USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 966 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 96 ASN : amide:sc= 0.899 K(o=2.6,f=-2.2) USER MOD Set 1.2: A 114 SER OG : rot 43:sc= 0.725 USER MOD Set 1.3: A 115 SER OG : rot -143:sc= 0.984 USER MOD Set 2.1: A 99 HIS : no HD1:sc= 1.57 K(o=2,f=-4!) USER MOD Set 2.2: A 112 SER OG : rot -86:sc= 0.448 USER MOD Set 3.1: A 38 THR OG1 : rot 180:sc= 0.969 USER MOD Set 3.2: A 51 GLN : amide:sc= 1.58 K(o=2.6,f=-2.6!) USER MOD Single : A 3 THR OG1 : rot 160:sc= -2.53! USER MOD Single : A 5 LYS NZ :NH3+ 145:sc= 1.2 (180deg=1.1) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.03 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0851 USER MOD Single : A 13 ASN : amide:sc= 0.345 K(o=0.34,f=-1.8!) USER MOD Single : A 14 TYR OH : rot -19:sc= 1.06 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -155:sc= -0.131 (180deg=-0.507) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 148:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.569 K(o=0.57,f=-3.4!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.0088) USER MOD Single : A 45 ASN : amide:sc= -0.875 X(o=-0.87,f=-1.3) USER MOD Single : A 48 THR OG1 : rot -90:sc= -1.38! USER MOD Single : A 50 THR OG1 : rot 85:sc= 0.475 USER MOD Single : A 52 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.028) USER MOD Single : A 58 THR OG1 : rot 32:sc= 0.436 USER MOD Single : A 59 THR OG1 : rot 75:sc= -0.425 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 61 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.9!) USER MOD Single : A 62 SER OG : rot 46:sc= 0.0599 USER MOD Single : A 64 THR OG1 : rot 28:sc= 0.637 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -171:sc= -1.66 (180deg=-1.77) USER MOD Single : A 73 THR OG1 : rot 140:sc= -0.77 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.14) USER MOD Single : A 80 LYS NZ :NH3+ -138:sc= 1.02 (180deg=-1.23!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -172:sc= -1.21 (180deg=-1.57) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 1.16 (180deg=1.15) USER MOD Single : A 97 TYR OH : rot 0:sc= -0.125 USER MOD Single : A 98 HIS : no HD1:sc=-0.00338 X(o=-0.0034,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -100:sc= 1.27 (180deg=-0.714) USER MOD Single : A 113 THR OG1 : rot 162:sc= -0.413 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.17) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.17) USER MOD Single : A 125 LYS NZ :NH3+ -154:sc= 0.261 (180deg=-0.921!) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -11.786 -7.113 -3.397 1.00 0.35 N ATOM 12 CA PHE A 2 -10.805 -6.509 -2.501 1.00 0.27 C ATOM 13 C PHE A 2 -10.666 -7.289 -1.197 1.00 0.23 C ATOM 14 O PHE A 2 -9.556 -7.480 -0.708 1.00 0.25 O ATOM 15 CB PHE A 2 -11.186 -5.059 -2.202 1.00 0.33 C ATOM 16 CG PHE A 2 -11.043 -4.146 -3.386 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.824 -3.558 -3.680 1.00 1.22 C ATOM 18 CD2 PHE A 2 -12.128 -3.875 -4.206 1.00 1.24 C ATOM 19 CE1 PHE A 2 -9.687 -2.721 -4.769 1.00 1.23 C ATOM 20 CE2 PHE A 2 -11.998 -3.039 -5.294 1.00 1.24 C ATOM 21 CZ PHE A 2 -10.776 -2.461 -5.574 1.00 0.36 C ATOM 0 HA PHE A 2 -9.840 -6.536 -3.008 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.218 -5.028 -1.851 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.562 -4.688 -1.389 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.970 -3.757 -3.049 1.00 1.22 H new ATOM 0 HD2 PHE A 2 -13.086 -4.324 -3.990 1.00 1.24 H new ATOM 0 HE1 PHE A 2 -8.730 -2.271 -4.990 1.00 1.23 H new ATOM 0 HE2 PHE A 2 -12.850 -2.837 -5.926 1.00 1.24 H new ATOM 0 HZ PHE A 2 -10.673 -1.804 -6.425 1.00 0.36 H new ATOM 31 N THR A 3 -11.792 -7.735 -0.646 1.00 0.20 N ATOM 32 CA THR A 3 -11.803 -8.482 0.603 1.00 0.19 C ATOM 33 C THR A 3 -10.902 -9.712 0.550 1.00 0.19 C ATOM 34 O THR A 3 -10.806 -10.393 -0.476 1.00 0.26 O ATOM 35 CB THR A 3 -13.226 -8.934 0.952 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.166 -7.937 0.525 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.349 -9.170 2.449 1.00 0.26 C ATOM 0 H THR A 3 -12.716 -7.589 -1.052 1.00 0.20 H new ATOM 0 HA THR A 3 -11.423 -7.806 1.369 1.00 0.19 H new ATOM 0 HB THR A 3 -13.442 -9.870 0.437 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.056 -8.339 0.447 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.364 -9.491 2.685 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.644 -9.943 2.755 1.00 0.26 H new ATOM 0 HG23 THR A 3 -13.127 -8.246 2.982 1.00 0.26 H new ATOM 45 N GLY A 4 -10.248 -9.993 1.665 1.00 0.19 N ATOM 46 CA GLY A 4 -9.373 -11.135 1.731 1.00 0.21 C ATOM 47 C GLY A 4 -7.957 -10.743 2.076 1.00 0.19 C ATOM 48 O GLY A 4 -7.646 -9.561 2.191 1.00 0.21 O ATOM 0 H GLY A 4 -10.310 -9.448 2.525 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.747 -11.836 2.477 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.382 -11.655 0.773 1.00 0.21 H new ATOM 52 N LYS A 5 -7.105 -11.734 2.261 1.00 0.20 N ATOM 53 CA LYS A 5 -5.711 -11.475 2.575 1.00 0.20 C ATOM 54 C LYS A 5 -4.883 -11.604 1.297 1.00 0.18 C ATOM 55 O LYS A 5 -5.182 -12.437 0.439 1.00 0.19 O ATOM 56 CB LYS A 5 -5.211 -12.418 3.686 1.00 0.23 C ATOM 57 CG LYS A 5 -4.425 -13.624 3.196 1.00 0.28 C ATOM 58 CD LYS A 5 -4.352 -14.723 4.246 1.00 0.31 C ATOM 59 CE LYS A 5 -3.474 -14.327 5.423 1.00 0.56 C ATOM 60 NZ LYS A 5 -4.251 -14.205 6.688 1.00 1.54 N ATOM 0 H LYS A 5 -7.351 -12.722 2.200 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.603 -10.461 2.959 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.584 -11.848 4.371 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.070 -12.770 4.258 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.890 -14.017 2.292 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.416 -13.313 2.926 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -5.356 -14.951 4.603 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.961 -15.633 3.792 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.686 -15.069 5.552 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -2.985 -13.377 5.206 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -3.665 -14.520 7.487 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -4.527 -13.213 6.832 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -5.104 -14.797 6.630 1.00 1.54 H new ATOM 74 N TYR A 6 -3.875 -10.762 1.157 1.00 0.19 N ATOM 75 CA TYR A 6 -3.030 -10.775 -0.025 1.00 0.19 C ATOM 76 C TYR A 6 -1.568 -10.911 0.365 1.00 0.19 C ATOM 77 O TYR A 6 -1.138 -10.354 1.367 1.00 0.23 O ATOM 78 CB TYR A 6 -3.226 -9.484 -0.831 1.00 0.22 C ATOM 79 CG TYR A 6 -4.509 -9.436 -1.627 1.00 0.23 C ATOM 80 CD1 TYR A 6 -5.678 -8.942 -1.068 1.00 1.14 C ATOM 81 CD2 TYR A 6 -4.542 -9.875 -2.943 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.848 -8.890 -1.803 1.00 1.13 C ATOM 83 CE2 TYR A 6 -5.703 -9.824 -3.682 1.00 1.29 C ATOM 84 CZ TYR A 6 -6.854 -9.334 -3.110 1.00 0.35 C ATOM 85 OH TYR A 6 -8.010 -9.290 -3.848 1.00 0.44 O ATOM 0 H TYR A 6 -3.620 -10.058 1.850 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.315 -11.630 -0.638 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -3.205 -8.636 -0.147 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.384 -9.364 -1.513 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -5.675 -8.594 -0.046 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -3.642 -10.263 -3.396 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -7.753 -8.504 -1.357 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -5.710 -10.167 -4.706 1.00 1.29 H new ATOM 0 HH TYR A 6 -7.838 -9.639 -4.747 1.00 0.44 H new ATOM 95 N GLU A 7 -0.808 -11.655 -0.421 1.00 0.19 N ATOM 96 CA GLU A 7 0.611 -11.841 -0.150 1.00 0.21 C ATOM 97 C GLU A 7 1.443 -11.322 -1.305 1.00 0.19 C ATOM 98 O GLU A 7 1.058 -11.466 -2.467 1.00 0.22 O ATOM 99 CB GLU A 7 0.938 -13.310 0.106 1.00 0.26 C ATOM 100 CG GLU A 7 0.757 -13.722 1.558 1.00 0.33 C ATOM 101 CD GLU A 7 1.111 -15.170 1.808 1.00 0.59 C ATOM 102 OE1 GLU A 7 2.305 -15.521 1.719 1.00 1.20 O ATOM 103 OE2 GLU A 7 0.202 -15.967 2.109 1.00 1.41 O ATOM 0 H GLU A 7 -1.148 -12.140 -1.251 1.00 0.19 H new ATOM 0 HA GLU A 7 0.854 -11.274 0.749 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.301 -13.932 -0.523 1.00 0.26 H new ATOM 0 HB3 GLU A 7 1.968 -13.503 -0.194 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.378 -13.087 2.190 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.278 -13.550 1.853 1.00 0.33 H new ATOM 110 N PHE A 8 2.572 -10.706 -0.968 1.00 0.23 N ATOM 111 CA PHE A 8 3.493 -10.143 -1.951 1.00 0.25 C ATOM 112 C PHE A 8 3.806 -11.146 -3.062 1.00 0.24 C ATOM 113 O PHE A 8 4.369 -12.214 -2.809 1.00 0.33 O ATOM 114 CB PHE A 8 4.794 -9.719 -1.261 1.00 0.33 C ATOM 115 CG PHE A 8 5.528 -8.624 -1.975 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.203 -8.872 -3.160 1.00 1.55 C ATOM 117 CD2 PHE A 8 5.549 -7.342 -1.451 1.00 1.32 C ATOM 118 CE1 PHE A 8 6.881 -7.863 -3.812 1.00 1.86 C ATOM 119 CE2 PHE A 8 6.229 -6.329 -2.095 1.00 1.57 C ATOM 120 CZ PHE A 8 6.897 -6.587 -3.277 1.00 1.49 C ATOM 0 H PHE A 8 2.875 -10.583 -0.002 1.00 0.23 H new ATOM 0 HA PHE A 8 3.013 -9.274 -2.402 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.566 -9.390 -0.247 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.448 -10.587 -1.175 1.00 0.33 H new ATOM 0 HD1 PHE A 8 6.198 -9.868 -3.578 1.00 1.55 H new ATOM 0 HD2 PHE A 8 5.028 -7.133 -0.529 1.00 1.32 H new ATOM 0 HE1 PHE A 8 7.398 -8.068 -4.738 1.00 1.86 H new ATOM 0 HE2 PHE A 8 6.239 -5.334 -1.675 1.00 1.57 H new ATOM 0 HZ PHE A 8 7.430 -5.795 -3.782 1.00 1.49 H new ATOM 130 N GLU A 9 3.444 -10.790 -4.287 1.00 0.25 N ATOM 131 CA GLU A 9 3.682 -11.651 -5.435 1.00 0.26 C ATOM 132 C GLU A 9 4.751 -11.063 -6.350 1.00 0.28 C ATOM 133 O GLU A 9 5.705 -11.747 -6.729 1.00 0.34 O ATOM 134 CB GLU A 9 2.385 -11.855 -6.225 1.00 0.27 C ATOM 135 CG GLU A 9 2.553 -12.761 -7.430 1.00 0.35 C ATOM 136 CD GLU A 9 2.262 -14.208 -7.109 1.00 0.61 C ATOM 137 OE1 GLU A 9 3.039 -14.824 -6.344 1.00 1.46 O ATOM 138 OE2 GLU A 9 1.251 -14.731 -7.615 1.00 1.19 O ATOM 0 H GLU A 9 2.983 -9.908 -4.511 1.00 0.25 H new ATOM 0 HA GLU A 9 4.034 -12.613 -5.063 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.628 -12.277 -5.564 1.00 0.27 H new ATOM 0 HB3 GLU A 9 2.014 -10.886 -6.557 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.888 -12.428 -8.227 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.572 -12.673 -7.808 1.00 0.35 H new ATOM 145 N SER A 10 4.592 -9.795 -6.708 1.00 0.26 N ATOM 146 CA SER A 10 5.542 -9.134 -7.593 1.00 0.29 C ATOM 147 C SER A 10 5.609 -7.637 -7.322 1.00 0.27 C ATOM 148 O SER A 10 4.749 -7.081 -6.634 1.00 0.32 O ATOM 149 CB SER A 10 5.124 -9.361 -9.041 1.00 0.34 C ATOM 150 OG SER A 10 5.000 -10.745 -9.331 1.00 1.01 O ATOM 0 H SER A 10 3.818 -9.206 -6.401 1.00 0.26 H new ATOM 0 HA SER A 10 6.529 -9.559 -7.409 1.00 0.29 H new ATOM 0 HB2 SER A 10 4.174 -8.861 -9.230 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.859 -8.912 -9.709 1.00 0.34 H new ATOM 0 HG SER A 10 4.729 -10.860 -10.266 1.00 1.01 H new ATOM 156 N ASP A 11 6.618 -6.990 -7.895 1.00 0.28 N ATOM 157 CA ASP A 11 6.808 -5.558 -7.741 1.00 0.28 C ATOM 158 C ASP A 11 7.525 -5.001 -8.958 1.00 0.28 C ATOM 159 O ASP A 11 8.183 -5.738 -9.700 1.00 0.34 O ATOM 160 CB ASP A 11 7.598 -5.228 -6.470 1.00 0.32 C ATOM 161 CG ASP A 11 9.089 -5.508 -6.590 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.827 -4.645 -7.120 1.00 1.72 O ATOM 163 OD2 ASP A 11 9.529 -6.583 -6.137 1.00 1.71 O ATOM 0 H ASP A 11 7.323 -7.444 -8.476 1.00 0.28 H new ATOM 0 HA ASP A 11 5.825 -5.095 -7.651 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.453 -4.176 -6.225 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.194 -5.807 -5.640 1.00 0.32 H new ATOM 168 N GLU A 12 7.389 -3.707 -9.164 1.00 0.26 N ATOM 169 CA GLU A 12 8.019 -3.039 -10.280 1.00 0.27 C ATOM 170 C GLU A 12 8.462 -1.645 -9.877 1.00 0.25 C ATOM 171 O GLU A 12 7.741 -0.929 -9.177 1.00 0.26 O ATOM 172 CB GLU A 12 7.059 -2.971 -11.470 1.00 0.32 C ATOM 173 CG GLU A 12 7.400 -1.891 -12.494 1.00 0.38 C ATOM 174 CD GLU A 12 6.668 -2.061 -13.811 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.431 -2.239 -13.803 1.00 1.44 O ATOM 176 OE2 GLU A 12 7.329 -2.010 -14.868 1.00 1.00 O ATOM 0 H GLU A 12 6.840 -3.092 -8.563 1.00 0.26 H new ATOM 0 HA GLU A 12 8.899 -3.610 -10.577 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.051 -3.939 -11.970 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.050 -2.796 -11.098 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.158 -0.914 -12.075 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.474 -1.902 -12.679 1.00 0.38 H new ATOM 183 N ASN A 13 9.652 -1.284 -10.332 1.00 0.25 N ATOM 184 CA ASN A 13 10.262 0.019 -10.059 1.00 0.25 C ATOM 185 C ASN A 13 10.463 0.261 -8.570 1.00 0.23 C ATOM 186 O ASN A 13 10.362 1.395 -8.099 1.00 0.30 O ATOM 187 CB ASN A 13 9.427 1.151 -10.658 1.00 0.29 C ATOM 188 CG ASN A 13 9.734 1.378 -12.122 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.827 1.064 -12.600 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.774 1.929 -12.845 1.00 0.84 N ATOM 0 H ASN A 13 10.233 -1.892 -10.909 1.00 0.25 H new ATOM 0 HA ASN A 13 11.244 0.008 -10.532 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.368 0.919 -10.543 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.614 2.070 -10.103 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.923 2.110 -13.838 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.884 2.173 -12.410 1.00 0.84 H new ATOM 197 N TYR A 14 10.771 -0.806 -7.837 1.00 0.23 N ATOM 198 CA TYR A 14 10.987 -0.706 -6.397 1.00 0.25 C ATOM 199 C TYR A 14 12.142 0.243 -6.079 1.00 0.23 C ATOM 200 O TYR A 14 11.948 1.269 -5.427 1.00 0.22 O ATOM 201 CB TYR A 14 11.266 -2.088 -5.788 1.00 0.32 C ATOM 202 CG TYR A 14 11.410 -2.071 -4.283 1.00 0.44 C ATOM 203 CD1 TYR A 14 12.634 -1.790 -3.690 1.00 1.30 C ATOM 204 CD2 TYR A 14 10.322 -2.323 -3.455 1.00 1.28 C ATOM 205 CE1 TYR A 14 12.773 -1.760 -2.317 1.00 1.36 C ATOM 206 CE2 TYR A 14 10.452 -2.290 -2.078 1.00 1.39 C ATOM 207 CZ TYR A 14 11.678 -2.008 -1.516 1.00 0.78 C ATOM 208 OH TYR A 14 11.808 -1.960 -0.146 1.00 0.98 O ATOM 0 H TYR A 14 10.876 -1.747 -8.216 1.00 0.23 H new ATOM 0 HA TYR A 14 10.075 -0.305 -5.956 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.456 -2.765 -6.059 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.179 -2.491 -6.227 1.00 0.32 H new ATOM 0 HD1 TYR A 14 13.493 -1.591 -4.314 1.00 1.30 H new ATOM 0 HD2 TYR A 14 9.361 -2.548 -3.893 1.00 1.28 H new ATOM 0 HE1 TYR A 14 13.733 -1.544 -1.873 1.00 1.36 H new ATOM 0 HE2 TYR A 14 9.597 -2.484 -1.447 1.00 1.39 H new ATOM 0 HH TYR A 14 12.754 -2.044 0.096 1.00 0.98 H new ATOM 218 N ASP A 15 13.334 -0.104 -6.560 1.00 0.25 N ATOM 219 CA ASP A 15 14.548 0.685 -6.316 1.00 0.26 C ATOM 220 C ASP A 15 14.391 2.123 -6.791 1.00 0.25 C ATOM 221 O ASP A 15 14.798 3.059 -6.112 1.00 0.26 O ATOM 222 CB ASP A 15 15.754 0.049 -7.012 1.00 0.33 C ATOM 223 CG ASP A 15 15.890 -1.433 -6.714 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.109 -2.228 -7.278 1.00 1.30 O ATOM 225 OD2 ASP A 15 16.763 -1.807 -5.902 1.00 1.18 O ATOM 0 H ASP A 15 13.489 -0.937 -7.128 1.00 0.25 H new ATOM 0 HA ASP A 15 14.712 0.695 -5.238 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.663 0.192 -8.089 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.662 0.563 -6.698 1.00 0.33 H new ATOM 230 N ASP A 16 13.794 2.289 -7.955 1.00 0.25 N ATOM 231 CA