.00 C ATOM 72 C LEU A 37 0.090 5.112 5.164 1.00 0.00 C ATOM 73 O LEU A 37 0.347 6.225 4.706 1.00 0.00 O ATOM 74 CB LEU A 37 -1.280 4.323 3.226 1.00 0.00 C ATOM 75 CG LEU A 37 -1.125 2.904 2.673 1.00 0.00 C ATOM 76 CD1 LEU A 37 -1.279 2.955 1.154 1.00 0.00 C ATOM 77 CD2 LEU A 37 0.224 2.289 3.010 1.00 0.00 C ATOM 0 H LEU A 37 -3.131 5.181 4.544 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.185 3.381 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.236 4.732 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.501 4.958 2.805 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.892 2.282 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.171 1.951 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.264 3.347 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.512 3.604 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.280 1.283 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.019 2.902 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.342 2.240 4.093 1.00 0.00 H new ATOM 78 N ARG A 38 0.774 4.576 6.157 1.00 0.00 N ATOM 79 CA ARG A 38 2.014 5.179 6.659 1.00 0.00 C ATOM 80 C ARG A 38 3.210 4.248 6.489 1.00 0.00 C ATOM 81 O ARG A 38 3.232 3.116 6.958 1.00 0.00 O ATOM 82 CB ARG A 38 1.812 5.652 8.106 1.00 0.00 C ATOM 83 CG ARG A 38 3.077 6.294 8.684 1.00 0.00 C ATOM 84 CD ARG A 38 2.916 7.090 9.978 1.00 0.00 C ATOM 85 NE ARG A 38 2.339 6.256 11.035 1.00 0.00 N ATOM 86 CZ ARG A 38 1.248 6.511 11.727 1.00 0.00 C ATOM 87 NH1 ARG A 38 0.171 6.995 11.119 1.00 0.00 N ATOM 88 NH2 ARG A 38 1.029 5.817 12.834 1.00 0.00 N ATOM 0 H ARG A 38 0.498 3.721 6.640 1.00 0.00 H new ATOM 0 HA ARG A 38 2.251 6.057 6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.993 6.370 8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.520 4.805 8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.809 5.505 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.498 6.957 7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.886 7.471 10.298 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.276 7.954 9.801 1.00 0.00 H new ATOM 0 HE ARG A 38 2.832 5.391 11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.188 7.170 10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.673 7.192 11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.697 5.106 13.131 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.192 5.994 13.390 1.00 0.00 H new ATOM 89 N ILE A 39 4.224 4.831 5.855 1.00 0.00 N ATOM 90 CA ILE A 39 5.537 4.172 5.714 1.00 0.00 C ATOM 91 C ILE A 39 6.486 4.748 6.741 1.00 0.00 C ATOM 92 O ILE A 39 7.058 5.838 6.630 1.00 0.00 O ATOM 93 CB ILE A 39 5.997 4.257 4.246 1.00 0.00 C ATOM 94 CG1 ILE A 39 7.206 3.363 4.066 1.00 0.00 C ATOM 95 CG2 ILE A 39 6.279 5.690 3.751 1.00 0.00 C ATOM 96 CD1 ILE A 39 7.039 2.516 2.803 1.00 0.00 C ATOM 0 H ILE A 39 4.171 5.756 5.429 1.00 0.00 H new ATOM 0 HA ILE A 39 5.493 3.104 5.930 1.00 0.00 H new ATOM 0 HB ILE A 39 5.170 3.913 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.110 3.968 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.325 2.717 4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.597 5.659 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.372 6.289 3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.067 6.136 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.911 1.874 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.145 1.899 2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.942 3.170 1.936 1.00 0.00 H new ATOM 97 N LEU A 40 6.455 4.034 7.857 1.00 0.00 N ATOM 98 CA LEU A 40 7.135 4.451 9.087 1.00 0.00 C ATOM 99 C LEU A 40 8.646 4.617 8.876 1.00 0.00 C ATOM 100 O LEU A 40 9.252 3.733 8.258 1.00 0.00 O ATOM 101 CB LEU A 40 6.907 3.442 10.226 1.00 0.00 C ATOM 102 CG LEU A 40 5.552 3.519 10.935 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.457 4.841 11.682 1.00 0.00 C ATOM 104 CD2 LEU A 40 4.363 3.307 10.012 1.00 0.00 C ATOM 0 H LEU A 40 5.958 3.147 7.941 1.00 0.00 H new ATOM 0 HA LEU A 40 6.704 5.414 9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.026 2.437 9.822 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.691 3.582 10.970 1.00 0.00 H new ATOM 0 HG LEU A 40 5.503 2.691 11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.495 4.904 12.190 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.260 4.902 12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.549 5.666 10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.439 3.376 10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.365 4.071 9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.431 2.321 9.552 1.00 0.00 H new ATOM 105 N PRO A 41 9.253 5.580 9.587 1.00 0.00 N ATOM 106 CA PRO A 41 10.718 5.755 9.590 1.00 0.00 C ATOM 107 C PRO A 41 11.433 4.464 10.067 1.00 0.00 C ATOM 108 O PRO A 41 12.436 4.069 9.487 1.00 0.00 O ATOM 109 CB PRO A 41 10.961 6.930 10.534 1.00 0.00 C ATOM 110 CG PRO A 41 9.755 6.923 11.469 1.00 0.00 C ATOM 111 CD PRO A 41 8.602 6.459 10.581 1.00 0.00 C ATOM 0 HA PRO A 41 11.119 5.950 8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.893 6.809 11.087 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.034 7.870 9.987 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.907 6.248 12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.566 7.913 11.884 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.846 5.923 11.155 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.101 7.301 10.103 1.00 0.00 H new ATOM 112 N ASP A 42 10.716 3.712 10.903 1.00 0.00 N ATOM 113 CA ASP A 42 11.108 2.402 11.477 1.00 0.00 C ATOM 114 C ASP A 42 11.073 1.211 10.484 1.00 0.00 C ATOM 115 O ASP A 42 11.087 0.059 10.919 1.00 0.00 O ATOM 116 CB ASP A 42 10.147 2.137 12.635 1.00 0.00 C ATOM 117 CG ASP A 42 10.439 3.026 13.853 1.00 0.00 C ATOM 118 OD1 ASP A 42 10.005 4.192 13.790 1.00 0.00 O ATOM 119 OD2 ASP A 42 11.033 2.498 14.821 1.00 0.00 O ATOM 0 H ASP A 42 9.793 4.007 11.222 1.00 0.00 H new ATOM 0 HA ASP A 42 12.152 2.468 11.784 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.124 2.308 12.301 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.216 1.089 12.928 1.00 0.00 H new ATOM 120 N GLY A 43 10.882 1.505 9.204 1.00 0.00 N ATOM 121 CA GLY A 43 10.883 0.526 8.094 1.00 0.00 C ATOM 122 C GLY A 43 9.650 -0.388 8.019 1.00 0.00 C ATOM 123 O GLY A 43 9.694 -1.390 7.309 1.00 0.00 O ATOM 0 H GLY A 43 10.716 2.460 8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.969 1.069 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.772 -0.098 8.184 1.00 0.00 H new ATOM 124 N THR A 44 8.508 0.094 8.502 1.00 0.00 N ATOM 125 CA THR A 44 7.283 -0.725 8.529 1.00 0.00 C ATOM 126 C THR A 44 6.098 0.050 7.968 1.00 0.00 C ATOM 127 O THR A 44 6.074 1.287 8.027 1.00 0.00 O ATOM 128 CB THR A 44 6.962 -1.303 9.929 1.00 0.00 C ATOM 129 OG1 THR A 44 5.774 -2.094 9.835 1.00 0.00 O ATOM 130 CG2 THR A 44 6.823 -0.244 11.023 1.00 0.00 C ATOM 0 H THR A 44 8.397 1.036 8.878 1.00 0.00 H new ATOM 0 HA THR A 44 7.475 -1.584 7.886 1.00 0.00 H new ATOM 0 HB THR A 44 7.812 -1.914 10.232 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.560 -2.468 10.715 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.598 -0.729 11.973 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.756 0.312 11.112 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.015 0.441 10.766 1.00 0.00 H new ATOM 131 N VAL A 45 5.191 -0.661 7.325 1.00 0.00 N ATOM 132 CA VAL A 45 3.994 -0.005 6.787 1.00 0.00 C ATOM 133 C VAL A 45 2.798 -0.313 7.682 1.00 0.00 C ATOM 134 O VAL A 45 2.290 -1.428 7.774 1.00 0.00 O ATOM 135 CB VAL A 45 3.800 -0.324 5.294 1.00 0.00 C ATOM 136 CG1 VAL A 45 2.662 0.491 4.682 1.00 0.00 C ATOM 137 CG2 VAL A 45 5.046 0.081 4.511 1.00 0.00 C ATOM 0 H VAL A 45 5.247 -1.666 7.161 1.00 0.00 H new ATOM 0 HA VAL A 45 4.113 1.078 6.808 1.00 0.00 H new ATOM 0 HB VAL A 45 3.590 -1.392 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.558 0.236 3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.732 0.265 5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.883 1.554 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.902 -0.147 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.219 1.150 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.908 -0.470 4.887 1.00 0.00 H new ATOM 138 N ASP A 46 2.487 0.729 8.452 1.00 0.00 N ATOM 139 CA ASP A 46 1.364 0.725 9.406 1.00 0.00 C ATOM 140 C ASP A 46 0.355 1.819 9.057 1.00 0.00 C ATOM 141 O ASP A 46 0.578 2.603 8.143 1.00 0.00 O ATOM 142 CB ASP A 46 1.799 0.928 10.860 1.00 0.00 C ATOM 143 CG ASP A 46 2.670 -0.200 11.405 1.00 0.00 C ATOM 144 OD1 ASP A 46 2.138 -1.320 11.496 1.00 0.00 O ATOM 145 OD2 ASP A 46 3.815 0.112 11.789 1.00 0.00 O ATOM 0 H ASP A 46 3.006 1.607 8.436 1.00 0.00 H new ATOM 0 HA ASP A 46 0.915 -0.265 9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.346 1.867 10.938 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.911 1.024 11.485 1.00 0.00 H new ATOM 146 N GLY A 47 -0.838 1.692 9.631 1.00 0.00 N ATOM 147 CA GLY A 47 -1.906 2.686 9.505 1.00 0.00 C ATOM 148 C GLY A 47 -1.879 3.602 10.730 1.00 0.00 C ATOM 149 O GLY A 47 -0.860 3.728 11.407 1.00 0.00 O ATOM 0 H GLY A 47 -1.096 0.888 10.204 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.771 3.270 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.874 2.191 9.426 1.00 0.00 H new ATOM 150 N THR A 48 -3.079 3.952 11.169 1.00 0.00 N ATOM 151 CA THR A 48 -3.211 4.997 12.202 1.00 0.00 C ATOM 152 C THR A 48 -4.167 4.751 13.359 1.00 0.00 C ATOM 153 O THR A 48 -5.371 4.998 13.301 1.00 0.00 O ATOM 154 CB THR A 48 -3.410 6.386 11.578 1.00 0.00 C ATOM 155 OG1 THR A 48 -3.572 7.355 12.618 1.00 0.00 O ATOM 156 CG2 THR A 48 -4.664 6.456 10.704 1.00 0.00 C ATOM 0 H THR A 48 -3.958 3.548 10.845 1.00 0.00 H new ATOM 0 HA THR A 48 -2.244 4.947 12.702 1.00 0.00 H new ATOM 0 HB THR A 48 -2.532 6.584 10.963 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.698 8.242 12.222 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.761 7.458 10.286 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.584 5.731 9.894 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.542 6.229 11.309 1.00 0.00 H new ATOM 157 N ARG A 49 -3.574 4.206 14.408 1.00 0.00 N ATOM 158 CA ARG A 49 -4.137 4.334 15.779 1.00 0.00 C ATOM 159 C ARG A 49 -3.956 5.761 16.311 1.00 0.00 C ATOM 160 O ARG A 49 -4.698 6.254 17.147 1.00 0.00 O ATOM 161 CB ARG A 49 -3.446 3.333 16.699 1.00 0.00 C ATOM 162 CG ARG A 49 -3.931 1.937 16.311 1.00 0.00 C ATOM 163 CD ARG A 49 -3.211 0.841 17.079 1.00 0.00 C ATOM 164 NE ARG A 49 -3.701 -0.447 16.569 1.00 0.00 N ATOM 165 CZ ARG A 49 -2.941 -1.431 16.080 1.00 0.00 C ATOM 166 NH1 ARG A 49 -1.628 -1.280 15.951 1.00 0.00 N ATOM 167 NH2 ARG A 49 -3.483 -2.560 15.656 1.00 0.00 N ATOM 0 H ARG A 49 -2.708 3.670 14.357 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.206 4.122 15.747 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.363 3.404 16.597 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.683 3.545 17.742 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.003 1.863 16.496 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.781 1.787 15.242 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.133 0.922 16.944 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.406 0.930 18.148 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.709 -0.603 16.590 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.186 -0.403 16.227 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.062 -2.041 15.576 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.494 -2.688 15.700 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.890 -3.303 15.285 1.00 0.00 H new ATOM 168 N ASP A 50 -2.913 6.383 15.766 1.00 0.00 N ATOM 169 CA ASP A 50 -2.493 7.777 15.996 1.00 0.00 C ATOM 170 C ASP A 50 -1.567 8.091 14.835 1.00 0.00 C ATOM 171 O ASP A 50 -0.632 7.335 14.571 1.00 0.00 O ATOM 172 CB ASP A 50 -1.684 7.841 17.290 1.00 0.00 C ATOM 173 CG ASP A 50 -1.634 9.275 17.810 1.00 0.00 C ATOM 174 OD1 ASP A 50 -2.726 9.829 18.059 1.00 0.00 O ATOM 175 OD2 ASP A 50 -0.510 9.815 17.911 1.00 0.00 O ATOM 0 H ASP A 50 -2.296 5.904 15.110 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.336 8.464 16.069 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.132 7.190 18.040 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.673 7.475 17.114 1.00 0.00 H new ATOM 176 N ARG A 51 -1.799 9.219 14.178 1.00 0.00 N ATOM 177 CA ARG A 51 -1.010 9.572 12.986 1.00 0.00 C ATOM 178 C ARG A 51 0.264 10.316 13.371 1.00 0.00 C ATOM 179 O ARG A 51 0.239 11.372 14.002 1.00 0.00 O ATOM 180 CB ARG A 51 -1.894 10.378 12.054 1.00 0.00 C ATOM 181 CG ARG A 51 -1.822 9.832 10.630 1.00 0.00 C ATOM 182 CD ARG A 51 -2.691 10.687 9.708 1.00 0.00 C ATOM 183 NE ARG A 51 -2.195 12.075 9.694 1.00 0.00 N ATOM 184 CZ ARG A 51 -2.017 12.820 8.615 1.00 0.00 C ATOM 185 NH1 ARG A 51 -2.736 12.642 7.521 1.00 0.00 N ATOM 186 NH2 ARG A 51 -1.432 13.998 8.702 1.00 0.00 N ATOM 0 H ARG A 51 -2.512 9.901 14.437 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.682 8.670 12.469 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.925 10.349 12.408 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.583 11.423 12.064 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.790 9.836 10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.162 8.796 10.609 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.678 10.277 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.727 10.665 10.047 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.969 12.498 10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.451 11.915 7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.576 13.232 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.112 14.343 9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.299 14.565 7.864 1.00 0.00 H new ATOM 187 N SER A 52 1.374 9.682 13.019 1.00 