ASP A 16 13.581 3.615 -8.525 1.00 0.26 C ATOM 232 C ASP A 16 12.682 4.448 -7.624 1.00 0.25 C ATOM 233 O ASP A 16 12.988 5.596 -7.308 1.00 0.29 O ATOM 234 CB ASP A 16 12.947 3.504 -9.908 1.00 0.29 C ATOM 235 CG ASP A 16 13.655 4.359 -10.941 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.843 5.572 -10.694 1.00 1.46 O ATOM 237 OD2 ASP A 16 14.034 3.823 -12.007 1.00 1.20 O ATOM 0 H ASP A 16 13.445 1.522 -8.530 1.00 0.25 H new ATOM 0 HA ASP A 16 14.551 4.104 -8.611 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.964 2.463 -10.230 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.900 3.803 -9.849 1.00 0.29 H new ATOM 242 N PHE A 17 11.581 3.847 -7.203 1.00 0.21 N ATOM 243 CA PHE A 17 10.612 4.504 -6.343 1.00 0.21 C ATOM 244 C PHE A 17 11.222 4.875 -5.001 1.00 0.20 C ATOM 245 O PHE A 17 11.160 6.028 -4.581 1.00 0.23 O ATOM 246 CB PHE A 17 9.419 3.579 -6.125 1.00 0.21 C ATOM 247 CG PHE A 17 8.280 4.215 -5.387 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.509 5.197 -5.988 1.00 1.22 C ATOM 249 CD2 PHE A 17 7.974 3.823 -4.094 1.00 1.17 C ATOM 250 CE1 PHE A 17 6.454 5.772 -5.314 1.00 1.24 C ATOM 251 CE2 PHE A 17 6.923 4.400 -3.416 1.00 1.19 C ATOM 252 CZ PHE A 17 6.162 5.374 -4.026 1.00 0.38 C ATOM 0 H PHE A 17 11.334 2.888 -7.449 1.00 0.21 H new ATOM 0 HA PHE A 17 10.289 5.423 -6.832 1.00 0.21 H new ATOM 0 HB2 PHE A 17 9.061 3.230 -7.094 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.750 2.700 -5.573 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.737 5.515 -6.995 1.00 1.22 H new ATOM 0 HD2 PHE A 17 8.565 3.058 -3.613 1.00 1.17 H new ATOM 0 HE1 PHE A 17 5.856 6.533 -5.793 1.00 1.24 H new ATOM 0 HE2 PHE A 17 6.695 4.089 -2.407 1.00 1.19 H new ATOM 0 HZ PHE A 17 5.337 5.826 -3.495 1.00 0.38 H new ATOM 262 N VAL A 18 11.818 3.894 -4.339 1.00 0.19 N ATOM 263 CA VAL A 18 12.419 4.115 -3.034 1.00 0.21 C ATOM 264 C VAL A 18 13.521 5.171 -3.093 1.00 0.23 C ATOM 265 O VAL A 18 13.627 6.014 -2.201 1.00 0.26 O ATOM 266 CB VAL A 18 12.960 2.807 -2.417 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.822 1.825 -2.177 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.031 2.180 -3.298 1.00 0.23 C ATOM 0 H VAL A 18 11.898 2.938 -4.685 1.00 0.19 H new ATOM 0 HA VAL A 18 11.625 4.486 -2.386 1.00 0.21 H new ATOM 0 HB VAL A 18 13.420 3.052 -1.460 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.219 0.908 -1.742 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.098 2.267 -1.493 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.334 1.596 -3.124 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.391 1.261 -2.835 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.609 1.952 -4.277 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.861 2.877 -3.414 1.00 0.23 H new ATOM 278 N LYS A 19 14.321 5.148 -4.158 1.00 0.24 N ATOM 279 CA LYS A 19 15.397 6.122 -4.317 1.00 0.29 C ATOM 280 C LYS A 19 14.838 7.499 -4.662 1.00 0.30 C ATOM 281 O LYS A 19 15.477 8.522 -4.408 1.00 0.34 O ATOM 282 CB LYS A 19 16.372 5.668 -5.411 1.00 0.33 C ATOM 283 CG LYS A 19 17.339 4.578 -4.967 1.00 0.41 C ATOM 284 CD LYS A 19 18.729 5.130 -4.683 1.00 0.54 C ATOM 285 CE LYS A 19 18.759 5.960 -3.411 1.00 0.87 C ATOM 286 NZ LYS A 19 20.063 6.646 -3.225 1.00 1.18 N ATOM 0 H LYS A 19 14.245 4.471 -4.917 1.00 0.24 H new ATOM 0 HA LYS A 19 15.931 6.191 -3.369 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.800 5.306 -6.265 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.945 6.530 -5.753 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.952 4.093 -4.071 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.404 3.813 -5.741 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.436 4.305 -4.595 1.00 0.54 H new ATOM 0 HD3 LYS A 19 19.056 5.742 -5.524 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.961 6.701 -3.443 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.562 5.317 -2.553 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.041 7.201 -2.346 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.823 5.938 -3.169 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 20.240 7.280 -4.030 1.00 1.18 H new ATOM 300 N LYS A 20 13.645 7.519 -5.238 1.00 0.29 N ATOM 301 CA LYS A 20 12.999 8.765 -5.629 1.00 0.32 C ATOM 302 C LYS A 20 12.302 9.432 -4.446 1.00 0.31 C ATOM 303 O LYS A 20 12.426 10.642 -4.246 1.00 0.36 O ATOM 304 CB LYS A 20 11.982 8.508 -6.739 1.00 0.35 C ATOM 305 CG LYS A 20 11.481 9.769 -7.418 1.00 0.58 C ATOM 306 CD LYS A 20 12.581 10.440 -8.227 1.00 0.73 C ATOM 307 CE LYS A 20 12.035 11.569 -9.086 1.00 0.71 C ATOM 308 NZ LYS A 20 13.088 12.200 -9.925 1.00 0.88 N ATOM 0 H LYS A 20 13.101 6.681 -5.446 1.00 0.29 H new ATOM 0 HA LYS A 20 13.777 9.437 -5.992 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.434 7.858 -7.489 1.00 0.35 H new ATOM 0 HB3 LYS A 20 11.131 7.970 -6.321 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.645 9.524 -8.072 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.105 10.463 -6.667 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.343 10.831 -7.552 1.00 0.73 H new ATOM 0 HD3 LYS A 20 13.068 9.701 -8.863 1.00 0.73 H new ATOM 0 HE2 LYS A 20 11.244 11.183 -9.729 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.583 12.325 -8.444 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.668 12.964 -10.493 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.831 12.592 -9.312 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 13.502 11.486 -10.558 1.00 0.88 H new ATOM 322 N ILE A 21 11.559 8.644 -3.668 1.00 0.28 N ATOM 323 CA ILE A 21 10.829 9.175 -2.516 1.00 0.30 C ATOM 324 C ILE A 21 11.767 9.534 -1.368 1.00 0.32 C ATOM 325 O ILE A 21 11.391 10.271 -0.460 1.00 0.39 O ATOM 326 CB ILE A 21 9.744 8.195 -2.010 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.367 6.860 -1.587 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.683 7.978 -3.086 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.434 5.981 -0.788 1.00 0.30 C ATOM 0 H ILE A 21 11.447 7.641 -3.813 1.00 0.28 H new ATOM 0 HA ILE A 21 10.337 10.083 -2.865 1.00 0.30 H new ATOM 0 HB ILE A 21 9.266 8.635 -1.135 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.687 6.320 -2.478 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.261 7.058 -0.996 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.926 7.286 -2.716 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.215 8.931 -3.332 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.150 7.562 -3.979 1.00 0.31 H new ATOM 0 HD11 ILE A 21 9.944 5.054 -0.524 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.134 6.501 0.121 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.550 5.752 -1.384 1.00 0.30 H new ATOM 341 N GLY A 22 12.982 9.008 -1.408 1.00 0.31 N ATOM 342 CA GLY A 22 13.943 9.316 -0.370 1.00 0.36 C ATOM 343 C GLY A 22 13.935 8.310 0.759 1.00 0.34 C ATOM 344 O GLY A 22 14.258 8.649 1.894 1.00 0.39 O ATOM 0 H GLY A 22 13.318 8.377 -2.136 1.00 0.31 H new ATOM 0 HA2 GLY A 22 14.941 9.356 -0.807 1.00 0.36 H new ATOM 0 HA3 GLY A 22 13.731 10.307 0.032 1.00 0.36 H new ATOM 348 N LEU A 23 13.570 7.076 0.453 1.00 0.28 N ATOM 349 CA LEU A 23 13.533 6.025 1.460 1.00 0.27 C ATOM 350 C LEU A 23 14.953 5.667 1.881 1.00 0.28 C ATOM 351 O LEU A 23 15.823 5.510 1.032 1.00 0.28 O ATOM 352 CB LEU A 23 12.823 4.787 0.904 1.00 0.24 C ATOM 353 CG LEU A 23 12.321 3.788 1.952 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.197 4.386 2.784 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.845 2.511 1.282 1.00 0.25 C ATOM 0 H LEU A 23 13.295 6.776 -0.482 1.00 0.28 H new ATOM 0 HA LEU A 23 12.982 6.384 2.329 1.00 0.27 H new ATOM 0 HB2 LEU A 23 11.974 5.115 0.304 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.507 4.269 0.232 1.00 0.24 H new ATOM 0 HG LEU A 23 13.153 3.554 2.616 1.00 0.26 H new ATOM 0 HD11 LEU A 23 10.860 3.655 3.519 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.559 5.277 3.297 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.365 4.655 2.133 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.492 1.812 2.040 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.031 2.742 0.595 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.670 2.061 0.730 1.00 0.25 H new ATOM 367 N PRO A 24 15.221 5.577 3.191 1.00 0.30 N ATOM 368 CA PRO A 24 16.551 5.220 3.691 1.00 0.32 C ATOM 369 C PRO A 24 16.920 3.783 3.340 1.00 0.30 C ATOM 370 O PRO A 24 16.079 2.885 3.424 1.00 0.28 O ATOM 371 CB PRO A 24 16.428 5.380 5.205 1.00 0.37 C ATOM 372 CG PRO A 24 14.973 5.291 5.491 1.00 0.36 C ATOM 373 CD PRO A 24 14.267 5.832 4.284 1.00 0.33 C ATOM 0 HA PRO A 24 17.332 5.841 3.252 1.00 0.32 H new ATOM 0 HB2 PRO A 24 16.980 4.600 5.729 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.836 6.336 5.534 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.678 4.259 5.683 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.717 5.867 6.381 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.316 5.327 4.114 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.049 6.895 4.388 1.00 0.33 H new ATOM 381 N ALA A 25 18.180 3.573 2.972 1.00 0.32 N ATOM 382 CA ALA A 25 18.679 2.246 2.590 1.00 0.34 C ATOM 383 C ALA A 25 18.401 1.209 3.670 1.00 0.35 C ATOM 384 O ALA A 25 18.162 0.037 3.375 1.00 0.36 O ATOM 385 CB ALA A 25 20.170 2.298 2.294 1.00 0.39 C ATOM 0 H ALA A 25 18.884 4.310 2.929 1.00 0.32 H new ATOM 0 HA ALA A 25 18.146 1.947 1.688 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.520 1.305 2.013 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.354 2.993 1.475 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.706 2.634 3.182 1.00 0.39 H new ATOM 391 N ASP A 26 18.430 1.658 4.918 1.00 0.37 N ATOM 392 CA ASP A 26 18.183 0.800 6.068 1.00 0.40 C ATOM 393 C ASP A 26 16.805 0.160 5.969 1.00 0.38 C ATOM 394 O ASP A 26 16.626 -1.017 6.272 1.00 0.42 O ATOM 395 CB ASP A 26 18.256 1.611 7.369 1.00 0.46 C ATOM 396 CG ASP A 26 19.268 2.743 7.323 1.00 1.27 C ATOM 397 OD1 ASP A 26 19.017 3.746 6.613 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.304 2.654 8.008 1.00 2.03 O ATOM 0 H ASP A 26 18.626 2.629 5.161 1.00 0.37 H new ATOM 0 HA ASP A 26 18.948 0.024 6.076 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.271 2.024 7.586 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.509 0.942 8.191 1.00 0.46 H new ATOM 403 N LYS A 27 15.832 0.954 5.542 1.00 0.35 N ATOM 404 CA LYS A 27 14.460 0.485 5.421 1.00 0.36 C ATOM 405 C LYS A 27 14.214 -0.123 4.050 1.00 0.32 C ATOM 406 O LYS A 27 13.405 -1.034 3.909 1.00 0.33 O ATOM 407 CB LYS A 27 13.471 1.628 5.671 1.00 0.39 C ATOM 408 CG LYS A 27 13.541 2.215 7.078 1.00 0.41 C ATOM 409 CD LYS A 27 13.446 1.129 8.136 1.00 0.48 C ATOM 410 CE LYS A 27 13.347 1.714 9.536 1.00 0.72 C ATOM 411 NZ LYS A 27 13.440 0.670 10.589 1.00 0.94 N ATOM 0 H LYS A 27 15.969 1.928 5.273 1.00 0.35 H new ATOM 0 HA LYS A 27 14.304 -0.285 6.176 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.659 2.422 4.948 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.459 1.265 5.490 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.475 2.763 7.199 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.731 2.931 7.216 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.574 0.505 7.940 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.321 0.482 8.073 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.143 2.444 9.680 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.402 2.248 9.639 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 13.368 1.115 11.526 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.665 -0.014 10.470 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 14.352 0.177 10.509 1.00 0.94 H new ATOM 425 N ILE A 28 14.914 0.392 3.048 1.00 0.30 N ATOM 426 CA ILE A 28 14.776 -0.094 1.680 1.00 0.29 C ATOM 427 C ILE A 28 15.057 -1.588 1.595 1.00 0.34 C ATOM 428 O ILE A 28 14.218 -2.363 1.137 1.00 0.37 O ATOM 429 CB ILE A 28 15.739 0.636 0.712 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.325 2.090 0.510 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.791 -0.077 -0.630 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.248 2.860 -0.413 1.00 0.26 C ATOM 0 H ILE A 28 15.587 1.151 3.157 1.00 0.30 H new ATOM 0 HA ILE A 28 13.746 0.108 1.386 1.00 0.29 H new ATOM 0 HB ILE A 28 16.732 0.621 1.162 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.313 2.118 0.105 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.295 2.589 1.479 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.473 0.451 -1.296 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.143 -1.099 -0.486 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.794 -0.095 -1.071 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.892 3.886 -0.510 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.256 2.863 0.001 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.260 2.386 -1.394 1.00 0.26 H new ATOM 444 N GLU A 29 16.241 -1.982 2.043 1.00 0.37 N ATOM 445 CA GLU A 29 16.651 -3.381 2.000 1.00 0.44 C ATOM 446 C GLU A 29 15.876 -4.207 3.015 1.00 0.43 C ATOM 447 O GLU A 29 15.780 -5.430 2.903 1.00 0.47 O ATOM 448 CB GLU A 29 18.154 -3.497 2.259 1.00 0.52 C ATOM 449 CG GLU A 29 18.990 -2.489 1.486 1.00 0.55 C ATOM 450 CD GLU A 29 19.092 -2.808 0.008 1.00 0.94 C ATOM 451 OE1 GLU A 29 18.132 -2.531 -0.739 1.00 1.73 O ATOM 452 OE2 GLU A 29 20.144 -3.333 -0.412 1.00 1.41 O ATOM 0 H GLU A 29 16.937 -1.352 2.442 1.00 0.37 H new ATOM 0 HA GLU A 29 16.431 -3.771 1.006 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.340 -3.368 3.325 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.482 -4.503 1.998 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.556 -1.497 1.608 1.00 0.55 H new ATOM 0 HG3 GLU A 29 19.992 -2.453 1.914 1.00 0.55 H new ATOM 459 N MET A 30 15.321 -3.529 4.000 1.00 0.41 N ATOM 460 CA MET A 30 14.547 -4.186 5.036 1.00 0.43 C ATOM 461 C MET A 30 13.153 -4.543 4.522 1.00 0.40 C ATOM 462 O MET A 30 12.619 -5.605 4.832 1.00 0.41 O ATOM 463 CB MET A 30 14.451 -3.274 6.261 1.00 0.45 C ATOM 464 CG MET A 30 13.729 -3.891 7.449 1.00 0.46 C ATOM 465 SD MET A 30 14.688 -5.175 8.268 1.00 0.63 S ATOM 466 CE MET A 30 13.940 -6.641 7.564 1.00 0.97 C ATOM 0 H MET A 30 15.392 -2.517 4.105 1.00 0.41 H new ATOM 0 HA MET A 30 15.048 -5.111 5.320 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.458 -2.993 6.569 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.937 -2.356 5.976 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.492 -3.108 8.169 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.782 -4.312 7.112 1.00 0.46 H new ATOM 0 HE1 MET A 30 14.076 -7.482 8.244 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.875 -6.468 7.410 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.413 -6.867 6.608 1.00 0.97 H new ATOM 476 N GLY A 31 12.582 -3.667 3.707 1.00 0.39 N ATOM 477 CA GLY A 31 11.246 -3.896 3.186 1.00 0.39 C ATOM 478 C GLY A 31 11.220 -4.337 1.737 1.00 0.43 C ATOM 479 O GLY A 31 10.234 -4.107 1.039 1.00 0.51 O ATOM 0 H GLY A 31 13.020 -2.800 3.396 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.754 -4.654 3.795 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.665 -2.979 3.287 1.00 0.39 H new ATOM 483 N ARG A 32 12.274 -4.994 1.280 1.00 0.43 N ATOM 484 CA ARG A 32 12.328 -5.437 -0.109 1.00 0.50 C ATOM 485 C ARG A 32 12.265 -6.953 -0.187 1.00 0.44 C ATOM 486 O ARG A 32 12.895 -7.647 0.611 1.00 0.49 O ATOM 487 CB ARG A 32 13.576 -4.899 -0.827 1.00 0.60 C ATOM 488 CG ARG A 32 14.882 -5.582 -0.441 1.00 0.78 C ATOM 489 CD ARG A 32 16.052 -5.007 -1.222 1.00 0.71 C ATOM 490 NE ARG A 32 15.793 -5.000 -2.664 1.00 1.31 N ATOM 491 CZ ARG A 32 16.162 -4.013 -3.485 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.863 -2.981 -3.032 1.00 1.65 N ATOM 493 NH2 ARG A 32 15.841 -4.063 -4.768 1.00 2.27 N ATOM 0 H ARG A 32 13.094 -5.231 1.839 1.00 0.43 H new ATOM 0 HA ARG A 32 11.458 -5.029 -0.623 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.432 -5.004 -1.902 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.665 -3.833 -0.620 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.058 -5.459 0.628 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.806 -6.653 -0.630 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.250 -3.990 -0.883 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.949 -5.592 -1.017 1.00 0.71 H new ATOM 0 HE ARG A 32 15.301 -5.798 -3.066 1.00 1.31 H new ATOM 0 HH11 ARG A 32 17.126 -2.936 -2.047 1.00 1.65 H new ATOM 0 HH12 ARG A 32 17.139 -2.233 -3.668 1.00 1.65 H new ATOM 0 HH21 ARG A 32 15.311 -4.856 -5.131 1.00 2.27 H new ATOM 0 HH22 ARG A 32 16.123 -3.309 -5.394 1.00 2.27 H new ATOM 507 N ASN A 33 11.469 -7.451 -1.137 1.00 0.53 N ATOM 508 CA ASN A 33 11.286 -8.888 -1.337 1.00 0.67 C ATOM 509 C ASN A 33 10.710 -9.539 -0.083 1.00 0.59 C ATOM 510 O ASN A 33 10.828 -10.747 0.122 1.00 0.69 O ATOM 511 CB ASN A 33 12.604 -9.558 -1.736 1.00 0.80 C ATOM 512 CG ASN A 33 12.566 -10.081 -3.158 1.00 1.23 C ATOM 513 OD1 ASN A 33 12.589 -11.291 -3.392 1.00 1.72 O ATOM 514 ND2 ASN A 33 12.494 -9.175 -4.122 1.00 1.78 N ATOM 0 H ASN A 33 10.936 -6.871 -1.785 1.00 0.53 H new ATOM 0 HA ASN A 33 10.576 -9.026 -2.152 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.420 -8.842 -1.634 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.814 -10.381 -1.052 1.00 0.80 H new ATOM 0 HD21 ASN A 33 12.455 -9.470 -5.098 1.00 1.78 H new ATOM 0 HD22 ASN A 33 12.477 -8.182 -3.889 1.00 1.78 H new ATOM 521 N CYS A 34 10.083 -8.725 0.753 1.00 0.47 N ATOM 522 CA CYS A 34 9.487 -9.213 1.980 1.00 0.41 C ATOM 523 C CYS A 34 8.026 -9.581 1.750 1.00 0.41 C ATOM 524 O CYS A 34 7.288 -8.858 1.079 1.00 0.48 O ATOM 525 CB CYS A 34 9.632 -8.177 3.096 1.00 0.38 C ATOM 526 SG CYS A 34 11.310 -8.072 3.767 1.00 1.16 S ATOM 0 H CYS A 34 9.976 -7.722 0.600 1.00 0.47 H new ATOM 0 HA CYS A 34 10.015 -10.114 2.293 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.340 -7.199 2.714 1.00 0.38 H new ATOM 0 HB3 CYS A 34 8.941 -8.423 3.902 1.00 0.38 H new ATOM 0 HG CYS A 34 11.554 -6.850 4.136 1.00 1.16 H new ATOM 532 N LYS A 35 7.622 -10.713 2.309 1.00 0.39 N ATOM 533 CA LYS A 35 6.260 -11.213 2.155 1.00 0.42 C ATOM 534 C LYS A 35 5.259 -10.407 2.982 1.00 0.38 C ATOM 535 O LYS A 35 4.891 -10.793 4.093 1.00 0.40 O ATOM 536 CB LYS A 35 6.193 -12.696 2.539 1.00 0.47 C ATOM 537 CG LYS A 35 6.978 -13.040 3.799 1.00 0.48 C ATOM 538 CD LYS A 35 8.292 -13.725 3.465 1.00 1.13 C ATOM 539 CE LYS A 35 9.051 -14.114 4.723 1.00 1.64 C ATOM 540 NZ LYS A 35 10.477 -14.422 4.435 1.00 2.49 N ATOM 0 H LYS A 35 8.223 -11.308 2.879 1.00 0.39 H new ATOM 0 HA LYS A 35 5.986 -11.100 1.106 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.150 -12.978 2.683 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.573 -13.294 1.711 1.00 0.47 H new ATOM 0 HG2 LYS A 35 7.174 -12.130 4.367 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.379 -13.690 4.436 1.00 0.48 H new ATOM 0 HD2 LYS A 35 8.098 -14.615 2.866 1.00 1.13 H new ATOM 0 HD3 LYS A 35 8.907 -13.060 2.859 1.00 1.13 H new ATOM 0 HE2 LYS A 35 8.994 -13.302 5.448 1.00 1.64 H new ATOM 0 HE3 LYS A 35 8.577 -14.983 5.180 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 10.961 -14.683 5.318 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 10.532 -15.214 3.763 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 10.936 -13.585 4.023 1.00 2.49 H new ATOM 554 N ILE A 36 4.849 -9.266 2.445 1.00 0.36 N ATOM 555 CA ILE A 36 3.878 -8.414 3.106 1.00 0.34 C ATOM 556 C ILE A 36 2.478 -8.985 2.930 1.00 0.33 C ATOM 557 O ILE A 36 2.065 -9.291 1.809 1.00 0.41 O ATOM 558 CB ILE A 36 3.892 -6.984 2.527 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.317 -6.439 2.443 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.017 -6.062 3.364 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.014 -6.352 3.778 1.00 0.66 C ATOM 0 H ILE A 36 5.178 -8.910 1.548 1.00 0.36 H new ATOM 0 HA ILE A 36 4.147 -8.375 4.161 1.00 0.34 H new ATOM 0 HB ILE A 36 3.487 -7.025 1.516 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.901 -7.076 1.779 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.291 -5.447 1.992 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.038 -5.057 2.941 1.00 0.32 H new ATOM 0 HG22 ILE A 36 1.992 -6.434 3.364 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.393 -6.033 4.387 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.020 -5.957 3.638 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.453 -5.691 4.439 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.073 -7.345 4.223 1.00 0.66 H new ATOM 573 N VAL A 37 1.758 -9.145 4.028 1.00 0.29 N ATOM 574 CA VAL A 37 0.403 -9.660 3.967 1.00 0.29 C ATOM 575 C VAL A 37 -0.593 -8.521 4.105 1.00 0.30 C ATOM 576 O VAL A 37 -0.574 -7.794 5.097 1.00 0.37 O ATOM 577 CB VAL A 37 0.120 -10.705 5.062 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.153 -11.466 4.751 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.289 -11.666 5.222 1.00 0.32 C ATOM 0 H VAL A 37 2.089 -8.926 4.968 1.00 0.29 H new ATOM 0 HA VAL A 37 0.294 -10.149 2.999 1.00 0.29 H new ATOM 0 HB VAL A 37 -0.010 -10.176 6.006 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.338 -12.201 5.535 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.990 -10.770 4.701 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -1.047 -11.976 3.793 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.059 -12.392 6.002 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.463 -12.188 4.281 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.184 -11.108 5.498 1.00 0.32 H new ATOM 589 N THR A 38 -1.430 -8.359 3.100 1.00 0.25 N ATOM 590 CA THR A 38 -2.444 -7.319 3.095 1.00 0.26 C ATOM 591 C THR A 38 -3.810 -7.919 3.403 1.00 0.24 C ATOM 592 O THR A 38 -4.397 -8.586 2.566 1.00 0.23 O ATOM 593 CB THR A 38 -2.499 -6.599 1.731 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.185 -6.164 1.352 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.444 -5.410 1.782 1.00 0.30 C ATOM 0 H THR A 38 -1.428 -8.943 2.264 1.00 0.25 H new ATOM 0 HA THR A 38 -2.179 -6.591 3.862 1.00 0.26 H new ATOM 0 HB THR A 38 -2.874 -7.303 0.988 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.228 -5.709 0.485 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.465 -4.920 0.809 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.447 -5.753 2.037 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.099 -4.703 2.537 1.00 0.30 H new ATOM 603 N GLU A 39 -4.301 -7.695 4.609 1.00 0.25 N ATOM 604 CA GLU A 39 -5.599 -8.229 4.999 1.00 0.25 C ATOM 605 C GLU A 39 -6.682 -7.170 4.849 1.00 0.24 C ATOM 606 O GLU A 39 -6.637 -6.125 5.499 1.00 0.28 O ATOM 607 CB GLU A 39 -5.552 -8.760 6.430 1.00 0.28 C ATOM 608 CG GLU A 39 -4.427 -9.754 6.661 1.00 0.38 C ATOM 609 CD GLU A 39 -4.814 -10.857 7.619 1.00 0.66 C ATOM 610 OE1 GLU A 39 -5.379 -11.879 7.164 1.00 1.39 O ATOM 611 OE2 GLU A 39 -4.562 -10.709 8.831 1.00 1.24 O ATOM 0 H GLU A 39 -3.828 -7.152 5.331 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.843 -9.059 4.336 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.436 -7.923 7.118 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.504 -9.236 6.666 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.133 -10.193 5.707 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.556 -9.227 7.052 1.00 0.38 H new ATOM 618 N VAL A 40 -7.639 -7.453 3.977 1.00 0.20 N ATOM 619 CA VAL A 40 -8.730 -6.535 3.699 1.00 0.20 C ATOM 620 C VAL A 40 -10.068 -7.066 4.206 1.00 0.21 C ATOM 621 O VAL A 40 -10.488 -8.171 3.853 1.00 0.20 O ATOM 622 CB VAL A 40 -8.847 -6.281 2.185 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.959 -5.293 1.880 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.522 -5.798 1.619 1.00 0.22 C ATOM 0 H VAL A 40 -7.680 -8.322 3.445 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.500 -5.607 4.223 1.00 0.20 H new ATOM 0 HB VAL A 40 -9.100 -7.225 1.703 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -10.018 -5.133 0.803 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.908 -5.690 2.241 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.750 -4.345 2.377 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.626 -5.624 0.548 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.233 -4.869 2.111 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.756 -6.554 1.792 1.00 0.22 H new ATOM 634 N VAL A 41 -10.724 -6.270 5.037 1.00 0.24 N ATOM 635 CA VAL A 41 -12.030 -6.619 5.577 1.00 0.27 C ATOM 636 C VAL A 41 -13.087 -5.697 4.975 1.00 0.29 C ATOM 637 O VAL A 41 -12.993 -4.476 5.094 1.00 0.31 O ATOM 638 CB VAL A 41 -12.067 -6.503 7.118 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.436 -6.892 7.656 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.980 -7.360 7.744 1.00 0.95 C ATOM 0 H VAL A 41 -10.369 -5.368 5.355 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.234 -7.657 5.315 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.881 -5.463 7.387 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.439 -6.803 8.742 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.194 -6.230 7.236 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.658 -7.922 7.376 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.022 -7.265 8.829 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.132 -8.402 7.465 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -10.005 -7.028 7.388 1.00 0.95 H new ATOM 650 N GLN A 42 -14.073 -6.276 4.308 1.00 0.31 N ATOM 651 CA GLN A 42 -15.129 -5.494 3.680 1.00 0.36 C ATOM 652 C GLN A 42 -16.227 -5.145 4.676 1.00 0.30 C ATOM 653 O GLN A 42 -16.866 -6.027 5.248 1.00 0.42 O ATOM 654 CB GLN A 42 -15.725 -6.265 2.507 1.00 0.53 C ATOM 655 CG GLN A 42 -16.598 -5.432 1.581 1.00 1.14 C ATOM 656 CD GLN A 42 -18.077 -5.551 1.899 1.00 1.35 C ATOM 657 OE1 GLN A 42 -18.639 -4.727 2.616 1.00 2.06 O ATOM 658 NE2 GLN A 42 -18.712 -6.584 1.371 1.00 1.59 N ATOM 0 H GLN A 42 -14.165 -7.285 4.187 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.687 -4.565 3.319 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.913 -6.701 1.925 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.318 -7.093 2.897 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -16.299 -4.386 1.652 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -16.427 -5.744 0.551 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.207 -7.245 0.781 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -19.706 -6.719 1.554 1.00 1.59 H new ATOM 667 N ASN A 43 -16.430 -3.855 4.886 1.00 0.30 N ATOM 668 CA ASN A 43 -17.466 -3.383 5.789 1.00 0.37 C ATOM 669 C ASN A 43 -18.155 -2.163 5.194 1.00 0.34 C ATOM 670 O ASN A 43 -17.882 -1.026 5.583 1.00 0.37 O ATOM 671 CB ASN A 43 -16.881 -3.043 7.160 1.00 0.53 C ATOM 672 CG ASN A 43 -17.943 -3.012 8.246 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.647 -2.014 8.422 1.00 1.44 O ATOM 674 ND2 ASN A 43 -18.064 -4.102 8.991 1.00 1.73 N ATOM 0 H ASN A 43 -15.889 -3.114 4.441 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.199 -4.179 5.921 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -16.119 -3.778 7.420 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.385 -2.073 7.111 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -18.757 -4.134 9.739 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -17.464 -4.908 8.816 1.00 1.73 H new ATOM 681 N GLY A 44 -19.021 -2.408 4.220 1.00 0.35 N ATOM 682 CA GLY A 44 -19.743 -1.331 3.573 1.00 0.37 C ATOM 683 C GLY A 44 -18.850 -0.533 2.647 1.00 0.34 C ATOM 684 O GLY A 44 -18.653 -0.899 1.485 1.00 0.40 O ATOM 0 H GLY A 44 -19.237 -3.339 3.865 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.579 -1.742 3.007 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.165 -0.670 4.330 1.00 0.37 H new ATOM 688 N ASN A 45 -18.316 0.562 3.154 1.00 0.31 N ATOM 689 CA ASN A 45 -17.418 1.403 2.376 1.00 0.29 C ATOM 690 C ASN A 45 -16.101 1.584 3.113 1.00 0.28 C ATOM 691 O ASN A 45 -15.212 2.304 2.658 1.00 0.29 O ATOM 692 CB ASN A 45 -18.055 2.762 2.079 1.00 0.32 C ATOM 693 CG ASN A 45 -18.603 2.845 0.663 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.611 3.912 0.047 1.00 0.41 O ATOM 695 ND2 ASN A 45 -19.075 1.722 0.144 1.00 0.43 N ATOM 0 H ASN A 45 -18.487 0.893 4.103 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.226 0.908 1.424 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.861 2.946 2.790 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.314 3.548 2.226 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.464 1.720 -0.799 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.050 0.859 0.687 1.00 0.43 H new ATOM 702 N ASP A 46 -15.990 0.928 4.262 1.00 0.30 N ATOM 703 CA ASP A 46 -14.783 0.994 5.071 1.00 0.29 C ATOM 704 C ASP A 46 -13.936 -0.244 4.831 1.00 0.28 C ATOM 705 O ASP A 46 -14.314 -1.351 5.214 1.00 0.36 O ATOM 706 CB ASP A 46 -15.137 1.105 6.556 1.00 0.33 C ATOM 707 CG ASP A 46 -13.921 1.284 7.449 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.408 2.421 7.546 1.00 1.29 O ATOM 709 OD2 ASP A 46 -13.499 0.299 8.090 1.00 1.36 O ATOM 0 H ASP A 46 -16.727 0.342 4.654 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.217 1.880 4.783 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.813 1.948 6.700 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.676 0.209 6.862 1.00 0.33 H new ATOM 714 N PHE A 47 -12.807 -0.057 4.172 1.00 0.23 N ATOM 715 CA PHE A 47 -11.906 -1.148 3.889 1.00 0.23 C ATOM 716 C PHE A 47 -10.661 -1.008 4.737 1.00 0.23 C ATOM 717 O PHE A 47 -10.070 0.070 4.822 1.00 0.24 O ATOM 718 CB PHE A 47 -11.545 -1.174 2.402 1.00 0.25 C ATOM 719 CG PHE A 47 -12.724 -1.459 1.515 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.072 -2.762 1.202 1.00 0.97 C ATOM 721 CD2 PHE A 47 -13.490 -0.423 1.007 1.00 0.81 C ATOM 722 CE1 PHE A 47 -14.159 -3.028 0.396 1.00 1.00 C ATOM 723 CE2 PHE A 47 -14.581 -0.686 0.199 1.00 0.82 C ATOM 724 CZ PHE A 47 -14.915 -1.986 -0.105 1.00 0.34 C ATOM 0 H PHE A 47 -12.495 0.849 3.822 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.398 -2.090 4.132 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.111 -0.214 2.123 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.779 -1.931 2.233 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -12.485 -3.580 1.594 1.00 0.97 H new ATOM 0 HD2 PHE A 47 -13.233 0.599 1.244 1.00 0.81 H new ATOM 0 HE1 PHE A 47 -14.419 -4.049 0.157 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -15.171 0.129 -0.194 1.00 0.82 H new ATOM 0 HZ PHE A 47 -15.768 -2.191 -0.735 1.00 0.34 H new ATOM 734 N THR A 48 -10.284 -2.081 5.387 1.00 0.26 N ATOM 735 CA THR A 48 -9.120 -2.077 6.242 1.00 0.27 C ATOM 736 C THR A 48 -7.890 -2.573 5.501 1.00 0.28 C ATOM 737 O THR A 48 -7.886 -3.675 4.961 1.00 0.38 O ATOM 738 CB THR A 48 -9.368 -2.958 7.476 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.426 -3.884 7.192 1.00 0.53 O ATOM 740 CG2 THR A 48 -9.736 -2.102 8.677 1.00 0.56 C ATOM 0 H THR A 48 -10.770 -2.976 5.340 1.00 0.26 H new ATOM 0 HA THR A 48 -8.940 -1.049 6.557 1.00 0.27 H new ATOM 0 HB THR