0.00 N ATOM 188 CA SER A 52 2.701 10.310 13.097 1.00 0.00 C ATOM 189 C SER A 52 2.852 11.134 11.821 1.00 0.00 C ATOM 190 O SER A 52 2.843 10.618 10.703 1.00 0.00 O ATOM 191 CB SER A 52 3.788 9.264 13.297 1.00 0.00 C ATOM 192 OG SER A 52 5.079 9.871 13.200 1.00 0.00 O ATOM 0 H SER A 52 1.389 8.723 12.672 1.00 0.00 H new ATOM 0 HA SER A 52 2.803 10.966 13.962 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.673 8.791 14.272 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.690 8.479 12.548 1.00 0.00 H new ATOM 0 HG SER A 52 5.491 9.629 12.344 1.00 0.00 H new ATOM 193 N ASP A 53 2.357 12.319 12.110 1.00 0.00 N ATOM 194 CA ASP A 53 2.154 13.459 11.171 1.00 0.00 C ATOM 195 C ASP A 53 3.397 13.874 10.375 1.00 0.00 C ATOM 196 O ASP A 53 4.043 14.892 10.631 1.00 0.00 O ATOM 197 CB ASP A 53 1.550 14.665 11.900 1.00 0.00 C ATOM 198 CG ASP A 53 0.091 14.476 12.323 1.00 0.00 C ATOM 199 OD1 ASP A 53 -0.635 13.744 11.617 1.00 0.00 O ATOM 200 OD2 ASP A 53 -0.276 15.101 13.344 1.00 0.00 O ATOM 0 H ASP A 53 2.060 12.550 13.058 1.00 0.00 H new ATOM 0 HA ASP A 53 1.451 13.087 10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.149 14.877 12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.618 15.539 11.252 1.00 0.00 H new ATOM 201 N GLN A 54 3.717 12.977 9.451 1.00 0.00 N ATOM 202 CA GLN A 54 4.781 13.084 8.451 1.00 0.00 C ATOM 203 C GLN A 54 4.801 11.804 7.602 1.00 0.00 C ATOM 204 O GLN A 54 4.262 11.823 6.502 1.00 0.00 O ATOM 205 CB GLN A 54 6.155 13.306 9.103 1.00 0.00 C ATOM 206 CG GLN A 54 7.227 13.769 8.109 1.00 0.00 C ATOM 207 CD GLN A 54 8.624 13.801 8.735 1.00 0.00 C ATOM 208 OE1 GLN A 54 8.839 14.131 9.897 1.00 0.00 O ATOM 209 NE2 GLN A 54 9.627 13.418 7.971 1.00 0.00 N ATOM 0 H GLN A 54 3.209 12.096 9.372 1.00 0.00 H new ATOM 0 HA GLN A 54 4.576 13.950 7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.058 14.048 9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.481 12.378 9.573 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.233 13.102 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.973 14.763 7.741 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.455 13.142 7.004 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.575 13.397 8.347 1.00 0.00 H new ATOM 210 N HIS A 55 5.057 10.681 8.259 1.00 0.00 N ATOM 211 CA HIS A 55 5.437 9.413 7.582 1.00 0.00 C ATOM 212 C HIS A 55 4.381 8.743 6.674 1.00 0.00 C ATOM 213 O HIS A 55 4.666 7.723 6.047 1.00 0.00 O ATOM 214 CB HIS A 55 6.046 8.455 8.624 1.00 0.00 C ATOM 215 CG HIS A 55 6.995 9.192 9.580 1.00 0.00 C ATOM 216 ND1 HIS A 55 6.724 9.508 10.845 1.00 0.00 N ATOM 217 CD2 HIS A 55 8.094 9.851 9.240 1.00 0.00 C ATOM 218 CE1 HIS A 55 7.636 10.364 11.276 1.00 0.00 C ATOM 219 NE2 HIS A 55 8.483 10.588 10.270 1.00 0.00 N ATOM 0 H HIS A 55 5.012 10.606 9.275 1.00 0.00 H new ATOM 0 HA HIS A 55 6.182 9.690 6.836 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.247 7.982 9.196 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.588 7.658 8.114 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.590 9.796 8.282 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.686 10.802 12.262 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.287 11.215 10.290 1.00 0.00 H new ATOM 220 N ILE A 56 3.132 9.202 6.776 1.00 0.00 N ATOM 221 CA ILE A 56 2.051 8.933 5.782 1.00 0.00 C ATOM 222 C ILE A 56 2.510 9.059 4.330 1.00 0.00 C ATOM 223 O ILE A 56 3.235 9.970 3.917 1.00 0.00 O ATOM 224 CB ILE A 56 0.722 9.596 6.186 1.00 0.00 C ATOM 225 CG1 ILE A 56 0.847 11.072 6.626 1.00 0.00 C ATOM 226 CG2 ILE A 56 0.020 8.780 7.267 1.00 0.00 C ATOM 227 CD1 ILE A 56 1.054 12.043 5.470 1.00 0.00 C ATOM 0 H ILE A 56 2.823 9.781 7.557 1.00 0.00 H new ATOM 0 HA ILE A 56 1.805 7.872 5.816 1.00 0.00 H new ATOM 0 HB ILE A 56 0.120 9.609 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.053 11.357 7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.682 11.165 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.917 9.266 7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.186 7.778 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.661 8.712 8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.133 13.059 5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.970 11.786 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.208 11.980 4.786 1.00 0.00 H new ATOM 228 N GLN A 57 2.344 7.882 3.732 1.00 0.00 N ATOM 229 CA GLN A 57 2.783 7.484 2.385 1.00 0.00 C ATOM 230 C GLN A 57 1.835 8.054 1.319 1.00 0.00 C ATOM 231 O GLN A 57 1.063 8.969 1.574 1.00 0.00 O ATOM 232 CB GLN A 57 2.787 5.941 2.488 1.00 0.00 C ATOM 233 CG GLN A 57 3.074 5.059 1.250 1.00 0.00 C ATOM 234 CD GLN A 57 4.383 5.412 0.543 1.00 0.00 C ATOM 235 OE1 GLN A 57 4.454 6.282 -0.316 1.00 0.00 O ATOM 236 NE2 GLN A 57 5.401 4.617 0.748 1.00 0.00 N ATOM 0 H GLN A 57 1.863 7.119 4.208 1.00 0.00 H new ATOM 0 HA GLN A 57 3.757 7.864 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.522 5.674 3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.811 5.644 2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.106 4.014 1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.250 5.158 0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.346 3.891 1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.250 4.723 0.193 1.00 0.00 H new ATOM 237 N LEU A 58 2.102 7.657 0.075 1.00 0.00 N ATOM 238 CA LEU A 58 1.186 7.663 -1.081 1.00 0.00 C ATOM 239 C LEU A 58 1.256 8.932 -1.944 1.00 0.00 C ATOM 240 O LEU A 58 0.444 9.847 -1.891 1.00 0.00 O ATOM 241 CB LEU A 58 -0.238 7.293 -0.635 1.00 0.00 C ATOM 242 CG LEU A 58 -1.090 6.493 -1.644 1.00 0.00 C ATOM 243 CD1 LEU A 58 -1.069 7.052 -3.072 1.00 0.00 C ATOM 244 CD2 LEU A 58 -0.663 5.027 -1.675 1.00 0.00 C ATOM 0 H LEU A 58 3.023 7.298 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 58 1.532 6.887 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.167 6.715 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.770 8.213 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.114 6.587 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.693 6.431 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.453 8.072 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.046 7.051 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.278 4.484 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.384 4.959 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.790 4.590 -0.685 1.00 0.00 H new ATOM 245 N GLN A 59 2.330 8.923 -2.729 1.00 0.00 N ATOM 246 CA GLN A 59 2.500 9.789 -3.899 1.00 0.00 C ATOM 247 C GLN A 59 3.107 8.945 -5.011 1.00 0.00 C ATOM 248 O GLN A 59 4.212 8.413 -4.916 1.00 0.00 O ATOM 249 CB GLN A 59 3.473 10.914 -3.547 1.00 0.00 C ATOM 250 CG GLN A 59 3.020 12.258 -4.124 1.00 0.00 C ATOM 251 CD GLN A 59 3.241 12.484 -5.635 1.00 0.00 C ATOM 252 OE1 GLN A 59 3.350 11.596 -6.464 1.00 0.00 O ATOM 253 NE2 GLN A 59 3.112 13.724 -6.017 1.00 0.00 N ATOM 0 H GLN A 59 3.124 8.303 -2.569 1.00 0.00 H new ATOM 0 HA GLN A 59 1.545 10.214 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.559 10.994 -2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.464 10.670 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.956 12.374 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.538 13.050 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.021 14.465 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.102 13.953 -7.011 1.00 0.00 H new ATOM 254 N LEU A 60 2.301 8.799 -6.042 1.00 0.00 N ATOM 255 CA LEU A 60 2.531 7.677 -6.943 1.00 0.00 C ATOM 256 C LEU A 60 2.903 8.037 -8.385 1.00 0.00 C ATOM 257 O LEU A 60 2.277 8.840 -9.071 1.00 0.00 O ATOM 258 CB LEU A 60 1.395 6.668 -6.829 1.00 0.00 C ATOM 259 CG LEU A 60 0.047 7.111 -7.378 1.00 0.00 C ATOM 260 CD1 LEU A 60 -0.740 5.818 -7.347 1.00 0.00 C ATOM 261 CD2 LEU A 60 -0.693 8.185 -6.574 1.00 0.00 C ATOM 0 H LEU A 60 1.516 9.407 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 60 3.449 7.201 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.693 5.756 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.269 6.411 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 60 0.172 7.588 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.748 5.996 -7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.245 5.076 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.795 5.450 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.639 8.418 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.886 7.817 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.081 9.085 -6.520 1.00 0.00 H new ATOM 262 N SER A 61 3.932 7.316 -8.811 1.00 0.00 N ATOM 263 CA SER A 61 4.514 7.430 -10.152 1.00 0.00 C ATOM 264 C SER A 61 4.404 6.130 -10.940 1.00 0.00 C ATOM 265 O SER A 61 4.971 5.090 -10.612 1.00 0.00 O ATOM 266 CB SER A 61 5.974 7.863 -10.135 1.00 0.00 C ATOM 267 OG SER A 61 6.531 7.738 -11.452 1.00 0.00 O ATOM 0 H SER A 61 4.398 6.621 -8.227 1.00 0.00 H new ATOM 0 HA SER A 61 3.926 8.206 -10.643 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.053 8.895 -9.793 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.537 7.249 -9.432 1.00 0.00 H new ATOM 0 HG SER A 61 7.470 8.019 -11.438 1.00 0.00 H new ATOM 268 N ALA A 62 3.686 6.260 -12.035 1.00 0.00 N ATOM 269 CA ALA A 62 3.553 5.182 -13.018 1.00 0.00 C ATOM 270 C ALA A 62 4.737 5.131 -13.977 1.00 0.00 C ATOM 271 O ALA A 62 5.045 6.079 -14.691 1.00 0.00 O ATOM 272 CB ALA A 62 2.222 5.315 -13.771 1.00 0.00 C ATOM 0 H ALA A 62 3.176 7.109 -12.277 1.00 0.00 H new ATOM 0 HA ALA A 62 3.553 4.234 -12.479 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.134 4.509 -14.499 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.396 5.256 -13.063 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.190 6.275 -14.287 1.00 0.00 H new ATOM 273 N GLU A 63 5.472 4.038 -13.804 1.00 0.00 N ATOM 274 CA GLU A 63 6.570 3.660 -14.701 1.00 0.00 C ATOM 275 C GLU A 63 6.007 3.253 -16.076 1.00 0.00 C ATOM 276 O GLU A 63 6.515 3.662 -17.115 1.00 0.00 O ATOM 277 CB GLU A 63 7.361 2.480 -14.111 1.00 0.00 C ATOM 278 CG GLU A 63 8.594 2.177 -14.972 1.00 0.00 C ATOM 279 CD GLU A 63 9.202 0.808 -14.686 1.00 0.00 C ATOM 280 OE1 GLU A 63 10.020 0.722 -13.739 1.00 0.00 O ATOM 281 OE2 GLU A 63 8.859 -0.123 -15.446 1.00 0.00 O ATOM 0 H GLU A 63 5.326 3.383 -13.036 1.00 0.00 H new ATOM 0 HA GLU A 63 7.234 4.517 -14.814 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.670 2.714 -13.092 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.723 1.598 -14.056 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.317 2.232 -16.025 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.348 2.946 -14.800 1.00 0.00 H new ATOM 282 N SER A 64 4.976 2.423 -16.027 1.00 0.00 N ATOM 283 CA SER A 64 4.402 1.759 -17.221 1.00 0.00 C ATOM 284 C SER A 64 2.936 1.360 -16.963 1.00 0.00 C ATOM 285 O SER A 64 2.352 1.744 -15.949 1.00 0.00 O ATOM 286 CB SER A 64 5.339 0.580 -17.555 1.00 0.00 C ATOM 287 OG SER A 64 4.893 -0.180 -18.679 1.00 0.00 O ATOM 0 H SER A 64 4.500 2.180 -15.158 1.00 0.00 H new ATOM 0 HA SER A 64 4.352 2.418 -18.088 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.340 0.963 -17.755 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.416 -0.075 -16.687 1.00 0.00 H new ATOM 0 HG SER A 64 5.522 -0.912 -18.849 1.00 0.00 H new ATOM 288 N VAL A 65 2.427 0.491 -17.841 1.00 0.00 N ATOM 289 CA VAL A 65 1.058 -0.056 -17.919 1.00 0.00 C ATOM 290 C VAL A 65 0.501 -0.565 -16.572 1.00 0.00 C ATOM 291 O VAL A 65 0.813 -1.646 -16.086 1.00 0.00 O ATOM 292 CB VAL A 65 1.051 -1.116 -19.043 1.00 0.00 C ATOM 293 CG1 VAL A 65 2.009 -2.284 -18.777 1.00 0.00 C ATOM 294 CG2 VAL A 65 -0.360 -1.612 -19.343 1.00 0.00 C ATOM 0 H VAL A 65 3.012 0.114 -18.587 1.00 0.00 H new ATOM 0 HA VAL A 65 0.360 0.745 -18.164 1.00 0.00 H new ATOM 0 HB VAL A 65 1.425 -0.610 -19.933 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.957 -2.993 -19.603 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.027 -1.906 -18.687 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.725 -2.784 -17.851 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.323 -2.356 -20.139 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.786 -2.061 -18.446 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.981 -0.774 -19.659 1.00 0.00 H new ATOM 295 N GLY A 66 -0.118 0.397 -15.881 1.00 0.00 N ATOM 296 CA GLY A 66 -0.669 0.236 -14.528 1.00 0.00 C ATOM 297 C GLY A 66 0.424 0.342 -13.445 1.00 0.00 C ATOM 298 O GLY A 66 0.214 0.873 -12.364 1.00 0.00 O ATOM 0 H GLY A 66 -0.254 1.336 -16.256 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.429 0.998 -14.353 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.164 -0.732 -14.451 1.00 0.00 H new ATOM 299 N GLU A 67 1.547 -0.273 -13.771 1.00 0.00 N ATOM 300 CA GLU A 67 2.791 -0.335 -12.982 1.00 0.00 C ATOM 301 C GLU A 67 3.220 1.002 -12.364 1.00 0.00 C ATOM 302 O GLU A 67 3.839 1.855 -12.983 1.00 0.00 O ATOM 303 CB GLU A 67 3.904 -0.819 -13.900 1.00 0.00 C ATOM 304 CG GLU A 67 3.673 -2.225 -14.439 1.00 0.00 C ATOM 305 CD GLU A 67 4.752 -2.644 -15.442 1.00 0.00 C ATOM 306 OE1 GLU A 67 5.883 -2.921 -14.986 1.00 0.00 O ATOM 307 OE2 GLU A 67 4.437 -2.617 -16.654 1.00 0.00 O ATOM 0 H GLU A 67 1.632 -0.781 -14.652 1.00 0.00 H new ATOM 0 HA GLU A 67 2.601 -1.010 -12.148 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.001 -0.128 -14.737 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.849 -0.796 -13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.656 -2.932 -13.610 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.695 -2.272 -14.919 1.00 0.00 H new ATOM 308 N VAL A 68 3.020 1.018 -11.061 1.00 0.00 N ATOM 309 CA VAL A 68 3.221 2.198 -10.208 1.00 0.00 C ATOM 310 C VAL A 68 4.091 2.032 -8.960 1.00 0.00 C ATOM 311 O VAL A 68 3.966 1.142 -8.138 1.00 0.00 O ATOM 312 CB VAL A 68 1.885 2.838 -9.906 1.00 0.00 C ATOM 313 CG1 VAL A 68 0.896 1.917 -9.139 1.00 0.00 C ATOM 314 CG2 VAL A 68 1.912 4.114 -9.123 1.00 0.00 C ATOM 0 H VAL A 68 2.706 0.197 -10.543 1.00 0.00 H new ATOM 0 HA VAL A 68 3.841 2.867 -10.805 1.00 0.00 H new ATOM 0 HB VAL A 68 1.554 3.042 -10.924 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.037 2.452 -8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.696 1.024 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.335 1.627 -8.184 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.893 4.471 -8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.380 3.937 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.482 4.865 -9.670 1.00 0.00 H new ATOM 315 N TYR A 69 4.937 3.039 -8.905 1.00 0.00 N ATOM 316 CA TYR A 69 5.910 3.304 -7.842 1.00 0.00 C ATOM 317 C TYR A 69 5.343 4.299 -6.833 1.00 0.00 C ATOM 318 O TYR A 69 5.093 5.455 -7.152 1.00 0.00 O ATOM 319 CB TYR A 69 7.150 3.942 -8.447 1.00 0.00 C ATOM 320 CG TYR A 69 8.181 2.939 -8.975 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.447 1.745 -8.256 1.00 0.00 C ATOM 322 CD2 TYR A 69 8.813 3.222 -10.203 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.327 0.804 -8.804 1.00 0.00 C ATOM 324 CE2 TYR A 69 9.722 2.286 -10.737 1.00 0.00 C ATOM 325 CZ TYR A 69 9.971 1.094 -10.027 1.00 0.00 C ATOM 326 OH TYR A 69 10.925 0.235 -10.470 1.00 0.00 O ATOM 0 H TYR A 69 4.974 3.743 -9.642 1.00 0.00 H new ATOM 0 HA TYR A 69 6.143 2.359 -7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.846 4.597 -9.264 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.625 4.571 -7.694 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.978 1.565 -7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.604 4.143 -10.727 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.511 -0.132 -8.298 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.220 2.479 -11.676 1.00 0.00 H new ATOM 0 HH TYR A 69 11.284 0.556 -11.323 1.00 0.00 H new ATOM 327 N ILE A 70 5.149 3.798 -5.618 1.00 0.00 N ATOM 328 CA ILE A 70 4.487 4.609 -4.585 1.00 0.00 C ATOM 329 C ILE A 70 5.509 5.137 -3.582 1.00 0.00 C ATOM 330 O ILE A 70 5.941 4.469 -2.643 1.00 0.00 O ATOM 331 CB ILE A 70 3.320 3.844 -3.946 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.365 3.380 -5.049 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.560 4.766 -2.992 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.427 2.249 -4.621 1.00 0.00 C ATOM 0 H ILE A 70 5.429 2.863 -5.323 1.00 0.00 H new ATOM 0 HA ILE A 70 4.038 5.488 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 70 3.707 2.987 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.767 4.229 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.950 3.049 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.732 4.220 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.234 5.116 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.171 5.621 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.782 1.976 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.016 1.383 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.814 2.582 -3.783 1.00 0.00 H new ATOM 335 N LYS A 71 5.794 6.407 -3.824 1.00 0.00 N ATOM 336 CA LYS A 71 6.801 7.173 -3.069 1.00 0.00 C ATOM 337 C LYS A 71 6.108 8.053 -2.040 1.00 0.00 C ATOM 338 O LYS A 71 4.915 8.369 -2.114 1.00 0.00 O ATOM 339 CB LYS A 71 7.582 8.027 -4.070 1.00 0.00 C ATOM 340 CG LYS A 71 8.813 8.707 -3.481 1.00 0.00 C ATOM 341 CD LYS A 71 9.325 9.710 -4.508 1.00 0.00 C ATOM 342 CE LYS A 71 9.257 11.150 -3.980 1.00 0.00 C ATOM 343 NZ LYS A 71 10.422 11.324 -3.110 1.00 0.00 N ATOM 0 H LYS A 71 5.334 6.950 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 71 7.481 6.506 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.892 7.398 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.918 8.790 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.562 9.210 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.582 7.971 -3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.355 9.467 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.735 9.629 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.275 11.867 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.332 11.319 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.425 12.289 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.378 10.638 -2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.292 11.169 -3.659 1.00 0.00 H new ATOM 344 N SER A 72 6.874 8.310 -1.003 1.00 0.00 N ATOM 345 CA SER A 72 6.485 9.228 0.075 1.00 0.00 C ATOM 346 C SER A 72 7.335 10.503 -0.057 1.00 0.00 C ATOM 347 O SER A 72 8.539 10.448 -0.290 1.00 0.00 O ATOM 348 CB SER A 72 6.752 8.478 1.374 1.00 0.00 C ATOM 349 OG SER A 72 6.811 9.392 2.479 1.00 0.00 O ATOM 0 H SER A 72 7.794 7.890 -0.872 1.00 0.00 H new ATOM 0 HA SER A 72 5.439 9.532 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.966 7.742 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.691 7.929 1.298 1.00 0.00 H new ATOM 0 HG SER A 72 6.229 9.072 3.199 1.00 0.00 H new ATOM 350 N THR A 73 6.660 11.644 -0.025 1.00 0.00 N ATOM 351 CA THR A 73 7.353 12.947 -0.049 1.00 0.00 C ATOM 352 C THR A 73 7.852 13.379 1.347 1.00 0.00 C ATOM 353 O THR A 73 8.645 14.299 1.490 1.00 0.00 O ATOM 354 CB THR A 73 6.475 14.064 -0.629 1.00 0.00 C ATOM 355 OG1 THR A 73 5.346 14.294 0.229 1.00 0.00 O ATOM 356 CG2 THR A 73 6.065 13.785 -2.071 1.00 0.00 C ATOM 0 H THR A 73 5.643 11.706 0.017 1.00 0.00 H new ATOM 0 HA THR A 73 8.215 12.797 -0.699 1.00 0.00 H new ATOM 0 HB THR A 73 7.064 14.980 -0.665 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.565 14.531 -0.314 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.445 14.603 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.956 13.698 -2.692 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.500 12.854 -2.115 1.00 0.00 H new ATOM 357 N GLU A 74 7.462 12.595 2.356 1.00 0.00 N ATOM 358 CA GLU A 74 7.691 12.902 3.779 1.00 0.00 C ATOM 359 C GLU A 74 8.795 12.035 4.415 1.00 0.00 C ATOM 360 O GLU A 74 9.580 12.524 5.222 1.00 0.00 O ATOM 361 CB GLU A 74 6.364 12.709 4.532 1.00 0.00 C ATOM 362 CG GLU A 74 5.285 13.724 4.137 1.00 0.00 C ATOM 363 CD GLU A 74 4.226 13.175 3.174 1.00 0.00 C ATOM 364 OE1 GLU A 74 4.561 12.319 2.320 1.00 0.00 O ATOM 365 OE2 GLU A 74 3.098 13.709 3.248 1.00 0.00 O ATOM 0 H GLU A 74 6.970 11.714 2.209 1.00 0.00 H new ATOM 0 HA GLU A 74 8.038 13.933 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.991 11.702 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.549 12.785 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.789 14.079 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.766 14.587 3.677 1.00 0.00 H new ATOM 366 N THR A 75 8.600 10.730 4.288 1.00 0.00 N ATOM 367 CA THR A 75 9.602 9.688 4.625 1.00 0.00 C ATOM 368 C THR A 75 10.535 9.314 3.461 1.00 0.00 C ATOM 369 O THR A 75 11.622 8.803 3.703 1.00 0.00 O ATOM 370 CB THR A 75 8.907 8.393 5.079 1.00 0.00 C ATOM 371 OG1 THR A 75 7.471 8.476 5.029 1.00 0.00 O ATOM 372 CG2 THR A 75 9.418 8.024 6.467 1.00 0.00 C ATOM 0 H THR A 75 7.724 10.341 3.940 1.00 0.00 H new ATOM 0 HA THR A 75 10.202 10.130 5.420 1.00 0.00 H new ATOM 0 HB THR A 75 9.162 7.599 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.084 7.839 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.933 7.107 6.801 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.497 7.871 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.190 8.830 7.165 1.00 0.00 H new ATOM 373 N GLY A 76 10.052 9.469 2.221 1.00 0.00 N ATOM 374 CA GLY A 76 10.745 9.012 1.003 1.00 0.00 C ATOM 375 C GLY A 76 10.324 7.583 0.676 1.00 0.00 C ATOM 376 O GLY A 76 9.713 7.324 -0.350 1.00 0.00 O ATOM 0 H GLY A 76 9.158 9.921 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.506 9.671 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.824 9.059 1.148 1.00 0.00 H new ATOM 377 N GLN A 77 10.813 6.727 1.571 1.00 0.00 N ATOM 378 CA GLN A 77 10.486 5.288 1.704 1.00 0.00 C ATOM 379 C GLN A 77 9.284 4.837 0.868 1.00 0.00 C ATOM 380 O GLN A 77 8.169 5.349 0.974 1.00 0.00 O ATOM 381 CB GLN A 77 10.264 4.968 3.183 1.00 0.00 C ATOM 382 CG GLN A 77 11.539 4.954 4.037 1.00 0.00 C ATOM 383 CD GLN A 77 12.316 3.635 3.948 1.00 0.00 C ATOM 384 OE1 GLN A 77 12.371 2.966 2.933 1.00 0.00 O ATOM 385 NE2 GLN A 77 12.957 3.235 5.023 1.00 0.00 N ATOM 0 H GLN A 77 11.491 7.027 2.271 1.00 0.00 H new ATOM 0 HA GLN A 77 11.334 4.729 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.573 5.701 3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.781 3.994 3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.188 5.771 3.722 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.273 5.141 5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.916 3.790 5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.496 2.369 5.003 1.00 0.00 H new ATOM 386 N TYR A 78 9.574 3.858 0.033 1.00 0.00 N ATOM 387 CA TYR A 78 8.660 3.336 -0.996 1.00 0.00 C ATOM 388 C TYR A 78 7.761 2.232 -0.461 1.00 0.00 C ATOM 389 O TYR A 78 8.208 1.347 0.270 1.00 0.00 O ATOM 390 CB TYR A 78 9.529 2.753 -2.116 1.00 0.00 C ATOM 391 CG TYR A 78 10.166 3.828 -2.986 1.00 0.00 C ATOM 392 CD1 TYR A 78 11.364 4.437 -2.552 1.00 0.00 C ATOM 393 CD2 TYR A 78 9.486 4.253 -4.152 1.00 0.00 C ATOM 394 CE1 TYR A 78 11.882 5.512 -3.290 1.00 0.00 C ATOM 395 CE2 TYR A 78 10.016 5.316 -4.894 1.00 0.00 C ATOM 396 CZ TYR A 78 11.199 5.939 -4.447 1.00 0.00 C ATOM 397 OH TYR A 78 11.684 6.992 -5.154 1.00 0.00 O ATOM 0 H TYR A 78 10.476 3.382 0.042 1.00 0.00 H new ATOM 0 HA TYR A 78 8.017 4.146 -1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.312 2.135 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.919 2.100 -2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.872 4.082 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.574 3.766 -4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.790 6.005 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.526 5.653 -5.795 1.00 0.00 H new ATOM 0 HH TYR A 78 11.103 7.164 -5.924 1.00 0.00 H new ATOM 398 N LEU A 79 6.478 2.341 -0.822 1.00 0.00 N ATOM 399 CA LEU A 79 5.501 1.298 -0.462 1.00 0.00 C ATOM 400 C LEU A 79 5.862 0.002 -1.178 1.00 0.00 C ATOM 401 O LEU A 79 5.858 -0.080 -2.406 1.00 0.00 O ATOM 402 CB LEU A 79 4.059 1.719 -0.783 1.00 0.00 C ATOM 403 CG LEU A 79 3.017 0.794 -0.134 1.00 0.00 C ATOM 404 CD1 LEU A 79 3.172 0.722 1.377 1.00 0.00 C ATOM 405 CD2 LEU A 79 1.658 1.380 -0.506 1.00 0.00 C ATOM 0 H LEU A 79 6.093 3.123 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 79 5.546 1.145 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.897 2.741 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.916 1.720 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 79 3.138 -0.229 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.414 0.057 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.163 0.340 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.051 1.718 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.867 0.767 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.582 2.396 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.553 1.396 -1.591 1.00 0.00 H new ATOM 406 N ALA A 80 6.307 -0.941 -0.360 1.00 0.00 N ATOM 407 CA ALA A 80 6.925 -2.180 -0.849 1.00 0.00 C ATOM 408 C ALA A 80 6.303 -3.411 -0.209 1.00 0.00 C ATOM 409 O ALA A 80 5.737 -3.315 0.881 1.00 0.00 O ATOM 410 CB ALA A 80 8.413 -2.149 -0.495 1.00 0.00 C ATOM 0 H ALA A 80 6.254 -0.876 0.657 1.00 0.00 H new ATOM 0 HA ALA A 80 6.769 -2.240 -1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.891 -3.062 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.882 -1.286 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.528 -2.076 0.586 1.00 0.00 H new ATOM 411 N MET A 81 6.503 -4.547 -0.851 1.00 0.00 N ATOM 412 CA MET A 81 6.051 -5.828 -0.285 1.00 0.00 C ATOM 413 C MET A 81 7.155 -6.881 -0.416 1.00 0.00 C ATOM 414 O MET A 81 7.908 -6.921 -1.384 1.00 0.00 O ATOM 415 CB MET A 81 4.771 -6.297 -0.965 1.00 0.00 C ATOM 416 CG MET A 81 4.124 -7.401 -0.129 1.00 0.00 C ATOM 417 SD MET A 81 2.395 -7.060 0.322 1.00 0.00 S ATOM 418 CE MET A 81 1.624 -6.889 -1.273 1.00 0.00 C ATOM 0 H MET A 81 6.969 -4.621 -1.755 1.00 0.00 H new ATOM 0 HA MET A 81 5.834 -5.684 0.773 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.081 -5.461 -1.080 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.993 -6.667 -1.966 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.167 -8.338 -0.685 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.706 -7.543 0.781 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.593 -7.239 -1.218 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.636 -5.841 -1.573 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.170 -7.482 -2.006 1.00 0.00 H new ATOM 419 N ASP A 82 7.315 -7.627 0.679 1.00 0.00 N ATOM 420 CA ASP A 82 8.190 -8.808 0.711 1.00 0.00 C ATOM 421 C ASP A 82 7.408 -10.122 0.748 1.00 0.00 C ATOM 422 O ASP A 82 6.360 -10.227 1.381 1.00 0.00 O ATOM 423 CB ASP A 82 9.138 -8.727 1.904 1.00 0.00 C ATOM 424 CG ASP A 82 10.601 -8.756 1.437 1.00 0.00 C ATOM 425 OD1 ASP A 82 10.915 -9.696 0.676 1.00 0.00 O ATOM 426 OD2 ASP A 82 11.326 -7.822 1.815 1.00 0.00 O ATOM 0 H ASP A 82 6.847 -7.434 1.564 1.00 0.00 H new ATOM 0 HA ASP A 82 8.763 -8.805 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.948 -7.812 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.951 -9.560 2.581 1.00 0.00 H new ATOM 427 N THR A 83 8.186 -11.117 0.326 1.00 0.00 N ATOM 428 CA THR A 83 7.795 -12.537 0.115 1.00 0.00 C ATOM 429 C THR A 83 7.752 -13.321 1.441 1.00 0.00 C ATOM 430 O THR A 83 8.595 -14.145 1.764 1.00 0.00 O ATOM 431 CB THR A 83 8.743 -13.184 -0.897 1.00 0.00 C ATOM 432 OG1 THR A 83 9.044 -12.227 -1.912 1.00 0.00 O ATOM 433 CG2 THR A 83 8.104 -14.414 -1.538 1.00 0.00 C ATOM 0 H THR A 83 9.169 -10.959 0.105 1.00 0.00 H new ATOM 0 HA THR A 83 6.783 -12.564 -0.289 1.00 0.00 H new ATOM 0 HB THR A 