A 48 -8.455 -3.506 7.711 1.00 0.29 H new ATOM 0 HG1 THR A 48 -11.286 -3.485 7.441 1.00 0.53 H new ATOM 0 HG21 THR A 48 -9.908 -2.743 9.542 1.00 0.56 H new ATOM 0 HG22 THR A 48 -8.922 -1.411 8.894 1.00 0.56 H new ATOM 0 HG23 THR A 48 -10.642 -1.538 8.458 1.00 0.56 H new ATOM 748 N TRP A 49 -6.862 -1.745 5.454 1.00 0.23 N ATOM 749 CA TRP A 49 -5.625 -2.123 4.802 1.00 0.23 C ATOM 750 C TRP A 49 -4.616 -2.516 5.862 1.00 0.23 C ATOM 751 O TRP A 49 -4.015 -1.660 6.516 1.00 0.24 O ATOM 752 CB TRP A 49 -5.073 -0.980 3.952 1.00 0.25 C ATOM 753 CG TRP A 49 -4.683 -1.408 2.567 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.419 -1.453 2.045 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.561 -1.851 1.526 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.460 -1.904 0.749 1.00 0.38 N ATOM 757 CE2 TRP A 49 -4.763 -2.157 0.406 1.00 0.36 C ATOM 758 CE3 TRP A 49 -6.944 -2.017 1.431 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.305 -2.618 -0.792 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.481 -2.479 0.245 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.663 -2.777 -0.853 1.00 0.42 C ATOM 0 H TRP A 49 -6.861 -0.809 5.859 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.819 -2.964 4.137 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.823 -0.192 3.884 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.204 -0.552 4.451 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.520 -1.174 2.575 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.652 -2.030 0.140 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.583 -1.788 2.271 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -4.677 -2.842 -1.641 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.550 -2.613 0.163 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.113 -3.139 -1.765 1.00 0.42 H new ATOM 772 N THR A 50 -4.451 -3.805 6.045 1.00 0.22 N ATOM 773 CA THR A 50 -3.527 -4.311 7.033 1.00 0.24 C ATOM 774 C THR A 50 -2.240 -4.762 6.371 1.00 0.25 C ATOM 775 O THR A 50 -2.277 -5.520 5.407 1.00 0.35 O ATOM 776 CB THR A 50 -4.147 -5.498 7.786 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.521 -5.220 8.078 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.393 -5.783 9.074 1.00 0.28 C ATOM 0 H THR A 50 -4.947 -4.525 5.520 1.00 0.22 H new ATOM 0 HA THR A 50 -3.310 -3.508 7.737 1.00 0.24 H new ATOM 0 HB THR A 50 -4.079 -6.381 7.150 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.075 -5.463 7.307 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.854 -6.628 9.586 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.355 -6.021 8.843 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.429 -4.905 9.719 1.00 0.28 H new ATOM 786 N GLN A 51 -1.115 -4.265 6.851 1.00 0.22 N ATOM 787 CA GLN A 51 0.175 -4.653 6.312 1.00 0.23 C ATOM 788 C GLN A 51 0.959 -5.409 7.365 1.00 0.22 C ATOM 789 O GLN A 51 1.316 -4.851 8.402 1.00 0.24 O ATOM 790 CB GLN A 51 0.981 -3.429 5.866 1.00 0.27 C ATOM 791 CG GLN A 51 0.342 -2.642 4.733 1.00 0.56 C ATOM 792 CD GLN A 51 0.345 -3.402 3.420 1.00 0.71 C ATOM 793 OE1 GLN A 51 1.289 -3.309 2.634 1.00 1.62 O ATOM 794 NE2 GLN A 51 -0.712 -4.152 3.175 1.00 0.82 N ATOM 0 H GLN A 51 -1.069 -3.590 7.615 1.00 0.22 H new ATOM 0 HA GLN A 51 0.002 -5.288 5.444 1.00 0.23 H new ATOM 0 HB2 GLN A 51 1.118 -2.767 6.721 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.973 -3.755 5.553 1.00 0.27 H new ATOM 0 HG2 GLN A 51 -0.685 -2.393 5.002 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.875 -1.700 4.604 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -1.472 -4.200 3.854 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -0.770 -4.684 2.307 1.00 0.82 H new ATOM 803 N HIS A 52 1.237 -6.664 7.088 1.00 0.22 N ATOM 804 CA HIS A 52 1.975 -7.492 8.016 1.00 0.23 C ATOM 805 C HIS A 52 3.405 -7.655 7.571 1.00 0.23 C ATOM 806 O HIS A 52 3.678 -8.130 6.466 1.00 0.26 O ATOM 807 CB HIS A 52 1.326 -8.869 8.156 1.00 0.24 C ATOM 808 CG HIS A 52 0.057 -8.875 8.947 1.00 0.26 C ATOM 809 ND1 HIS A 52 0.064 -8.756 10.314 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.218 -9.013 8.521 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.203 -8.829 10.686 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.020 -8.988 9.634 1.00 0.35 N ATOM 0 H HIS A 52 0.962 -7.134 6.226 1.00 0.22 H new ATOM 0 HA HIS A 52 1.959 -6.992 8.984 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.122 -9.264 7.161 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.038 -9.547 8.628 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.544 -9.122 7.497 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.539 -8.768 11.711 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.036 -9.073 9.657 1.00 0.35 H new ATOM 820 N PHE A 53 4.315 -7.250 8.430 1.00 0.25 N ATOM 821 CA PHE A 53 5.721 -7.363 8.137 1.00 0.27 C ATOM 822 C PHE A 53 6.278 -8.597 8.821 1.00 0.31 C ATOM 823 O PHE A 53 6.110 -8.763 10.028 1.00 0.34 O ATOM 824 CB PHE A 53 6.471 -6.119 8.602 1.00 0.24 C ATOM 825 CG PHE A 53 7.749 -5.911 7.862 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.740 -5.827 6.488 1.00 1.13 C ATOM 827 CD2 PHE A 53 8.950 -5.812 8.535 1.00 1.20 C ATOM 828 CE1 PHE A 53 8.914 -5.642 5.786 1.00 1.13 C ATOM 829 CE2 PHE A 53 10.131 -5.627 7.846 1.00 1.23 C ATOM 830 CZ PHE A 53 10.111 -5.542 6.468 1.00 0.34 C ATOM 0 H PHE A 53 4.102 -6.839 9.339 1.00 0.25 H new ATOM 0 HA PHE A 53 5.853 -7.454 7.059 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.833 -5.245 8.472 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.682 -6.204 9.668 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.805 -5.907 5.954 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.965 -5.880 9.613 1.00 1.20 H new ATOM 0 HE1 PHE A 53 8.897 -5.576 4.708 1.00 1.13 H new ATOM 0 HE2 PHE A 53 11.066 -5.549 8.381 1.00 1.23 H new ATOM 0 HZ PHE A 53 11.032 -5.397 5.923 1.00 0.34 H new ATOM 840 N PRO A 54 6.935 -9.484 8.062 1.00 0.35 N ATOM 841 CA PRO A 54 7.499 -10.716 8.617 1.00 0.41 C ATOM 842 C PRO A 54 8.550 -10.436 9.687 1.00 0.39 C ATOM 843 O PRO A 54 9.632 -9.930 9.389 1.00 0.37 O ATOM 844 CB PRO A 54 8.139 -11.397 7.397 1.00 0.46 C ATOM 845 CG PRO A 54 8.315 -10.315 6.385 1.00 0.45 C ATOM 846 CD PRO A 54 7.193 -9.349 6.620 1.00 0.39 C ATOM 0 HA PRO A 54 6.744 -11.326 9.112 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.095 -11.851 7.657 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.502 -12.194 7.013 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.282 -9.826 6.500 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.279 -10.717 5.372 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.476 -8.330 6.354 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.313 -9.601 6.028 1.00 0.39 H new ATOM 854 N GLY A 55 8.228 -10.783 10.929 1.00 0.43 N ATOM 855 CA GLY A 55 9.142 -10.567 12.036 1.00 0.46 C ATOM 856 C GLY A 55 9.402 -9.094 12.315 1.00 0.41 C ATOM 857 O GLY A 55 10.483 -8.738 12.782 1.00 0.43 O ATOM 0 H GLY A 55 7.341 -11.214 11.190 1.00 0.43 H new ATOM 0 HA2 GLY A 55 8.735 -11.034 12.933 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.089 -11.063 11.820 1.00 0.46 H new ATOM 861 N GLY A 56 8.426 -8.238 12.034 1.00 0.37 N ATOM 862 CA GLY A 56 8.615 -6.815 12.272 1.00 0.34 C ATOM 863 C GLY A 56 7.342 -6.088 12.668 1.00 0.35 C ATOM 864 O GLY A 56 6.336 -6.714 13.011 1.00 0.41 O ATOM 0 H GLY A 56 7.517 -8.497 11.650 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.358 -6.683 13.058 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.020 -6.355 11.370 1.00 0.34 H new ATOM 868 N ARG A 57 7.396 -4.759 12.614 1.00 0.34 N ATOM 869 CA ARG A 57 6.262 -3.911 12.981 1.00 0.38 C ATOM 870 C ARG A 57 5.126 -4.040 11.975 1.00 0.31 C ATOM 871 O ARG A 57 5.357 -4.235 10.784 1.00 0.28 O ATOM 872 CB ARG A 57 6.695 -2.439 13.098 1.00 0.45 C ATOM 873 CG ARG A 57 7.093 -1.783 11.779 1.00 0.43 C ATOM 874 CD ARG A 57 5.995 -0.854 11.268 1.00 0.53 C ATOM 875 NE ARG A 57 5.772 0.289 12.160 1.00 1.58 N ATOM 876 CZ ARG A 57 4.986 1.331 11.866 1.00 2.33 C ATOM 877 NH1 ARG A 57 4.313 1.360 10.720 1.00 2.27 N ATOM 878 NH2 ARG A 57 4.849 2.329 12.735 1.00 3.34 N ATOM 0 H ARG A 57 8.222 -4.241 12.316 1.00 0.34 H new ATOM 0 HA ARG A 57 5.901 -4.250 13.952 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.878 -1.868 13.540 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.537 -2.376 13.788 1.00 0.45 H new ATOM 0 HG2 ARG A 57 8.016 -1.219 11.915 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.297 -2.553 11.035 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.262 -0.491 10.276 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.067 -1.416 11.162 1.00 0.53 H new ATOM 0 HE ARG A 57 6.247 0.289 13.063 1.00 1.58 H new ATOM 0 HH11 ARG A 57 4.395 0.586 10.061 1.00 2.27 H new ATOM 0 HH12 ARG A 57 3.715 2.156 10.500 1.00 2.27 H new ATOM 0 HH21 ARG A 57 5.344 2.300 13.627 1.00 3.34 H new ATOM 0 HH22 ARG A 57 4.249 3.123 12.510 1.00 3.34 H new ATOM 892 N THR A 58 3.903 -3.909 12.457 1.00 0.36 N ATOM 893 CA THR A 58 2.741 -4.011 11.602 1.00 0.31 C ATOM 894 C THR A 58 2.136 -2.629 11.361 1.00 0.28 C ATOM 895 O THR A 58 2.346 -1.702 12.144 1.00 0.33 O ATOM 896 CB THR A 58 1.684 -4.966 12.207 1.00 0.35 C ATOM 897 OG1 THR A 58 0.576 -5.116 11.311 1.00 0.34 O ATOM 898 CG2 THR A 58 1.183 -4.454 13.549 1.00 0.39 C ATOM 0 H THR A 58 3.692 -3.731 13.439 1.00 0.36 H new ATOM 0 HA THR A 58 3.060 -4.426 10.646 1.00 0.31 H new ATOM 0 HB THR A 58 2.162 -5.933 12.360 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.892 -5.049 10.386 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.442 -5.146 13.949 1.00 0.39 H new ATOM 0 HG22 THR A 58 2.019 -4.376 14.244 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.729 -3.472 13.417 1.00 0.39 H new ATOM 906 N THR A 59 1.401 -2.495 10.269 1.00 0.25 N ATOM 907 CA THR A 59 0.769 -1.238 9.917 1.00 0.27 C ATOM 908 C THR A 59 -0.665 -1.498 9.467 1.00 0.24 C ATOM 909 O THR A 59 -0.890 -2.138 8.446 1.00 0.36 O ATOM 910 CB THR A 59 1.552 -0.529 8.793 1.00 0.32 C ATOM 911 OG1 THR A 59 2.939 -0.896 8.862 1.00 0.49 O ATOM 912 CG2 THR A 59 1.425 0.978 8.914 1.00 0.48 C ATOM 0 H THR A 59 1.227 -3.251 9.606 1.00 0.25 H new ATOM 0 HA THR A 59 0.765 -0.590 10.793 1.00 0.27 H new ATOM 0 HB THR A 59 1.134 -0.840 7.836 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.053 -1.809 8.525 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.985 1.456 8.111 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.375 1.262 8.843 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.823 1.301 9.876 1.00 0.48 H new ATOM 920 N THR A 60 -1.631 -1.023 10.236 1.00 0.26 N ATOM 921 CA THR A 60 -3.032 -1.239 9.909 1.00 0.23 C ATOM 922 C THR A 60 -3.803 0.074 9.839 1.00 0.22 C ATOM 923 O THR A 60 -3.937 0.784 10.837 1.00 0.26 O ATOM 924 CB THR A 60 -3.707 -2.160 10.941 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.840 -3.255 11.264 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.025 -2.693 10.401 1.00 0.24 C ATOM 0 H THR A 60 -1.472 -0.487 11.089 1.00 0.26 H new ATOM 0 HA THR A 60 -3.054 -1.714 8.928 1.00 0.23 H new ATOM 0 HB THR A 60 -3.906 -1.579 11.842 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.277 -3.835 11.922 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.487 -3.342 11.145 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.692 -1.859 10.182 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.842 -3.260 9.488 1.00 0.24 H new ATOM 934 N ASN A 61 -4.304 0.404 8.658 1.00 0.25 N ATOM 935 CA ASN A 61 -5.071 1.627 8.475 1.00 0.26 C ATOM 936 C ASN A 61 -6.456 1.298 7.963 1.00 0.29 C ATOM 937 O ASN A 61 -6.628 0.469 7.072 1.00 0.51 O ATOM 938 CB ASN A 61 -4.382 2.596 7.504 1.00 0.36 C ATOM 939 CG ASN A 61 -3.031 3.102 7.981 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.209 3.527 7.172 1.00 1.43 O ATOM 941 ND2 ASN A 61 -2.784 3.066 9.281 1.00 1.72 N ATOM 0 H ASN A 61 -4.193 -0.157 7.813 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.140 2.117 9.446 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.252 2.098 6.543 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -5.038 3.450 7.334 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -1.888 3.398 9.639 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -3.489 2.707 9.924 1.00 1.72 H new ATOM 948 N SER A 62 -7.438 1.949 8.543 1.00 0.21 N ATOM 949 CA SER A 62 -8.816 1.744 8.166 1.00 0.25 C ATOM 950 C SER A 62 -9.342 2.999 7.486 1.00 0.23 C ATOM 951 O SER A 62 -9.213 4.096 8.028 1.00 0.29 O ATOM 952 CB SER A 62 -9.610 1.412 9.421 1.00 0.34 C ATOM 953 OG SER A 62 -9.320 2.337 10.460 1.00 1.04 O ATOM 0 H SER A 62 -7.304 2.633 9.287 1.00 0.21 H new ATOM 0 HA SER A 62 -8.912 0.918 7.461 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.677 1.431 9.198 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.372 0.401 9.751 1.00 0.34 H new ATOM 0 HG SER A 62 -9.336 3.249 10.100 1.00 1.04 H new ATOM 959 N PHE A 63 -9.923 2.850 6.306 1.00 0.18 N ATOM 960 CA PHE A 63 -10.415 4.004 5.578 1.00 0.17 C ATOM 961 C PHE A 63 -11.784 3.758 4.967 1.00 0.18 C ATOM 962 O PHE A 63 -12.064 2.680 4.443 1.00 0.24 O ATOM 963 CB PHE A 63 -9.415 4.392 4.481 1.00 0.17 C ATOM 964 CG PHE A 63 -9.182 3.322 3.449 1.00 0.18 C ATOM 965 CD1 PHE A 63 -9.972 3.255 2.315 1.00 0.86 C ATOM 966 CD2 PHE A 63 -8.168 2.392 3.611 1.00 0.88 C ATOM 967 CE1 PHE A 63 -9.761 2.281 1.364 1.00 0.88 C ATOM 968 CE2 PHE A 63 -7.953 1.415 2.658 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.749 1.359 1.533 1.00 0.23 C ATOM 0 H PHE A 63 -10.063 1.954 5.839 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.519 4.821 6.292 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.774 5.291 3.980 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.463 4.645 4.947 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.764 3.975 2.174 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -7.541 2.431 4.489 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -10.388 2.239 0.486 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.160 0.694 2.794 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.581 0.596 0.787 1.00 0.23 H new ATOM 979 N THR A 64 -12.632 4.765 5.038 1.00 0.17 N ATOM 980 CA THR A 64 -13.953 4.685 4.465 1.00 0.19 C ATOM 981 C THR A 64 -13.999 5.544 3.210 1.00 0.18 C ATOM 982 O THR A 64 -13.506 6.672 3.217 1.00 0.19 O ATOM 983 CB THR A 64 -15.026 5.156 5.472 1.00 0.21 C ATOM 984 OG1 THR A 64 -15.170 4.198 6.527 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.372 5.371 4.795 1.00 0.22 C ATOM 0 H THR A 64 -12.423 5.654 5.492 1.00 0.17 H new ATOM 0 HA THR A 64 -14.168 3.646 4.213 1.00 0.19 H new ATOM 0 HB THR A 64 -14.694 6.109 5.884 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.324 3.719 6.652 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.102 5.702 5.534 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.272 6.130 4.019 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.707 4.436 4.347 1.00 0.22 H new ATOM 993 N ILE A 65 -14.520 4.991 2.121 1.00 0.18 N ATOM 994 CA ILE A 65 -14.633 5.732 0.870 1.00 0.18 C ATOM 995 C ILE A 65 -15.376 7.059 1.073 1.00 0.21 C ATOM 996 O ILE A 65 -16.460 7.095 1.667 1.00 0.24 O ATOM 997 CB ILE A 65 -15.360 4.897 -0.206 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.614 3.582 -0.459 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.507 5.685 -1.499 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.168 3.768 -0.884 1.00 0.19 C ATOM 0 H ILE A 65 -14.870 4.034 2.079 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.619 5.945 0.531 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.359 4.664 0.163 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.641 2.980 0.449 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.140 3.020 -1.231 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -16.022 5.074 -2.241 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -16.084 6.590 -1.310 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.520 5.956 -1.874 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.708 2.793 -1.044 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -13.132 4.343 -1.809 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.625 4.302 -0.104 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.756 8.141 0.594 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.301 9.497 0.687 1.00 0.23 C ATOM 1014 C ASP A 66 -15.264 9.974 2.134 1.00 0.23 C ATOM 1015 O ASP A 66 -16.064 10.807 2.560 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.727 9.574 0.116 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.139 10.991 -0.247 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.525 11.580 -1.160 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -18.097 11.517 0.362 1.00 1.10 O ATOM 0 H ASP A 66 -13.851 8.099 0.125 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.678 10.157 0.083 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.793 8.943 -0.770 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.429 9.172 0.847 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.316 9.439 2.885 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.158 9.789 4.286 1.00 0.22 C ATOM 1026 C LYS A 67 -12.686 9.989 4.630 1.00 0.21 C ATOM 1027 O LYS A 67 -11.811 9.356 4.032 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.751 8.675 5.154 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.598 8.889 6.655 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.582 9.919 7.168 1.00 0.35 C ATOM 1031 CE LYS A 67 -16.999 9.574 6.749 1.00 1.15 C ATOM 1032 NZ LYS A 67 -18.002 10.329 7.541 1.00 1.59 N ATOM 0 H LYS A 67 -13.640 8.756 2.544 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.683 10.725 4.478 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.811 8.576 4.921 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.276 7.731 4.885 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.752 7.944 7.177 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.581 9.213 6.876 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -15.523 9.973 8.255 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -15.315 10.904 6.785 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -17.130 9.795 5.690 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -17.166 8.504 6.874 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -18.959 10.068 7.228 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -17.893 10.099 8.549 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -17.858 11.349 7.401 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.422 10.888 5.570 1.00 0.24 N ATOM 1047 CA GLU A 68 -11.062 11.147 6.019 1.00 0.26 C ATOM 1048 C GLU A 68 -10.618 9.995 6.908 1.00 0.23 C ATOM 1049 O GLU A 68 -11.289 9.665 7.887 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.993 12.475 6.781 1.00 0.34 C ATOM 1051 CG GLU A 68 -9.621 12.781 7.368 1.00 1.35 C ATOM 1052 CD GLU A 68 -9.582 14.117 8.083 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -9.283 15.140 7.430 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -9.852 14.151 9.300 1.00 2.51 O ATOM 0 H GLU A 68 -13.134 11.450 6.036 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.397 11.223 5.159 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -11.278 13.284 6.108 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.726 12.458 7.587 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -9.343 11.991 8.065 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -8.879 12.778 6.570 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.502 9.382 6.567 1.00 0.20 N ATOM 1062 CA ALA A 69 -9.011 8.247 7.324 1.00 0.18 C ATOM 1063 C ALA A 69 -7.659 8.510 7.964 1.00 0.21 C ATOM 1064 O ALA A 69 -6.845 9.281 7.445 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.915 7.029 6.425 1.00 0.18 C ATOM 0 H ALA A 69 -8.919 9.649 5.773 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.725 8.069 8.129 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.545 6.180 7.000 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.901 6.794 6.024 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.229 7.236 5.603 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.436 7.844 9.090 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.185 7.937 9.825 1.00 0.24 C ATOM 1073 C ASP A 70 -5.206 6.972 9.191 1.00 0.22 C ATOM 1074 O ASP A 70 -5.474 5.774 9.108 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.392 7.572 11.295 1.00 0.31 C ATOM 1076 CG ASP A 70 -5.346 8.177 12.208 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -4.160 8.233 11.822 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -5.706 8.616 13.317 1.00 1.87 O ATOM 0 H ASP A 70 -8.121 7.222 9.519 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.806 8.958 9.785 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -7.380 7.907 11.611 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -6.375 6.487 11.400 1.00 0.31 H new ATOM 1083 N MET A 71 -4.090 7.481 8.726 1.00 0.20 N ATOM 1084 CA MET A 71 -3.121 6.638 8.058 1.00 0.20 C ATOM 1085 C MET A 71 -1.734 6.733 8.668 1.00 0.22 C ATOM 1086 O MET A 71 -1.428 7.646 9.437 1.00 0.26 O ATOM 1087 CB MET A 71 -3.055 7.012 6.588 1.00 0.22 C ATOM 1088 CG MET A 71 -4.390 6.908 5.890 1.00 0.19 C ATOM 1089 SD MET A 71 -4.419 7.762 4.313 1.00 0.20 S ATOM 1090 CE MET A 71 -6.170 7.698 3.992 1.00 0.20 C ATOM 0 H MET A 71 -3.830 8.465 8.795 1.00 0.20 H new ATOM 0 HA MET A 71 -3.454 5.607 8.179 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.682 8.032 6.495 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.338 6.363 6.086 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.632 5.857 5.733 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.165 7.320 6.536 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.366 8.040 2.976 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.523 6.673 4.105 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.693 8.342 4.699 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.908 5.764 8.315 1.00 0.24 N ATOM 1101 CA GLU A 72 0.462 5.697 8.777 1.00 0.25 C ATOM 1102 C GLU A 72 1.259 4.802 7.839 1.00 0.26 C ATOM 1103 O GLU A 72 0.760 3.771 7.390 1.00 0.29 O ATOM 1104 CB GLU A 72 0.526 5.165 10.216 1.00 0.28 C ATOM 1105 CG GLU A 72 1.831 4.462 10.555 1.00 0.30 C ATOM 1106 CD GLU A 72 1.951 4.100 12.017 1.00 0.67 C ATOM 1107 OE1 GLU A 72 0.974 3.584 12.598 1.00 1.47 O ATOM 1108 OE2 GLU A 72 3.033 4.333 12.597 1.00 1.32 O ATOM 0 H GLU A 72 -1.173 4.998 7.696 1.00 0.24 H new ATOM 0 HA GLU A 72 0.892 6.699 8.775 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.382 5.996 10.907 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.300 4.472 10.374 1.00 0.28 H new ATOM 0 HG2 GLU A 72 1.914 3.556 9.955 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.666 5.106 10.277 1.00 0.30 H new ATOM 1115 N THR A 73 2.482 5.202 7.520 1.00 0.26 N ATOM 1116 CA THR A 73 3.320 4.410 6.639 1.00 0.28 C ATOM 1117 C THR A 73 4.098 3.382 7.443 1.00 0.30 C ATOM 1118 O THR A 73 4.087 3.401 8.676 1.00 0.36 O ATOM 1119 CB THR A 73 4.328 5.275 5.853 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.341 5.782 6.734 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.638 6.433 5.158 1.00 0.32 C ATOM 0 H THR A 73 2.911 6.064 7.856 1.00 0.26 H new ATOM 0 HA THR A 73 2.653 3.923 5.928 1.00 0.28 H new ATOM 0 HB THR A 73 4.787 4.640 5.095 1.00 0.28 H new ATOM 0 HG1 THR A 73 6.212 5.745 6.286 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.376 7.022 4.614 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.895 6.048 4.460 1.00 0.32 H new ATOM 0 HG23 THR A 73 3.147 7.062 5.900 1.00 0.32 H new ATOM 1129 N MET A 74 4.800 2.503 6.750 1.00 0.32 N ATOM 1130 CA MET A 74 5.587 1.487 7.417 1.00 0.34 C ATOM 1131 C MET A 74 6.891 2.100 7.919 1.00 0.31 C ATOM 1132 O MET A 74 7.658 1.457 8.636 1.00 0.37 O ATOM 1133 CB MET A 74 5.867 0.314 6.472 1.00 0.42 C ATOM 1134 CG MET A 74 5.702 -1.042 7.132 1.00 0.76 C ATOM 1135 SD MET A 74 6.450 -2.374 6.176 1.00 0.93 S ATOM 1136 CE MET A 74 5.286 -2.519 4.820 1.00 1.05 C ATOM 0 H MET A 74 4.840 2.474 5.731 1.00 0.32 H new ATOM 0 HA MET A 74 5.025 1.103 8.268 1.00 0.34 H new ATOM 0 HB2 MET A 74 5.195 0.378 5.616 1.00 0.42 H new ATOM 0 HB3 MET A 74 6.883 0.401 6.087 1.00 0.42 H new ATOM 0 HG2 MET A 74 6.151 -1.016 8.125 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.641 -1.249 7.268 1.00 0.76 H new ATOM 0 HE1 MET A 74 5.614 -3.306 4.141 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.300 -2.766 5.212 1.00 1.05 H new ATOM 0 HE3 MET A 74 5.235 -1.573 4.281 1.00 1.05 H new ATOM 1146 N GLY A 75 7.133 3.353 7.523 1.00 0.28 N ATOM 1147 CA GLY A 75 8.321 4.062 7.947 1.00 0.31 C ATOM 1148 C GLY A 75 8.102 4.787 9.258 1.00 0.35 C ATOM 1149 O GLY A 75 9.056 5.144 9.944 1.00 0.48 O ATOM 0 H GLY A 75 6.517 3.888 6.911 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.146 3.358 8.054 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.611 4.779 7.179 1.00 0.31 H new ATOM 1153 N GLY A 76 6.836 5.004 9.603 1.00 0.34 N ATOM 1154 CA GLY A 76 6.507 5.684 10.842 1.00 0.39 C ATOM 1155 C GLY A 76 5.904 7.063 10.631 1.00 0.38 C ATOM 1156 O GLY A 76 5.960 7.907 11.524 1.00 0.48 O ATOM 0 H GLY A 76 6.031 4.720 9.045 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.806 5.072 11.409 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.409 5.778 11.447 1.00 0.39 H new ATOM 1160 N ARG A 77 5.332 7.309 9.460 1.00 0.38 N ATOM 1161 CA ARG A 77 4.721 8.607 9.193 1.00 0.38 C ATOM 1162 C ARG A 77 3.237 8.568 9.507 1.00 0.37 C ATOM 1163 O ARG A 77 2.504 7.768 8.934 1.00 0.36 O ATOM 1164 CB ARG A 77 4.900 9.028 7.734 1.00 0.37 C ATOM 1165 CG ARG A 77 6.233 8.665 7.134 1.00 0.39 C ATOM 1166 CD ARG A 77 6.230 8.936 5.642 1.00 0.43 C ATOM 1167 NE ARG A 77 6.700 10.283 5.317 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.839 10.539 4.673 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.627 9.546 4.283 1.00 0.80 N ATOM 1170 NH2 ARG A 77 8.177 11.799 4.417 1.00 0.85 N ATOM 0 H ARG A 77 5.277 6.641 8.691 1.00 0.38 H new ATOM 0 HA ARG A 77 5.223 9.333 9.833 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.111 8.569 7.138 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.766 10.107 7.662 1.00 0.37 H new ATOM 0 HG2 ARG A 77 7.024 9.241 7.614 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.448 7.613 7.319 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.863 8.203 5.141 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.220 8.803 5.254 1.00 0.43 H new ATOM 0 HE ARG A 77 6.121 11.074 5.600 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.363 8.580 4.475 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.497 9.749 3.791 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.567 12.561 4.713 1.00 0.85 H new ATOM 0 HH22 ARG A 77 9.047 12.004 3.925 1.00 0.85 H new ATOM 1184 N LYS A 78 2.802 9.422 10.421 1.00 0.42 N ATOM 1185 CA LYS A 78 1.397 9.493 10.788 1.00 0.43 C ATOM 1186 C LYS A 78 0.752 10.665 10.065 1.00 0.39 C ATOM 1187 O LYS A 78 1.279 11.781 10.082 1.00 0.44 O ATOM 1188 CB LYS A 78 1.236 9.639 12.304 1.00 0.57 C ATOM 1189 CG LYS A 78 1.543 8.363 13.077 1.00 0.75 C ATOM 1190 CD LYS A 78 3.024 8.230 13.399 1.00 1.12 C ATOM 1191 CE LYS A 78 3.256 7.420 14.669 1.00 1.69 C ATOM 1192 NZ LYS A 78 2.666 6.057 14.585 1.00 1.76 N ATOM 0 H LYS A 78 3.403 10.076 10.922 1.00 0.42 H new ATOM 0 HA LYS A 78 0.902 8.568 10.491 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.894 10.434 12.656 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.215 9.950 12.524 1.00 0.57 H new ATOM 0 HG2 LYS A 78 0.969 8.354 14.004 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.220 7.500 12.494 1.00 0.75 H new ATOM 0 HD2 LYS A 78 3.536 7.752 12.564 1.00 1.12 H new ATOM 0 HD3 LYS A 78 3.461 9.222 13.515 1.00 1.12 H new ATOM 0 HE2 LYS A 78 4.327 7.339 14.855 1.00 1.69 H new ATOM 0 HE3 LYS A 78 2.824 7.949 15.519 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 2.963 5.499 15.411 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 1.629 6.128 14.570 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 2.993 5.590 13.715 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.373 10.413 9.416 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.068 11.450 8.668 1.00 0.31 C ATOM 1208 C PHE A 79 -2.516 11.054 8.431 1.00 0.28 C ATOM 1209 O PHE A 79 -2.939 9.963 8.805 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.369 11.675 7.323 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.229 10.417 6.512 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.836 9.565 6.732 1.00 1.17 C ATOM 1213 CD2 PHE A 79 -1.165 10.078 5.547 1.00 1.07 C ATOM 1214 CE1 PHE A 79 0.972 8.401 6.014 1.00 1.16 C ATOM 1215 CE2 PHE A 79 -1.033 8.910 4.816 1.00 1.09 C ATOM 1216 CZ PHE A 79 0.036 8.067 5.051 1.00 0.26 C ATOM 0 H PHE A 79 -0.825 9.499 9.392 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.047 12.373 9.248 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.931 12.410 6.747 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.620 12.097 7.501 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.573 9.818 7.480 1.00 1.17 H new ATOM 0 HD2 PHE A 79 -2.005 10.731 5.364 1.00 1.07 H new ATOM 0 HE1 PHE A 79 1.810 7.746 6.202 1.00 1.16 H new ATOM 0 HE2 PHE A 79 -1.765 8.658 4.063 1.00 1.09 H new ATOM 0 HZ PHE A 79 0.141 7.152 4.486 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.272 11.950 7.821 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.669 11.696 7.507 1.00 0.33 C ATOM 1228 C LYS A 80 -4.921 12.076 6.053 1.00 0.27 C ATOM 1229 O LYS A 80 -4.379 13.071 5.564 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.602 12.501 8.421 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.074 12.731 9.831 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.048 11.457 10.664 1.00 0.81 C ATOM 1233 CE LYS A 80 -4.626 11.747 12.097 1.00 1.64 C ATOM 1234 NZ LYS A 80 -3.616 10.778 12.588 1.00 2.55 N ATOM 0 H LYS A 80 -2.938 12.869 7.530 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.878 10.638 7.666 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.795 13.469 7.958 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.559 11.983 8.487 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -4.067 13.144 9.774 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.696 13.474 10.331 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -6.035 10.995 10.659 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.359 10.741 10.217 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -4.219 12.756 12.157 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -5.502 11.717 12.745 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -3.843 10.505 13.566 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -3.623 9.933 11.982 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -2.673 11.216 12.561 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.729 11.292 5.366 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.027 11.548 3.967 1.00 