83 9.650 -13.500 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.241 -11.703 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.799 -14.854 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.867 -15.145 -0.765 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.189 -14.122 -2.054 1.00 0.00 H new ATOM 434 N ASP A 84 6.926 -12.729 2.274 1.00 0.00 N ATOM 435 CA ASP A 84 6.540 -13.141 3.638 1.00 0.00 C ATOM 436 C ASP A 84 5.019 -12.919 3.772 1.00 0.00 C ATOM 437 O ASP A 84 4.304 -13.711 4.377 1.00 0.00 O ATOM 438 CB ASP A 84 7.286 -12.276 4.652 1.00 0.00 C ATOM 439 CG ASP A 84 8.817 -12.386 4.562 1.00 0.00 C ATOM 440 OD1 ASP A 84 9.389 -11.601 3.771 1.00 0.00 O ATOM 441 OD2 ASP A 84 9.375 -13.169 5.357 1.00 0.00 O ATOM 0 H ASP A 84 6.455 -11.865 2.005 1.00 0.00 H new ATOM 0 HA ASP A 84 6.789 -14.186 3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.998 -11.235 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.970 -12.558 5.656 1.00 0.00 H new ATOM 442 N GLY A 85 4.600 -11.743 3.284 1.00 0.00 N ATOM 443 CA GLY A 85 3.206 -11.288 3.267 1.00 0.00 C ATOM 444 C GLY A 85 3.148 -10.051 4.148 1.00 0.00 C ATOM 445 O GLY A 85 2.316 -9.925 5.039 1.00 0.00 O ATOM 0 H GLY A 85 5.243 -11.063 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.885 -11.057 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.539 -12.064 3.643 1.00 0.00 H new ATOM 446 N LEU A 86 4.011 -9.118 3.746 1.00 0.00 N ATOM 447 CA LEU A 86 4.532 -8.008 4.560 1.00 0.00 C ATOM 448 C LEU A 86 4.859 -6.773 3.721 1.00 0.00 C ATOM 449 O LEU A 86 5.744 -6.816 2.867 1.00 0.00 O ATOM 450 CB LEU A 86 5.844 -8.500 5.200 1.00 0.00 C ATOM 451 CG LEU A 86 5.794 -9.179 6.574 1.00 0.00 C ATOM 452 CD1 LEU A 86 5.503 -8.129 7.647 1.00 0.00 C ATOM 453 CD2 LEU A 86 4.903 -10.401 6.778 1.00 0.00 C ATOM 0 H LEU A 86 4.387 -9.111 2.798 1.00 0.00 H new ATOM 0 HA LEU A 86 3.774 -7.725 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.307 -9.200 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.512 -7.642 5.281 1.00 0.00 H new ATOM 0 HG LEU A 86 6.788 -9.619 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.467 -8.609 8.625 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.290 -7.375 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.544 -7.654 7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.992 -10.749 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.866 -10.133 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.213 -11.195 6.099 1.00 0.00 H new ATOM 454 N LEU A 87 4.033 -5.738 3.884 1.00 0.00 N ATOM 455 CA LEU A 87 4.321 -4.389 3.348 1.00 0.00 C ATOM 456 C LEU A 87 5.390 -3.703 4.215 1.00 0.00 C ATOM 457 O LEU A 87 5.175 -3.432 5.403 1.00 0.00 O ATOM 458 CB LEU A 87 3.090 -3.480 3.299 1.00 0.00 C ATOM 459 CG LEU A 87 1.963 -3.951 2.381 1.00 0.00 C ATOM 460 CD1 LEU A 87 0.645 -3.466 2.977 1.00 0.00 C ATOM 461 CD2 LEU A 87 2.141 -3.517 0.941 1.00 0.00 C ATOM 0 H LEU A 87 3.148 -5.801 4.387 1.00 0.00 H new ATOM 0 HA LEU A 87 4.668 -4.536 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.694 -3.378 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.405 -2.487 2.979 1.00 0.00 H new ATOM 0 HG LEU A 87 1.973 -5.040 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.181 -3.787 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.521 -3.886 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.653 -2.378 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.306 -3.885 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.172 -2.429 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.073 -3.925 0.551 1.00 0.00 H new ATOM 462 N TYR A 88 6.495 -3.355 3.563 1.00 0.00 N ATOM 463 CA TYR A 88 7.667 -2.790 4.263 1.00 0.00 C ATOM 464 C TYR A 88 8.222 -1.502 3.658 1.00 0.00 C ATOM 465 O TYR A 88 8.080 -1.246 2.466 1.00 0.00 O ATOM 466 CB TYR A 88 8.789 -3.824 4.445 1.00 0.00 C ATOM 467 CG TYR A 88 9.640 -4.202 3.239 1.00 0.00 C ATOM 468 CD1 TYR A 88 9.085 -4.736 2.057 1.00 0.00 C ATOM 469 CD2 TYR A 88 11.030 -4.015 3.405 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.946 -5.070 0.997 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.892 -4.368 2.360 1.00 0.00 C ATOM 472 CZ TYR A 88 11.338 -4.872 1.163 1.00 0.00 C ATOM 473 OH TYR A 88 12.196 -5.111 0.143 1.00 0.00 O ATOM 0 H TYR A 88 6.613 -3.450 2.554 1.00 0.00 H new ATOM 0 HA TYR A 88 7.276 -2.514 5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.460 -3.451 5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 88 8.337 -4.738 4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.019 -4.885 1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.422 -3.606 4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.553 -5.470 0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.961 -4.257 2.467 1.00 0.00 H new ATOM 0 HH TYR A 88 11.697 -5.436 -0.635 1.00 0.00 H new ATOM 474 N GLY A 89 8.931 -0.789 4.539 1.00 0.00 N ATOM 475 CA GLY A 89 9.594 0.488 4.220 1.00 0.00 C ATOM 476 C GLY A 89 10.922 0.262 3.486 1.00 0.00 C ATOM 477 O GLY A 89 11.959 0.126 4.122 1.00 0.00 O ATOM 0 H GLY A 89 9.065 -1.083 5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.934 1.098 3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.775 1.045 5.139 1.00 0.00 H new ATOM 478 N SER A 90 10.784 -0.070 2.205 1.00 0.00 N ATOM 479 CA SER A 90 11.953 -0.267 1.328 1.00 0.00 C ATOM 480 C SER A 90 12.370 0.993 0.566 1.00 0.00 C ATOM 481 O SER A 90 11.569 1.671 -0.077 1.00 0.00 O ATOM 482 CB SER A 90 11.688 -1.438 0.383 1.00 0.00 C ATOM 483 OG SER A 90 12.830 -1.750 -0.421 1.00 0.00 O ATOM 0 H SER A 90 9.884 -0.209 1.746 1.00 0.00 H new ATOM 0 HA SER A 90 12.804 -0.501 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.404 -2.315 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.844 -1.197 -0.264 1.00 0.00 H new ATOM 0 HG SER A 90 12.619 -2.505 -1.010 1.00 0.00 H new ATOM 484 N GLN A 91 13.624 1.366 0.793 1.00 0.00 N ATOM 485 CA GLN A 91 14.305 2.480 0.110 1.00 0.00 C ATOM 486 C GLN A 91 14.414 2.330 -1.413 1.00 0.00 C ATOM 487 O GLN A 91 14.604 3.302 -2.157 1.00 0.00 O ATOM 488 CB GLN A 91 15.721 2.606 0.651 1.00 0.00 C ATOM 489 CG GLN A 91 15.767 3.088 2.112 1.00 0.00 C ATOM 490 CD GLN A 91 15.868 1.877 3.043 1.00 0.00 C ATOM 491 OE1 GLN A 91 14.901 1.351 3.591 1.00 0.00 O ATOM 492 NE2 GLN A 91 17.068 1.367 3.185 1.00 0.00 N ATOM 0 H GLN A 91 14.219 0.894 1.474 1.00 0.00 H new ATOM 0 HA GLN A 91 13.690 3.358 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.219 1.639 0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.282 3.302 0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 91 16.621 3.748 2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 91 14.872 3.666 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 91 17.867 1.807 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 91 17.203 0.530 3.752 1.00 0.00 H new ATOM 493 N THR A 92 14.454 1.076 -1.824 1.00 0.00 N ATOM 494 CA THR A 92 14.575 0.652 -3.230 1.00 0.00 C ATOM 495 C THR A 92 13.209 0.489 -3.899 1.00 0.00 C ATOM 496 O THR A 92 12.386 -0.296 -3.431 1.00 0.00 O ATOM 497 CB THR A 92 15.306 -0.689 -3.373 1.00 0.00 C ATOM 498 OG1 THR A 92 14.835 -1.643 -2.424 1.00 0.00 O ATOM 499 CG2 THR A 92 16.822 -0.482 -3.303 1.00 0.00 C ATOM 0 H THR A 92 14.402 0.289 -1.177 1.00 0.00 H new ATOM 0 HA THR A 92 15.145 1.445 -3.715 1.00 0.00 H new ATOM 0 HB THR A 92 15.083 -1.104 -4.356 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.003 -1.319 -2.019 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.326 -1.443 -3.406 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.136 0.181 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.084 -0.036 -2.344 1.00 0.00 H new ATOM 500 N PRO A 93 13.068 1.116 -5.068 1.00 0.00 N ATOM 501 CA PRO A 93 11.968 0.773 -5.969 1.00 0.00 C ATOM 502 C PRO A 93 12.313 -0.337 -6.950 1.00 0.00 C ATOM 503 O PRO A 93 13.118 -0.212 -7.871 1.00 0.00 O ATOM 504 CB PRO A 93 11.559 2.051 -6.650 1.00 0.00 C ATOM 505 CG PRO A 93 12.872 2.849 -6.720 1.00 0.00 C ATOM 506 CD PRO A 93 13.632 2.411 -5.453 1.00 0.00 C ATOM 0 HA PRO A 93 11.136 0.356 -5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.148 1.865 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.795 2.582 -6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.434 2.617 -7.625 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.688 3.923 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.701 2.328 -5.649 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.511 3.142 -4.654 1.00 0.00 H new ATOM 507 N ASN A 94 11.926 -1.492 -6.460 1.00 0.00 N ATOM 508 CA ASN A 94 12.014 -2.780 -7.182 1.00 0.00 C ATOM 509 C ASN A 94 10.580 -3.203 -7.563 1.00 0.00 C ATOM 510 O ASN A 94 9.612 -2.510 -7.260 1.00 0.00 O ATOM 511 CB ASN A 94 12.720 -3.699 -6.176 1.00 0.00 C ATOM 512 CG ASN A 94 12.910 -5.152 -6.615 1.00 0.00 C ATOM 513 OD1 ASN A 94 12.026 -5.989 -6.478 1.00 0.00 O ATOM 514 ND2 ASN A 94 14.052 -5.453 -7.183 1.00 0.00 N ATOM 0 H ASN A 94 11.528 -1.585 -5.525 1.00 0.00 H new ATOM 0 HA ASN A 94 12.568 -2.778 -8.121 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.700 -3.276 -5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.151 -3.692 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.219 -6.401 -7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.774 -4.740 -7.286 1.00 0.00 H new ATOM 515 N GLU A 95 10.455 -4.361 -8.210 1.00 0.00 N ATOM 516 CA GLU A 95 9.174 -5.038 -8.495 1.00 0.00 C ATOM 517 C GLU A 95 8.278 -5.180 -7.243 1.00 0.00 C ATOM 518 O GLU A 95 7.093 -5.491 -7.342 1.00 0.00 O ATOM 519 CB GLU A 95 9.494 -6.474 -8.869 1.00 0.00 C ATOM 520 CG GLU A 95 10.372 -6.696 -10.109 1.00 0.00 C ATOM 521 CD GLU A 95 10.672 -8.191 -10.257 1.00 0.00 C ATOM 522 OE1 GLU A 95 9.841 -8.868 -10.901 1.00 0.00 O ATOM 523 OE2 GLU A 95 11.704 -8.615 -9.693 1.00 0.00 O ATOM 0 H GLU A 95 11.261 -4.876 -8.564 1.00 0.00 H new ATOM 0 HA GLU A 95 8.668 -4.451 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.987 -6.943 -8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.552 -7.001 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.864 -6.326 -10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.302 -6.134 -10.016 1.00 0.00 H new ATOM 524 N GLU A 96 8.969 -5.282 -6.110 1.00 0.00 N ATOM 525 CA GLU A 96 8.373 -5.270 -4.761 1.00 0.00 C ATOM 526 C GLU A 96 7.582 -3.991 -4.469 1.00 0.00 C ATOM 527 O GLU A 96 6.482 -4.047 -3.915 1.00 0.00 O ATOM 528 CB GLU A 96 9.498 -5.408 -3.738 1.00 0.00 C ATOM 529 CG GLU A 96 10.054 -6.832 -3.800 1.00 0.00 C ATOM 530 CD GLU A 96 10.738 -7.325 -2.518 1.00 0.00 C ATOM 531 OE1 GLU A 96 10.861 -6.533 -1.554 1.00 0.00 O ATOM 532 OE2 GLU A 96 11.223 -8.475 -2.545 1.00 0.00 O ATOM 0 H GLU A 96 9.984 -5.378 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 96 7.669 -6.100 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.287 -4.686 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.125 -5.192 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.238 -7.513 -4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.770 -6.889 -4.620 1.00 0.00 H new ATOM 533 N CYS A 97 8.142 -2.871 -4.908 1.00 0.00 N ATOM 534 CA CYS A 97 7.562 -1.539 -4.709 1.00 0.00 C ATOM 535 C CYS A 97 6.623 -1.170 -5.864 1.00 0.00 C ATOM 536 O CYS A 97 5.791 -0.278 -5.738 1.00 0.00 O ATOM 537 CB CYS A 97 8.736 -0.562 -4.650 1.00 0.00 C ATOM 538 SG CYS A 97 8.191 1.187 -4.599 1.00 0.00 S ATOM 0 H CYS A 97 9.024 -2.857 -5.420 1.00 0.00 H new ATOM 0 HA CYS A 97 6.969 -1.508 -3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.340 -0.777 -3.768 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.376 -0.715 -5.519 1.00 0.00 H new ATOM 0 HG CYS A 97 9.216 1.954 -4.374 1.00 0.00 H new ATOM 539 N LEU A 98 6.999 -1.629 -7.053 1.00 0.00 N ATOM 540 CA LEU A 98 6.155 -1.507 -8.235 1.00 0.00 C ATOM 541 C LEU A 98 4.893 -2.354 -8.086 1.00 0.00 C ATOM 542 O LEU A 98 4.928 -3.559 -7.837 1.00 0.00 O ATOM 543 CB LEU A 98 6.888 -1.853 -9.530 1.00 0.00 C ATOM 544 CG LEU A 98 6.216 -1.070 -10.668 1.00 0.00 C ATOM 545 CD1 LEU A 98 6.318 0.412 -10.457 1.00 0.00 C ATOM 546 CD2 LEU A 98 7.039 -1.270 -11.927 1.00 0.00 C ATOM 0 H LEU A 98 7.891 -2.093 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 98 5.873 -0.457 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.943 -1.589 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.840 -2.925 -9.722 1.00 0.00 H new ATOM 0 HG LEU A 98 5.182 -1.412 -10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.831 0.931 -11.282 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.829 0.681 -9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.368 0.702 -10.414 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.582 -0.723 -12.751 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.051 -0.900 -11.763 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.076 -2.331 -12.172 1.00 0.00 H new ATOM 547 N PHE A 99 3.824 -1.600 -8.084 1.00 0.00 N ATOM 548 CA PHE A 99 2.468 -2.120 -7.944 1.00 0.00 C ATOM 549 C PHE A 99 1.606 -1.894 -9.185 1.00 0.00 C ATOM 550 O PHE A 99 1.664 -0.836 -9.784 1.00 0.00 O ATOM 551 CB PHE A 99 1.759 -1.426 -6.781 1.00 0.00 C ATOM 552 CG PHE A 99 2.148 -1.933 -5.389 1.00 0.00 C ATOM 553 CD1 PHE A 99 3.259 -1.376 -4.707 1.00 0.00 C ATOM 554 CD2 PHE A 99 1.265 -2.799 -4.712 1.00 0.00 C ATOM 555 CE1 PHE A 99 3.486 -1.707 -3.358 1.00 0.00 C ATOM 556 CE2 PHE A 99 1.487 -3.128 -3.353 1.00 0.00 C ATOM 557 CZ PHE A 99 2.605 -2.583 -2.689 1.00 0.00 C ATOM 0 H PHE A 99 3.862 -0.585 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 99 2.578 -3.192 -7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.968 -0.358 -6.833 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.683 -1.547 -6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.928 -0.701 -5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.415 -3.214 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.334 -1.291 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.809 -3.788 -2.832 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.789 -2.839 -1.656 1.00 0.00 H new ATOM 558 N LEU A 100 0.878 -2.892 -9.623 1.00 0.00 N ATOM 559 CA LEU A 100 0.003 -2.721 -10.795 1.00 0.00 C ATOM 560 C LEU A 100 -1.332 -2.051 -10.485 1.00 0.00 C ATOM 561 O LEU A 100 -2.084 -2.560 -9.648 1.00 0.00 O ATOM 562 CB LEU A 100 -0.255 -4.143 -11.334 1.00 0.00 C ATOM 563 CG LEU A 100 -0.608 -4.139 -12.823 1.00 0.00 C ATOM 564 CD1 LEU A 100 0.701 -4.137 -13.590 1.00 0.00 C ATOM 565 CD2 LEU A 100 -1.361 -5.415 -13.186 1.00 0.00 C ATOM 0 H LEU A 100 0.861 -3.823 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 100 0.496 -2.062 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.631 -4.757 -11.174 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.067 -4.602 -10.771 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.227 -3.274 -13.060 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.495 -4.134 -14.660 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.275 -3.248 -13.328 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.275 -5.028 -13.333 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.608 -5.402 -14.248 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.735 -6.281 -12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.279 -5.475 -12.601 1.00 0.00 H new ATOM 566 N GLU A 101 -1.575 -0.909 -11.116 1.00 0.00 N ATOM 567 CA GLU A 101 -2.842 -0.156 -10.921 1.00 0.00 C ATOM 568 C GLU A 101 -4.049 -0.892 -11.511 1.00 0.00 C ATOM 569 O GLU A 101 -4.392 -0.797 -12.691 1.00 0.00 O ATOM 570 CB GLU A 101 -2.740 1.262 -11.495 1.00 0.00 C ATOM 571 CG GLU A 101 -3.553 2.329 -10.773 1.00 0.00 C ATOM 572 CD GLU A 101 -5.067 2.131 -10.843 1.00 0.00 C ATOM 573 OE1 GLU A 101 -5.606 1.425 -9.957 1.00 0.00 O ATOM 574 OE2 GLU A 101 -5.671 2.682 -11.785 1.00 0.00 O ATOM 0 H GLU A 101 -0.924 -0.472 -11.768 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.000 -0.081 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.692 1.563 -11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.056 1.235 -12.538 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.251 2.351 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.307 3.303 -11.196 1.00 0.00 H new ATOM 575 N ARG A 102 -4.706 -1.561 -10.588 1.00 0.00 N ATOM 576 CA ARG A 102 -5.953 -2.325 -10.797 1.00 0.00 C ATOM 577 C ARG A 102 -7.109 -1.479 -10.263 1.00 0.00 C ATOM 578 O ARG A 102 -7.386 -1.429 -9.062 1.00 0.00 O ATOM 579 CB ARG A 102 -5.896 -3.581 -9.949 1.00 0.00 C ATOM 580 CG ARG A 102 -4.702 -4.522 -10.119 1.00 0.00 C ATOM 581 CD ARG A 102 -4.773 -5.310 -11.431 1.00 0.00 C ATOM 582 NE ARG A 102 -5.740 -6.420 -11.386 1.00 0.00 N ATOM 583 CZ ARG A 102 -5.744 -7.468 -12.214 1.00 0.00 C ATOM 584 NH1 ARG A 102 -5.015 -7.488 -13.323 1.00 0.00 N ATOM 585 NH2 ARG A 102 -6.580 -8.476 -12.014 1.00 0.00 N ATOM 0 H ARG A 102 -4.384 -1.599 -9.621 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.079 -2.568 -11.852 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.932 -3.277 -8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.801 -4.155 -10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.778 -3.944 -10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.666 -5.217 -9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.044 -4.632 -12.241 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.785 -5.706 -11.664 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.463 -6.386 -10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.430 -6.688 -13.563 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.040 -8.304 -13.935 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.225 -8.454 -11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.578 -9.274 -12.650 1.00 0.00 H new ATOM 586 N LEU A 103 -7.907 -0.997 -11.193 1.00 0.00 N ATOM 587 CA LEU A 103 -8.986 -0.054 -10.873 1.00 0.00 C ATOM 588 C LEU A 103 -10.376 -0.699 -10.946 1.00 0.00 C ATOM 589 O LEU A 103 -10.859 -1.069 -12.013 1.00 0.00 O ATOM 590 CB LEU A 103 -8.877 1.153 -11.809 1.00 0.00 C ATOM 591 CG LEU A 103 -9.871 2.290 -11.555 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.755 2.877 -10.142 1.00 0.00 C ATOM 593 CD2 LEU A 103 -9.715 3.358 -12.627 1.00 0.00 C ATOM 0 H LEU A 103 -7.837 -1.237 -12.182 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.868 0.270 -9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.867 1.556 -11.734 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.006 0.806 -12.834 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.877 1.874 -11.616 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.484 3.678 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.948 2.096 -9.407 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.751 3.274 -9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.424 4.165 -12.442 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.700 3.754 -12.601 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.909 2.921 -13.607 1.00 0.00 H new ATOM 594 N GLU A 104 -11.083 -0.449 -9.861 1.00 0.00 N ATOM 595 CA GLU A 104 -12.491 -0.882 -9.636 1.00 0.00 C ATOM 596 C GLU A 104 -13.527 0.040 -10.313 1.00 0.00 C ATOM 597 O GLU A 104 -14.722 -0.027 -10.011 1.00 0.00 O ATOM 598 CB GLU A 104 -12.774 -0.880 -8.124 1.00 0.00 C ATOM 599 CG GLU A 104 -12.010 -1.944 -7.339 1.00 0.00 C ATOM 600 CD GLU A 104 -12.724 -3.304 -7.316 1.00 0.00 C ATOM 601 OE1 GLU A 104 -12.963 -3.882 -8.396 1.00 0.00 O ATOM 602 OE2 GLU A 104 -12.985 -3.763 -6.176 1.00 0.00 O ATOM 0 H GLU A 104 -10.702 0.076 -9.074 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.591 -1.875 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.524 0.101 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.843 -1.026 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.019 -2.068 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.866 -1.598 -6.315 1.00 0.00 H new ATOM 603 N GLU A 105 -13.061 0.841 -11.264 1.00 0.00 N ATOM 604 CA GLU A 105 -13.771 1.981 -11.908 1.00 0.00 C ATOM 605 C GLU A 105 -14.239 3.124 -11.008 1.00 0.00 C ATOM 606 O GLU A 105 -13.909 4.281 -11.266 1.00 0.00 O ATOM 607 CB GLU A 105 -14.917 1.525 -12.828 1.00 0.00 C ATOM 608 CG GLU A 105 -14.462 1.375 -14.285 1.00 0.00 C ATOM 609 CD GLU A 105 -13.384 0.314 -14.496 1.00 0.00 C ATOM 610 OE1 GLU A 105 -13.545 -0.806 -13.964 1.00 0.00 O ATOM 611 OE2 GLU A 105 -12.398 0.655 -15.187 1.00 0.00 O ATOM 0 H GLU A 105 -12.121 0.719 -11.641 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.968 2.420 -12.500 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.310 0.573 -12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.732 2.247 -12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.327 1.126 -14.901 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.085 2.335 -14.637 1.00 0.00 H new ATOM 612 N ASN A 106 -14.875 2.766 -9.907 1.00 0.00 N ATOM 613 CA ASN A 106 -15.415 3.692 -8.908 1.00 0.00 C ATOM 614 C ASN A 106 -14.358 4.213 -7.909 1.00 0.00 C ATOM 615 O ASN A 106 -14.454 4.018 -6.702 1.00 0.00 O ATOM 616 CB ASN A 106 -16.550 2.933 -8.219 1.00 0.00 C ATOM 617 CG ASN A 106 -17.876 3.003 -8.983 1.00 0.00 C ATOM 618 OD1 ASN A 106 -18.058 2.434 -10.058 1.00 0.00 O ATOM 619 ND2 ASN A 106 -18.868 3.642 -8.401 1.00 0.00 N ATOM 0 H ASN A 106 -15.039 1.788 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.773 4.604 -9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.261 1.889 -8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.694 3.338 -7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -19.788 3.665 -8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.717 4.114 -7.509 1.00 0.00 H new ATOM 620 N HIS A 107 -13.291 4.777 -8.478 1.00 0.00 N ATOM 621 CA HIS A 107 -12.161 5.442 -7.793 1.00 0.00 C ATOM 622 C HIS A 107 -11.188 4.516 -7.045 1.00 0.00 C ATOM 623 O HIS A 107 -9.987 4.791 -6.989 1.00 0.00 O ATOM 624 CB HIS A 107 -12.625 6.585 -6.879 1.00 0.00 C ATOM 625 CG HIS A 107 -13.498 7.592 -7.632 1.00 0.00 C ATOM 626 ND1 HIS A 107 -14.826 7.581 -7.658 1.00 0.00 N ATOM 627 CD2 HIS A 107 -13.082 8.414 -8.589 1.00 0.00 C ATOM 628 CE1 HIS A 107 -15.235 8.375 -8.639 1.00 0.00 C ATOM 629 NE2 HIS A 107 -14.158 8.875 -9.228 1.00 0.00 N ATOM 0 H HIS A 107 -13.178 4.787 -9.492 1.00 0.00 H new ATOM 0 HA HIS A 107 -11.582 5.853 -8.620 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -13.185 6.175 -6.039 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.756 7.095 -6.464 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.055 8.664 -8.810 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -16.261 8.578 -8.909 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -14.153 9.504 -10.031 1.00 0.00 H new ATOM 630 N TYR A 108 -11.702 3.389 -6.546 1.00 0.00 N ATOM 631 CA TYR A 108 -10.917 2.369 -5.825 1.00 0.00 C ATOM 632 C TYR A 108 -9.790 1.752 -6.647 1.00 0.00 C ATOM 633 O TYR A 108 -9.986 1.007 -7.610 1.00 0.00 O ATOM 634 CB TYR A 108 -11.777 1.237 -5.265 1.00 0.00 C ATOM 635 CG TYR A 108 -12.850 1.705 -4.278 1.00 0.00 C ATOM 636 CD1 TYR A 108 -12.450 2.405 -3.112 1.00 0.00 C ATOM 637 CD2 TYR A 108 -14.203 1.613 -4.668 1.00 0.00 C ATOM 638 CE1 TYR A 108 -13.430 3.079 -2.370 1.00 0.00 C ATOM 639 CE2 TYR A 108 -15.179 2.286 -3.913 1.00 0.00 C ATOM 640 CZ TYR A 108 -14.773 3.034 -2.784 1.00 0.00 C ATOM 641 OH TYR A 108 -15.662 3.876 -2.192 1.00 0.00 O ATOM 0 H TYR A 108 -12.690 3.151 -6.630 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.475 2.933 -5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.260 0.717 -6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.130 0.514 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.415 2.419 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -14.485 1.033 -5.535 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.154 3.631 -1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -16.221 2.233 -4.191 1.00 0.00 H new ATOM 0 HH TYR A 108 -16.552 3.736 -2.578 1.00 0.00 H new ATOM 642 N ASN A 109 -8.605 2.129 -6.207 1.00 0.00 N ATOM 643 CA ASN A 109 -7.319 1.656 -6.697 1.00 0.00 C ATOM 644 C ASN A 109 -6.835 0.472 -5.844 1.00 0.00 C ATOM 645 O ASN A 109 -6.604 0.585 -4.640 1.00 0.00 O ATOM 646 CB ASN A 109 -6.323 2.799 -6.551 1.00 0.00 C ATOM 647 CG ASN A 109 -6.278 3.784 -7.724 1.00 0.00 C ATOM 648 OD1 ASN A 109 -5.248 3.975 -8.358 1.00 0.00 O ATOM 649 ND2 ASN A 109 -7.342 4.526 -7.968 1.00 0.00 N ATOM 0 H ASN A 109 -8.505 2.812 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.408 1.335 -7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.561 3.352 -5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.328 2.376 -6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -7.303 5.254 -8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.203 4.371 -7.443 1.00 0.00 H new ATOM 650 N THR A 110 -6.916 -0.694 -6.467 1.00 0.00 N ATOM 651 CA THR A 110 -6.297 -1.911 -5.915 1.00 0.00 C ATOM 652 C THR A 110 -4.968 -2.066 -6.670 1.00 0.00 C ATOM 653 O THR A 110 -4.836 -1.590 -7.800 1.00 0.00 O ATOM 654 CB THR A 110 -7.219 -3.130 -6.056 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.333 -3.552 -7.413 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.616 -2.906 -5.471 1.00 0.00 C ATOM 0 H THR A 110 -7.401 -0.833 -7.353 1.00 0.00 H new ATOM 0 HA THR A 110 -6.122 -1.834 -4.842 1.00 0.00 H new ATOM 0 HB THR A 110 -6.741 -3.917 -5.473 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.496 -2.773 -7.985 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.215 -3.807 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.533 -2.679 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.096 -2.072 -5.983 1.00 0.00 H new ATOM 657 N TYR A 111 -3.956 -2.637 -6.036 1.00 0.00 N ATOM 658 CA TYR A 111 -2.592 -2.608 -6.597 1.00 0.00 C ATOM 659 C TYR A 111 -1.810 -3.892 -6.325 1.00 0.00 C ATOM 660 O TYR A 111 -1.352 -4.097 -5.205 1.00 0.00 O ATOM 661 CB TYR A 111 -1.775 -1.449 -6.013 1.00 0.00 C ATOM 662 CG TYR A 111 -2.384 -0.062 -6.121 1.00 0.00 C ATOM 663 CD1 TYR A 111 -2.486 0.541 -7.391 1.00 0.00 C ATOM 664 CD2 TYR A 111 -2.542 0.688 -4.932 1.00 0.00 C ATOM 665 CE1 TYR A 111 -2.719 1.919 -7.473 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.779 2.067 -5.005 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.863 2.666 -6.288 1.00 0.00 C ATOM 668 OH TYR A 111 -3.237 3.962 -6.374 1.00 0.00 O ATOM 0 H TYR A 111 -4.039 -3.123 -5.143 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.729 -2.489 -7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.592 -1.659 -4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.804 -1.434 -6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.386 -0.052 -8.288 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.480 0.199 -3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.788 2.404 -8.435 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -2.895 2.658 -4.108 1.00 0.00 H new ATOM 0 HH TYR A 111 -3.812 4.085 -7.158 1.00 0.00 H new ATOM 669 N ILE A 112 -1.622 -4.713 -7.362 1.00 0.00 N ATOM 670 CA ILE A 112 -0.832 -5.951 -7.173 1.00 0.00 C ATOM 671 C ILE A 112 0.663 -5.676 -7.295 1.00 0.00 C ATOM 672 O ILE A 112 1.139 -5.271 -8.361 1.00 0.00 O ATOM 673 CB ILE A 112 -1.130 -7.183 -8.035 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.396 -7.058 -8.890 1.00 0.00 C ATOM 675 CG2 ILE A 112 -1.016 -8.419 -7.138 1.00 0.00 C ATOM 676 CD1 ILE A 112 -3.155 -8.324 -9.302 1.00 0.00 C ATOM 0 H ILE A 112 -1.984 -4.562 -8.304 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.160 -6.228 -6.171 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.385 -7.288 -8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.094 -6.420 -8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.123 -6.529 -9.803 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -1.223 -9.314 -7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.008 -8.479 -6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.736 -8.345 -6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.022 -8.049 -9.902 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.498 -8.968 -9.887 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.485 -8.857 -8.410 1.00 0.00 H new ATOM 677 N SER A 113 1.357 -5.985 -6.219 1.00 0.00 N ATOM 678 CA SER A 113 2.837 -5.925 -6.179 1.00 0.00 C ATOM 679 C SER A 113 3.370 -6.874 -7.257 1.00 0.00 C ATOM 680 O SER A 113 2.993 -8.045 -7.340 1.00 0.00 O ATOM 681 CB SER A 113 3.440 -6.233 -4.809 1.00 0.00 C ATOM 682 OG SER A 113 3.147 -7.553 -4.360 1.00 0.00 O ATOM 0 H SER A 113 0.931 -6.286 -5.342 1.00 0.00 H new ATOM 0 HA SER A 113 3.143 -4.898 -6.377 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.521 -6.102 -4.855 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.063 -5.515 -4.081 1.00 0.00 H new ATOM 0 HG SER A 113 2.177 -7.660 -4.268 1.00 0.00 H new ATOM 683 N LYS A 114 3.952 -6.202 -8.253 1.00 0.00 N ATOM 684 CA LYS A 114 4.454 -6.784 -9.506 1.00 0.00 C ATOM 685 C LYS A 114 5.191 -8.124 -9.339 1.00 0.00 C ATOM 686 O LYS A 114 4.869 -9.077 -10.040 1.00 0.00 O ATOM 687 CB LYS A 114 5.290 -5.693 -10.185 1.00 0.00 C ATOM 688 CG LYS A 114 6.023 -6.080 -11.473 1.00 0.00 C ATOM 689 CD LYS A 114 5.135 -6.641 -12.584 1.00 0.00 C ATOM 690 CE LYS A 114 4.216 -5.599 -13.219 1.00 0.00 C ATOM 691 NZ LYS A 114 3.378 -6.269 -14.230 1.00 0.00 N ATOM 0 H LYS A 114 4.094 -5.193 -8.209 1.00 0.00 H new ATOM 0 HA LYS A 114 3.617 -7.074 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.633 -4.852 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.030 -5.337 -9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.543 -5.201 -11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.785 -6.821 -11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.767 -7.075 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.527 -7.450 -12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.591 -5.131 -12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.804 -4.806 -13.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.819 -5.558 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.986 -6.781 -14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 2.738 -6.941 -13.760 1.00 0.00 H new ATOM 692 N LYS A 115 6.074 -8.221 -8.345 1.00 0.00 N ATOM 693 CA LYS A 115 6.754 -9.494 -8.094 1.00 0.00 C ATOM 694 C LYS A 115 5.809 -10.599 -7.559 1.00 0.00 C ATOM 695 O LYS A 115 5.783 -11.711 -8.095 1.00 0.00 O ATOM 696 CB LYS A 115 8.024 -9.324 -7.248 1.00 0.00 C ATOM 697 CG LYS A 115 7.812 -9.224 -5.725 1.00 0.00 C ATOM 698 CD LYS A 115 8.773 -10.115 -4.944 1.00 0.00 C ATOM 699 CE LYS A 115 8.479 -11.597 -5.163 1.00 0.00 C ATOM 700 NZ LYS A 115 9.579 -12.265 -5.889 1.00 0.00 N ATOM 0 H LYS A 115 6.331 -7.459 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 115 7.086 -9.852 -9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.686 -10.167 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.542 -8.425 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.943 -8.189 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.786 -9.503 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.797 -9.899 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.701 -9.883 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.328 -12.085 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.551 -11.706 -5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.199 -13.061 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.034 -11.585 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.280 -12.619 -5.207 1.00 0.00 H new ATOM 701 N HIS A 116 4.896 -10.210 -6.660 1.00 0.00 N ATOM 702 CA HIS A 116 3.899 -11.126 -6.068 1.00 0.00 C ATOM 703 C HIS A 116 2.604 -11.198 -6.896 1.00 0.00 C ATOM 704 O HIS A 116 1.578 -11.662 -6.389 1.00 0.00 O ATOM 705 CB HIS A 116 3.564 -10.656 -4.655 1.00 0.00 C ATOM 706 CG HIS A 116 4.778 -10.461 -3.762 1.00 0.00 C ATOM 707 ND1 HIS A 116 5.134 -9.307 -3.222 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.605 -11.410 -3.325 1.00 0.00 C ATOM 709 CE1 HIS A 116 6.188 -9.532 -2.439 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.475 -10.826 -2.511 1.00 0.00 N ATOM 0 H HIS A 116 4.823 -9.251 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 116 4.337 -12.124 -6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.017 -9.715 -4.717 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.897 -11.383 -4.190 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.682 -8.406 -3.377 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.573 -12.458 -3.585 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.714 -8.794 -1.851 1.00 0.00 H new ATOM 711 N ALA A 117 2.705 -10.906 -8.184 1.00 0.00 N ATOM 712 CA ALA A 117 1.612 -11.100 -9.151 1.00 0.00 C ATOM 713 C ALA A 117 1.210 -12.592 -9.197 1.00 0.00 C ATOM 714 O ALA A 117 0.040 -12.905 -9.026 1.00 0.00 O ATOM 715 CB ALA A 117 2.045 -10.617 -10.535 1.00 0.00 C ATOM 0 H ALA A 117 3.553 -10.523 -8.601 1.00 0.00 H new ATOM 0 HA ALA A 117 0.747 -10.516 -8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.230 -10.765 -11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.298 -9.558 -10.488 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.917 -11.184 -10.862 1.00 0.00 H new ATOM 716 N GLU A 118 2.222 -13.438 -9.021 1.00 0.00 N ATOM 717 CA GLU A 118 2.027 -14.908 -8.952 1.00 0.00 C ATOM 718 C GLU A 118 1.358 -15.436 -7.660 1.00 0.00 C ATOM 719 O GLU A 118 1.002 -16.615 -7.572 1.00 0.00 O ATOM 720 CB GLU A 118 3.308 -15.661 -9.299 1.00 0.00 C ATOM 721 CG GLU A 118 4.509 -15.239 -8.448 1.00 0.00 C ATOM 722 CD GLU A 118 5.751 -16.047 -8.829 1.00 0.00 C ATOM 723 OE1 GLU A 118 6.481 -15.587 -9.728 1.00 0.00 O ATOM 724 OE2 GLU A 118 5.942 -17.116 -8.203 1.00 0.00 O ATOM 0 H GLU A 118 3.193 -13.142 -8.922 1.00 0.00 H new ATOM 0 HA GLU A 118 1.287 -15.122 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.139 -16.730 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.542 -15.499 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.704 -14.176 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.283 -15.386 -7.392 1.00 0.00 H new ATOM 725 N LYS A 119 1.214 -14.544 -6.679 1.00 0.00 N ATOM 726 CA LYS A 119 0.486 -14.774 -5.406 1.00 0.00 C ATOM 727 C LYS A 119 -0.762 -13.872 -5.235 1.00 0.00 C ATOM 728 O LYS A 119 -1.544 -14.084 -4.323 1.00 0.00 O ATOM 729 CB LYS A 119 1.468 -14.518 -4.257 1.00 0.00 C ATOM 730 CG LYS A 119 2.324 -15.735 -3.968 1.00 0.00 C ATOM 731 CD LYS A 119 3.759 -15.334 -3.618 1.00 0.00 C ATOM 732 CE LYS A 119 4.509 -14.915 -4.886 1.00 0.00 C ATOM 733 NZ LYS A 119 5.883 -14.522 -4.554 1.00 0.00 N ATOM 0 H LYS A 119 1.610 -13.606 -6.740 1.00 0.00 H new ATOM 0 HA LYS A 119 0.117 -15.800 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.110 -13.673 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.914 -14.242 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.890 -16.300 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.330 -16.393 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.751 -14.512 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.273 -16.169 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.521 -15.739 -5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.991 -14.085 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.122 -13.641 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.963 -14.373 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.539 -15.274 -4.847 1.00 0.00 H new ATOM 734 N ASN A 120 -0.965 -12.947 -6.187 1.00 0.00 N ATOM 735 CA ASN A 120 -2.023 -11.909 -6.189 1.00 0.00 C ATOM 736 C ASN A 120 -2.026 -11.026 -4.941 1.00 0.00 C ATOM 737 O ASN A 120 -3.067 -10.585 -4.444 1.00 0.00 O ATOM 738 CB ASN A 120 -3.412 -12.530 -6.425 1.00 0.00 C ATOM 739 CG ASN A 120 -3.437 -13.317 -7.737 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.938 -12.894 -8.765 1.00 0.00 O ATOM 741 ND2 ASN A 120 -2.844 -14.488 -7.693 1.00 0.00 N ATOM 0 H ASN A 120 -0.373 -12.895 -7.016 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.784 -11.249 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.667 -13.189 -5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.167 -11.744 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -2.795 -15.067 -8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -2.433 -14.819 -6.820 1.00 0.00 H new ATOM 742 N TRP A 121 -0.823 -10.655 -4.536 1.00 0.00 N ATOM 743 CA TRP A 121 -0.646 -9.813 -3.335 1.00 0.00 C ATOM 744 C TRP A 121 -0.707 -8.327 -3.630 1.00 0.00 C ATOM 745 O TRP A 121 0.214 -7.721 -4.190 1.00 0.00 O ATOM 746 CB TRP A 121 0.643 -10.121 -2.588 1.00 0.00 C ATOM 747 CG TRP A 121 0.694 -11.498 -1.941 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.281 -12.399 -1.851 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.798 -11.995 -1.282 1.00 0.00 C ATOM 750 NE1 TRP A 121 0.176 -13.464 -1.201 1.00 0.00 N ATOM 751 CE2 TRP A 121 1.426 -13.256 -0.792 1.00 0.00 C ATOM 752 CE3 TRP A 121 3.081 -11.464 -1.031 1.00 0.00 C ATOM 753 CZ2 TRP A 121 2.309 -13.997 0.016 1.00 0.00 C ATOM 754 CZ3 TRP A 121 4.003 -12.226 -0.301 1.00 0.00 C ATOM 755 CH2 TRP A 121 3.599 -13.477 0.251 1.00 0.00 C ATOM 0 H TRP A 121 0.045 -10.913 -5.006 1.00 0.00 H new ATOM 0 HA TRP A 121 -1.493 -10.069 -2.698 1.00 0.00 H new ATOM 0 HB2 TRP A 121 1.479 -10.030 -3.282 1.00 0.00 H new ATOM 0 HB3 TRP A 121 0.787 -9.366 -1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.281 -12.283 -2.242 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.355 -14.319 -1.038 1.00 0.00 H new ATOM 0 HE3 TRP A 121 3.349 -10.484 -1.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 2.006 -14.941 0.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 5.012 -11.868 -0.158 1.00 0.00 H new ATOM 0 HH2 TRP A 121 4.293 -14.037 0.860 1.00 0.00 H new ATOM 756 N PHE A 122 -1.887 -7.813 -3.319 1.00 0.00 N ATOM 757 CA PHE A 122 -2.157 -6.376 -3.395 1.00 0.00 C ATOM 758 C PHE A 122 -1.813 -5.637 -2.093 1.00 0.00 C ATOM 759 O PHE A 122 -1.614 -6.230 -1.036 1.00 0.00 O ATOM 760 CB PHE A 122 -3.625 -6.050 -3.681 1.00 0.00 C ATOM 761 CG PHE A 122 -4.224 -6.670 -4.941 1.00 0.00 C ATOM 762 CD1 PHE A 122 -4.569 -8.039 -4.942 1.00 0.00 C ATOM 763 CD2 PHE A 122 -4.674 -5.818 -5.974 1.00 0.00 C ATOM 764 CE1 PHE A 122 -5.405 -8.557 -5.964 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.512 -6.324 -6.988 1.00 0.00 C ATOM 766 CZ PHE A 122 -5.879 -7.688 -6.968 1.00 0.00 C ATOM 0 H PHE A 122 -2.682 -8.371 -3.008 1.00 0.00 H new ATOM 0 HA PHE A 122 -1.522 -6.045 -4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.219 -6.372 -2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.727 -4.967 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.197 -8.691 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.376 -4.780 -5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.675 -9.603 -5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -5.870 -5.675 -7.773 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.534 -8.072 -7.736 1.00 0.00 H new ATOM 767 N VAL A 123 -1.678 -4.333 -2.281 1.00 0.00 N ATOM 768 CA VAL A 123 -1.695 -3.332 -1.217 1.00 0.00 C ATOM 769 C VAL A 123 -2.843 -3.595 -0.225 1.00 0.00 C ATOM 770 O VAL A 123 -3.966 -3.871 -0.637 1.00 0.00 O ATOM 771 CB VAL A 123 -1.815 -1.964 -1.933 1.00 0.00 C ATOM 772 CG1 VAL A 123 -3.153 -1.778 -2.675 1.00 0.00 C ATOM 773 CG2 VAL A 123 -1.561 -0.801 -0.970 1.00 0.00 C ATOM 0 H VAL A 123 -1.549 -3.926 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.791 -3.362 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 123 -1.035 -1.960 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -3.170 -0.799 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.260 -2.555 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -3.976 -1.849 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.654 0.143 -1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -2.292 -0.832 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.557 -0.885 -0.555 1.00 0.00 H new ATOM 774 N GLY A 124 -2.560 -3.397 1.061 1.00 0.00 N ATOM 775 CA GLY A 124 -3.502 -3.825 2.106 1.00 0.00 C ATOM 776 C GLY A 124 -3.485 -2.977 3.348 1.00 0.00 C ATOM 777 O GLY A 124 -2.482 -2.390 3.730 1.00 0.00 O ATOM 0 H GLY A 124 -1.708 -2.954 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.510 -3.820 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.275 -4.855 2.382 1.00 0.00 H new ATOM 778 N LEU A 125 -4.734 -2.693 3.681 1.00 0.00 N ATOM 779 CA LEU A 125 -5.019 -1.995 4.937 1.00 0.00 C ATOM 780 C LEU A 125 -5.609 -2.887 6.019 1.00 0.00 C ATOM 781 O LEU A 125 -6.611 -3.589 5.849 1.00 0.00 O ATOM 782 CB LEU A 125 -5.855 -0.751 4.643 1.00 0.00 C ATOM 783 CG LEU A 125 -5.084 0.389 5.286 1.00 0.00 C ATOM 784 CD1 LEU A 125 -3.773 0.712 4.608 1.00 0.00 C ATOM 785 CD2 LEU A 125 -5.938 1.661 5.331 1.00 0.00 C ATOM 0 H LEU A 125 -5.553 -2.926 3.119 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.071 -1.677 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.971 -0.596 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.857 -0.838 5.063 1.00 0.00 H new ATOM 0 HG LEU A 125 -4.849 0.039 6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.287 1.537 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -3.125 -0.164 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.959 0.997 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -5.368 2.466 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.214 1.950 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -6.840 1.473 5.913 1.00 0.00 H new ATOM 786 N LYS A 126 -4.774 -3.013 7.049 1.00 0.00 N ATOM 787 CA LYS A 126 -5.099 -3.784 8.238 1.00 0.00 C ATOM 788 C LYS A 126 -6.060 -3.014 9.169 1.00 0.00 C ATOM 789 O LYS A 126 -5.715 -2.008 9.783 1.00 0.00 O ATOM 790 CB LYS