0.20 C ATOM 1250 C ALA A 81 -7.412 11.030 3.609 1.00 0.19 C ATOM 1251 O ALA A 81 -7.994 10.235 4.349 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.961 10.915 3.081 1.00 0.21 C ATOM 0 H ALA A 81 -6.193 10.470 5.753 1.00 0.24 H new ATOM 0 HA ALA A 81 -6.020 12.625 3.798 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.193 11.112 2.035 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.987 11.341 3.323 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.939 9.839 3.251 1.00 0.21 H new ATOM 1258 N THR A 82 -7.946 11.506 2.495 1.00 0.19 N ATOM 1259 CA THR A 82 -9.261 11.087 2.040 1.00 0.19 C ATOM 1260 C THR A 82 -9.134 10.065 0.911 1.00 0.20 C ATOM 1261 O THR A 82 -8.297 10.210 0.013 1.00 0.28 O ATOM 1262 CB THR A 82 -10.101 12.288 1.559 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.668 13.490 2.214 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.582 12.056 1.839 1.00 0.25 C ATOM 0 H THR A 82 -7.487 12.185 1.888 1.00 0.19 H new ATOM 0 HA THR A 82 -9.771 10.629 2.888 1.00 0.19 H new ATOM 0 HB THR A 82 -9.960 12.394 0.483 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.207 14.246 1.900 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.157 12.915 1.492 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.915 11.160 1.315 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.734 11.927 2.911 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.962 9.033 0.958 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.932 7.985 -0.049 1.00 0.15 C ATOM 1274 C VAL A 83 -11.256 7.940 -0.802 1.00 0.16 C ATOM 1275 O VAL A 83 -12.302 8.209 -0.223 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.667 6.608 0.593 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.487 5.546 -0.471 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.450 6.663 1.500 1.00 0.19 C ATOM 0 H VAL A 83 -10.665 8.899 1.685 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.122 8.212 -0.743 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.534 6.344 1.198 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.301 4.583 0.004 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.390 5.483 -1.078 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.640 5.807 -1.106 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.281 5.681 1.942 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.575 6.954 0.918 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.619 7.393 2.291 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.211 7.622 -2.087 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.422 7.545 -2.895 1.00 0.19 C ATOM 1290 C LYS A 84 -12.396 6.282 -3.757 1.00 0.19 C ATOM 1291 O LYS A 84 -11.432 5.519 -3.717 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.557 8.791 -3.768 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.333 9.055 -4.620 1.00 0.26 C ATOM 1294 CD LYS A 84 -10.996 10.532 -4.702 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.552 10.734 -5.132 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.273 12.145 -5.506 1.00 1.14 N ATOM 0 H LYS A 84 -10.351 7.413 -2.594 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.287 7.496 -2.233 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.426 8.681 -4.416 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.742 9.656 -3.131 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.482 8.513 -4.207 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.502 8.667 -5.624 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -11.663 11.023 -5.411 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.160 11.001 -3.732 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -8.887 10.436 -4.321 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.332 10.084 -5.979 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.278 12.238 -5.793 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -9.888 12.423 -6.297 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -9.458 12.763 -4.690 1.00 1.14 H new ATOM 1310 N MET A 85 -13.441 6.065 -4.543 1.00 0.21 N ATOM 1311 CA MET A 85 -13.514 4.880 -5.388 1.00 0.22 C ATOM 1312 C MET A 85 -14.041 5.233 -6.774 1.00 0.28 C ATOM 1313 O MET A 85 -15.183 5.674 -6.916 1.00 0.41 O ATOM 1314 CB MET A 85 -14.421 3.838 -4.740 1.00 0.23 C ATOM 1315 CG MET A 85 -13.744 2.505 -4.489 1.00 0.21 C ATOM 1316 SD MET A 85 -14.863 1.319 -3.724 1.00 0.26 S ATOM 1317 CE MET A 85 -13.694 0.183 -2.989 1.00 0.25 C ATOM 0 H MET A 85 -14.245 6.689 -4.614 1.00 0.21 H new ATOM 0 HA MET A 85 -12.509 4.471 -5.496 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.790 4.231 -3.793 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.289 3.679 -5.379 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.376 2.101 -5.432 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.877 2.653 -3.846 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.226 -0.685 -2.599 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.977 -0.140 -3.744 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.166 0.680 -2.175 1.00 0.25 H new ATOM 1327 N GLU A 86 -13.220 5.029 -7.796 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.615 5.345 -9.161 1.00 0.32 C ATOM 1329 C GLU A 86 -13.538 4.109 -10.048 1.00 0.29 C ATOM 1330 O GLU A 86 -12.452 3.587 -10.296 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.723 6.451 -9.740 1.00 0.48 C ATOM 1332 CG GLU A 86 -12.400 7.569 -8.757 1.00 1.22 C ATOM 1333 CD GLU A 86 -12.006 8.861 -9.446 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -12.902 9.671 -9.756 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -10.797 9.078 -9.681 1.00 2.46 O ATOM 0 H GLU A 86 -12.279 4.647 -7.705 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.647 5.696 -9.136 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.790 6.006 -10.087 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -13.215 6.880 -10.613 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -13.267 7.751 -8.123 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -11.589 7.249 -8.103 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.692 3.638 -10.502 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.738 2.473 -11.369 1.00 0.46 C ATOM 1344 C GLY A 87 -14.291 1.202 -10.672 1.00 0.38 C ATOM 1345 O GLY A 87 -13.667 0.336 -11.288 1.00 0.36 O ATOM 0 H GLY A 87 -15.602 4.043 -10.285 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.755 2.341 -11.738 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.104 2.647 -12.238 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.614 1.089 -9.388 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.235 -0.089 -8.629 1.00 0.33 C ATOM 1351 C GLY A 88 -12.759 -0.099 -8.277 1.00 0.27 C ATOM 1352 O GLY A 88 -12.163 -1.155 -8.096 1.00 0.32 O ATOM 0 H GLY A 88 -15.131 1.792 -8.859 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.825 -0.133 -7.713 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.474 -0.982 -9.206 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.173 1.086 -8.184 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.759 1.225 -7.856 1.00 0.19 C ATOM 1358 C LYS A 89 -10.593 2.186 -6.693 1.00 0.17 C ATOM 1359 O LYS A 89 -11.132 3.296 -6.722 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.969 1.753 -9.056 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.300 1.077 -10.372 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.597 1.762 -11.531 1.00 0.52 C ATOM 1363 CE LYS A 89 -10.064 1.228 -12.873 1.00 1.06 C ATOM 1364 NZ LYS A 89 -9.742 -0.212 -13.039 1.00 1.76 N ATOM 0 H LYS A 89 -12.658 1.971 -8.332 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.375 0.241 -7.586 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.154 2.823 -9.155 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.904 1.631 -8.857 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.003 0.029 -10.331 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.378 1.097 -10.534 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -9.781 2.835 -11.484 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -8.520 1.619 -11.438 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -11.140 1.372 -12.966 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.595 1.799 -13.674 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -10.092 -0.542 -13.961 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -8.712 -0.345 -12.992 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -10.196 -0.759 -12.280 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.877 1.761 -5.665 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.647 2.614 -4.511 1.00 0.16 C ATOM 1380 C ILE A 90 -8.493 3.565 -4.790 1.00 0.17 C ATOM 1381 O ILE A 90 -7.341 3.146 -4.877 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.333 1.810 -3.233 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.245 0.581 -3.121 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.491 2.704 -2.020 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.464 0.095 -1.696 1.00 0.20 C ATOM 0 H ILE A 90 -9.448 0.838 -5.606 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.570 3.168 -4.340 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.303 1.456 -3.284 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.212 0.818 -3.565 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.816 -0.231 -3.708 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.269 2.135 -1.117 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.803 3.546 -2.097 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.515 3.075 -1.972 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.119 -0.776 -1.705 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.506 -0.177 -1.253 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.924 0.889 -1.107 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.810 4.837 -4.952 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.799 5.843 -5.227 1.00 0.17 C ATOM 1399 C VAL A 91 -7.684 6.830 -4.063 1.00 0.16 C ATOM 1400 O VAL A 91 -8.686 7.362 -3.572 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.106 6.591 -6.548 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.537 7.082 -6.577 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.134 7.744 -6.769 1.00 0.25 C ATOM 0 H VAL A 91 -9.762 5.199 -4.898 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.842 5.334 -5.340 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.976 5.881 -7.365 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.724 7.603 -7.516 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.215 6.233 -6.492 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.704 7.764 -5.744 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.375 8.249 -7.704 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.214 8.451 -5.943 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.116 7.357 -6.818 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.458 7.047 -3.609 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.202 7.965 -2.513 1.00 0.19 C ATOM 1415 C ALA A 92 -5.557 9.240 -3.038 1.00 0.20 C ATOM 1416 O ALA A 92 -4.744 9.195 -3.963 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.328 7.299 -1.462 1.00 0.22 C ATOM 0 H ALA A 92 -5.624 6.597 -3.985 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.148 8.233 -2.043 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.144 7.998 -0.646 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.834 6.415 -1.075 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.379 7.006 -1.911 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.930 10.370 -2.458 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.405 11.662 -2.886 1.00 0.26 C ATOM 1425 C ASP A 93 -4.239 12.109 -2.016 1.00 0.22 C ATOM 1426 O ASP A 93 -4.374 12.266 -0.801 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.520 12.708 -2.869 1.00 0.37 C ATOM 1428 CG ASP A 93 -6.025 14.121 -3.115 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.451 14.382 -4.190 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -6.217 14.980 -2.234 1.00 1.19 O ATOM 0 H ASP A 93 -6.596 10.421 -1.687 1.00 0.22 H new ATOM 0 HA ASP A 93 -5.030 11.555 -3.904 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.259 12.453 -3.628 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -7.028 12.671 -1.905 1.00 0.37 H new ATOM 1435 N PHE A 94 -3.101 12.326 -2.660 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.886 12.743 -1.976 1.00 0.21 C ATOM 1437 C PHE A 94 -1.074 13.713 -2.828 1.00 0.24 C ATOM 1438 O PHE A 94 -1.229 13.749 -4.053 1.00 0.26 O ATOM 1439 CB PHE A 94 -1.018 11.521 -1.664 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.545 10.667 -0.558 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.365 11.043 0.758 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.232 9.499 -0.835 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -1.857 10.271 1.783 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.731 8.724 0.191 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.541 9.111 1.500 1.00 0.25 C ATOM 0 H PHE A 94 -2.994 12.218 -3.669 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.182 13.244 -1.054 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.926 10.914 -2.565 1.00 0.21 H new ATOM 0 HB3 PHE A 94 -0.015 11.858 -1.402 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.831 11.954 0.985 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.378 9.192 -1.860 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -1.707 10.574 2.809 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.270 7.815 -0.031 1.00 1.27 H new ATOM 0 HZ PHE A 94 -2.929 8.503 2.304 1.00 0.25 H new ATOM 1455 N PRO A 95 -0.209 14.524 -2.190 1.00 0.26 N ATOM 1456 CA PRO A 95 0.660 15.463 -2.897 1.00 0.29 C ATOM 1457 C PRO A 95 1.894 14.755 -3.450 1.00 0.26 C ATOM 1458 O PRO A 95 2.652 14.143 -2.695 1.00 0.27 O ATOM 1459 CB PRO A 95 1.049 16.466 -1.809 1.00 0.36 C ATOM 1460 CG PRO A 95 0.970 15.712 -0.527 1.00 0.32 C ATOM 1461 CD PRO A 95 -0.034 14.605 -0.725 1.00 0.28 C ATOM 0 HA PRO A 95 0.177 15.928 -3.756 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.054 16.855 -1.975 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.373 17.321 -1.804 1.00 0.36 H new ATOM 0 HG2 PRO A 95 1.945 15.305 -0.259 1.00 0.32 H new ATOM 0 HG3 PRO A 95 0.664 16.368 0.288 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.329 13.662 -0.316 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.976 14.829 -0.224 1.00 0.28 H new ATOM 1469 N ASN A 96 2.066 14.811 -4.773 1.00 0.27 N ATOM 1470 CA ASN A 96 3.196 14.164 -5.449 1.00 0.29 C ATOM 1471 C ASN A 96 3.137 12.647 -5.255 1.00 0.28 C ATOM 1472 O ASN A 96 4.136 11.941 -5.390 1.00 0.37 O ATOM 1473 CB ASN A 96 4.528 14.718 -4.928 1.00 0.35 C ATOM 1474 CG ASN A 96 5.713 14.288 -5.774 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.623 14.212 -7.000 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.830 13.995 -5.126 1.00 1.50 N ATOM 0 H ASN A 96 1.432 15.302 -5.403 1.00 0.27 H new ATOM 0 HA ASN A 96 3.127 14.381 -6.515 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.480 15.807 -4.905 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.679 14.384 -3.902 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.656 13.694 -5.643 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.865 14.071 -4.109 1.00 1.50 H new ATOM 1483 N TYR A 97 1.948 12.152 -4.943 1.00 0.23 N ATOM 1484 CA TYR A 97 1.740 10.730 -4.717 1.00 0.21 C ATOM 1485 C TYR A 97 0.353 10.313 -5.195 1.00 0.21 C ATOM 1486 O TYR A 