A 126 -3.785 -4.172 8.932 1.00 0.00 C ATOM 791 CG LYS A 126 -3.686 -5.626 9.422 1.00 0.00 C ATOM 792 CD LYS A 126 -4.655 -5.994 10.558 1.00 0.00 C ATOM 793 CE LYS A 126 -4.487 -5.087 11.777 1.00 0.00 C ATOM 794 NZ LYS A 126 -3.233 -5.369 12.491 1.00 0.00 N ATOM 0 H LYS A 126 -3.851 -2.580 7.078 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.633 -4.693 7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.963 -3.986 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.639 -3.511 9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.869 -6.292 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.666 -5.812 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.680 -5.926 10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.490 -7.030 10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.500 -4.044 11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.331 -5.225 12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.151 -4.736 13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.232 -6.357 12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.427 -5.213 11.852 1.00 0.00 H new ATOM 795 N LYS A 127 -7.175 -3.694 9.425 1.00 0.00 N ATOM 796 CA LYS A 127 -8.442 -3.171 9.984 1.00 0.00 C ATOM 797 C LYS A 127 -8.427 -2.462 11.349 1.00 0.00 C ATOM 798 O LYS A 127 -9.395 -1.806 11.724 1.00 0.00 O ATOM 799 CB LYS A 127 -9.481 -4.304 10.088 1.00 0.00 C ATOM 800 CG LYS A 127 -9.679 -5.204 8.863 1.00 0.00 C ATOM 801 CD LYS A 127 -9.896 -4.413 7.573 1.00 0.00 C ATOM 802 CE LYS A 127 -10.248 -5.299 6.380 1.00 0.00 C ATOM 803 NZ LYS A 127 -11.644 -5.728 6.520 1.00 0.00 N ATOM 0 H LYS A 127 -7.232 -4.695 9.238 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.681 -2.388 9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.202 -4.939 10.929 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.443 -3.855 10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.807 -5.848 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.536 -5.856 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.695 -3.688 7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -8.993 -3.847 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.111 -4.752 5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.587 -6.165 6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.950 -6.204 5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.726 -6.387 7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.247 -4.898 6.691 1.00 0.00 H new ATOM 804 N ASN A 128 -7.296 -2.533 12.046 1.00 0.00 N ATOM 805 CA ASN A 128 -7.187 -2.149 13.463 1.00 0.00 C ATOM 806 C ASN A 128 -6.259 -0.965 13.749 1.00 0.00 C ATOM 807 O ASN A 128 -6.398 -0.318 14.782 1.00 0.00 O ATOM 808 CB ASN A 128 -6.624 -3.345 14.211 1.00 0.00 C ATOM 809 CG ASN A 128 -7.692 -4.390 14.547 1.00 0.00 C ATOM 810 OD1 ASN A 128 -7.599 -5.562 14.196 1.00 0.00 O ATOM 811 ND2 ASN A 128 -8.796 -3.973 15.128 1.00 0.00 N ATOM 0 H ASN A 128 -6.417 -2.861 11.645 1.00 0.00 H new ATOM 0 HA ASN A 128 -8.186 -1.845 13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.844 -3.810 13.609 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -6.154 -3.003 15.133 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -9.567 -4.622 15.284 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -8.881 -3.000 15.423 1.00 0.00 H new ATOM 812 N GLY A 129 -5.398 -0.650 12.771 1.00 0.00 N ATOM 813 CA GLY A 129 -4.275 0.245 13.042 1.00 0.00 C ATOM 814 C GLY A 129 -2.981 0.024 12.245 1.00 0.00 C ATOM 815 O GLY A 129 -2.118 0.892 12.262 1.00 0.00 O ATOM 0 H GLY A 129 -5.457 -0.993 11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.609 1.267 12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -4.034 0.169 14.102 1.00 0.00 H new ATOM 816 N SER A 130 -2.897 -1.071 11.492 1.00 0.00 N ATOM 817 CA SER A 130 -1.724 -1.330 10.649 1.00 0.00 C ATOM 818 C SER A 130 -2.042 -1.293 9.150 1.00 0.00 C ATOM 819 O SER A 130 -3.096 -0.806 8.735 1.00 0.00 O ATOM 820 CB SER A 130 -1.081 -2.670 11.051 1.00 0.00 C ATOM 821 OG SER A 130 -0.901 -2.741 12.473 1.00 0.00 O ATOM 0 H SER A 130 -3.619 -1.790 11.446 1.00 0.00 H new ATOM 0 HA SER A 130 -1.013 -0.522 10.821 1.00 0.00 H new ATOM 0 HB2 SER A 130 -1.710 -3.495 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.118 -2.781 10.552 1.00 0.00 H new ATOM 0 HG SER A 130 -0.493 -3.600 12.709 1.00 0.00 H new ATOM 822 N CYS A 131 -1.067 -1.702 8.342 1.00 0.00 N ATOM 823 CA CYS A 131 -1.186 -1.841 6.882 1.00 0.00 C ATOM 824 C CYS A 131 -0.686 -3.236 6.469 1.00 0.00 C ATOM 825 O CYS A 131 -1.474 -4.048 5.994 1.00 0.00 O ATOM 826 CB CYS A 131 -0.399 -0.751 6.166 1.00 0.00 C ATOM 827 SG CYS A 131 -1.063 0.936 6.348 1.00 0.00 S ATOM 0 H CYS A 131 -0.142 -1.955 8.690 1.00 0.00 H new ATOM 0 HA CYS A 131 -2.232 -1.731 6.594 1.00 0.00 H new ATOM 0 HB2 CYS A 131 0.626 -0.762 6.537 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -0.356 -0.994 5.104 1.00 0.00 H new ATOM 0 HG CYS A 131 -0.106 1.744 6.696 1.00 0.00 H new ATOM 828 N LYS A 132 0.593 -3.479 6.770 1.00 0.00 N ATOM 829 CA LYS A 132 1.343 -4.726 6.542 1.00 0.00 C ATOM 830 C LYS A 132 0.609 -6.061 6.335 1.00 0.00 C ATOM 831 O LYS A 132 0.272 -6.799 7.263 1.00 0.00 O ATOM 832 CB LYS A 132 2.495 -4.851 7.543 1.00 0.00 C ATOM 833 CG LYS A 132 2.015 -4.839 8.997 1.00 0.00 C ATOM 834 CD LYS A 132 3.013 -5.560 9.897 1.00 0.00 C ATOM 835 CE LYS A 132 2.278 -6.411 10.943 1.00 0.00 C ATOM 836 NZ LYS A 132 2.117 -7.781 10.434 1.00 0.00 N ATOM 0 H LYS A 132 1.174 -2.765 7.209 1.00 0.00 H new ATOM 0 HA LYS A 132 1.697 -4.570 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 132 3.039 -5.776 7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.196 -4.031 7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 132 1.889 -3.811 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 132 1.039 -5.320 9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 132 3.662 -6.195 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 132 3.653 -4.832 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 132 2.839 -6.422 11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 132 1.303 -5.976 11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 1.619 -8.358 11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 1.565 -7.761 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 3.053 -8.194 10.247 1.00 0.00 H new ATOM 837 N ARG A 133 0.319 -6.267 5.058 1.00 0.00 N ATOM 838 CA ARG A 133 -0.257 -7.525 4.568 1.00 0.00 C ATOM 839 C ARG A 133 0.481 -8.135 3.361 1.00 0.00 C ATOM 840 O ARG A 133 1.575 -7.689 3.040 1.00 0.00 O ATOM 841 CB ARG A 133 -1.762 -7.302 4.335 1.00 0.00 C ATOM 842 CG ARG A 133 -2.494 -8.434 5.063 1.00 0.00 C ATOM 843 CD ARG A 133 -2.989 -7.992 6.443 1.00 0.00 C ATOM 844 NE ARG A 133 -4.201 -7.152 6.313 1.00 0.00 N ATOM 845 CZ ARG A 133 -5.407 -7.412 6.820 1.00 0.00 C ATOM 846 NH1 ARG A 133 -5.629 -8.414 7.655 1.00 0.00 N ATOM 847 NH2 ARG A 133 -6.409 -6.569 6.627 1.00 0.00 N ATOM 0 H ARG A 133 0.474 -5.572 4.328 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.122 -8.293 5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -2.073 -6.330 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -1.994 -7.313 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -3.340 -8.766 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.826 -9.288 5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -3.209 -8.867 7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.206 -7.434 6.956 1.00 0.00 H new ATOM 0 HE ARG A 133 -4.104 -6.287 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -4.861 -9.024 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -6.568 -8.576 8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -6.261 -5.716 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -7.329 -6.773 7.017 1.00 0.00 H new ATOM 848 N GLY A 134 -0.242 -8.924 2.564 1.00 0.00 N ATOM 849 CA GLY A 134 0.307 -9.892 1.599 1.00 0.00 C ATOM 850 C GLY A 134 -0.730 -10.973 1.253 1.00 0.00 C ATOM 851 O GLY A 134 -1.694 -10.661 0.548 1.00 0.00 O ATOM 0 H GLY A 134 -1.262 -8.910 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 134 0.613 -9.372 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.200 -10.359 2.015 1.00 0.00 H new ATOM 852 N PRO A 135 -0.707 -12.159 1.891 1.00 0.00 N ATOM 853 CA PRO A 135 -1.507 -13.306 1.427 1.00 0.00 C ATOM 854 C PRO A 135 -3.034 -13.175 1.561 1.00 0.00 C ATOM 855 O PRO A 135 -3.778 -13.584 0.683 1.00 0.00 O ATOM 856 CB PRO A 135 -0.869 -14.499 2.144 1.00 0.00 C ATOM 857 CG PRO A 135 -0.512 -13.905 3.498 1.00 0.00 C ATOM 858 CD PRO A 135 -0.088 -12.464 3.189 1.00 0.00 C ATOM 0 HA PRO A 135 -1.466 -13.411 0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -1.561 -15.336 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 135 0.010 -14.869 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.363 -13.930 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 135 0.295 -14.462 3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.431 -11.777 3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 135 0.997 -12.373 3.141 1.00 0.00 H new ATOM 859 N ARG A 136 -3.433 -12.382 2.550 1.00 0.00 N ATOM 860 CA ARG A 136 -4.840 -12.075 2.844 1.00 0.00 C ATOM 861 C ARG A 136 -5.443 -11.033 1.883 1.00 0.00 C ATOM 862 O ARG A 136 -6.642 -11.072 1.611 1.00 0.00 O ATOM 863 CB ARG A 136 -4.798 -11.634 4.297 1.00 0.00 C ATOM 864 CG ARG A 136 -6.156 -11.597 4.999 1.00 0.00 C ATOM 865 CD ARG A 136 -6.815 -10.232 4.846 1.00 0.00 C ATOM 866 NE ARG A 136 -8.052 -10.218 5.636 1.00 0.00 N ATOM 867 CZ ARG A 136 -8.913 -9.210 5.706 1.00 0.00 C ATOM 868 NH1 ARG A 136 -8.575 -7.989 5.307 1.00 0.00 N ATOM 869 NH2 ARG A 136 -10.042 -9.347 6.371 1.00 0.00 N ATOM 0 H ARG A 136 -2.780 -11.923 3.185 1.00 0.00 H new ATOM 0 HA ARG A 136 -5.506 -12.925 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.140 -12.307 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.352 -10.640 4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -6.806 -12.367 4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.028 -11.826 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.140 -9.446 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -7.034 -10.033 3.797 1.00 0.00 H new ATOM 0 HE ARG A 136 -8.269 -11.055 6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -7.640 -7.813 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -9.250 -7.227 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -10.257 -10.230 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -10.701 -8.570 6.423 1.00 0.00 H new ATOM 870 N THR A 137 -4.588 -10.252 1.228 1.00 0.00 N ATOM 871 CA THR A 137 -5.019 -9.065 0.470 1.00 0.00 C ATOM 872 C THR A 137 -5.084 -9.299 -1.038 1.00 0.00 C ATOM 873 O THR A 137 -4.186 -8.973 -1.806 1.00 0.00 O ATOM 874 CB THR A 137 -4.147 -7.856 0.825 1.00 0.00 C ATOM 875 OG1 THR A 137 -2.771 -8.211 0.909 1.00 0.00 O ATOM 876 CG2 THR A 137 -4.699 -7.202 2.087 1.00 0.00 C ATOM 0 H THR A 137 -3.582 -10.416 1.203 1.00 0.00 H new ATOM 0 HA THR A 137 -6.045 -8.852 0.772 1.00 0.00 H new ATOM 0 HB THR A 137 -4.190 -7.114 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.250 -7.647 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 137 -4.085 -6.340 2.348 1.00 0.00 H new ATOM 0 HG22 THR A 137 -5.724 -6.877 1.910 1.00 0.00 H new ATOM 0 HG23 THR A 137 -4.683 -7.921 2.906 1.00 0.00 H new ATOM 877 N HIS A 138 -6.179 -9.988 -1.372 1.00 0.00 N ATOM 878 CA HIS A 138 -6.555 -10.292 -2.758 1.00 0.00 C ATOM 879 C HIS A 138 -7.924 -9.683 -3.105 1.00 0.00 C ATOM 880 O HIS A 138 -8.648 -9.163 -2.252 1.00 0.00 O ATOM 881 CB HIS A 138 -6.545 -11.810 -2.996 1.00 0.00 C ATOM 882 CG HIS A 138 -7.510 -12.576 -2.071 1.00 0.00 C ATOM 883 ND1 HIS A 138 -7.232 -12.983 -0.842 1.00 0.00 N ATOM 884 CD2 HIS A 138 -8.817 -12.721 -2.269 1.00 0.00 C ATOM 885 CE1 HIS A 138 -8.382 -13.314 -0.249 1.00 0.00 C ATOM 886 NE2 HIS A 138 -9.351 -13.152 -1.127 1.00 0.00 N ATOM 0 H HIS A 138 -6.836 -10.354 -0.683 1.00 0.00 H new ATOM 0 HA HIS A 138 -5.817 -9.840 -3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -6.811 -12.010 -4.034 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -5.533 -12.188 -2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -9.349 -12.525 -3.188 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -8.497 -13.654 0.770 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -10.342 -13.327 -0.961 1.00 0.00 H new ATOM 887 N TYR A 139 -8.166 -9.583 -4.404 1.00 0.00 N ATOM 888 CA TYR A 139 -9.464 -9.163 -4.969 1.00 0.00 C ATOM 889 C TYR A 139 -10.701 -9.832 -4.357 1.00 0.00 C ATOM 890 O TYR A 139 -10.899 -11.042 -4.444 1.00 0.00 O ATOM 891 CB TYR A 139 -9.490 -9.304 -6.494 1.00 0.00 C ATOM 892 CG TYR A 139 -9.615 -7.966 -7.230 1.00 0.00 C ATOM 893 CD1 TYR A 139 -10.115 -6.797 -6.601 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.166 -7.936 -8.571 1.00 0.00 C ATOM 895 CE1 TYR A 139 -10.139 -5.583 -7.311 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.190 -6.721 -9.281 1.00 0.00 C ATOM 897 CZ TYR A 139 -9.668 -5.557 -8.651 1.00 0.00 C ATOM 898 OH TYR A 139 -9.577 -4.376 -9.309 1.00 0.00 O ATOM 0 H TYR A 139 -7.464 -9.792 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.536 -8.111 -4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.579 -9.805 -6.820 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -10.325 -9.945 -6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.475 -6.839 -5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -8.808 -8.837 -9.046 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -10.510 -4.683 -6.844 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.844 -6.682 -10.303 1.00 0.00 H new ATOM 0 HH TYR A 139 -8.875 -3.827 -8.901 1.00 0.00 H new ATOM 899 N GLY A 140 -11.375 -8.988 -3.586 1.00 0.00 N ATOM 900 CA GLY A 140 -12.594 -9.338 -2.833 1.00 0.00 C ATOM 901 C GLY A 140 -12.519 -8.691 -1.451 1.00 0.00 C