97 -0.652 10.925 -4.843 1.00 0.24 O ATOM 1487 CB TYR A 97 1.906 10.414 -3.231 1.00 0.22 C ATOM 1488 CG TYR A 97 2.379 9.010 -2.943 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.510 7.928 -3.012 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.700 8.766 -2.596 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.946 6.644 -2.740 1.00 1.31 C ATOM 1492 CE2 TYR A 97 4.143 7.486 -2.321 1.00 1.14 C ATOM 1493 CZ TYR A 97 3.262 6.430 -2.397 1.00 0.32 C ATOM 1494 OH TYR A 97 3.698 5.157 -2.118 1.00 0.38 O ATOM 0 H TYR A 97 1.107 12.720 -4.840 1.00 0.23 H new ATOM 0 HA TYR A 97 2.482 10.169 -5.285 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.615 11.120 -2.799 1.00 0.22 H new ATOM 0 HB3 TYR A 97 0.952 10.573 -2.729 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.477 8.092 -3.282 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.395 9.591 -2.540 1.00 1.14 H new ATOM 0 HE1 TYR A 97 1.258 5.814 -2.796 1.00 1.31 H new ATOM 0 HE2 TYR A 97 5.174 7.315 -2.048 1.00 1.14 H new ATOM 0 HH TYR A 97 2.952 4.528 -2.208 1.00 0.38 H new ATOM 1504 N HIS A 98 0.313 9.273 -6.003 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.933 8.756 -6.546 1.00 0.22 C ATOM 1506 C HIS A 98 -1.035 7.269 -6.244 1.00 0.21 C ATOM 1507 O HIS A 98 -0.363 6.462 -6.879 1.00 0.24 O ATOM 1508 CB HIS A 98 -0.981 8.996 -8.057 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.338 8.833 -8.668 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.260 9.856 -8.746 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -2.926 7.757 -9.243 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.350 9.417 -9.349 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.174 8.147 -9.662 1.00 1.09 N ATOM 0 H HIS A 98 1.142 8.760 -6.304 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.775 9.273 -6.085 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.622 10.004 -8.264 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.292 8.306 -8.544 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.493 6.774 -9.352 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.237 10.000 -9.552 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -4.853 7.553 -10.137 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.859 6.914 -5.270 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.014 5.517 -4.881 1.00 0.22 C ATOM 1524 C HIS A 99 -3.383 4.978 -5.295 1.00 0.21 C ATOM 1525 O HIS A 99 -4.417 5.481 -4.852 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.830 5.368 -3.366 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.539 3.962 -2.918 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.276 3.583 -2.534 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.372 2.897 -2.803 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.365 2.307 -2.193 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.614 1.853 -2.340 1.00 0.49 N ATOM 0 H HIS A 99 -2.429 7.569 -4.735 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.249 4.936 -5.396 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.015 6.016 -3.044 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.733 5.718 -2.865 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.427 2.876 -3.032 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.464 1.710 -1.842 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.941 0.907 -2.144 1.00 0.49 H new ATOM 1539 N THR A 100 -3.375 3.972 -6.158 1.00 0.22 N ATOM 1540 CA THR A 100 -4.602 3.340 -6.622 1.00 0.22 C ATOM 1541 C THR A 100 -4.525 1.829 -6.443 1.00 0.23 C ATOM 1542 O THR A 100 -3.519 1.210 -6.796 1.00 0.31 O ATOM 1543 CB THR A 100 -4.870 3.644 -8.110 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.698 3.382 -8.895 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.279 5.088 -8.299 1.00 0.24 C ATOM 0 H THR A 100 -2.524 3.573 -6.554 1.00 0.22 H new ATOM 0 HA THR A 100 -5.416 3.748 -6.023 1.00 0.22 H new ATOM 0 HB THR A 100 -5.682 2.996 -8.440 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.885 3.578 -9.837 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.463 5.279 -9.356 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.188 5.286 -7.731 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.481 5.741 -7.946 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.584 1.249 -5.892 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.650 -0.186 -5.672 1.00 0.23 C ATOM 1555 C ALA A 101 -6.838 -0.781 -6.414 1.00 0.22 C ATOM 1556 O ALA A 101 -7.944 -0.240 -6.360 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.752 -0.497 -4.185 1.00 0.26 C ATOM 0 H ALA A 101 -6.414 1.758 -5.588 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.734 -0.634 -6.058 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.800 -1.576 -4.042 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.877 -0.101 -3.670 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.652 -0.036 -3.778 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.609 -1.885 -7.109 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.665 -2.543 -7.864 1.00 0.23 C ATOM 1565 C GLU A 102 -7.353 -4.018 -8.060 1.00 0.24 C ATOM 1566 O GLU A 102 -6.250 -4.478 -7.753 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.854 -1.880 -9.226 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.606 -1.894 -10.090 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.600 -0.764 -11.100 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -7.345 -0.853 -12.102 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -5.862 0.217 -10.897 1.00 1.18 O ATOM 0 H GLU A 102 -5.700 -2.345 -7.166 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.587 -2.447 -7.290 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.659 -2.386 -9.758 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -8.170 -0.848 -9.077 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.724 -1.816 -9.454 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.538 -2.848 -10.613 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.330 -4.751 -8.576 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.177 -6.174 -8.817 1.00 0.29 C ATOM 1580 C ILE A 103 -7.943 -6.440 -10.300 1.00 0.31 C ATOM 1581 O ILE A 103 -8.790 -6.121 -11.138 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.420 -6.964 -8.352 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.872 -6.497 -6.963 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.126 -8.458 -8.343 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.882 -6.810 -5.864 1.00 0.37 C ATOM 0 H ILE A 103 -9.243 -4.377 -8.837 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.315 -6.510 -8.241 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.230 -6.774 -9.056 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -10.044 -5.421 -6.989 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.826 -6.966 -6.724 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.012 -9.001 -8.013 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -8.855 -8.782 -9.348 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.300 -8.662 -7.661 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -9.270 -6.450 -4.911 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.728 -7.888 -5.809 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.933 -6.318 -6.078 1.00 0.37 H new ATOM 1597 N SER A 104 -6.802 -7.017 -10.622 1.00 0.34 N ATOM 1598 CA SER A 104 -6.471 -7.323 -11.997 1.00 0.38 C ATOM 1599 C SER A 104 -6.163 -8.807 -12.140 1.00 0.48 C ATOM 1600 O SER A 104 -5.153 -9.293 -11.628 1.00 0.88 O ATOM 1601 CB SER A 104 -5.283 -6.479 -12.461 1.00 0.55 C ATOM 1602 OG SER A 104 -5.166 -6.489 -13.877 1.00 1.37 O ATOM 0 H SER A 104 -6.087 -7.284 -9.946 1.00 0.34 H new ATOM 0 HA SER A 104 -7.327 -7.082 -12.628 1.00 0.38 H new ATOM 0 HB2 SER A 104 -5.403 -5.454 -12.111 1.00 0.55 H new ATOM 0 HB3 SER A 104 -4.365 -6.862 -12.015 1.00 0.55 H new ATOM 0 HG SER A 104 -4.400 -5.940 -14.146 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.056 -9.527 -12.812 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.872 -10.954 -13.009 1.00 0.64 C ATOM 1610 C GLY A 105 -6.996 -11.731 -11.715 1.00 0.63 C ATOM 1611 O GLY A 105 -6.368 -12.774 -11.545 1.00 0.96 O ATOM 0 H GLY A 105 -7.907 -9.146 -13.225 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.611 -11.319 -13.722 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.890 -11.135 -13.447 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.816 -11.224 -10.804 1.00 0.49 N ATOM 1616 CA GLY A 106 -8.004 -11.876 -9.522 1.00 0.50 C ATOM 1617 C GLY A 106 -6.870 -11.581 -8.553 1.00 0.44 C ATOM 1618 O GLY A 106 -6.747 -12.232 -7.513 1.00 0.48 O ATOM 0 H GLY A 106 -8.357 -10.369 -10.931 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.947 -11.548 -9.085 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -8.080 -12.953 -9.672 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.051 -10.592 -8.893 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.916 -10.198 -8.067 1.00 0.35 C ATOM 1624 C LYS A 107 -4.998 -8.723 -7.713 1.00 0.32 C ATOM 1625 O LYS A 107 -5.586 -7.929 -8.446 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.605 -10.483 -8.805 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.959 -11.801 -8.402 1.00 0.38 C ATOM 1628 CD LYS A 107 -1.998 -12.312 -9.463 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.507 -13.713 -9.133 1.00 0.75 C ATOM 1630 NZ LYS A 107 -0.198 -14.020 -9.770 1.00 1.22 N ATOM 0 H LYS A 107 -6.155 -10.042 -9.746 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.943 -10.780 -7.145 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.796 -10.493 -9.878 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.905 -9.670 -8.614 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.424 -11.670 -7.461 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.735 -12.546 -8.226 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.494 -12.317 -10.434 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.147 -11.635 -9.543 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -1.415 -13.818 -8.052 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -2.248 -14.442 -9.462 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.354 -14.590 -10.626 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 0.279 -13.133 -10.028 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 0.397 -14.552 -9.103 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.400 -8.362 -6.596 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.391 -6.983 -6.135 1.00 0.28 C ATOM 1646 C LEU A 108 -3.129 -6.302 -6.627 1.00 0.27 C ATOM 1647 O LEU A 108 -2.021 -6.732 -6.310 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.451 -6.940 -4.603 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.863 -5.608 -3.952 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.783 -4.551 -4.101 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -6.183 -5.104 -4.513 1.00 0.76 C ATOM 0 H LEU A 108 -3.908 -9.011 -5.982 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.262 -6.461 -6.531 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.149 -7.708 -4.271 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.468 -7.214 -4.219 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.995 -5.802 -2.888 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -4.112 -3.625 -3.628 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.867 -4.897 -3.622 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -3.594 -4.371 -5.159 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -6.446 -4.162 -4.033 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -6.086 -4.949 -5.588 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.964 -5.840 -4.321 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.299 -5.260 -7.410 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.168 -4.524 -7.920 1.00 0.29 C ATOM 1665 C VAL A 109 -2.299 -3.053 -7.544 1.00 0.29 C ATOM 1666 O VAL A 109 -3.253 -2.382 -7.928 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.009 -4.696 -9.451 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.302 -4.367 -10.184 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.854 -3.848 -9.966 1.00 0.32 C ATOM 0 H VAL A 109 -4.208 -4.905 -7.706 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.265 -4.929 -7.463 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.780 -5.743 -9.651 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.156 -4.498 -11.256 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.094 -5.033 -9.842 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.583 -3.334 -9.980 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.757 -3.981 -11.043 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.047 -2.798 -9.746 1.00 0.32 H new ATOM 0 HG23 VAL A 109 0.070 -4.157 -9.478 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.366 -2.577 -6.744 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.380 -1.194 -6.316 1.00 0.30 C ATOM 1681 C GLU A 110 -0.365 -0.390 -7.100 1.00 0.28 C ATOM 1682 O GLU A 110 0.771 -0.830 -7.303 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.085 -1.081 -4.825 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.226 -1.548 -3.945 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.796 -1.775 -2.514 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.363 -2.903 -2.197 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -1.875 -0.829 -1.704 1.00 1.45 O ATOM 0 H GLU A 110 -0.589 -3.128 -6.378 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.377 -0.795 -6.504 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.195 -1.667 -4.594 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.854 -0.043 -4.586 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.025 -0.807 -3.968 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.637 -2.473 -4.349 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.785 0.770 -7.557 1.00 0.26 N ATOM 1695 CA ILE A 111 0.083 1.653 -8.305 1.00 0.24 C ATOM 1696 C ILE A 111 0.305 2.929 -7.511 1.00 0.25 C ATOM 1697 O ILE A 111 -0.652 3.620 -7.160 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.495 1.996 -9.695 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.752 0.721 -10.507 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.459 2.914 -10.445 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.216 0.361 -10.643 1.00 0.37 C ATOM 0 H ILE A 111 -1.731 1.126 -7.422 1.00 0.26 H new ATOM 0 HA ILE A 111 1.030 1.137 -8.464 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.446 2.510 -9.556 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.325 0.844 -11.502 1.00 0.29 H new ATOM 0 HG13 ILE A 111 -0.227 -0.110 -10.036 1.00 0.29 H new ATOM 0 HG21 ILE A 111 0.042 3.150 -11.424 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.599 3.835 -9.879 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.420 2.416 -10.570 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.313 -0.552 -11.230 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.645 0.203 -9.654 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.745 1.172 -11.143 1.00 0.37 H new ATOM 1713 N SER A 112 1.559 3.220 -7.220 1.00 0.23 N ATOM 1714 CA SER A 112 1.920 4.399 -6.455 1.00 0.24 C ATOM 1715 C SER A 112 2.874 5.274 -7.253 1.00 0.22 C ATOM 1716 O SER A 112 4.053 4.947 -7.407 1.00 0.25 O ATOM 1717 CB SER A 112 2.564 3.984 -5.131 1.00 0.28 C ATOM 1718 OG SER A 112 1.925 2.840 -4.588 1.00 0.37 O ATOM 0 H SER A 112 2.354 2.648 -7.506 1.00 0.23 H new ATOM 0 HA SER A 112 1.018 4.973 -6.245 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.622 3.773 -5.288 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.505 4.809 -4.420 1.00 0.28 H new ATOM 0 HG SER A 112 1.149 3.119 -4.058 1.00 0.37 H new ATOM 1724 N THR A 113 2.355 6.367 -7.778 1.00 0.22 N ATOM 1725 CA THR A 113 3.153 7.294 -8.557 1.00 0.22 C ATOM 1726 C THR A 113 3.728 8.395 -7.673 1.00 0.23 C ATOM 1727 O THR A 113 3.039 8.914 -6.791 1.00 0.26 O ATOM 1728 CB THR A 113 2.307 7.939 -9.666 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.167 7.115 -9.958 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.129 8.134 -10.925 1.00 0.27 C ATOM 0 H THR A 113 1.376 6.636 -7.678 1.00 0.22 H new ATOM 0 HA THR A 113 3.970 6.727 -9.003 1.00 0.22 H new ATOM 0 HB THR A 113 1.970 8.914 -9.314 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.495 7.644 -10.436 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.510 8.592 -11.696 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.978 8.783 -10.709 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.491 7.168 -11.276 1.00 0.27 H new ATOM 1738 N SER A 114 4.989 8.735 -7.891 1.00 0.25 N ATOM 1739 CA SER A 114 5.626 9.781 -7.125 1.00 0.30 C ATOM 1740 C SER A 114 6.766 10.397 -7.917 1.00 0.29 C ATOM 1741 O SER A 114 7.728 9.712 -8.270 1.00 0.30 O ATOM 1742 CB SER A 114 6.149 9.244 -5.793 1.00 0.38 C ATOM 1743 OG SER A 114 6.464 10.309 -4.913 1.00 1.43 O ATOM 0 H SER A 114 5.587 8.299 -8.593 1.00 0.25 H new ATOM 0 HA SER A 114 4.880 10.548 -6.919 1.00 0.30 H new ATOM 0 HB2 SER A 114 5.399 8.598 -5.336 1.00 0.38 H new ATOM 0 HB3 SER A 114 7.035 8.633 -5.964 1.00 0.38 H new ATOM 0 HG SER A 114 5.762 10.991 -4.960 1.00 1.43 H new ATOM 1749 N SER A 115 6.634 11.689 -8.210 1.00 0.37 N ATOM 1750 CA SER A 115 7.643 12.441 -8.946 1.00 0.47 C ATOM 1751 C SER A 115 7.928 11.827 -10.317 1.00 0.47 C ATOM 1752 O SER A 115 9.054 11.883 -10.812 1.00 0.57 O ATOM 1753 CB SER A 115 8.931 12.529 -8.121 1.00 0.54 C ATOM 1754 OG SER A 115 8.649 12.725 -6.744 1.00 0.63 O ATOM 0 H SER A 115 5.821 12.244 -7.942 1.00 0.37 H new ATOM 0 HA SER A 115 7.252 13.444 -9.117 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.511 11.615 -8.249 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.546 13.350 -8.489 1.00 0.54 H new ATOM 0 HG SER A 115 9.319 13.326 -6.355 1.00 0.63 H new ATOM 1760 N GLY A 116 6.910 11.227 -10.921 1.00 0.42 N ATOM 1761 CA GLY A 116 7.082 10.630 -12.233 1.00 0.46 C ATOM 1762 C GLY A 116 7.377 9.145 -12.188 1.00 0.40 C ATOM 1763 O GLY A 116 7.153 8.437 -13.173 1.00 0.46 O ATOM 0 H GLY A 116 5.972 11.143 -10.529 1.00 0.42 H new ATOM 0 HA2 GLY A 116 6.178 10.795 -12.820 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.895 11.138 -12.751 1.00 0.46 H new ATOM 1767 N VAL A 117 7.885 8.661 -11.063 1.00 0.33 N ATOM 1768 CA VAL A 117 8.199 7.245 -10.927 1.00 0.29 C ATOM 1769 C VAL A 117 6.957 6.462 -10.524 1.00 0.28 C ATOM 1770 O VAL A 117 6.326 6.754 -9.510 1.00 0.29 O ATOM 1771 CB VAL A 117 9.328 6.995 -9.903 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.558 5.502 -9.693 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.611 7.667 -10.362 1.00 0.53 C ATOM 0 H VAL A 117 8.087 9.223 -10.236 1.00 0.33 H new ATOM 0 HA VAL A 117 8.549 6.900 -11.900 1.00 0.29 H new ATOM 0 HB VAL A 117 9.023 7.427 -8.950 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.358 5.356 -8.967 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.643 5.042 -9.322 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.838 5.040 -10.640 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.399 7.483 -9.632 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.909 7.260 -11.328 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.446 8.740 -10.456 1.00 0.53 H new ATOM 1783 N VAL A 118 6.595 5.488 -11.346 1.00 0.27 N ATOM 1784 CA VAL A 118 5.428 4.660 -11.087 1.00 0.27 C ATOM 1785 C VAL A 118 5.812 3.343 -10.433 1.00 0.25 C ATOM 1786 O VAL A 118 6.441 2.487 -11.060 1.00 0.29 O ATOM 1787 CB VAL A 118 4.654 4.362 -12.382 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.400 3.549 -12.093 1.00 0.97 C ATOM 1789 CG2 VAL A 118 4.300 5.650 -13.091 1.00 0.86 C ATOM 0 H VAL A 118 7.096 5.251 -12.202 1.00 0.27 H new ATOM 0 HA VAL A 118 4.792 5.226 -10.407 1.00 0.27 H new ATOM 0 HB VAL A 118 5.296 3.770 -13.034 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.871 3.352 -13.026 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.679 2.604 -11.627 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.751 4.108 -11.419 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.752 5.423 -14.006 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.679 6.265 -12.440 1.00 0.86 H new ATOM 0 HG23 VAL A 118 5.213 6.191 -13.339 1.00 0.86 H new ATOM 1799 N TYR A 119 5.445 3.198 -9.172 1.00 0.22 N ATOM 1800 CA TYR A 119 5.717 1.975 -8.430 1.00 0.21 C ATOM 1801 C TYR A 119 4.487 1.088 -8.458 1.00 0.22 C ATOM 1802 O TYR A 119 3.374 1.554 -8.240 1.00 0.29 O ATOM 1803 CB TYR A 119 6.105 2.280 -6.979 1.00 0.22 C ATOM 1804 CG TYR A 119 6.166 1.058 -6.085 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.189 0.130 -6.212 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.190 0.828 -5.119 1.00 1.21 C ATOM 1807 CE1 TYR A 119 7.241 -0.993 -5.407 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.236 -0.291 -4.309 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.262 -1.198 -4.458 1.00 0.34 C ATOM 1810 OH TYR A 119 6.309 -2.316 -3.655 1.00 0.43 O ATOM 0 H TYR A 119 4.955 3.915 -8.636 1.00 0.22 H new ATOM 0 HA TYR A 119 6.556 1.463 -8.902 1.00 0.21 H new ATOM 0 HB2 TYR A 119 7.077 2.772 -6.970 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.386 2.986 -6.563 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.959 0.287 -6.953 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.383 1.536 -5.001 1.00 1.21 H new ATOM 0 HE1 TYR A 119 8.044 -1.706 -5.521 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.472 -0.453 -3.563 1.00 1.22 H new ATOM 0 HH TYR A 119 5.546 -2.309 -3.040 1.00 0.43 H new ATOM 1820 N LYS A 120 4.681 -0.182 -8.746 1.00 0.21 N ATOM 1821 CA LYS A 120 3.581 -1.115 -8.803 1.00 0.23 C ATOM 1822 C LYS A 120 3.893 -2.376 -8.011 1.00 0.24 C ATOM 1823 O LYS A 120 5.014 -2.878 -8.043 1.00 0.29 O ATOM 1824 CB LYS A 120 3.292 -1.458 -10.257 1.00 0.28 C ATOM 1825 CG LYS A 120 2.727 -0.289 -11.046 1.00 0.31 C ATOM 1826 CD LYS A 120 3.022 -0.418 -12.528 1.00 0.46 C ATOM 1827 CE LYS A 120 2.196 -1.519 -13.168 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.762 -1.930 -14.476 1.00 1.17 N ATOM 0 H LYS A 120 5.594 -0.591 -8.945 1.00 0.21 H new ATOM 0 HA LYS A 120 2.701 -0.653 -8.355 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.211 -1.799 -10.733 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.587 -2.288 -10.295 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.649 -0.234 -10.893 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.151 0.642 -10.670 1.00 0.31 H new ATOM 0 HD2 LYS A 120 2.814 0.530 -13.025 1.00 0.46 H new ATOM 0 HD3 LYS A 120 4.082 -0.627 -12.672 1.00 0.46 H new ATOM 0 HE2 LYS A 120 2.155 -2.380 -12.501 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.171 -1.174 -13.306 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.247 -2.761 -14.831 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 2.669 -1.148 -15.156 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.767 -2.170 -14.359 1.00 1.17 H new ATOM 1842 N ARG A 121 2.903 -2.871 -7.284 1.00 0.25 N ATOM 1843 CA ARG A 121 3.063 -4.083 -6.497 1.00 0.28 C ATOM 1844 C ARG A 121 1.848 -4.990 -6.676 1.00 0.28 C ATOM 1845 O ARG A 121 0.708 -4.551 -6.541 1.00 0.34 O ATOM 1846 CB ARG A 121 3.273 -3.756 -5.010 1.00 0.36 C ATOM 1847 CG ARG A 121 2.249 -2.787 -4.435 1.00 0.59 C ATOM 1848 CD ARG A 121 1.495 -3.392 -3.256 1.00 0.84 C ATOM 1849 NE ARG A 121 2.349 -3.583 -2.077 1.00 1.20 N ATOM 1850 CZ ARG A 121 1.916 -3.477 -0.813 1.00 1.59 C ATOM 1851 NH1 ARG A 121 0.648 -3.187 -0.557 1.00 1.88 N ATOM 1852 NH2 ARG A 121 2.753 -3.669 0.201 1.00 2.48 N ATOM 0 H ARG A 121 1.976 -2.449 -7.223 1.00 0.25 H new ATOM 0 HA ARG A 121 3.951 -4.605 -6.854 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.241 -4.683 -4.437 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.270 -3.334 -4.879 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.752 -1.875 -4.115 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.540 -2.504 -5.213 1.00 0.59 H new ATOM 0 HD2 ARG A 121 0.659 -2.744 -2.993 1.00 0.84 H new ATOM 0 HD3 ARG A 121 1.073 -4.352 -3.554 1.00 0.84 H new ATOM 0 HE ARG A 121 3.332 -3.810 -2.229 1.00 1.20 H new ATOM 0 HH11 ARG A 121 -0.007 -3.042 -1.325 1.00 1.88 H new ATOM 0 HH12 ARG A 121 0.328 -3.108 0.408 1.00 1.88 H new ATOM 0 HH21 ARG A 121 3.730 -3.898 0.019 1.00 2.48 H new ATOM 0 HH22 ARG A 121 2.418 -3.587 1.161 1.00 2.48 H new ATOM 1866 N THR A 122 2.103 -6.246 -6.998 1.00 0.27 N ATOM 1867 CA THR A 122 1.048 -7.221 -7.204 1.00 0.27 C ATOM 1868 C THR A 122 1.036 -8.236 -6.069 1.00 0.25 C ATOM 1869 O THR A 122 2.080 -8.757 -5.677 1.00 0.29 O ATOM 1870 CB THR A 122 1.241 -7.955 -8.545 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.482 -7.002 -9.593 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.023 -8.793 -8.883 1.00 0.34 C ATOM 0 H THR A 122 3.045 -6.617 -7.124 1.00 0.27 H new ATOM 0 HA THR A 122 0.096 -6.690 -7.223 1.00 0.27 H new ATOM 0 HB THR A 122 2.101 -8.619 -8.452 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.606 -7.474 -10.443 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.183 -9.301 -9.834 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.139 -9.533 -8.099 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.852 -8.148 -8.960 1.00 0.34 H new ATOM 1880 N SER A 123 -0.142 -8.494 -5.534 1.00 0.24 N ATOM 1881 CA SER A 123 -0.294 -9.444 -4.452 1.00 0.23 C ATOM 1882 C SER A 123 -1.394 -10.443 -4.788 1.00 0.23 C ATOM 1883 O SER A 123 -2.418 -10.079 -5.375 1.00 0.25 O ATOM 1884 CB SER A 123 -0.626 -8.701 -3.162 1.00 0.25 C ATOM 1885 OG SER A 123 0.165 -7.528 -3.027 1.00 0.38 O ATOM 0 H SER A 123 -1.012 -8.055 -5.835 1.00 0.24 H new ATOM 0 HA SER A 123 0.640 -9.989 -4.315 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.683 -8.433 -3.155 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.458 -9.357 -2.308 1.00 0.25 H new ATOM 0 HG SER A 123 -0.069 -7.070 -2.193 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.179 -11.707 -4.441 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.175 -12.738 -4.703 1.00 0.25 C ATOM 1893 C LYS A 124 -3.121 -12.862 -3.516 1.00 0.22 C ATOM 1894 O LYS A 124 -2.762 -12.508 -2.392 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.514 -14.082 -5.007 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.587 -14.579 -3.914 1.00 0.31 C ATOM 1897 CD LYS A 124 0.306 -15.691 -4.432 1.00 0.43 C ATOM 1898 CE LYS A 124 1.455 -15.976 -3.484 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.619 -16.561 -4.202 1.00 1.45 N ATOM 0 H LYS A 124 -0.331 -12.040 -3.982 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.748 -12.445 -5.583 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.292 -14.827 -5.175 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.949 -13.995 -5.935 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.025 -13.755 -3.547 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.174 -14.941 -3.069 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.284 -16.597 -4.571 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.701 -15.415 -5.410 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.757 -15.053 -2.989 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.124 -16.662 -2.705 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.442 -16.587 -3.566 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.388 -17.527 -4.509 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.843 -15.978 -5.034 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.321 -13.372 -3.765 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.319 -13.496 -2.720 1.00 0.23 C ATOM 1915 C LYS A 125 -5.283 -14.870 -2.079 1.00 0.25 C ATOM 1916 O LYS A 125 -5.202 -15.894 -2.759 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.718 -13.217 -3.279 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.616 -12.450 -2.317 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.184 -13.338 -1.226 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.581 -13.825 -1.575 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.442 -12.726 -2.093 1.00 1.45 N ATOM 0 H LYS A 125 -4.622 -13.705 -4.681 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.086 -12.757 -1.953 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.624 -12.650 -4.205 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.195 -14.164 -3.532 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.048 -11.638 -1.862 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.435 -11.994 -2.874 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.527 -14.194 -1.073 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.214 -12.787 -0.286 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.513 -14.615 -2.323 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.044 -14.262 -0.690 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.440 -12.950 -1.908 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.193 -11.836 -1.616 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.295 -12.623 -3.117 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.325 -14.868 -0.758 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.331 -16.086 0.020 1.00 0.28 C ATOM 1937 C ILE A 126 -6.254 -15.907 1.218 1.00 0.30 C ATOM 1938 O ILE A 126 -6.675 -14.787 1.518 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.925 -16.483 0.531 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.819 -15.671 -0.149 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.695 -17.964 0.309 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.455 -14.414 0.600 1.00 0.27 C ATOM 0 H ILE A 126 -5.356 -14.017 -0.197 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.679 -16.884 -0.636 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.885 -16.262 1.598 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -1.931 -16.295 -0.251 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.140 -15.405 -1.156 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.704 -18.237 0.671 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.449 -18.535 0.851 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -3.767 -18.188 -0.755 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.666 -13.887 0.064 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.332 -13.771 0.680 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.104 -14.674 1.599 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.600 -17.002 1.874 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.457 -16.949 3.046 1.00 0.44 C ATOM 1956 C ALA A 127 -7.022 -18.013 4.039 1.00 0.67 C ATOM 1957 O ALA A 127 -6.605 -19.107 3.594 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.924 -17.116 2.661 1.00 0.46 C ATOM 0 H ALA A 127 -6.299 -17.941 1.614 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.358 -15.970 3.515 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.543 -17.072 3.557 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.215 -16.316 1.980 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.064 -18.079 2.170 1.00 0.46 H new