ATOM 902 O GLY A 140 -13.448 -8.011 -1.013 1.00 0.00 O ATOM 0 H GLY A 140 -11.091 -8.017 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -13.480 -8.991 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -12.682 -10.420 -2.739 1.00 0.00 H new ATOM 903 N GLN A 141 -11.314 -8.733 -0.879 1.00 0.00 N ATOM 904 CA GLN A 141 -11.011 -8.079 0.404 1.00 0.00 C ATOM 905 C GLN A 141 -11.009 -6.582 0.232 1.00 0.00 C ATOM 906 O GLN A 141 -10.203 -5.977 -0.479 1.00 0.00 O ATOM 907 CB GLN A 141 -9.632 -8.521 0.878 1.00 0.00 C ATOM 908 CG GLN A 141 -9.477 -10.048 0.920 1.00 0.00 C ATOM 909 CD GLN A 141 -10.280 -10.686 2.058 1.00 0.00 C ATOM 910 OE1 GLN A 141 -11.498 -10.844 2.032 1.00 0.00 O ATOM 911 NE2 GLN A 141 -9.574 -11.072 3.084 1.00 0.00 N ATOM 0 H GLN A 141 -10.518 -9.221 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 141 -11.770 -8.359 1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -8.874 -8.102 0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.447 -8.114 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.802 -10.470 -0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -8.423 -10.300 1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -8.564 -10.933 3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -10.032 -11.513 3.882 1.00 0.00 H new ATOM 912 N LYS A 142 -11.936 -6.022 0.984 1.00 0.00 N ATOM 913 CA LYS A 142 -12.104 -4.564 1.173 1.00 0.00 C ATOM 914 C LYS A 142 -10.780 -3.854 1.498 1.00 0.00 C ATOM 915 O LYS A 142 -10.549 -2.735 1.047 1.00 0.00 O ATOM 916 CB LYS A 142 -13.107 -4.372 2.295 1.00 0.00 C ATOM 917 CG LYS A 142 -14.431 -5.022 1.927 1.00 0.00 C ATOM 918 CD LYS A 142 -15.423 -4.902 3.089 1.00 0.00 C ATOM 919 CE LYS A 142 -16.789 -5.452 2.707 1.00 0.00 C ATOM 920 NZ LYS A 142 -17.374 -4.571 1.678 1.00 0.00 N ATOM 0 H LYS A 142 -12.622 -6.571 1.503 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.458 -4.116 0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -12.722 -4.809 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.255 -3.309 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -14.843 -4.546 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -14.273 -6.072 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -15.040 -5.442 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -15.518 -3.857 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -16.696 -6.469 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -17.438 -5.497 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -18.404 -4.711 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -17.167 -3.579 1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -16.964 -4.801 0.750 1.00 0.00 H new ATOM 921 N ALA A 143 -9.865 -4.620 2.111 1.00 0.00 N ATOM 922 CA ALA A 143 -8.477 -4.251 2.430 1.00 0.00 C ATOM 923 C ALA A 143 -7.645 -3.670 1.282 1.00 0.00 C ATOM 924 O ALA A 143 -6.703 -2.931 1.553 1.00 0.00 O ATOM 925 CB ALA A 143 -7.754 -5.468 3.025 1.00 0.00 C ATOM 0 H ALA A 143 -10.086 -5.568 2.415 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.564 -3.432 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.725 -5.199 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.265 -5.787 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.758 -6.283 2.301 1.00 0.00 H new ATOM 926 N ILE A 144 -8.005 -4.003 0.046 1.00 0.00 N ATOM 927 CA ILE A 144 -7.254 -3.592 -1.163 1.00 0.00 C ATOM 928 C ILE A 144 -7.883 -2.414 -1.942 1.00 0.00 C ATOM 929 O ILE A 144 -7.261 -1.880 -2.850 1.00 0.00 O ATOM 930 CB ILE A 144 -6.960 -4.801 -2.086 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.199 -5.340 -2.779 1.00 0.00 C ATOM 932 CG2 ILE A 144 -6.168 -5.839 -1.279 1.00 0.00 C ATOM 933 CD1 ILE A 144 -7.794 -6.235 -3.943 1.00 0.00 C ATOM 0 H ILE A 144 -8.829 -4.568 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.305 -3.204 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.342 -4.484 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.807 -5.903 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.813 -4.515 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -5.949 -6.701 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.234 -5.396 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.757 -6.159 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -8.688 -6.618 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.205 -5.659 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.199 -7.069 -3.571 1.00 0.00 H new ATOM 934 N LEU A 145 -9.035 -1.940 -1.485 1.00 0.00 N ATOM 935 CA LEU A 145 -9.818 -0.889 -2.177 1.00 0.00 C ATOM 936 C LEU A 145 -9.437 0.542 -1.734 1.00 0.00 C ATOM 937 O LEU A 145 -10.138 1.198 -0.959 1.00 0.00 O ATOM 938 CB LEU A 145 -11.319 -1.161 -2.001 1.00 0.00 C ATOM 939 CG LEU A 145 -11.865 -2.182 -3.012 1.00 0.00 C ATOM 940 CD1 LEU A 145 -11.518 -3.624 -2.656 1.00 0.00 C ATOM 941 CD2 LEU A 145 -13.384 -2.040 -3.080 1.00 0.00 C ATOM 0 H LEU A 145 -9.466 -2.267 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 145 -9.570 -0.937 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.501 -1.526 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.867 -0.225 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 145 -11.397 -1.968 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -11.932 -4.294 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -10.435 -3.740 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -11.939 -3.869 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -13.785 -2.759 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -13.812 -2.229 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -13.641 -1.030 -3.399 1.00 0.00 H new ATOM 942 N PHE A 146 -8.295 0.991 -2.248 1.00 0.00 N ATOM 943 CA PHE A 146 -7.702 2.291 -1.880 1.00 0.00 C ATOM 944 C PHE A 146 -8.150 3.501 -2.684 1.00 0.00 C ATOM 945 O PHE A 146 -8.349 3.472 -3.895 1.00 0.00 O ATOM 946 CB PHE A 146 -6.176 2.243 -1.982 1.00 0.00 C ATOM 947 CG PHE A 146 -5.564 1.368 -0.895 1.00 0.00 C ATOM 948 CD1 PHE A 146 -5.748 -0.028 -0.945 1.00 0.00 C ATOM 949 CD2 PHE A 146 -4.816 1.968 0.149 1.00 0.00 C ATOM 950 CE1 PHE A 146 -5.184 -0.845 0.040 1.00 0.00 C ATOM 951 CE2 PHE A 146 -4.239 1.147 1.130 1.00 0.00 C ATOM 952 CZ PHE A 146 -4.430 -0.258 1.066 1.00 0.00 C ATOM 0 H PHE A 146 -7.748 0.470 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.064 2.431 -0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -5.889 1.860 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -5.774 3.253 -1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -6.325 -0.468 -1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -4.692 3.040 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -5.327 -1.915 0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -3.654 1.581 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 146 -3.986 -0.887 1.823 1.00 0.00 H new ATOM 953 N LEU A 147 -8.153 4.607 -1.970 1.00 0.00 N ATOM 954 CA LEU A 147 -8.317 5.960 -2.524 1.00 0.00 C ATOM 955 C LEU A 147 -7.014 6.758 -2.405 1.00 0.00 C ATOM 956 O LEU A 147 -6.569 7.027 -1.285 1.00 0.00 O ATOM 957 CB LEU A 147 -9.467 6.669 -1.818 1.00 0.00 C ATOM 958 CG LEU A 147 -10.748 6.062 -2.375 1.00 0.00 C ATOM 959 CD1 LEU A 147 -11.651 5.682 -1.216 1.00 0.00 C ATOM 960 CD2 LEU A 147 -11.404 7.022 -3.373 1.00 0.00 C ATOM 0 H LEU A 147 -8.039 4.603 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 147 -8.557 5.884 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -9.407 6.528 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.433 7.743 -2.002 1.00 0.00 H new ATOM 0 HG LEU A 147 -10.534 5.152 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -12.573 5.246 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -11.143 4.956 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -11.887 6.571 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -12.318 6.574 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -11.644 7.960 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -10.717 7.217 -4.196 1.00 0.00 H new ATOM 961 N PRO A 148 -6.326 6.951 -3.534 1.00 0.00 N ATOM 962 CA PRO A 148 -5.100 7.768 -3.606 1.00 0.00 C ATOM 963 C PRO A 148 -5.342 9.230 -3.217 1.00 0.00 C ATOM 964 O PRO A 148 -6.148 9.931 -3.821 1.00 0.00 O ATOM 965 CB PRO A 148 -4.652 7.692 -5.066 1.00 0.00 C ATOM 966 CG PRO A 148 -5.145 6.316 -5.496 1.00 0.00 C ATOM 967 CD PRO A 148 -6.487 6.156 -4.767 1.00 0.00 C ATOM 0 HA PRO A 148 -4.353 7.392 -2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.094 8.487 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -3.570 7.783 -5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.269 6.257 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.441 5.534 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -7.315 6.524 -5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -6.696 5.110 -4.542 1.00 0.00 H new ATOM 968 N LEU A 149 -4.685 9.605 -2.129 1.00 0.00 N ATOM 969 CA LEU A 149 -4.551 11.026 -1.745 1.00 0.00 C ATOM 970 C LEU A 149 -3.076 11.416 -1.917 1.00 0.00 C ATOM 971 O LEU A 149 -2.276 11.127 -1.028 1.00 0.00 O ATOM 972 CB LEU A 149 -5.040 11.294 -0.312 1.00 0.00 C ATOM 973 CG LEU A 149 -6.561 11.375 -0.122 1.00 0.00 C ATOM 974 CD1 LEU A 149 -7.187 12.445 -1.030 1.00 0.00 C ATOM 975 CD2 LEU A 149 -7.254 10.023 -0.283 1.00 0.00 C ATOM 0 H LEU A 149 -4.232 8.954 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.184 11.638 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -4.655 10.506 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.601 12.231 0.031 1.00 0.00 H new ATOM 0 HG LEU A 149 -6.725 11.679 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -8.265 12.474 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.758 13.419 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -6.983 12.202 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -8.327 10.145 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -7.065 9.634 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -6.864 9.324 0.457 1.00 0.00 H new ATOM 976 N PRO A 150 -2.696 11.887 -3.123 1.00 0.00 N ATOM 977 CA PRO A 150 -1.280 12.118 -3.495 1.00 0.00 C ATOM 978 C PRO A 150 -0.656 13.169 -2.573 1.00 0.00 C ATOM 979 O PRO A 150 -0.928 14.359 -2.692 1.00 0.00 O ATOM 980 CB PRO A 150 -1.319 12.587 -4.951 1.00 0.00 C ATOM 981 CG PRO A 150 -2.669 12.089 -5.469 1.00 0.00 C ATOM 982 CD PRO A 150 -3.585 12.237 -4.249 1.00 0.00 C ATOM 0 HA PRO A 150 -0.667 11.223 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -1.241 13.672 -5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -0.493 12.169 -5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -3.021 12.683 -6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -2.614 11.055 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -3.974 13.251 -4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -4.445 11.570 -4.307 1.00 0.00 H new ATOM 983 N VAL A 151 0.152 12.676 -1.625 1.00 0.00 N ATOM 984 CA VAL A 151 0.819 13.497 -0.589 1.00 0.00 C ATOM 985 C VAL A 151 1.950 14.354 -1.171 1.00 0.00 C ATOM 986 O VAL A 151 3.137 14.062 -1.035 1.00 0.00 O ATOM 987 CB VAL A 151 1.302 12.697 0.635 1.00 0.00 C ATOM 988 CG1 VAL A 151 0.135 12.290 1.527 1.00 0.00 C ATOM 989 CG2 VAL A 151 2.198 11.495 0.283 1.00 0.00 C ATOM 0 H VAL A 151 0.368 11.682 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 151 0.040 14.165 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 151 1.942 13.376 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.510 11.727 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.382 13.182 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -0.558 11.669 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 151 2.497 10.983 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.646 10.805 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 151 3.086 11.845 -0.243 1.00 0.00 H new ATOM 990 N SER A 152 1.529 15.335 -1.937 1.00 0.00 N ATOM 991 CA SER A 152 2.419 16.291 -2.613 1.00 0.00 C ATOM 992 C SER A 152 2.727 17.471 -1.704 1.00 0.00 C ATOM 993 O SER A 152 1.993 18.453 -1.620 1.00 0.00 O ATOM 994 CB SER A 152 1.763 16.767 -3.911 1.00 0.00 C ATOM 995 OG SER A 152 1.496 15.643 -4.750 1.00 0.00 O ATOM 0 H SER A 152 0.540 15.506 -2.120 1.00 0.00 H new ATOM 0 HA SER A 152 3.361 15.796 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 152 0.837 17.297 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 152 2.418 17.471 -4.425 1.00 0.00 H new ATOM 0 HG SER A 152 1.075 15.948 -5.581 1.00 0.00 H new ATOM 996 N SER A 153 3.799 17.282 -0.939 1.00 0.00 N ATOM 997 CA SER A 153 4.302 18.269 0.032 1.00 0.00 C ATOM 998 C SER A 153 5.008 19.427 -0.702 1.00 0.00 C ATOM 999 O SER A 153 6.232 19.484 -0.828 1.00 0.00 O ATOM 1000 CB SER A 153 5.255 17.603 1.036 1.00 0.00 C ATOM 1001 OG SER A 153 4.615 16.477 1.640 1.00 0.00 O ATOM 0 H SER A 153 4.356 16.428 -0.971 1.00 0.00 H new ATOM 0 HA SER A 153 3.455 18.674 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 153 6.167 17.286 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.549 18.320 1.803 1.00 0.00 H new ATOM 0 HG SER A 153 4.765 15.681 1.088 1.00 0.00 H new ATOM 1002 N ASP A 154 4.172 20.214 -1.368 1.00 0.00 N ATOM 1003 CA ASP A 154 4.593 21.400 -2.163 1.00 0.00 C ATOM 1004 C ASP A 154 3.489 22.462 -2.306 1.00 0.00 C ATOM 1005 O ASP A 154 2.310 22.040 -2.350 1.00 0.00 O ATOM 1006 CB ASP A 154 5.151 20.976 -3.525 1.00 0.00 C ATOM 1007 CG ASP A 154 4.225 20.047 -4.337 1.00 0.00 C ATOM 1008 OD1 ASP A 154 3.289 20.592 -4.950 1.00 0.00 O ATOM 1009 OD2 ASP A 154 4.452 18.812 -4.280 1.00 0.00 O ATOM 1010 OXT ASP A 154 3.851 23.654 -2.314 1.00 0.00 O ATOM 0 H ASP A 154 3.164 20.059 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 154 5.392 21.882 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 154 5.354 21.870 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 154 6.105 20.472 -3.371 1.00 0.00 H new TER 1011 ASP A 154